| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.8 | Very low | 41.9 | Very low | 250 Ų | 250 | 120.5 Ų | 120.5 | 100% | 1.232 | 80% | 0.8 | S | S | * | * | 0 | 135.1 | 0 | -71.8 | 166.3 | 177.3 | 0 | 0 | 106.9 | |||||
| 2 | A | 41.1 | Very low | 41.7 | Very low | 94 Ų | 94 | 117.1 Ų | 117.1 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | trans | -91.8 | 158.4 | -156.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 3 | N | 43.6 | Very low | 42 | Very low | 166 Ų | 166 | 112.5 Ų | 112.5 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | trans | -57 | 131.6 | 174.4 | -74.7 | -21.5 | 0 | 0 | 0 | 112.2 | ||||
| 4 | V | 44.5 | Very low | 42.2 | Very low | 138 Ų | 138 | 109.7 Ų | 109.7 | 84% | 0.836 | 75% | 0.753 | S | S | * | * | trans | -124.8 | 11.8 | 173.7 | -81.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 5 | A | 41.8 | Very low | 42.2 | Very low | 96 Ų | 96 | 107.8 Ų | 107.8 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -90.2 | -0.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 6 | A | 42.4 | Very low | 42.5 | Very low | 89 Ų | 89 | 106.3 Ų | 106.3 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -98.4 | -4.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 7 | A | 40.1 | Very low | 42.9 | Very low | 85 Ų | 85 | 102.8 Ų | 102.8 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -93.7 | -6.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 8 | T | 38.2 | Very low | 43 | Very low | 124 Ų | 124 | 102.4 Ų | 102.4 | 76% | 0.761 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -103.7 | -7.2 | -167.4 | 36.2 | 0 | 0 | 0 | 0 | 116.2 | ||
| 9 | V | 42.5 | Very low | 43.2 | Very low | 122 Ų | 122 | 105.5 Ų | 105.5 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -88.4 | -24.2 | 178.8 | -68.5 | 0 | 0 | 0 | 0 | 114.1 | A11 | V9-A11 VanDerWaalsContact C-N 3.3Å; V9-A11 PolarHBondContact O-N 3.3Å |
| 10 | A | 44.8 | Very low | 43.9 | Very low | 79 Ų | 79 | 105.3 Ų | 105.3 | 65% | 0.653 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -69.2 | -21.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 11 | A | 40.3 | Very low | 45 | Very low | 82 Ų | 82 | 105.3 Ų | 105.3 | 68% | 0.678 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -78.8 | -19.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | V9 | V9-A11 VanDerWaalsContact C-N 3.3Å; V9-A11 PolarHBondContact O-N 3.3Å |
| 12 | A | 39.2 | Very low | 46 | Very low | 80 Ų | 80 | 98.6 Ų | 98.6 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -82.7 | -32.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 13 | A | 45.7 | Very low | 47.2 | Very low | 57 Ų | 57 | 96.8 Ų | 96.8 | 47% | 0.471 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -70.8 | -34.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | A15 A16 | A13-A15 VanDerWaalsContact C-N 3.26Å; A13-A15 PolarHBondContact O-N 3.29Å; A13-A16 PolarHBondContact O-N 3.01Å |
| 14 | A | 45.2 | Very low | 48.4 | Very low | 74 Ų | 74 | 89.8 Ų | 89.8 | 61% | 0.612 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -62.9 | -27.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A16 | A14-A16 PolarHBondContact O-N 2.95Š|
| 15 | A | 42.6 | Very low | 49.7 | Very low | 81 Ų | 81 | 84.5 Ų | 84.5 | 67% | 0.669 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -74.2 | -22.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A13 | A13-A15 VanDerWaalsContact C-N 3.26Å; A13-A15 PolarHBondContact O-N 3.29Å |
| 16 | A | 46.2 | Very low | 51.4 | Low | 84 Ų | 84 | 86.4 Ų | 86.4 | 69% | 0.694 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -80.8 | -16.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A13 A14 | A13-A16 PolarHBondContact O-N 3.01Å; A14-A16 PolarHBondContact O-N 2.95Å |
| 17 | A | 49.5 | Very low | 53.1 | Low | 47 Ų | 47 | 83 Ų | 83 | 39% | 0.388 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -78.6 | -15.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N19 | A17-N19 PolarHBondContact O-N 3.18Å; A17-N19 VanDerWaalsContact O-N 3.11Å |
| 18 | A | 45.3 | Very low | 55.1 | Low | 95 Ų | 95 | 79.4 Ų | 79.4 | 79% | 0.785 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -74 | -1.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 19 | N | 46.5 | Very low | 57.3 | Low | 161 Ų | 161 | 76.9 Ų | 76.9 | 86% | 0.861 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -135.4 | 27.9 | -176.3 | -158.6 | 35.6 | 0 | 0 | 0 | 113.5 | A17 | A17-N19 PolarHBondContact O-N 3.18Å; A17-N19 VanDerWaalsContact O-N 3.11Å |
| 20 | R | 57.3 | Low | 59.5 | Low | 101 Ų | 101 | 71.9 Ų | 71.9 | 38% | 0.381 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -113.8 | 146.3 | 172 | -89.5 | -179.2 | 163.2 | 170 | -5.8 | 110.4 | T119 | R20-T119 PolarHBondContact NH2-OG1 3.2Š|
| 21 | D | 65.9 | Low | 61.6 | Low | 107 Ų | 107 | 68.1 Ų | 68.1 | 57% | 0.572 | 44% | 0.442 | S | S | * | . | trans | -55.7 | 131.2 | 173.9 | -66 | -89.4 | 0 | 0 | 0 | 111.3 | A23 V24 D25 | D21-A23 PolarHBondContact O-N 3.42Å; D21-A23 VanDerWaalsContact O-N 3.08Å; D21-V24 HydrophobicContact CB-CB 4.44Å; D21-V24 HydrophobicContact CB-CG2 4.07Å; D21-V24 PolarHBondContact O-N 2.77Å; D21-D25 PolarHBondContact O-N 3.43Å | ||
| 22 | P | 64.3 | Low | 64 | Low | 108 Ų | 108 | 66.5 Ų | 66.5 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -64.3 | -20.7 | -173.5 | 24.6 | -34.3 | 0 | 0 | 0 | 113.1 | R26 | P22-R26 VanDerWaalsContact O-CB 3.29Å; P22-R26 WeakPolarHBondContact O-CB 3.49Å; P22-R26 PolarHBondContact O-N 2.81Å; P22-R26 VanDerWaalsContact O-N 3.13Å |
| 23 | A | 66.1 | Low | 66.4 | Low | 57 Ų | 57 | 62.7 Ų | 62.7 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.2 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D21 S27 | D21-A23 PolarHBondContact O-N 3.42Å; D21-A23 VanDerWaalsContact O-N 3.08Å; A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 2.97Å; A23-S27 VanDerWaalsContact O-N 3.15Å; A23-S27 PolarHBondContact O-OG 3.33Å |
| 24 | V | 67.9 | Low | 68.5 | Low | 19 Ų | 19 | 60.2 Ų | 60.2 | 12% | 0.115 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.1 | -47.7 | 177.3 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | D21 R26 S27 L28 L114 | D21-V24 HydrophobicContact CB-CB 4.44Å; D21-V24 HydrophobicContact CB-CG2 4.07Å; D21-V24 PolarHBondContact O-N 2.77Å; V24-R26 PolarHBondContact O-N 3.28Å; V24-S27 CarbonylContact O-C 3.58Å; V24-S27 WeakPolarHBondContact O-CA 3.37Å; V24-S27 WeakPolarHBondContact O-CB 3.43Å; V24-S27 PolarHBondContact O-N 2.83Å; V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 HydrophobicContact CG1-CG 4.25Å; V24-L28 WeakPolarHBondContact O-CB 3.17Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.42Å; V24-L114 HydrophobicContact CG1-CD1 4.27Å; V24-L114 HydrophobicContact CG1-CD2 4.15Å; V24-L114 HydrophobicContact CG1-CG 4.2Å |
| 25 | D | 72.5 | Confident | 70.5 | Confident | 26 Ų | 26 | 60.7 Ų | 60.7 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.7 | -45.4 | 177.4 | 176.9 | -92.8 | 0 | 0 | 0 | 112.6 | D21 S27 L28 R29 | D21-D25 PolarHBondContact O-N 3.43Å; D25-S27 VanDerWaalsContact C-N 3.3Å; D25-S27 PolarHBondContact O-N 3.18Å; D25-L28 WeakPolarHBondContact O-CB 3.49Å; D25-L28 PolarHBondContact O-N 3.22Å; D25-R29 WeakPolarHBondContact O-CG 3.5Å; D25-R29 PolarHBondContact O-N 3.26Å; D25-R29 IonicContact OD1-CZ 3.86Å; D25-R29 IonicContact OD1-NE 2.66Å; D25-R29 PolarHBondContact OD1-NE 3.07Å; D25-R29 IonicContact OD1-NH2 2.66Å; D25-R29 PolarHBondContact OD1-NH2 2.66Å; D25-R29 IonicContact OD2-NE 2.76Å |
| 26 | R | 76.6 | Confident | 72.7 | Confident | 136 Ų | 136 | 57 Ų | 57 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.5 | -38.3 | 173.9 | -169.9 | 176.2 | -179.3 | -134.5 | -9 | 112.4 | P22 V24 R29 S30 E76 | P22-R26 VanDerWaalsContact O-CB 3.29Å; P22-R26 WeakPolarHBondContact O-CB 3.49Å; P22-R26 PolarHBondContact O-N 2.81Å; P22-R26 VanDerWaalsContact O-N 3.13Å; V24-R26 PolarHBondContact O-N 3.28Å; R26-R29 PolarHBondContact O-N 3.28Å; R26-S30 WeakPolarHBondContact O-CB 3.12Å; R26-S30 PolarHBondContact O-N 3.42Å; R26-S30 VanDerWaalsContact O-N 3.14Å; R26-S30 PolarHBondContact O-OG 3.22Å; R26-E76 IonicContact CZ-OE1 3.12Å; R26-E76 IonicContact CZ-OE2 2.66Å; R26-E76 IonicContact NE-OE1 2.85Å; R26-E76 PolarHBondContact NE-OE1 2.94Å; R26-E76 IonicContact NE-OE2 3.25Å; R26-E76 PolarHBondContact NE-OE2 3.41Å; R26-E76 IonicContact NH2-OE1 3.88Å; R26-E76 IonicContact NH2-OE2 3.88Å; R26-E76 PolarHBondContact NH2-OE2 2.76Å |
| 27 | S | 78.7 | Confident | 74.4 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 13% | 0.133 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | A23 V24 D25 S30 N104 | A23-S27 WeakPolarHBondContact O-CB 3.48Å; A23-S27 PolarHBondContact O-N 2.97Å; A23-S27 VanDerWaalsContact O-N 3.15Å; A23-S27 PolarHBondContact O-OG 3.33Å; V24-S27 CarbonylContact O-C 3.58Å; V24-S27 WeakPolarHBondContact O-CA 3.37Å; V24-S27 WeakPolarHBondContact O-CB 3.43Å; V24-S27 PolarHBondContact O-N 2.83Å; D25-S27 VanDerWaalsContact C-N 3.3Å; D25-S27 PolarHBondContact O-N 3.18Å; S27-S30 PolarHBondContact O-N 3.18Å; S27-N104 PolarHBondContact O-ND2 3.47Å |
| 28 | L | 81 | Confident | 76 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 5% | 0.047 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.1 | -30.3 | 175.5 | -73.2 | 170.9 | 0 | 0 | 0 | 112.6 | V24 D25 S30 Q80 L114 | V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 HydrophobicContact CG1-CG 4.25Å; V24-L28 WeakPolarHBondContact O-CB 3.17Å; V24-L28 VanDerWaalsContact O-CG 3.27Å; V24-L28 WeakPolarHBondContact O-CG 3.24Å; V24-L28 PolarHBondContact O-N 3.42Å; D25-L28 WeakPolarHBondContact O-CB 3.49Å; D25-L28 PolarHBondContact O-N 3.22Å; L28-S30 VanDerWaalsContact C-N 3.35Å; L28-Q80 HydrophobicContact CB-CG 4.41Å; L28-L114 HydrophobicContact CD2-CD2 3.73Å; L28-L114 HydrophobicContact CG-CD2 4.32Å |
| 29 | R | 85.4 | Confident | 77.8 | Confident | 70 Ų | 70 | 61.5 Ų | 61.5 | 26% | 0.264 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.6 | 172.6 | -64.7 | -167.4 | -82.6 | 152.7 | 0.8 | 114.1 | D25 R26 Y77 Q78 Q80 | D25-R29 WeakPolarHBondContact O-CG 3.5Å; D25-R29 PolarHBondContact O-N 3.26Å; D25-R29 IonicContact OD1-CZ 3.86Å; D25-R29 IonicContact OD1-NE 2.66Å; D25-R29 PolarHBondContact OD1-NE 3.07Å; D25-R29 IonicContact OD1-NH2 2.66Å; D25-R29 PolarHBondContact OD1-NH2 2.66Å; D25-R29 IonicContact OD2-NE 2.76Å; R26-R29 PolarHBondContact O-N 3.28Å; R29-Y77 PolarHBondContact O-N 3.34Å; R29-Q78 WeakPolarHBondContact CD-O 3.42Å; R29-Q78 PolarHBondContact NH1-O 3.38Å; R29-Q80 HydrophobicContact CG-CB 4Å |
| 30 | S | 87.8 | Confident | 79.4 | Confident | 17 Ų | 17 | 54.2 Ų | 54.2 | 12% | 0.119 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 138.2 | -179.2 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | R26 S27 L28 C75 A105 | R26-S30 WeakPolarHBondContact O-CB 3.12Å; R26-S30 PolarHBondContact O-N 3.42Å; R26-S30 VanDerWaalsContact O-N 3.14Å; R26-S30 PolarHBondContact O-OG 3.22Å; S27-S30 PolarHBondContact O-N 3.18Å; L28-S30 VanDerWaalsContact C-N 3.35Å; S30-C75 CarbonylContact C-O 3.58Å; S30-C75 WeakPolarHBondContact CA-O 3.47Å; S30-A105 WeakPolarHBondContact O-CB 3.02Å; S30-A105 PolarHBondContact O-N 2.85Å |
| 31 | V | 89.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 127.8 | -174.7 | 178.1 | 0 | 0 | 0 | 0 | 109.4 | F49 C75 Y77 A83 M87 V102 D103 | V31-F49 HydrophobicContact CG1-CE1 4.25Å; V31-C75 PolarHBondContact N-O 3.23Å; V31-C75 PolarHBondContact O-N 2.94Å; V31-Y77 HydrophobicContact CB-CE2 4.36Å; V31-Y77 HydrophobicContact CG2-CD2 3.83Å; V31-Y77 HydrophobicContact CG2-CE2 3.89Å; V31-A83 HydrophobicContact CG2-CB 3.55Å; V31-M87 HydrophobicContact CG1-CG 4.01Å; V31-M87 HydrophobicContact CG2-CG 4.34Å; V31-V102 HydrophobicContact CG1-CG1 3.23Å; V31-D103 CarbonylContact C-O 3.49Å |
| 32 | F | 90.4 | Very high | 81.6 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 133.4 | 173.5 | 169.1 | -94.9 | 0 | 0 | 0 | 108.9 | Y72 F74 V102 D103 A105 | F32-Y72 AromaticContact CE2-CD2 3.84Å; F32-Y72 HydrophobicContact CE2-CD2 3.84Å; F32-Y72 HydrophobicContact CE2-CG 4.08Å; F32-Y72 HydrophobicContact CZ-CG 4.42Å; F32-F74 HydrophobicContact CB-CE1 4.47Å; F32-F74 HydrophobicContact CD2-CD1 4.28Å; F32-F74 AromaticContact CD2-CE1 3.77Å; F32-F74 HydrophobicContact CD2-CE1 3.77Å; F32-F74 HydrophobicContact CD2-CZ 4.14Å; F32-V102 WeakPolarHBondContact O-CA 3.41Å; F32-D103 HydrophobicContact CB-CB 4.37Å; F32-D103 HydrophobicContact CD1-CB 3.94Å; F32-D103 PolarHBondContact N-O 3.49Å; F32-D103 PolarHBondContact O-N 2.66Å; F32-A105 HydrophobicContact CB-CB 4.29Å |
| 33 | V | 89.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 119.5 | 177.3 | -167 | 0 | 0 | 0 | 0 | 107.9 | I36 L45 F49 F58 Y72 G73 C75 R101 | V33-I36 HydrophobicContact CB-CD1 4.07Å; V33-I36 HydrophobicContact CG1-CD1 3.8Å; V33-I36 HydrophobicContact CG1-CG1 3.89Å; V33-L45 HydrophobicContact CG1-CD2 4.42Å; V33-F49 HydrophobicContact CB-CZ 4.17Å; V33-F49 HydrophobicContact CG1-CE2 4.14Å; V33-F49 HydrophobicContact CG1-CZ 3.7Å; V33-F49 HydrophobicContact CG2-CD1 4.41Å; V33-F49 HydrophobicContact CG2-CE1 3.41Å; V33-F49 VanDerWaalsContact CG2-CE1 3.41Å; V33-F49 HydrophobicContact CG2-CE2 4.27Å; V33-F49 HydrophobicContact CG2-CZ 3.33Å; V33-F58 HydrophobicContact CG2-CE2 4.33Å; V33-F58 HydrophobicContact CG2-CZ 4.48Å; V33-Y72 CarbonylContact O-C 3.55Å; V33-Y72 WeakPolarHBondContact O-CA 3.5Å; V33-Y72 WeakPolarHBondContact O-CB 3.14Å; V33-G73 PolarHBondContact N-O 2.88Å; V33-G73 PolarHBondContact O-N 2.83Å; V33-C75 HydrophobicContact CG2-CB 4.27Å; V33-R101 CarbonylContact C-O 3.51Å; V33-R101 WeakPolarHBondContact CA-O 3.3Å |
| 34 | G | 89.2 | Confident | 83.7 | Confident | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I36 G71 R101 | G34-I36 PolarHBondContact O-N 2.89Å; G34-G71 CarbonylContact C-O 3.58Å; G34-R101 PolarHBondContact N-O 3.49Å; G34-R101 PolarHBondContact O-N 2.96Å |
| 35 | N | 88.6 | Confident | 84.6 | Confident | 85 Ų | 85 | 54 Ų | 54 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 57 | 24.5 | -173.7 | -159.4 | 53.7 | 0 | 0 | 0 | 114.3 | G71 A99 R101 | N35-G71 PolarHBondContact N-O 3.41Å; N35-A99 PolarHBondContact ND2-O 3.25Å; N35-R101 HydrophobicContact CB-CB 4.4Å |
| 36 | I | 87.5 | Confident | 85.4 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -65.7 | 131.6 | 177.9 | -55.8 | 174.6 | 0 | 0 | 0 | 108.7 | V33 G34 A40 L45 L60 G71 L100 | V33-I36 HydrophobicContact CB-CD1 4.07Å; V33-I36 HydrophobicContact CG1-CD1 3.8Å; V33-I36 HydrophobicContact CG1-CG1 3.89Å; G34-I36 PolarHBondContact O-N 2.89Å; I36-A40 HydrophobicContact CG2-CB 3.35Å; I36-L45 HydrophobicContact CD1-CD1 3.97Å; I36-L45 HydrophobicContact CD1-CD2 4.36Å; I36-L45 HydrophobicContact CG1-CD2 4.4Å; I36-L45 HydrophobicContact CG2-CD1 3.81Å; I36-L45 HydrophobicContact CG2-CD2 4.3Å; I36-L60 HydrophobicContact CD1-CD1 4.4Å; I36-G71 WeakPolarHBondContact CB-O 3.3Å; I36-G71 PolarHBondContact N-O 3.33Å; I36-G71 VanDerWaalsContact O-CA 3.27Å; I36-G71 WeakPolarHBondContact O-CA 3.44Å; I36-L100 HydrophobicContact CG1-CD2 4.25Å | ||
| 37 | P | 83.3 | Confident | 85.9 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 5% | 0.045 | 27% | 0.273 | C | S | . | . | trans | -66.7 | 149.6 | 174 | 24.6 | -29 | 0 | 0 | 0 | 111.3 | E39 A40 F95 | P37-E39 PolarHBondContact O-N 2.8Å; P37-E39 VanDerWaalsContact O-N 3.11Å; P37-A40 HydrophobicContact CG-CB 4.18Å; P37-A40 VanDerWaalsContact O-CB 3.25Å; P37-A40 WeakPolarHBondContact O-CB 3.39Å; P37-A40 PolarHBondContact O-N 2.66Å; P37-F95 HydrophobicContact CG-CD1 3.49Å; P37-F95 VanDerWaalsContact CG-CD1 3.49Å; P37-F95 HydrophobicContact CG-CE1 3.72Å | ||
| 38 | Y | 82.9 | Confident | 86.3 | Confident | 143 Ų | 143 | 56.9 Ų | 56.9 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.4 | -176.2 | -57.9 | -76.6 | 0 | 0 | 0 | 114.2 | P69 | Y38-P69 HydrophobicContact CD1-CG 4.14Å; Y38-P69 WeakPolarHBondContact CD1-O 3.47Å; Y38-P69 VanDerWaalsContact CE1-O 3.23Å; Y38-P69 WeakPolarHBondContact CE1-O 3.37Å; Y38-P69 WeakPolarHBondContact O-CG 3.41Å |
| 39 | E | 81.4 | Confident | 86.6 | Confident | 171 Ų | 171 | 56.4 Ų | 56.4 | 80% | 0.799 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -5.2 | 176.3 | -63.8 | 170.5 | 103.3 | 0 | 0 | 112.8 | P37 | P37-E39 PolarHBondContact O-N 2.8Å; P37-E39 VanDerWaalsContact O-N 3.11Å |
| 40 | A | 80.3 | Confident | 86.7 | Confident | 8 Ų | 8 | 56 Ų | 56 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | trans | -71.2 | 130.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I36 P37 L45 F95 | I36-A40 HydrophobicContact CG2-CB 3.35Å; P37-A40 HydrophobicContact CG-CB 4.18Å; P37-A40 VanDerWaalsContact O-CB 3.25Å; P37-A40 WeakPolarHBondContact O-CB 3.39Å; P37-A40 PolarHBondContact O-N 2.66Å; A40-L45 HydrophobicContact CB-CD1 4.09Å; A40-L45 HydrophobicContact CB-CG 4.45Å; A40-F95 HydrophobicContact CB-CD1 4.43Å; A40-F95 HydrophobicContact CB-CE1 3.63Å; A40-F95 HydrophobicContact CB-CZ 4.44Å | ||
| 41 | T | 84.5 | Confident | 86.7 | Confident | 65 Ų | 65 | 62 Ų | 62 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | trans | -90 | 155.1 | 166.2 | 62 | 0 | 0 | 0 | 0 | 110.9 | E43 Q44 L45 | T41-E43 PolarHBondContact O-N 3.4Å; T41-Q44 PolarHBondContact O-N 2.73Å; T41-Q44 PolarHBondContact OG1-N 2.84Å; T41-L45 WeakPolarHBondContact O-CD1 3.48Å; T41-L45 PolarHBondContact O-N 2.8Å | ||
| 42 | E | 85.7 | Confident | 86.4 | Confident | 74 Ų | 74 | 63.9 Ų | 63.9 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.1 | -36.3 | 171 | 174.8 | 162 | 111.5 | 0 | 0 | 111.6 | L45 K46 F58 L60 | E42-L45 PolarHBondContact O-N 3.19Å; E42-K46 VanDerWaalsContact O-CB 3.24Å; E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 PolarHBondContact O-N 3.47Å; E42-F58 HydrophobicContact CB-CD1 4.39Å; E42-F58 HydrophobicContact CG-CB 4.09Å; E42-F58 HydrophobicContact CG-CD1 3.57Å; E42-F58 HydrophobicContact CG-CE1 4.36Å; E42-F58 HydrophobicContact CG-CG 4.1Å; E42-F58 WeakPolarHBondContact OE2-CD1 3.23Å; E42-L60 PolarHBondContact OE2-N 3.41Å; E42-L60 VanDerWaalsContact OE2-N 3.13Å |
| 43 | E | 86.8 | Confident | 86.1 | Confident | 155 Ų | 155 | 62.4 Ų | 62.4 | 72% | 0.724 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.4 | -45.4 | 177.2 | -65.1 | 168.2 | 100.5 | 0 | 0 | 112.4 | T41 K46 D47 | T41-E43 PolarHBondContact O-N 3.4Å; E43-K46 PolarHBondContact O-N 2.94Å; E43-D47 PolarHBondContact O-N 2.76Å |
| 44 | Q | 87.4 | Confident | 86 | Confident | 95 Ų | 95 | 67.8 Ų | 67.8 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | -179.8 | -157.4 | 83.4 | 82.2 | 0 | 0 | 111.9 | T41 I48 F95 | T41-Q44 PolarHBondContact O-N 2.73Å; T41-Q44 PolarHBondContact OG1-N 2.84Å; Q44-I48 WeakPolarHBondContact O-CD1 3.27Å; Q44-I48 VanDerWaalsContact O-CG1 3.3Å; Q44-I48 WeakPolarHBondContact O-CG1 3.31Å; Q44-I48 PolarHBondContact O-N 2.9Å; Q44-F95 HydrophobicContact CB-CZ 4.26Å; Q44-F95 HydrophobicContact CG-CE2 3.64Å; Q44-F95 HydrophobicContact CG-CZ 3.67Å |
| 45 | L | 87.4 | Confident | 86 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67 | -41.1 | 173.7 | -71.3 | 154.8 | 0 | 0 | 0 | 111.1 | V33 I36 A40 T41 E42 D47 I48 F49 F58 L60 L100 | V33-L45 HydrophobicContact CG1-CD2 4.42Å; I36-L45 HydrophobicContact CD1-CD1 3.97Å; I36-L45 HydrophobicContact CD1-CD2 4.36Å; I36-L45 HydrophobicContact CG1-CD2 4.4Å; I36-L45 HydrophobicContact CG2-CD1 3.81Å; I36-L45 HydrophobicContact CG2-CD2 4.3Å; A40-L45 HydrophobicContact CB-CD1 4.09Å; A40-L45 HydrophobicContact CB-CG 4.45Å; T41-L45 WeakPolarHBondContact O-CD1 3.48Å; T41-L45 PolarHBondContact O-N 2.8Å; E42-L45 PolarHBondContact O-N 3.19Å; L45-D47 VanDerWaalsContact C-N 3.34Å; L45-D47 PolarHBondContact O-N 3.13Å; L45-I48 PolarHBondContact O-N 2.8Å; L45-F49 WeakPolarHBondContact O-CB 3.32Å; L45-F49 WeakPolarHBondContact O-CD2 3.49Å; L45-F49 PolarHBondContact O-N 3.46Å; L45-F58 HydrophobicContact CB-CE1 4.25Å; L45-F58 HydrophobicContact CB-CE2 3.85Å; L45-F58 HydrophobicContact CB-CZ 3.63Å; L45-F58 HydrophobicContact CD1-CE1 4.1Å; L45-F58 HydrophobicContact CD1-CZ 3.86Å; L45-F58 HydrophobicContact CG-CZ 4.23Å; L45-L60 HydrophobicContact CD1-CD1 3.58Å; L45-L100 HydrophobicContact CD2-CD1 4.24Å; L45-L100 HydrophobicContact CD2-CD2 4.36Å |
| 46 | K | 88.1 | Confident | 85.9 | Confident | 109 Ų | 109 | 68.8 Ų | 68.8 | 47% | 0.474 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 176.5 | -173.1 | -178.4 | 179.4 | -175.2 | 0 | 111.8 | E42 E43 F49 S50 V55 | E42-K46 VanDerWaalsContact O-CB 3.24Å; E42-K46 WeakPolarHBondContact O-CB 3.14Å; E42-K46 PolarHBondContact O-N 3.47Å; E43-K46 PolarHBondContact O-N 2.94Å; K46-F49 PolarHBondContact O-N 3.26Å; K46-S50 WeakPolarHBondContact O-CB 3.33Å; K46-S50 PolarHBondContact O-N 3.45Å; K46-V55 HydrophobicContact CG-CG1 4.49Å |
| 47 | D | 88.2 | Confident | 85.7 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.7 | -52.9 | 175 | -173.6 | -111.7 | 0 | 0 | 0 | 111.7 | E43 L45 F49 S50 E51 | E43-D47 PolarHBondContact O-N 2.76Å; L45-D47 VanDerWaalsContact C-N 3.34Å; L45-D47 PolarHBondContact O-N 3.13Å; D47-F49 VanDerWaalsContact C-N 3.28Å; D47-F49 PolarHBondContact O-N 2.94Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.15Å; D47-S50 VanDerWaalsContact O-N 3.07Å; D47-E51 PolarHBondContact O-N 2.98Å |
| 48 | I | 87.6 | Confident | 85.9 | Confident | 22 Ų | 22 | 71.8 Ų | 71.8 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 177.5 | -66.8 | 164.2 | 0 | 0 | 0 | 112.5 | Q44 L45 E51 L90 F95 | Q44-I48 WeakPolarHBondContact O-CD1 3.27Å; Q44-I48 VanDerWaalsContact O-CG1 3.3Å; Q44-I48 WeakPolarHBondContact O-CG1 3.31Å; Q44-I48 PolarHBondContact O-N 2.9Å; L45-I48 PolarHBondContact O-N 2.8Å; I48-E51 WeakPolarHBondContact O-CB 3.23Å; I48-L90 HydrophobicContact CG2-CD2 4.25Å; I48-F95 HydrophobicContact CD1-CD2 3.37Å; I48-F95 HydrophobicContact CD1-CE2 3.57Å; I48-F95 HydrophobicContact CD1-CG 4.23Å |
| 49 | F | 86.8 | Confident | 86.1 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -79.8 | -27 | 179.1 | -82.4 | -117.9 | 0 | 0 | 0 | 111.7 | V31 V33 L45 K46 D47 E51 V52 G53 V55 C75 Y77 L90 V102 | V31-F49 HydrophobicContact CG1-CE1 4.25Å; V33-F49 HydrophobicContact CB-CZ 4.17Å; V33-F49 HydrophobicContact CG1-CE2 4.14Å; V33-F49 HydrophobicContact CG1-CZ 3.7Å; V33-F49 HydrophobicContact CG2-CD1 4.41Å; V33-F49 HydrophobicContact CG2-CE1 3.41Å; V33-F49 VanDerWaalsContact CG2-CE1 3.41Å; V33-F49 HydrophobicContact CG2-CE2 4.27Å; V33-F49 HydrophobicContact CG2-CZ 3.33Å; L45-F49 WeakPolarHBondContact O-CB 3.32Å; L45-F49 WeakPolarHBondContact O-CD2 3.49Å; L45-F49 PolarHBondContact O-N 3.46Å; K46-F49 PolarHBondContact O-N 3.26Å; D47-F49 VanDerWaalsContact C-N 3.28Å; D47-F49 PolarHBondContact O-N 2.94Å; F49-E51 VanDerWaalsContact C-N 3.29Å; F49-V52 PolarHBondContact O-N 2.82Å; F49-G53 PolarHBondContact O-N 3.45Å; F49-V55 HydrophobicContact CB-CG2 3.86Å; F49-C75 HydrophobicContact CD1-CB 4.02Å; F49-C75 HydrophobicContact CE1-CB 4.3Å; F49-Y77 VanDerWaalsContact CB-OH 3.32Å; F49-Y77 WeakPolarHBondContact CB-OH 3.33Å; F49-Y77 HydrophobicContact CD1-CE2 4.06Å; F49-Y77 AromaticContact CD1-CZ 3.89Å; F49-Y77 WeakPolarHBondContact CD1-OH 3.11Å; F49-Y77 PolarHBondContact O-OH 3.44Å; F49-L90 HydrophobicContact CB-CD1 4.41Å; F49-L90 HydrophobicContact CD1-CD1 3.66Å; F49-L90 HydrophobicContact CD2-CD1 3.76Å; F49-L90 HydrophobicContact CE1-CD1 3.66Å; F49-L90 HydrophobicContact CE2-CD1 3.79Å; F49-L90 HydrophobicContact CG-CD1 3.69Å; F49-L90 HydrophobicContact CZ-CB 4.49Å; F49-L90 HydrophobicContact CZ-CD1 3.72Å; F49-V102 HydrophobicContact CE1-CG1 4.12Å; F49-V102 HydrophobicContact CZ-CG1 4.17Å; F49-V102 HydrophobicContact CZ-CG2 3.9Å |
| 50 | S | 87.3 | Confident | 86.4 | Confident | 62 Ų | 62 | 66 Ų | 66 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.7 | -19.9 | 174 | -166.8 | 0 | 0 | 0 | 0 | 113.4 | K46 D47 V52 G53 | K46-S50 WeakPolarHBondContact O-CB 3.33Å; K46-S50 PolarHBondContact O-N 3.45Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.15Å; D47-S50 VanDerWaalsContact O-N 3.07Å; S50-V52 PolarHBondContact O-N 3.19Å; S50-G53 WeakPolarHBondContact CA-O 3.23Å |
| 51 | E | 87.1 | Confident | 86.7 | Confident | 142 Ų | 142 | 67.2 Ų | 67.2 | 66% | 0.664 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -31.1 | 170.9 | -173.6 | 175.5 | 70.6 | 0 | 0 | 112.1 | D47 I48 F49 R93 | D47-E51 PolarHBondContact O-N 2.98Å; I48-E51 WeakPolarHBondContact O-CB 3.23Å; F49-E51 VanDerWaalsContact C-N 3.29Å; E51-R93 IonicContact OE1-CZ 2.96Å; E51-R93 VanDerWaalsContact OE1-CZ 3.25Å; E51-R93 IonicContact OE1-NH1 3.16Å; E51-R93 PolarHBondContact OE1-NH1 3Å; E51-R93 IonicContact OE1-NH2 2.89Å; E51-R93 PolarHBondContact OE1-NH2 3.11Å |
| 52 | V | 83.3 | Confident | 86.7 | Confident | 40 Ų | 40 | 69.7 Ų | 69.7 | 24% | 0.242 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -26.5 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | F49 S50 A86 L90 | F49-V52 PolarHBondContact O-N 2.82Å; S50-V52 PolarHBondContact O-N 3.19Å; V52-A86 HydrophobicContact CB-CB 4.47Å; V52-A86 HydrophobicContact CG1-CB 4.13Å; V52-L90 HydrophobicContact CG2-CD1 4.13Å; V52-L90 HydrophobicContact CG2-CD2 3.68Å; V52-L90 HydrophobicContact CG2-CG 3.95Å |
| 53 | G | 85.1 | Confident | 86.6 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 19% | 0.186 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 162 | -170.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F49 S50 V55 | F49-G53 PolarHBondContact O-N 3.45Å; S50-G53 WeakPolarHBondContact CA-O 3.23Å; G53-V55 PolarHBondContact O-N 2.96Å |
| 54 | L | 87.1 | Confident | 86 | Confident | 112 Ų | 112 | 73.2 Ų | 73.2 | 59% | 0.586 | 36% | 0.356 | S | S | * | . | trans | -74.7 | 110.3 | -164.8 | -63.6 | 175.5 | 0 | 0 | 0 | 113.1 | Y77 Q78 | L54-Y77 WeakPolarHBondContact O-CD1 3.25Å; L54-Q78 HydrophobicContact CB-CB 4.34Å; L54-Q78 VanDerWaalsContact CD1-OE1 3.31Å; L54-Q78 PolarHBondContact O-N 2.93Å | ||
| 55 | V | 88.8 | Confident | 85.6 | Confident | 22 Ų | 22 | 77.7 Ų | 77.7 | 13% | 0.133 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 116.6 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | K46 F49 G53 F58 C75 Y77 | K46-V55 HydrophobicContact CG-CG1 4.49Å; F49-V55 HydrophobicContact CB-CG2 3.86Å; G53-V55 PolarHBondContact O-N 2.96Å; V55-F58 HydrophobicContact CG1-CB 4.42Å; V55-C75 VanDerWaalsContact CG1-SG 3.57Å; V55-Y77 HydrophobicContact CG2-CD1 4.14Å; V55-Y77 HydrophobicContact CG2-CE1 3.66Å |
| 56 | V | 87.6 | Confident | 85.1 | Confident | 89 Ų | 89 | 82 Ų | 82 | 54% | 0.539 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -42.4 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | E76 Q78 | V56-E76 WeakPolarHBondContact CB-O 3.45Å; V56-E76 PolarHBondContact N-O 3.11Å; V56-Q78 HydrophobicContact CG2-CB 3.91Å |
| 57 | S | 83.4 | Confident | 84.4 | Confident | 55 Ų | 55 | 79.4 Ų | 79.4 | 39% | 0.385 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 137 | -180 | -169.8 | 0 | 0 | 0 | 0 | 110.5 | C75 E76 | S57-C75 CarbonylContact O-C 3.55Å; S57-E76 PolarHBondContact N-O 3.08Å; S57-E76 PolarHBondContact O-N 3.4Å |
| 58 | F | 87.9 | Confident | 83.9 | Confident | 17 Ų | 17 | 80.8 Ų | 80.8 | 8% | 0.075 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 146.6 | 166.2 | -160.4 | -79.3 | 0 | 0 | 0 | 108 | V33 E42 L45 V55 L60 F74 C75 | V33-F58 HydrophobicContact CG2-CE2 4.33Å; V33-F58 HydrophobicContact CG2-CZ 4.48Å; E42-F58 HydrophobicContact CB-CD1 4.39Å; E42-F58 HydrophobicContact CG-CB 4.09Å; E42-F58 HydrophobicContact CG-CD1 3.57Å; E42-F58 HydrophobicContact CG-CE1 4.36Å; E42-F58 HydrophobicContact CG-CG 4.1Å; E42-F58 WeakPolarHBondContact OE2-CD1 3.23Å; L45-F58 HydrophobicContact CB-CE1 4.25Å; L45-F58 HydrophobicContact CB-CE2 3.85Å; L45-F58 HydrophobicContact CB-CZ 3.63Å; L45-F58 HydrophobicContact CD1-CE1 4.1Å; L45-F58 HydrophobicContact CD1-CZ 3.86Å; L45-F58 HydrophobicContact CG-CZ 4.23Å; V55-F58 HydrophobicContact CG1-CB 4.42Å; F58-L60 HydrophobicContact CE1-CB 4.15Å; F58-L60 HydrophobicContact CE1-CD1 4.44Å; F58-F74 CarbonylContact C-O 3.42Å; F58-C75 HydrophobicContact CD2-CB 3.69Å; F58-C75 HydrophobicContact CE2-CB 3.84Å |
| 59 | R | 87.4 | Confident | 83.5 | Confident | 183 Ų | 183 | 80.7 Ų | 80.7 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 100.3 | 176.2 | -170.7 | -176.1 | -167.1 | -169.3 | 6.4 | 110.6 | G73 F74 | R59-G73 CarbonylContact O-C 3.53Å; R59-G73 VanDerWaalsContact O-CA 3.23Å; R59-G73 WeakPolarHBondContact O-CA 3.27Å; R59-F74 PolarHBondContact N-O 3.13Å; R59-F74 PolarHBondContact O-N 3.3Å |
| 60 | L | 86.9 | Confident | 83.2 | Confident | 10 Ų | 10 | 85.3 Ų | 85.3 | 5% | 0.052 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141.3 | 170.7 | -156 | 141.6 | 0 | 0 | 0 | 111.2 | I36 E42 L45 F58 Y62 P69 | I36-L60 HydrophobicContact CD1-CD1 4.4Å; E42-L60 PolarHBondContact OE2-N 3.41Å; E42-L60 VanDerWaalsContact OE2-N 3.13Å; L45-L60 HydrophobicContact CD1-CD1 3.58Å; F58-L60 HydrophobicContact CE1-CB 4.15Å; F58-L60 HydrophobicContact CE1-CD1 4.44Å; L60-Y62 HydrophobicContact CB-CE2 3.87Å; L60-Y62 HydrophobicContact CD2-CD1 4.15Å; L60-Y62 HydrophobicContact CD2-CD2 4.24Å; L60-Y62 HydrophobicContact CD2-CE1 3.73Å; L60-Y62 HydrophobicContact CD2-CE2 3.82Å; L60-Y62 HydrophobicContact CD2-CG 4.39Å; L60-Y62 HydrophobicContact CG-CE2 4.47Å; L60-Y62 WeakPolarHBondContact O-CD2 3.48Å; L60-P69 HydrophobicContact CD2-CB 3.48Å; L60-P69 VanDerWaalsContact CD2-CB 3.48Å |
| 61 | V | 85.6 | Confident | 83.1 | Confident | 33 Ų | 33 | 82.9 Ų | 82.9 | 20% | 0.2 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115 | 179.5 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | K70 Y72 F74 | V61-K70 HydrophobicContact CG1-CD 3.92Å; V61-K70 WeakPolarHBondContact O-CB 3.43Å; V61-K70 PolarHBondContact O-N 3.37Å; V61-Y72 HydrophobicContact CB-CD2 4.01Å; V61-Y72 HydrophobicContact CB-CE2 3.67Å; V61-Y72 HydrophobicContact CG1-CE2 3.91Å; V61-Y72 HydrophobicContact CG2-CD2 3.9Å; V61-Y72 HydrophobicContact CG2-CE2 3.59Å; V61-Y72 PolarHBondContact N-O 3.13Å; V61-F74 HydrophobicContact CG2-CD2 4.11Å; V61-F74 HydrophobicContact CG2-CE2 3.98Å |
| 62 | Y | 84.4 | Confident | 83.1 | Confident | 116 Ų | 116 | 79.2 Ų | 79.2 | 46% | 0.455 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 145.3 | 175.4 | -58 | -91.3 | 0 | 0 | 0 | 111 | L60 P69 | L60-Y62 HydrophobicContact CB-CE2 3.87Å; L60-Y62 HydrophobicContact CD2-CD1 4.15Å; L60-Y62 HydrophobicContact CD2-CD2 4.24Å; L60-Y62 HydrophobicContact CD2-CE1 3.73Å; L60-Y62 HydrophobicContact CD2-CE2 3.82Å; L60-Y62 HydrophobicContact CD2-CG 4.39Å; L60-Y62 HydrophobicContact CG-CE2 4.47Å; L60-Y62 WeakPolarHBondContact O-CD2 3.48Å; Y62-P69 HydrophobicContact CD1-CB 4Å; Y62-P69 HydrophobicContact CE1-CB 4.01Å |
| 63 | D | 83.7 | Confident | 83.5 | Confident | 51 Ų | 51 | 77.3 Ų | 77.3 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | trans | -75.2 | 126.5 | 172.6 | -174 | -103.5 | 0 | 0 | 0 | 109.9 | E65 T66 G67 K68 K70 | D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 2.86Å; D63-E65 PolarHBondContact OD1-N 3.05Å; D63-T66 WeakPolarHBondContact CB-OG1 3.39Å; D63-T66 WeakPolarHBondContact OD1-CB 3.29Å; D63-T66 PolarHBondContact OD1-N 2.96Å; D63-T66 PolarHBondContact OD1-OG1 2.77Å; D63-G67 VanDerWaalsContact O-CA 3.23Å; D63-G67 WeakPolarHBondContact O-CA 3.48Å; D63-G67 PolarHBondContact O-N 3.01Å; D63-K68 VanDerWaalsContact CB-O 3.29Å; D63-K68 WeakPolarHBondContact CB-O 3.44Å; D63-K68 PolarHBondContact N-O 3.38Å; D63-K70 HydrophobicContact CB-CD 4.42Å; D63-K70 HydrophobicContact CB-CG 3.84Å | ||
| 64 | R | 75.7 | Confident | 83.7 | Confident | 253 Ų | 253 | 80.3 Ų | 80.3 | 96% | 0.955 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.9 | -173.1 | -68 | -176.5 | 74.4 | 176.9 | 4.1 | 113.8 | ||
| 65 | E | 78.3 | Confident | 83.8 | Confident | 188 Ų | 188 | 75 Ų | 75 | 88% | 0.879 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.7 | -40.7 | -174.7 | -161.3 | 168.6 | 105.7 | 0 | 0 | 111.2 | D63 | D63-E65 VanDerWaalsContact C-N 3.28Å; D63-E65 PolarHBondContact O-N 2.86Å; D63-E65 PolarHBondContact OD1-N 3.05Å |
| 66 | T | 76.7 | Confident | 83.8 | Confident | 90 Ų | 90 | 75.3 Ų | 75.3 | 55% | 0.552 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -12.9 | 179 | 62.8 | 0 | 0 | 0 | 0 | 114.2 | D63 K68 | D63-T66 WeakPolarHBondContact CB-OG1 3.39Å; D63-T66 WeakPolarHBondContact OD1-CB 3.29Å; D63-T66 PolarHBondContact OD1-N 2.96Å; D63-T66 PolarHBondContact OD1-OG1 2.77Å; T66-K68 PolarHBondContact O-N 3.15Å; T66-K68 VanDerWaalsContact O-N 3.15Å; T66-K68 PolarHBondContact OG1-N 3.02Å |
| 67 | G | 74.3 | Confident | 83.9 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 58% | 0.577 | 34% | 0.338 | S | S | * | . | trans | 68.8 | 1.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D63 | D63-G67 VanDerWaalsContact O-CA 3.23Å; D63-G67 WeakPolarHBondContact O-CA 3.48Å; D63-G67 PolarHBondContact O-N 3.01Å | ||
| 68 | K | 76.8 | Confident | 84.1 | Confident | 137 Ų | 137 | 73 Ų | 73 | 60% | 0.596 | 34% | 0.341 | S | S | * | . | trans | -84 | 145.3 | -176.7 | -61.6 | -169 | 178.2 | -168.3 | 0 | 111 | D63 T66 K70 | D63-K68 VanDerWaalsContact CB-O 3.29Å; D63-K68 WeakPolarHBondContact CB-O 3.44Å; D63-K68 PolarHBondContact N-O 3.38Å; T66-K68 PolarHBondContact O-N 3.15Å; T66-K68 VanDerWaalsContact O-N 3.15Å; T66-K68 PolarHBondContact OG1-N 3.02Å; K68-K70 PolarHBondContact O-N 3.21Å | ||
| 69 | P | 78.5 | Confident | 83.9 | Confident | 21 Ų | 21 | 76.1 Ų | 76.1 | 14% | 0.136 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 135.7 | 172.1 | 23.8 | -30.4 | 0 | 0 | 0 | 109.8 | Y38 L60 Y62 G71 | Y38-P69 HydrophobicContact CD1-CG 4.14Å; Y38-P69 WeakPolarHBondContact CD1-O 3.47Å; Y38-P69 VanDerWaalsContact CE1-O 3.23Å; Y38-P69 WeakPolarHBondContact CE1-O 3.37Å; Y38-P69 WeakPolarHBondContact O-CG 3.41Å; L60-P69 HydrophobicContact CD2-CB 3.48Å; L60-P69 VanDerWaalsContact CD2-CB 3.48Å; Y62-P69 HydrophobicContact CD1-CB 4Å; Y62-P69 HydrophobicContact CE1-CB 4.01Å; P69-G71 PolarHBondContact O-N 2.67Å; P69-G71 VanDerWaalsContact O-N 3.09Å |
| 70 | K | 81.9 | Confident | 83.8 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 6.9 | -179.7 | -63.5 | -175.1 | 76.1 | -168.7 | 0 | 113.6 | V61 D63 K68 Y72 | V61-K70 HydrophobicContact CG1-CD 3.92Å; V61-K70 WeakPolarHBondContact O-CB 3.43Å; V61-K70 PolarHBondContact O-N 3.37Å; D63-K70 HydrophobicContact CB-CD 4.42Å; D63-K70 HydrophobicContact CB-CG 3.84Å; K68-K70 PolarHBondContact O-N 3.21Å; K70-Y72 VanDerWaalsContact C-N 3.25Å; K70-Y72 HydrophobicContact CB-CD1 3.63Å; K70-Y72 HydrophobicContact CB-CE1 3.39Å; K70-Y72 HydrophobicContact CD-CE1 3.83Å; K70-Y72 HydrophobicContact CG-CE1 4.22Å; K70-Y72 PolarHBondContact NZ-OH 3.4Å; K70-Y72 WeakPolarHBondContact O-CD1 3.33Å; K70-Y72 PolarHBondContact O-N 3.14Å |
| 71 | G | 84.1 | Confident | 83.7 | Confident | 11 Ų | 11 | 76.1 Ų | 76.1 | 11% | 0.113 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 69.7 | 19.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G34 N35 I36 P69 | G34-G71 CarbonylContact C-O 3.58Å; N35-G71 PolarHBondContact N-O 3.41Å; I36-G71 WeakPolarHBondContact CB-O 3.3Å; I36-G71 PolarHBondContact N-O 3.33Å; I36-G71 VanDerWaalsContact O-CA 3.27Å; I36-G71 WeakPolarHBondContact O-CA 3.44Å; P69-G71 PolarHBondContact O-N 2.67Å; P69-G71 VanDerWaalsContact O-N 3.09Å |
| 72 | Y | 88.7 | Confident | 83.7 | Confident | 65 Ų | 65 | 75.8 Ų | 75.8 | 26% | 0.255 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 159.8 | 173 | 71.3 | -92 | 0 | 0 | 0 | 113.2 | F32 V33 V61 K70 F74 | F32-Y72 AromaticContact CE2-CD2 3.84Å; F32-Y72 HydrophobicContact CE2-CD2 3.84Å; F32-Y72 HydrophobicContact CE2-CG 4.08Å; F32-Y72 HydrophobicContact CZ-CG 4.42Å; V33-Y72 CarbonylContact O-C 3.55Å; V33-Y72 WeakPolarHBondContact O-CA 3.5Å; V33-Y72 WeakPolarHBondContact O-CB 3.14Å; V61-Y72 HydrophobicContact CB-CD2 4.01Å; V61-Y72 HydrophobicContact CB-CE2 3.67Å; V61-Y72 HydrophobicContact CG1-CE2 3.91Å; V61-Y72 HydrophobicContact CG2-CD2 3.9Å; V61-Y72 HydrophobicContact CG2-CE2 3.59Å; V61-Y72 PolarHBondContact N-O 3.13Å; K70-Y72 VanDerWaalsContact C-N 3.25Å; K70-Y72 HydrophobicContact CB-CD1 3.63Å; K70-Y72 HydrophobicContact CB-CE1 3.39Å; K70-Y72 HydrophobicContact CD-CE1 3.83Å; K70-Y72 HydrophobicContact CG-CE1 4.22Å; K70-Y72 PolarHBondContact NZ-OH 3.4Å; K70-Y72 WeakPolarHBondContact O-CD1 3.33Å; K70-Y72 PolarHBondContact O-N 3.14Å; Y72-F74 HydrophobicContact CD2-CE2 4.37Å; Y72-F74 HydrophobicContact CE2-CE2 4.26Å |
| 73 | G | 89.9 | Confident | 83.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 178.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | V33 R59 | V33-G73 PolarHBondContact N-O 2.88Å; V33-G73 PolarHBondContact O-N 2.83Å; R59-G73 CarbonylContact O-C 3.53Å; R59-G73 VanDerWaalsContact O-CA 3.23Å; R59-G73 WeakPolarHBondContact O-CA 3.27Å |
| 74 | F | 90.1 | Very high | 83.9 | Confident | 81 Ų | 81 | 71.3 Ų | 71.3 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.3 | 177.6 | -61.2 | -85 | 0 | 0 | 0 | 109.3 | F32 F58 R59 V61 Y72 A105 | F32-F74 HydrophobicContact CB-CE1 4.47Å; F32-F74 HydrophobicContact CD2-CD1 4.28Å; F32-F74 AromaticContact CD2-CE1 3.77Å; F32-F74 HydrophobicContact CD2-CE1 3.77Å; F32-F74 HydrophobicContact CD2-CZ 4.14Å; F58-F74 CarbonylContact C-O 3.42Å; R59-F74 PolarHBondContact N-O 3.13Å; R59-F74 PolarHBondContact O-N 3.3Å; V61-F74 HydrophobicContact CG2-CD2 4.11Å; V61-F74 HydrophobicContact CG2-CE2 3.98Å; Y72-F74 HydrophobicContact CD2-CE2 4.37Å; Y72-F74 HydrophobicContact CE2-CE2 4.26Å; F74-A105 HydrophobicContact CD1-CB 3.81Å; F74-A105 HydrophobicContact CE1-CB 4.32Å |
| 75 | C | 89.6 | Confident | 84.4 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.2 | 177.3 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | S30 V31 V33 F49 V55 S57 F58 | S30-C75 CarbonylContact C-O 3.58Å; S30-C75 WeakPolarHBondContact CA-O 3.47Å; V31-C75 PolarHBondContact N-O 3.23Å; V31-C75 PolarHBondContact O-N 2.94Å; V33-C75 HydrophobicContact CG2-CB 4.27Å; F49-C75 HydrophobicContact CD1-CB 4.02Å; F49-C75 HydrophobicContact CE1-CB 4.3Å; V55-C75 VanDerWaalsContact CG1-SG 3.57Å; S57-C75 CarbonylContact O-C 3.55Å; F58-C75 HydrophobicContact CD2-CB 3.69Å; F58-C75 HydrophobicContact CE2-CB 3.84Å |
| 76 | E | 88.8 | Confident | 84.8 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.8 | 178.3 | -174.8 | 174.3 | 153.9 | 0 | 0 | 108.5 | R26 V56 S57 | R26-E76 IonicContact CZ-OE1 3.12Å; R26-E76 IonicContact CZ-OE2 2.66Å; R26-E76 IonicContact NE-OE1 2.85Å; R26-E76 PolarHBondContact NE-OE1 2.94Å; R26-E76 IonicContact NE-OE2 3.25Å; R26-E76 PolarHBondContact NE-OE2 3.41Å; R26-E76 IonicContact NH2-OE1 3.88Å; R26-E76 IonicContact NH2-OE2 3.88Å; R26-E76 PolarHBondContact NH2-OE2 2.76Å; V56-E76 WeakPolarHBondContact CB-O 3.45Å; V56-E76 PolarHBondContact N-O 3.11Å; S57-E76 PolarHBondContact N-O 3.08Å; S57-E76 PolarHBondContact O-N 3.4Å |
| 77 | Y | 90 | Very high | 85.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 161 | 179.7 | -78.1 | -79 | 0 | 0 | 0 | 111.9 | R29 V31 F49 L54 V55 D79 T82 A83 A86 | R29-Y77 PolarHBondContact O-N 3.34Å; V31-Y77 HydrophobicContact CB-CE2 4.36Å; V31-Y77 HydrophobicContact CG2-CD2 3.83Å; V31-Y77 HydrophobicContact CG2-CE2 3.89Å; F49-Y77 VanDerWaalsContact CB-OH 3.32Å; F49-Y77 WeakPolarHBondContact CB-OH 3.33Å; F49-Y77 HydrophobicContact CD1-CE2 4.06Å; F49-Y77 AromaticContact CD1-CZ 3.89Å; F49-Y77 WeakPolarHBondContact CD1-OH 3.11Å; F49-Y77 PolarHBondContact O-OH 3.44Å; L54-Y77 WeakPolarHBondContact O-CD1 3.25Å; V55-Y77 HydrophobicContact CG2-CD1 4.14Å; V55-Y77 HydrophobicContact CG2-CE1 3.66Å; Y77-D79 VanDerWaalsContact C-N 3.31Å; Y77-T82 HydrophobicContact CD1-CG2 3.37Å; Y77-T82 HydrophobicContact CE1-CG2 3.63Å; Y77-T82 HydrophobicContact CG-CG2 3.99Å; Y77-A83 HydrophobicContact CD2-CB 3.93Å; Y77-A83 HydrophobicContact CG-CB 4.45Å; Y77-A86 HydrophobicContact CE2-CB 3.56Å; Y77-A86 VanDerWaalsContact OH-CB 3.27Å; Y77-A86 WeakPolarHBondContact OH-CB 3.42Å |
| 78 | Q | 86.1 | Confident | 85.8 | Confident | 94 Ų | 94 | 56.7 Ų | 56.7 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -65.1 | -37.5 | 173.8 | -173.3 | 169.2 | 14.8 | 0 | 0 | 111.9 | R29 L54 V56 | R29-Q78 WeakPolarHBondContact CD-O 3.42Å; R29-Q78 PolarHBondContact NH1-O 3.38Å; L54-Q78 HydrophobicContact CB-CB 4.34Å; L54-Q78 VanDerWaalsContact CD1-OE1 3.31Å; L54-Q78 PolarHBondContact O-N 2.93Å; V56-Q78 HydrophobicContact CG2-CB 3.91Å |
| 79 | D | 84.4 | Confident | 86.2 | Confident | 83 Ų | 83 | 55.3 Ų | 55.3 | 44% | 0.444 | 27% | 0.265 | S | S | . | . | trans | -128.7 | 146.1 | -172.4 | -63.1 | -83.1 | 0 | 0 | 0 | 111.9 | Y77 E81 T82 A83 | Y77-D79 VanDerWaalsContact C-N 3.31Å; D79-E81 VanDerWaalsContact C-N 3.31Å; D79-E81 PolarHBondContact O-N 2.99Å; D79-T82 PolarHBondContact O-N 3.35Å; D79-A83 PolarHBondContact O-N 3.08Å | ||
| 80 | Q | 84.3 | Confident | 86.6 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.5 | -35.3 | 178.2 | 174.1 | 167 | 23.4 | 0 | 0 | 111.4 | L28 R29 T82 A83 L84 | L28-Q80 HydrophobicContact CB-CG 4.41Å; R29-Q80 HydrophobicContact CG-CB 4Å; Q80-T82 VanDerWaalsContact C-N 3.28Å; Q80-T82 PolarHBondContact O-N 2.76Å; Q80-A83 WeakPolarHBondContact O-CB 3.4Å; Q80-A83 PolarHBondContact O-N 2.93Å; Q80-A83 VanDerWaalsContact O-N 3.13Å; Q80-L84 HydrophobicContact CG-CD1 3.79Å; Q80-L84 HydrophobicContact CG-CG 4.17Å; Q80-L84 WeakPolarHBondContact O-CG 3.43Å; Q80-L84 PolarHBondContact O-N 2.8Å |
| 81 | E | 85.1 | Confident | 86.9 | Confident | 141 Ų | 141 | 53.9 Ų | 53.9 | 66% | 0.659 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65 | -35 | -179.6 | -159.4 | 169.7 | 103.5 | 0 | 0 | 111.6 | D79 S85 | D79-E81 VanDerWaalsContact C-N 3.31Å; D79-E81 PolarHBondContact O-N 2.99Å; E81-S85 VanDerWaalsContact O-CB 3.3Å; E81-S85 WeakPolarHBondContact O-CB 3.47Å; E81-S85 PolarHBondContact O-N 2.84Å; E81-S85 PolarHBondContact O-OG 2.81Å |
| 82 | T | 86.9 | Confident | 86.9 | Confident | 26 Ų | 26 | 55.3 Ų | 55.3 | 16% | 0.16 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 169.8 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | Y77 D79 Q80 L84 S85 A86 | Y77-T82 HydrophobicContact CD1-CG2 3.37Å; Y77-T82 HydrophobicContact CE1-CG2 3.63Å; Y77-T82 HydrophobicContact CG-CG2 3.99Å; D79-T82 PolarHBondContact O-N 3.35Å; Q80-T82 VanDerWaalsContact C-N 3.28Å; Q80-T82 PolarHBondContact O-N 2.76Å; T82-L84 PolarHBondContact O-N 2.93Å; T82-S85 PolarHBondContact O-N 3.41Å; T82-A86 VanDerWaalsContact O-CB 3.31Å; T82-A86 WeakPolarHBondContact O-CB 3.46Å; T82-A86 PolarHBondContact O-N 2.86Å |
| 83 | A | 85.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V31 Y77 D79 Q80 A86 M87 | V31-A83 HydrophobicContact CG2-CB 3.55Å; Y77-A83 HydrophobicContact CD2-CB 3.93Å; Y77-A83 HydrophobicContact CG-CB 4.45Å; D79-A83 PolarHBondContact O-N 3.08Å; Q80-A83 WeakPolarHBondContact O-CB 3.4Å; Q80-A83 PolarHBondContact O-N 2.93Å; Q80-A83 VanDerWaalsContact O-N 3.13Å; A83-A86 WeakPolarHBondContact O-CB 3.46Å; A83-A86 PolarHBondContact O-N 2.83Å; A83-M87 WeakPolarHBondContact O-CG 3.27Å; A83-M87 PolarHBondContact O-N 3.43Å |
| 84 | L | 85.6 | Confident | 86.5 | Confident | 72 Ų | 72 | 63.7 Ų | 63.7 | 38% | 0.377 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 174.9 | -72.2 | 163.2 | 0 | 0 | 0 | 112 | Q80 T82 A86 M87 R88 | Q80-L84 HydrophobicContact CG-CD1 3.79Å; Q80-L84 HydrophobicContact CG-CG 4.17Å; Q80-L84 WeakPolarHBondContact O-CG 3.43Å; Q80-L84 PolarHBondContact O-N 2.8Å; T82-L84 PolarHBondContact O-N 2.93Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-M87 HydrophobicContact CD2-CE 3.64Å; L84-M87 HydrophobicContact CG-CE 4.25Å; L84-M87 PolarHBondContact O-N 2.97Å; L84-R88 PolarHBondContact O-N 2.73Å; L84-R88 VanDerWaalsContact O-N 3.08Å |
| 85 | S | 86.7 | Confident | 86.2 | Confident | 47 Ų | 47 | 61.2 Ų | 61.2 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | E81 T82 R88 N89 | E81-S85 VanDerWaalsContact O-CB 3.3Å; E81-S85 WeakPolarHBondContact O-CB 3.47Å; E81-S85 PolarHBondContact O-N 2.84Å; E81-S85 PolarHBondContact O-OG 2.81Å; T82-S85 PolarHBondContact O-N 3.41Å; S85-R88 PolarHBondContact O-N 3.32Å; S85-N89 WeakPolarHBondContact O-CB 3.23Å; S85-N89 PolarHBondContact O-N 2.78Å; S85-N89 PolarHBondContact O-ND2 3.21Å |
| 86 | A | 86.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | V52 Y77 T82 A83 L84 R88 N89 L90 | V52-A86 HydrophobicContact CB-CB 4.47Å; V52-A86 HydrophobicContact CG1-CB 4.13Å; Y77-A86 HydrophobicContact CE2-CB 3.56Å; Y77-A86 VanDerWaalsContact OH-CB 3.27Å; Y77-A86 WeakPolarHBondContact OH-CB 3.42Å; T82-A86 VanDerWaalsContact O-CB 3.31Å; T82-A86 WeakPolarHBondContact O-CB 3.46Å; T82-A86 PolarHBondContact O-N 2.86Å; A83-A86 WeakPolarHBondContact O-CB 3.46Å; A83-A86 PolarHBondContact O-N 2.83Å; L84-A86 VanDerWaalsContact C-N 3.33Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 3.44Å; A86-N89 PolarHBondContact O-N 2.87Å; A86-L90 HydrophobicContact CB-CD1 3.81Å; A86-L90 HydrophobicContact CB-CG 4.36Å; A86-L90 WeakPolarHBondContact O-CA 3.09Å; A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.17Å; A86-L90 PolarHBondContact O-N 2.92Å |
| 87 | M | 86.9 | Confident | 85.3 | Confident | 31 Ų | 31 | 67 Ų | 67 | 15% | 0.153 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 174.1 | -70.3 | -174.9 | -66.6 | 0 | 0 | 112.8 | V31 A83 L84 N91 V102 N104 | V31-M87 HydrophobicContact CG1-CG 4.01Å; V31-M87 HydrophobicContact CG2-CG 4.34Å; A83-M87 WeakPolarHBondContact O-CG 3.27Å; A83-M87 PolarHBondContact O-N 3.43Å; L84-M87 HydrophobicContact CD2-CE 3.64Å; L84-M87 HydrophobicContact CG-CE 4.25Å; L84-M87 PolarHBondContact O-N 2.97Å; M87-N91 WeakPolarHBondContact O-CB 3.48Å; M87-N91 PolarHBondContact O-N 3.09Å; M87-V102 HydrophobicContact CG-CG1 4.12Å; M87-N104 HydrophobicContact CE-CB 4.36Å; M87-N104 VanDerWaalsContact CE-OD1 3.28Å; M87-N104 WeakPolarHBondContact CE-OD1 3.5Å; M87-N104 WeakPolarHBondContact SD-CA 3.28Å; M87-N104 HydrophobicContact SD-CB 3.76Å; M87-N104 PolarHBondContact SD-N 3.35Å |
| 88 | R | 85.3 | Confident | 84.9 | Confident | 203 Ų | 203 | 71.9 Ų | 71.9 | 77% | 0.766 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.5 | -39.3 | -179.9 | -173.9 | 175.1 | -71.8 | -169.3 | -2.1 | 113.6 | L84 S85 A86 | L84-R88 PolarHBondContact O-N 2.73Å; L84-R88 VanDerWaalsContact O-N 3.08Å; S85-R88 PolarHBondContact O-N 3.32Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 3.44Å |
| 89 | N | 85.8 | Confident | 84.9 | Confident | 108 Ų | 108 | 69.6 Ų | 69.6 | 58% | 0.578 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -97.1 | -23.3 | -172.4 | -64.4 | -78.3 | 0 | 0 | 0 | 114 | S85 A86 | S85-N89 WeakPolarHBondContact O-CB 3.23Å; S85-N89 PolarHBondContact O-N 2.78Å; S85-N89 PolarHBondContact O-ND2 3.21Å; A86-N89 PolarHBondContact O-N 2.87Å |
| 90 | L | 86.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -98.8 | -21.8 | -178.8 | -52 | -179.3 | 0 | 0 | 0 | 113.2 | I48 F49 V52 A86 G92 R93 V102 | I48-L90 HydrophobicContact CG2-CD2 4.25Å; F49-L90 HydrophobicContact CB-CD1 4.41Å; F49-L90 HydrophobicContact CD1-CD1 3.66Å; F49-L90 HydrophobicContact CD2-CD1 3.76Å; F49-L90 HydrophobicContact CE1-CD1 3.66Å; F49-L90 HydrophobicContact CE2-CD1 3.79Å; F49-L90 HydrophobicContact CG-CD1 3.69Å; F49-L90 HydrophobicContact CZ-CB 4.49Å; F49-L90 HydrophobicContact CZ-CD1 3.72Å; V52-L90 HydrophobicContact CG2-CD1 4.13Å; V52-L90 HydrophobicContact CG2-CD2 3.68Å; V52-L90 HydrophobicContact CG2-CG 3.95Å; A86-L90 HydrophobicContact CB-CD1 3.81Å; A86-L90 HydrophobicContact CB-CG 4.36Å; A86-L90 WeakPolarHBondContact O-CA 3.09Å; A86-L90 WeakPolarHBondContact O-CB 3.43Å; A86-L90 VanDerWaalsContact O-CG 3.23Å; A86-L90 WeakPolarHBondContact O-CG 3.17Å; A86-L90 PolarHBondContact O-N 2.92Å; L90-G92 PolarHBondContact O-N 3.05Å; L90-R93 VanDerWaalsContact O-CB 3.31Å; L90-R93 WeakPolarHBondContact O-CB 3.31Å; L90-R93 PolarHBondContact O-N 3.04Å; L90-V102 HydrophobicContact CB-CB 4.41Å; L90-V102 HydrophobicContact CB-CG1 4.44Å; L90-V102 HydrophobicContact CB-CG2 3.83Å |
| 91 | N | 88.1 | Confident | 85.4 | Confident | 87 Ų | 87 | 69.7 Ų | 69.7 | 47% | 0.465 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 122.2 | 176.9 | -177 | 58 | 0 | 0 | 0 | 110.4 | M87 V102 | M87-N91 WeakPolarHBondContact O-CB 3.48Å; M87-N91 PolarHBondContact O-N 3.09Å; N91-V102 HydrophobicContact CB-CB 3.96Å; N91-V102 PolarHBondContact OD1-N 2.97Å; N91-V102 PolarHBondContact OD1-O 3.29Å |
| 92 | G | 84.8 | Confident | 85.6 | Confident | 41 Ų | 41 | 63.2 Ų | 63.2 | 42% | 0.423 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -6.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L90 E94 L100 | L90-G92 PolarHBondContact O-N 3.05Å; G92-E94 PolarHBondContact O-N 2.79Å; G92-L100 PolarHBondContact N-O 2.89Å |
| 93 | R | 83.9 | Confident | 85.6 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | trans | -61.7 | 125 | -178.4 | -163.9 | -155.9 | -72.6 | -118.8 | 18.7 | 109.9 | E51 L90 F95 L100 | E51-R93 IonicContact OE1-CZ 2.96Å; E51-R93 VanDerWaalsContact OE1-CZ 3.25Å; E51-R93 IonicContact OE1-NH1 3.16Å; E51-R93 PolarHBondContact OE1-NH1 3Å; E51-R93 IonicContact OE1-NH2 2.89Å; E51-R93 PolarHBondContact OE1-NH2 3.11Å; L90-R93 VanDerWaalsContact O-CB 3.31Å; L90-R93 WeakPolarHBondContact O-CB 3.31Å; L90-R93 PolarHBondContact O-N 3.04Å; R93-F95 PolarHBondContact O-N 3.29Å; R93-L100 PolarHBondContact O-N 3.29Å | ||
| 94 | E | 86.2 | Confident | 85.6 | Confident | 161 Ų | 161 | 67 Ų | 67 | 75% | 0.752 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 125.2 | 177.9 | -65 | -174.5 | 87.3 | 0 | 0 | 111.2 | G92 | G92-E94 PolarHBondContact O-N 2.79Å |
| 95 | F | 82.9 | Confident | 85.2 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 121.4 | 178 | -178.3 | -99.1 | 0 | 0 | 0 | 109.5 | P37 A40 Q44 I48 R93 G97 R98 L100 | P37-F95 HydrophobicContact CG-CD1 3.49Å; P37-F95 VanDerWaalsContact CG-CD1 3.49Å; P37-F95 HydrophobicContact CG-CE1 3.72Å; A40-F95 HydrophobicContact CB-CD1 4.43Å; A40-F95 HydrophobicContact CB-CE1 3.63Å; A40-F95 HydrophobicContact CB-CZ 4.44Å; Q44-F95 HydrophobicContact CB-CZ 4.26Å; Q44-F95 HydrophobicContact CG-CE2 3.64Å; Q44-F95 HydrophobicContact CG-CZ 3.67Å; I48-F95 HydrophobicContact CD1-CD2 3.37Å; I48-F95 HydrophobicContact CD1-CE2 3.57Å; I48-F95 HydrophobicContact CD1-CG 4.23Å; R93-F95 PolarHBondContact O-N 3.29Å; F95-G97 PolarHBondContact O-N 2.81Å; F95-R98 PolarHBondContact N-O 3.43Å; F95-R98 PolarHBondContact O-N 3.31Å; F95-R98 VanDerWaalsContact O-O 3.08Å; F95-L100 HydrophobicContact CB-CD1 3.87Å; F95-L100 HydrophobicContact CB-CD2 4.04Å; F95-L100 HydrophobicContact CB-CG 3.77Å; F95-L100 HydrophobicContact CD1-CD2 4.34Å; F95-L100 HydrophobicContact CG-CD1 4.37Å |
| 96 | S | 78.6 | Confident | 84.2 | Confident | 79 Ų | 79 | 63.5 Ų | 63.5 | 55% | 0.552 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44 | 45.1 | -171.5 | -52.7 | 0 | 0 | 0 | 0 | 114 | R98 | S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 2.85Å |
| 97 | G | 81.1 | Confident | 82.8 | Confident | 71 Ų | 71 | 66.7 Ų | 66.7 | 73% | 0.732 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 15.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F95 | F95-G97 PolarHBondContact O-N 2.81Š|
| 98 | R | 82.5 | Confident | 81.2 | Confident | 104 Ų | 104 | 72.1 Ų | 72.1 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.9 | 174.3 | -73.8 | -174.7 | 164.6 | -170.1 | -7.3 | 111.5 | F95 S96 L100 | F95-R98 PolarHBondContact N-O 3.43Å; F95-R98 PolarHBondContact O-N 3.31Å; F95-R98 VanDerWaalsContact O-O 3.08Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 2.85Å; R98-L100 PolarHBondContact O-N 2.83Å |
| 99 | A | 87 | Confident | 79.4 | Confident | 46 Ų | 46 | 71 Ų | 71 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 118.7 | 171 | 0 | 0 | 0 | 0 | 0 | 110.6 | N35 | N35-A99 PolarHBondContact ND2-O 3.25Å |
| 100 | L | 89.9 | Confident | 77.8 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 131.5 | 172.3 | -63.5 | 178.6 | 0 | 0 | 0 | 109.4 | I36 L45 G92 R93 F95 R98 V102 | I36-L100 HydrophobicContact CG1-CD2 4.25Å; L45-L100 HydrophobicContact CD2-CD1 4.24Å; L45-L100 HydrophobicContact CD2-CD2 4.36Å; G92-L100 PolarHBondContact N-O 2.89Å; R93-L100 PolarHBondContact O-N 3.29Å; F95-L100 HydrophobicContact CB-CD1 3.87Å; F95-L100 HydrophobicContact CB-CD2 4.04Å; F95-L100 HydrophobicContact CB-CG 3.77Å; F95-L100 HydrophobicContact CD1-CD2 4.34Å; F95-L100 HydrophobicContact CG-CD1 4.37Å; R98-L100 PolarHBondContact O-N 2.83Å; L100-V102 HydrophobicContact CB-CG2 4.41Å |
| 101 | R | 88.3 | Confident | 76 | Confident | 136 Ų | 136 | 71.6 Ų | 71.6 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126.4 | 171.2 | -177.2 | 176.1 | 171.5 | -160.8 | -6.4 | 108.7 | V33 G34 N35 D103 | V33-R101 CarbonylContact C-O 3.51Å; V33-R101 WeakPolarHBondContact CA-O 3.3Å; G34-R101 PolarHBondContact N-O 3.49Å; G34-R101 PolarHBondContact O-N 2.96Å; N35-R101 HydrophobicContact CB-CB 4.4Å; R101-D103 IonicContact CZ-OD2 3.53Å; R101-D103 IonicContact NE-OD2 2.72Å; R101-D103 IonicContact NH2-OD2 2.71Å; R101-D103 PolarHBondContact NH2-OD2 3.42Å |
| 102 | V | 90.1 | Very high | 74.2 | Confident | 6 Ų | 6 | 74 Ų | 74 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 119.5 | -177.6 | -169.3 | 0 | 0 | 0 | 0 | 108.7 | V31 F32 F49 M87 L90 N91 L100 | V31-V102 HydrophobicContact CG1-CG1 3.23Å; F32-V102 WeakPolarHBondContact O-CA 3.41Å; F49-V102 HydrophobicContact CE1-CG1 4.12Å; F49-V102 HydrophobicContact CZ-CG1 4.17Å; F49-V102 HydrophobicContact CZ-CG2 3.9Å; M87-V102 HydrophobicContact CG-CG1 4.12Å; L90-V102 HydrophobicContact CB-CB 4.41Å; L90-V102 HydrophobicContact CB-CG1 4.44Å; L90-V102 HydrophobicContact CB-CG2 3.83Å; N91-V102 HydrophobicContact CB-CB 3.96Å; N91-V102 PolarHBondContact OD1-N 2.97Å; N91-V102 PolarHBondContact OD1-O 3.29Å; L100-V102 HydrophobicContact CB-CG2 4.41Å |
| 103 | D | 86.8 | Confident | 72.6 | Confident | 66 Ų | 66 | 77 Ų | 77 | 35% | 0.353 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 170.8 | -167.4 | -148.7 | -56 | 0 | 0 | 0 | 109.8 | V31 F32 R101 A105 | V31-D103 CarbonylContact C-O 3.49Å; F32-D103 HydrophobicContact CB-CB 4.37Å; F32-D103 HydrophobicContact CD1-CB 3.94Å; F32-D103 PolarHBondContact N-O 3.49Å; F32-D103 PolarHBondContact O-N 2.66Å; R101-D103 IonicContact CZ-OD2 3.53Å; R101-D103 IonicContact NE-OD2 2.72Å; R101-D103 IonicContact NH2-OD2 2.71Å; R101-D103 PolarHBondContact NH2-OD2 3.42Å; D103-A105 PolarHBondContact O-N 2.95Å |
| 104 | N | 84.5 | Confident | 70.9 | Confident | 39 Ų | 39 | 75 Ų | 75 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.6 | -177.8 | -146.3 | 112.4 | 0 | 0 | 0 | 109.2 | S27 M87 A106 | S27-N104 PolarHBondContact O-ND2 3.47Å; M87-N104 HydrophobicContact CE-CB 4.36Å; M87-N104 VanDerWaalsContact CE-OD1 3.28Å; M87-N104 WeakPolarHBondContact CE-OD1 3.5Å; M87-N104 WeakPolarHBondContact SD-CA 3.28Å; M87-N104 HydrophobicContact SD-CB 3.76Å; M87-N104 PolarHBondContact SD-N 3.35Å; N104-A106 PolarHBondContact O-N 3.07Å |
| 105 | A | 77.3 | Confident | 69.2 | Low | 12 Ų | 12 | 75.2 Ų | 75.2 | 10% | 0.099 | 39% | 0.39 | C | S | . | . | trans | -77.1 | 27.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S30 F32 F74 D103 S107 | S30-A105 WeakPolarHBondContact O-CB 3.02Å; S30-A105 PolarHBondContact O-N 2.85Å; F32-A105 HydrophobicContact CB-CB 4.29Å; F74-A105 HydrophobicContact CD1-CB 3.81Å; F74-A105 HydrophobicContact CE1-CB 4.32Å; D103-A105 PolarHBondContact O-N 2.95Å; A105-S107 PolarHBondContact O-N 2.8Å | ||
| 106 | A | 66.5 | Low | 67.6 | Low | 33 Ų | 33 | 78.5 Ų | 78.5 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | trans | -59.3 | 101.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | N104 | N104-A106 PolarHBondContact O-N 3.07Š| ||
| 107 | S | 55.1 | Low | 66.3 | Low | 67 Ų | 67 | 80.4 Ų | 80.4 | 47% | 0.469 | 42% | 0.42 | S | S | . | . | trans | -56.4 | 145.3 | -174.4 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | A105 K109 N110 K111 | A105-S107 PolarHBondContact O-N 2.8Å; S107-K109 PolarHBondContact O-N 2.92Å; S107-N110 CarbonylContact O-C 3.43Å; S107-N110 WeakPolarHBondContact O-CA 3.46Å; S107-N110 PolarHBondContact O-N 3.04Å; S107-K111 PolarHBondContact O-N 3.16Å | ||
| 108 | E | 53.7 | Low | 65 | Low | 145 Ų | 145 | 80.1 Ų | 80.1 | 68% | 0.678 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.6 | -177.8 | -63.3 | -163.2 | 77.2 | 0 | 0 | 113.2 | K111 | E108-K111 WeakPolarHBondContact O-CB 3.44Å; E108-K111 IonicContact OE1-NZ 3.52Å; E108-K111 PolarHBondContact OE1-NZ 2.86Å |
| 109 | K | 48.3 | Very low | 63.4 | Low | 180 Ų | 180 | 79.8 Ų | 79.8 | 78% | 0.783 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.9 | 172.1 | -69.8 | -173.2 | 171.7 | -172.1 | 0 | 115.4 | S107 | S107-K109 PolarHBondContact O-N 2.92Š|
| 110 | N | 51.5 | Low | 61.5 | Low | 27 Ų | 27 | 79.9 Ų | 79.9 | 14% | 0.144 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -13.7 | 173.7 | -113.9 | 111.8 | 0 | 0 | 0 | 112 | S107 E112 E113 L114 | S107-N110 CarbonylContact O-C 3.43Å; S107-N110 WeakPolarHBondContact O-CA 3.46Å; S107-N110 PolarHBondContact O-N 3.04Å; N110-E112 PolarHBondContact O-N 3.43Å; N110-E113 PolarHBondContact ND2-OE1 2.76Å; N110-E113 PolarHBondContact O-N 2.79Å; N110-E113 VanDerWaalsContact O-N 3.16Å; N110-L114 HydrophobicContact CB-CD1 3.89Å; N110-L114 WeakPolarHBondContact O-CB 3.5Å; N110-L114 WeakPolarHBondContact O-CD1 3.34Å; N110-L114 PolarHBondContact O-N 3.13Å |
| 111 | K | 50 | Low | 59.1 | Low | 93 Ų | 93 | 83.7 Ų | 83.7 | 40% | 0.404 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.8 | 175.4 | -173.1 | 169.7 | 61.6 | -173.1 | 0 | 112.5 | S107 E108 K115 | S107-K111 PolarHBondContact O-N 3.16Å; E108-K111 WeakPolarHBondContact O-CB 3.44Å; E108-K111 IonicContact OE1-NZ 3.52Å; E108-K111 PolarHBondContact OE1-NZ 2.86Å; K111-K115 HydrophobicContact CG-CD 4.48Å; K111-K115 WeakPolarHBondContact O-CB 3.38Å; K111-K115 VanDerWaalsContact O-CD 3.25Å; K111-K115 WeakPolarHBondContact O-CD 3.25Å; K111-K115 PolarHBondContact O-N 2.72Å |
| 112 | E | 50.2 | Low | 56.9 | Low | 137 Ų | 137 | 81.9 Ų | 81.9 | 64% | 0.64 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -48.4 | 175.2 | -60.5 | 167.3 | 101.1 | 0 | 0 | 110.7 | N110 K115 S116 | N110-E112 PolarHBondContact O-N 3.43Å; E112-K115 VanDerWaalsContact O-CB 3.28Å; E112-K115 WeakPolarHBondContact O-CB 3.45Å; E112-K115 PolarHBondContact O-N 3.2Å; E112-S116 PolarHBondContact O-N 2.72Å; E112-S116 PolarHBondContact O-OG 3.16Å |
| 113 | E | 49.7 | Very low | 55.2 | Low | 106 Ų | 106 | 88.7 Ų | 88.7 | 50% | 0.495 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.1 | -36.9 | -178.7 | -160.9 | 170.8 | 70.9 | 0 | 0 | 112.8 | N110 K115 S116 L117 | N110-E113 PolarHBondContact ND2-OE1 2.76Å; N110-E113 PolarHBondContact O-N 2.79Å; N110-E113 VanDerWaalsContact O-N 3.16Å; E113-K115 VanDerWaalsContact C-N 3.25Å; E113-K115 PolarHBondContact O-N 3.03Å; E113-S116 WeakPolarHBondContact O-CA 3.47Å; E113-S116 WeakPolarHBondContact O-CB 3.28Å; E113-S116 PolarHBondContact O-N 3.2Å; E113-L117 PolarHBondContact O-N 2.86Å |
| 114 | L | 49.8 | Very low | 53.4 | Low | 35 Ų | 35 | 92 Ų | 92 | 18% | 0.183 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -73.1 | -12.4 | 169.4 | -81.7 | 123.2 | 0 | 0 | 0 | 113.4 | V24 L28 N110 | V24-L114 HydrophobicContact CG1-CD1 4.27Å; V24-L114 HydrophobicContact CG1-CD2 4.15Å; V24-L114 HydrophobicContact CG1-CG 4.2Å; L28-L114 HydrophobicContact CD2-CD2 3.73Å; L28-L114 HydrophobicContact CG-CD2 4.32Å; N110-L114 HydrophobicContact CB-CD1 3.89Å; N110-L114 WeakPolarHBondContact O-CB 3.5Å; N110-L114 WeakPolarHBondContact O-CD1 3.34Å; N110-L114 PolarHBondContact O-N 3.13Å |
| 115 | K | 48.8 | Very low | 51.7 | Low | 167 Ų | 167 | 98.2 Ų | 98.2 | 73% | 0.726 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -75.9 | -32.1 | 163 | -118 | 76 | -174.6 | -57.6 | 0 | 111.4 | K111 E112 E113 | K111-K115 HydrophobicContact CG-CD 4.48Å; K111-K115 WeakPolarHBondContact O-CB 3.38Å; K111-K115 VanDerWaalsContact O-CD 3.25Å; K111-K115 WeakPolarHBondContact O-CD 3.25Å; K111-K115 PolarHBondContact O-N 2.72Å; E112-K115 VanDerWaalsContact O-CB 3.28Å; E112-K115 WeakPolarHBondContact O-CB 3.45Å; E112-K115 PolarHBondContact O-N 3.2Å; E113-K115 VanDerWaalsContact C-N 3.25Å; E113-K115 PolarHBondContact O-N 3.03Å |
| 116 | S | 50.7 | Low | 50.2 | Low | 99 Ų | 99 | 101 Ų | 101 | 69% | 0.692 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -83.6 | -31.2 | -179 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | E112 E113 | E112-S116 PolarHBondContact O-N 2.72Å; E112-S116 PolarHBondContact O-OG 3.16Å; E113-S116 WeakPolarHBondContact O-CA 3.47Å; E113-S116 WeakPolarHBondContact O-CB 3.28Å; E113-S116 PolarHBondContact O-N 3.2Å |
| 117 | L | 49.8 | Very low | 49.8 | Very low | 118 Ų | 118 | 104.7 Ų | 104.7 | 62% | 0.618 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 86.1 | 168.8 | -86.1 | 77 | 0 | 0 | 0 | 110.1 | E113 T119 | E113-L117 PolarHBondContact O-N 2.86Å; L117-T119 PolarHBondContact O-N 3.29Å |
| 118 | G | 55.4 | Low | 49.9 | Very low | 65 Ų | 65 | 110.4 Ų | 110.4 | 67% | 0.67 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | 117.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 119 | T | 47.7 | Very low | 50.3 | Low | 98 Ų | 98 | 106.2 Ų | 106.2 | 60% | 0.601 | 60% | 0.601 | S | S | * | * | trans | -163.9 | 136.5 | 147.8 | -9.8 | 0 | 0 | 0 | 0 | 111.6 | R20 L117 | R20-T119 PolarHBondContact NH2-OG1 3.2Å; L117-T119 PolarHBondContact O-N 3.29Å | ||
| 120 | G | 47.3 | Very low | 51.1 | Low | 48 Ų | 48 | 105 Ų | 105 | 50% | 0.495 | 60% | 0.603 | S | S | . | * | trans | 102.4 | 29.8 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 121 | A | 39.8 | Very low | 51.8 | Low | 81 Ų | 81 | 109.2 Ų | 109.2 | 67% | 0.669 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -62 | 152 | 141.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | I123 | A121-I123 PolarHBondContact O-N 3.23Å; A121-I123 VanDerWaalsContact O-N 3.13Å |
| 122 | P | 42.6 | Very low | 52.7 | Low | 97 Ų | 97 | 108 Ų | 108 | 63% | 0.63 | 64% | 0.635 | S | S | * | * | trans | -54.8 | 127.3 | 173.2 | 23.8 | -33.4 | 0 | 0 | 0 | 108.6 | I124 | P122-I124 PolarHBondContact O-N 3.31Š| ||
| 123 | I | 53 | Low | 53.7 | Low | 149 Ų | 149 | 103.8 Ų | 103.8 | 76% | 0.764 | 62% | 0.62 | S | S | * | * | trans | -68.7 | 82.1 | 174.9 | -50 | 92.2 | 0 | 0 | 0 | 107.3 | A121 E125 | A121-I123 PolarHBondContact O-N 3.23Å; A121-I123 VanDerWaalsContact O-N 3.13Å; I123-E125 VanDerWaalsContact C-N 3.26Å; I123-E125 HydrophobicContact CG2-CB 4.36Å; I123-E125 PolarHBondContact O-N 3.21Å; I123-E125 VanDerWaalsContact O-N 3.16Å | ||
| 124 | I | 50.8 | Low | 54.6 | Low | 137 Ų | 137 | 104.3 Ų | 104.3 | 70% | 0.703 | 63% | 0.633 | S | S | * | * | trans | -57 | 109 | 138.1 | -62.1 | 155.5 | 0 | 0 | 0 | 102.8 | P122 S126 | P122-I124 PolarHBondContact O-N 3.31Å; I124-S126 PolarHBondContact O-N 2.73Å | ||
| 125 | E | 47.6 | Very low | 55.8 | Low | 169 Ų | 169 | 110.4 Ų | 110.4 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | trans | -68.2 | 73.5 | 173.2 | -170.3 | 175.7 | 98.6 | 0 | 0 | 107.2 | I123 P127 | I123-E125 VanDerWaalsContact C-N 3.26Å; I123-E125 HydrophobicContact CG2-CB 4.36Å; I123-E125 PolarHBondContact O-N 3.21Å; I123-E125 VanDerWaalsContact O-N 3.16Å; E125-P127 WeakPolarHBondContact O-CD 3.29Å; E125-P127 VanDerWaalsContact O-N 3.13Å | ||
| 126 | S | 46.1 | Very low | 57 | Low | 71 Ų | 71 | 107.3 Ų | 107.3 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | trans | -59.9 | 112.6 | 167.3 | -77.1 | 0 | 0 | 0 | 0 | 105.3 | I124 F128 G129 | I124-S126 PolarHBondContact O-N 2.73Å; S126-F128 PolarHBondContact O-N 2.69Å; S126-G129 PolarHBondContact O-N 3.36Å; S126-G129 VanDerWaalsContact O-N 3.16Å | ||
| 127 | P | 58.9 | Low | 58.2 | Low | 109 Ų | 109 | 102.9 Ų | 102.9 | 71% | 0.708 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 12.7 | -168.5 | 27.9 | -34.3 | 0 | 0 | 0 | 113.7 | E125 | E125-P127 WeakPolarHBondContact O-CD 3.29Å; E125-P127 VanDerWaalsContact O-N 3.13Å |
| 128 | F | 56.5 | Low | 59.6 | Low | 187 Ų | 187 | 99.7 Ų | 99.7 | 82% | 0.82 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | 1.5 | -176.9 | -58.3 | -70.7 | 0 | 0 | 0 | 113.6 | S126 | S126-F128 PolarHBondContact O-N 2.69Š|
| 129 | G | 62.1 | Low | 60.8 | Low | 57 Ų | 57 | 103.8 Ų | 103.8 | 59% | 0.588 | 61% | 0.606 | S | S | * | * | trans | 78.8 | -159.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | S126 | S126-G129 PolarHBondContact O-N 3.36Å; S126-G129 VanDerWaalsContact O-N 3.16Å | ||
| 130 | D | 64.9 | Low | 62.3 | Low | 156 Ų | 156 | 101.4 Ų | 101.4 | 83% | 0.834 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -76.4 | 156.2 | -179 | -151.9 | -67.8 | 0 | 0 | 0 | 112.1 | V132 | D130-V132 PolarHBondContact O-N 3.16Š|
| 131 | S | 65.8 | Low | 64 | Low | 114 Ų | 114 | 100.6 Ų | 100.6 | 80% | 0.797 | 58% | 0.578 | S | S | * | * | trans | -81.7 | 83.9 | -173.3 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 132 | V | 68.6 | Low | 65.9 | Low | 69 Ų | 69 | 98.5 Ų | 98.5 | 42% | 0.418 | 56% | 0.558 | S | S | . | * | trans | -72.5 | 138.2 | -179.9 | 69 | 0 | 0 | 0 | 0 | 113.2 | D130 E136 A137 S140 | D130-V132 PolarHBondContact O-N 3.16Å; V132-E136 HydrophobicContact CG2-CB 3.9Å; V132-A137 HydrophobicContact CG1-CB 4.03Å; V132-S140 VanDerWaalsContact CG2-OG 3.26Å; V132-S140 WeakPolarHBondContact CG2-OG 3.33Å | ||
| 133 | S | 72.7 | Confident | 67.8 | Low | 47 Ų | 47 | 103.6 Ų | 103.6 | 33% | 0.329 | 57% | 0.565 | S | S | . | * | trans | -58.7 | 143 | 170.2 | -45.7 | 0 | 0 | 0 | 0 | 111 | E135 E136 A137 | S133-E135 PolarHBondContact O-N 2.75Å; S133-E135 VanDerWaalsContact O-N 3.14Å; S133-E136 WeakPolarHBondContact CB-OE2 3.2Å; S133-E136 PolarHBondContact O-N 3.37Å; S133-E136 PolarHBondContact OG-OE2 3.46Å; S133-A137 PolarHBondContact O-N 2.81Å | ||
| 134 | P | 68.6 | Low | 69.1 | Low | 118 Ų | 118 | 99 Ų | 99 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -24.1 | -177.1 | 26.2 | -35.1 | 0 | 0 | 0 | 113.8 | ||
| 135 | E | 74.4 | Confident | 70.6 | Confident | 162 Ų | 162 | 93 Ų | 93 | 76% | 0.757 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -33.6 | 174.3 | 59.4 | -153.8 | 77 | 0 | 0 | 113.6 | S133 | S133-E135 PolarHBondContact O-N 2.75Å; S133-E135 VanDerWaalsContact O-N 3.14Å |
| 136 | E | 74.7 | Confident | 72.2 | Confident | 103 Ų | 103 | 87.7 Ų | 87.7 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -17.3 | 179 | -64.7 | 176.3 | 97.3 | 0 | 0 | 112.9 | V132 S133 P138 E139 S140 | V132-E136 HydrophobicContact CG2-CB 3.9Å; S133-E136 WeakPolarHBondContact CB-OE2 3.2Å; S133-E136 PolarHBondContact O-N 3.37Å; S133-E136 PolarHBondContact OG-OE2 3.46Å; E136-P138 VanDerWaalsContact C-CD 3.47Å; E136-E139 PolarHBondContact O-N 3.48Å; E136-S140 PolarHBondContact O-N 3.29Å; E136-S140 PolarHBondContact O-OG 3.12Å |
| 137 | A | 75.8 | Confident | 74 | Confident | 6 Ų | 6 | 88.7 Ų | 88.7 | 5% | 0.05 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -44 | -50.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V132 S133 E139 S140 I141 | V132-A137 HydrophobicContact CG1-CB 4.03Å; S133-A137 PolarHBondContact O-N 2.81Å; A137-E139 PolarHBondContact O-N 2.86Å; A137-S140 PolarHBondContact O-N 3.36Å; A137-I141 WeakPolarHBondContact O-CB 3.03Å; A137-I141 WeakPolarHBondContact O-CD1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.17Å; A137-I141 PolarHBondContact O-N 2.92Å |
| 138 | P | 78.1 | Confident | 75 | Confident | 51 Ų | 51 | 86.6 Ų | 86.6 | 33% | 0.331 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | -179.7 | 25.3 | -34.5 | 0 | 0 | 0 | 112.9 | E136 S142 Y183 | E136-P138 VanDerWaalsContact C-CD 3.47Å; P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.25Å; P138-S142 PolarHBondContact O-N 3.44Å; P138-Y183 HydrophobicContact CB-CE1 3.93Å; P138-Y183 WeakPolarHBondContact CB-OH 3.33Å |
| 139 | E | 80.6 | Confident | 76.4 | Confident | 150 Ų | 150 | 80.7 Ų | 80.7 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -71.6 | -40.7 | 177.5 | -67.7 | -161.8 | 78.9 | 0 | 0 | 111.7 | E136 A137 S142 R143 | E136-E139 PolarHBondContact O-N 3.48Å; A137-E139 PolarHBondContact O-N 2.86Å; E139-S142 PolarHBondContact O-N 3.28Å; E139-R143 VanDerWaalsContact O-CB 3.27Å; E139-R143 WeakPolarHBondContact O-CB 3.26Å; E139-R143 PolarHBondContact O-N 3.46Å |
| 140 | S | 79.3 | Confident | 77.2 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 34% | 0.343 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.5 | -60 | 0 | 0 | 0 | 0 | 112.3 | V132 E136 A137 R143 A144 | V132-S140 VanDerWaalsContact CG2-OG 3.26Å; V132-S140 WeakPolarHBondContact CG2-OG 3.33Å; E136-S140 PolarHBondContact O-N 3.29Å; E136-S140 PolarHBondContact O-OG 3.12Å; A137-S140 PolarHBondContact O-N 3.36Å; S140-R143 PolarHBondContact O-N 2.86Å; S140-A144 VanDerWaalsContact O-CB 3.25Å; S140-A144 WeakPolarHBondContact O-CB 3.48Å; S140-A144 PolarHBondContact O-N 2.84Å |
| 141 | I | 82.8 | Confident | 78.3 | Confident | 30 Ų | 30 | 82.3 Ų | 82.3 | 15% | 0.154 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 174.2 | -64.9 | 159.9 | 0 | 0 | 0 | 110.4 | A137 R143 A144 V145 Y183 A184 | A137-I141 WeakPolarHBondContact O-CB 3.03Å; A137-I141 WeakPolarHBondContact O-CD1 3.27Å; A137-I141 WeakPolarHBondContact O-CG1 3.17Å; A137-I141 PolarHBondContact O-N 2.92Å; I141-R143 VanDerWaalsContact C-N 3.34Å; I141-R143 PolarHBondContact O-N 3.32Å; I141-A144 PolarHBondContact O-N 3.25Å; I141-V145 HydrophobicContact CG2-CG2 4.24Å; I141-V145 WeakPolarHBondContact O-CB 3.43Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.16Å; I141-V145 PolarHBondContact O-N 2.97Å; I141-Y183 HydrophobicContact CB-CD1 4.17Å; I141-Y183 HydrophobicContact CB-CE1 4.35Å; I141-Y183 HydrophobicContact CD1-CD1 4.03Å; I141-Y183 HydrophobicContact CG2-CD1 3.86Å; I141-Y183 HydrophobicContact CG2-CE1 4.34Å; I141-A184 HydrophobicContact CG2-CB 3.73Å |
| 142 | S | 80.9 | Confident | 79.2 | Confident | 37 Ų | 37 | 82.2 Ų | 82.2 | 26% | 0.259 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 175.8 | -175.6 | 0 | 0 | 0 | 0 | 112 | P138 E139 A146 Q187 | P138-S142 VanDerWaalsContact O-CB 3.28Å; P138-S142 WeakPolarHBondContact O-CB 3.25Å; P138-S142 PolarHBondContact O-N 3.44Å; E139-S142 PolarHBondContact O-N 3.28Å; S142-A146 WeakPolarHBondContact O-CB 3.46Å; S142-A146 PolarHBondContact O-N 3.19Å; S142-Q187 PolarHBondContact OG-NE2 2.86Å |
| 143 | R | 81.7 | Confident | 79.8 | Confident | 205 Ų | 205 | 79.6 Ų | 79.6 | 77% | 0.774 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.2 | -43.7 | 176.1 | -173.6 | 176.4 | -176.7 | 169.9 | 0.6 | 112.2 | E139 S140 I141 A146 S147 | E139-R143 VanDerWaalsContact O-CB 3.27Å; E139-R143 WeakPolarHBondContact O-CB 3.26Å; E139-R143 PolarHBondContact O-N 3.46Å; S140-R143 PolarHBondContact O-N 2.86Å; I141-R143 VanDerWaalsContact C-N 3.34Å; I141-R143 PolarHBondContact O-N 3.32Å; R143-A146 PolarHBondContact O-N 3.1Å; R143-S147 VanDerWaalsContact O-CB 3.29Å; R143-S147 WeakPolarHBondContact O-CB 3.48Å; R143-S147 PolarHBondContact O-N 3.43Å; R143-S147 PolarHBondContact O-OG 3.04Å |
| 144 | A | 80.9 | Confident | 80.4 | Confident | 53 Ų | 53 | 83.4 Ų | 83.4 | 44% | 0.438 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61.3 | -51.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S140 I141 A146 S147 L148 | S140-A144 VanDerWaalsContact O-CB 3.25Å; S140-A144 WeakPolarHBondContact O-CB 3.48Å; S140-A144 PolarHBondContact O-N 2.84Å; I141-A144 PolarHBondContact O-N 3.25Å; A144-A146 PolarHBondContact O-N 2.94Å; A144-S147 PolarHBondContact O-N 3.29Å; A144-S147 VanDerWaalsContact O-N 3.12Å; A144-S147 PolarHBondContact O-OG 3.04Å; A144-L148 PolarHBondContact O-N 3.03Å |
| 145 | V | 82.2 | Confident | 81.3 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 6% | 0.055 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 177.3 | 172.5 | 0 | 0 | 0 | 0 | 111.4 | I141 S147 L148 M153 A184 Q187 A188 | I141-V145 HydrophobicContact CG2-CG2 4.24Å; I141-V145 WeakPolarHBondContact O-CB 3.43Å; I141-V145 VanDerWaalsContact O-CG2 3.31Å; I141-V145 WeakPolarHBondContact O-CG2 3.16Å; I141-V145 PolarHBondContact O-N 2.97Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 3.49Å; V145-L148 PolarHBondContact O-N 2.71Å; V145-M153 HydrophobicContact CG1-SD 4.28Å; V145-M153 WeakPolarHBondContact O-CE 3.3Å; V145-A184 HydrophobicContact CG2-CB 4.09Å; V145-Q187 HydrophobicContact CB-CG 4.36Å; V145-Q187 HydrophobicContact CG1-CG 4.32Å; V145-A188 HydrophobicContact CG1-CB 3.83Å |
| 146 | A | 80.8 | Confident | 81.9 | Confident | 59 Ų | 59 | 76.7 Ų | 76.7 | 49% | 0.488 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.6 | -21.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S142 R143 A144 | S142-A146 WeakPolarHBondContact O-CB 3.46Å; S142-A146 PolarHBondContact O-N 3.19Å; R143-A146 PolarHBondContact O-N 3.1Å; A144-A146 PolarHBondContact O-N 2.94Å |
| 147 | S | 83.4 | Confident | 82.4 | Confident | 91 Ų | 91 | 73 Ų | 73 | 64% | 0.636 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -82.8 | -15.9 | 175.7 | 73.8 | 0 | 0 | 0 | 0 | 114 | R143 A144 V145 | R143-S147 VanDerWaalsContact O-CB 3.29Å; R143-S147 WeakPolarHBondContact O-CB 3.48Å; R143-S147 PolarHBondContact O-N 3.43Å; R143-S147 PolarHBondContact O-OG 3.04Å; A144-S147 PolarHBondContact O-N 3.29Å; A144-S147 VanDerWaalsContact O-N 3.12Å; A144-S147 PolarHBondContact O-OG 3.04Å; V145-S147 VanDerWaalsContact C-N 3.26Å; V145-S147 PolarHBondContact O-N 3.49Å |
| 148 | L | 80.3 | Confident | 82.9 | Confident | 66 Ų | 66 | 77.7 Ų | 77.7 | 35% | 0.346 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -68.3 | 143.1 | 175.7 | -67.5 | 173.2 | 0 | 0 | 0 | 110.4 | A144 V145 Q152 M153 | A144-L148 PolarHBondContact O-N 3.03Å; V145-L148 PolarHBondContact O-N 2.71Å; L148-Q152 HydrophobicContact CB-CB 4.45Å; L148-M153 HydrophobicContact CB-CE 4.32Å; L148-M153 HydrophobicContact CB-CG 3.85Å; L148-M153 HydrophobicContact CD1-CG 4.4Å; L148-M153 WeakPolarHBondContact O-CE 3.4Å |
| 149 | P | 85.3 | Confident | 83.4 | Confident | 62 Ų | 62 | 81 Ų | 81 | 40% | 0.403 | 42% | 0.424 | S | S | . | . | trans | -64.3 | 150.7 | 167.9 | 29.1 | -34.2 | 0 | 0 | 0 | 110 | E151 Q152 M153 | P149-E151 PolarHBondContact O-N 3.39Å; P149-E151 VanDerWaalsContact O-N 3.1Å; P149-Q152 HydrophobicContact CG-CB 4.04Å; P149-Q152 HydrophobicContact CG-CG 3.64Å; P149-Q152 PolarHBondContact O-N 3.31Å; P149-M153 PolarHBondContact O-N 3.07Å | ||
| 150 | P | 80.2 | Confident | 83.8 | Confident | 98 Ų | 98 | 75.2 Ų | 75.2 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.2 | -28.7 | -174.8 | 23.5 | -34.2 | 0 | 0 | 0 | 113.1 | M153 F154 | P150-M153 PolarHBondContact O-N 2.67Å; P150-F154 WeakPolarHBondContact O-CB 3.06Å; P150-F154 PolarHBondContact O-N 3.45Å |
| 151 | E | 86.7 | Confident | 84.2 | Confident | 149 Ų | 149 | 80.3 Ų | 80.3 | 70% | 0.696 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 175.2 | -61.3 | 176 | 100.3 | 0 | 0 | 112.1 | P149 F154 E155 | P149-E151 PolarHBondContact O-N 3.39Å; P149-E151 VanDerWaalsContact O-N 3.1Å; E151-F154 WeakPolarHBondContact O-CB 3.48Å; E151-F154 PolarHBondContact O-N 3.26Å; E151-E155 PolarHBondContact O-N 3.17Å |
| 152 | Q | 84.9 | Confident | 84.5 | Confident | 113 Ų | 113 | 82.8 Ų | 82.8 | 53% | 0.528 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 178.4 | -71.2 | -67.6 | 95.6 | 0 | 0 | 111.6 | L148 P149 F154 L156 | L148-Q152 HydrophobicContact CB-CB 4.45Å; P149-Q152 HydrophobicContact CG-CB 4.04Å; P149-Q152 HydrophobicContact CG-CG 3.64Å; P149-Q152 PolarHBondContact O-N 3.31Å; Q152-F154 VanDerWaalsContact C-N 3.3Å; Q152-F154 PolarHBondContact O-N 3.44Å; Q152-L156 WeakPolarHBondContact O-CB 3.36Å; Q152-L156 PolarHBondContact O-N 3.05Å |
| 153 | M | 82.4 | Confident | 84.8 | Confident | 13 Ų | 13 | 82.4 Ų | 82.4 | 6% | 0.064 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.3 | -36 | 173.3 | -53.6 | -168.8 | -143.5 | 0 | 0 | 111.6 | V145 L148 P149 P150 L156 M157 V191 M192 | V145-M153 HydrophobicContact CG1-SD 4.28Å; V145-M153 WeakPolarHBondContact O-CE 3.3Å; L148-M153 HydrophobicContact CB-CE 4.32Å; L148-M153 HydrophobicContact CB-CG 3.85Å; L148-M153 HydrophobicContact CD1-CG 4.4Å; L148-M153 WeakPolarHBondContact O-CE 3.4Å; P149-M153 PolarHBondContact O-N 3.07Å; P150-M153 PolarHBondContact O-N 2.67Å; M153-L156 PolarHBondContact O-N 2.96Å; M153-M157 WeakPolarHBondContact O-CG 3.28Å; M153-M157 PolarHBondContact O-N 2.94Å; M153-V191 HydrophobicContact CE-CG1 4.04Å; M153-V191 HydrophobicContact SD-CG1 4.08Å; M153-M192 HydrophobicContact CB-CE 3.3Å; M153-M192 VanDerWaalsContact O-CE 3.3Å; M153-M192 WeakPolarHBondContact O-CE 3.35Å |
| 154 | F | 84.4 | Confident | 85.3 | Confident | 128 Ų | 128 | 76 Ų | 76 | 56% | 0.561 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.5 | -45.2 | 177.6 | -176 | -94.9 | 0 | 0 | 0 | 112 | P150 E151 Q152 L156 M157 K158 M192 | P150-F154 WeakPolarHBondContact O-CB 3.06Å; P150-F154 PolarHBondContact O-N 3.45Å; E151-F154 WeakPolarHBondContact O-CB 3.48Å; E151-F154 PolarHBondContact O-N 3.26Å; Q152-F154 VanDerWaalsContact C-N 3.3Å; Q152-F154 PolarHBondContact O-N 3.44Å; F154-L156 VanDerWaalsContact C-N 3.31Å; F154-L156 PolarHBondContact O-N 3.41Å; F154-M157 PolarHBondContact O-N 2.9Å; F154-K158 VanDerWaalsContact O-CB 3.31Å; F154-K158 WeakPolarHBondContact O-CB 3.4Å; F154-K158 PolarHBondContact O-N 2.93Å; F154-M192 HydrophobicContact CB-CE 4.46Å |
| 155 | E | 87.4 | Confident | 85.8 | Confident | 82 Ų | 82 | 80.8 Ų | 80.8 | 38% | 0.383 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 174.5 | -71.9 | -62.4 | 113.7 | 0 | 0 | 111.8 | E151 K158 Q159 | E151-E155 PolarHBondContact O-N 3.17Å; E155-K158 PolarHBondContact O-N 3.19Å; E155-K158 WeakPolarHBondContact OE1-CD 3.47Å; E155-K158 WeakPolarHBondContact OE1-CE 3.34Å; E155-K158 IonicContact OE1-NZ 2.67Å; E155-K158 PolarHBondContact OE1-NZ 3.04Å; E155-K158 WeakPolarHBondContact OE2-CD 3.19Å; E155-K158 IonicContact OE2-NZ 2.83Å; E155-K158 PolarHBondContact OE2-NZ 2.83Å; E155-Q159 VanDerWaalsContact O-CB 3.32Å; E155-Q159 WeakPolarHBondContact O-CB 3.31Å; E155-Q159 PolarHBondContact O-N 3.14Å |
| 156 | L | 86.9 | Confident | 86.3 | Confident | 56 Ų | 56 | 85.7 Ų | 85.7 | 29% | 0.293 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 171.4 | 176.5 | 66.3 | 0 | 0 | 0 | 112.1 | Q152 M153 F154 M160 L185 | Q152-L156 WeakPolarHBondContact O-CB 3.36Å; Q152-L156 PolarHBondContact O-N 3.05Å; M153-L156 PolarHBondContact O-N 2.96Å; F154-L156 VanDerWaalsContact C-N 3.31Å; F154-L156 PolarHBondContact O-N 3.41Å; L156-M160 WeakPolarHBondContact O-CB 3.3Å; L156-M160 PolarHBondContact O-N 3.46Å; L156-L185 HydrophobicContact CD1-CD2 3.96Å; L156-L185 HydrophobicContact CD2-CD2 4.17Å; L156-L185 HydrophobicContact CG-CD2 3.83Å |
| 157 | M | 85.6 | Confident | 87 | Confident | 26 Ų | 26 | 85 Ų | 85 | 13% | 0.128 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 176.6 | -73.4 | -62.9 | 102.4 | 0 | 0 | 112.9 | M153 F154 K161 L185 A188 Q189 M192 | M153-M157 WeakPolarHBondContact O-CG 3.28Å; M153-M157 PolarHBondContact O-N 2.94Å; F154-M157 PolarHBondContact O-N 2.9Å; M157-K161 WeakPolarHBondContact O-CB 3.43Å; M157-K161 PolarHBondContact O-N 2.86Å; M157-L185 HydrophobicContact CE-CB 4Å; M157-L185 HydrophobicContact CE-CD2 3.38Å; M157-L185 HydrophobicContact CE-CG 4.3Å; M157-L185 WeakPolarHBondContact CE-O 3.47Å; M157-A188 HydrophobicContact CE-CB 3.94Å; M157-Q189 HydrophobicContact CE-CG 4.49Å; M157-Q189 HydrophobicContact SD-CG 3.55Å; M157-Q189 VanDerWaalsContact SD-CG 3.55Å; M157-M192 HydrophobicContact CG-CE 3.84Å; M157-M192 HydrophobicContact CG-SD 4.16Å |
| 158 | K | 87 | Confident | 87.3 | Confident | 105 Ų | 105 | 84.2 Ų | 84.2 | 46% | 0.457 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 176.9 | 173.6 | -165.9 | 174.9 | -166.4 | 0 | 111.4 | F154 E155 M160 K161 L162 | F154-K158 VanDerWaalsContact O-CB 3.31Å; F154-K158 WeakPolarHBondContact O-CB 3.4Å; F154-K158 PolarHBondContact O-N 2.93Å; E155-K158 PolarHBondContact O-N 3.19Å; E155-K158 WeakPolarHBondContact OE1-CD 3.47Å; E155-K158 WeakPolarHBondContact OE1-CE 3.34Å; E155-K158 IonicContact OE1-NZ 2.67Å; E155-K158 PolarHBondContact OE1-NZ 3.04Å; E155-K158 WeakPolarHBondContact OE2-CD 3.19Å; E155-K158 IonicContact OE2-NZ 2.83Å; E155-K158 PolarHBondContact OE2-NZ 2.83Å; K158-M160 VanDerWaalsContact C-N 3.33Å; K158-M160 PolarHBondContact O-N 3.43Å; K158-K161 PolarHBondContact O-N 3.34Å; K158-L162 WeakPolarHBondContact O-CB 3.32Å; K158-L162 PolarHBondContact O-N 3.02Å |
| 159 | Q | 88.1 | Confident | 87.8 | Confident | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 177.1 | -170.7 | 62.3 | 21.2 | 0 | 0 | 111.2 | E155 L162 C163 | E155-Q159 VanDerWaalsContact O-CB 3.32Å; E155-Q159 WeakPolarHBondContact O-CB 3.31Å; E155-Q159 PolarHBondContact O-N 3.14Å; Q159-L162 PolarHBondContact O-N 3.2Å; Q159-C163 WeakPolarHBondContact O-CB 3.42Å; Q159-C163 PolarHBondContact O-N 2.99Å |
| 160 | M | 88.4 | Confident | 87.9 | Confident | 27 Ų | 27 | 92.2 Ų | 92.2 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 174.1 | -175.1 | 52.4 | 47.6 | 0 | 0 | 112.2 | L156 K158 L162 C163 V164 M174 L175 L181 L185 | L156-M160 WeakPolarHBondContact O-CB 3.3Å; L156-M160 PolarHBondContact O-N 3.46Å; K158-M160 VanDerWaalsContact C-N 3.33Å; K158-M160 PolarHBondContact O-N 3.43Å; M160-L162 VanDerWaalsContact C-N 3.34Å; M160-L162 PolarHBondContact O-N 2.95Å; M160-C163 PolarHBondContact O-N 3.4Å; M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 3.11Å; M160-V164 HydrophobicContact SD-CG2 4.47Å; M160-M174 HydrophobicContact CE-CE 3.5Å; M160-M174 HydrophobicContact SD-CE 4.25Å; M160-L175 HydrophobicContact CE-CD1 4.47Å; M160-L175 HydrophobicContact SD-CD1 3.71Å; M160-L181 HydrophobicContact CE-CD2 4.48Å; M160-L185 HydrophobicContact CB-CD2 4.03Å; M160-L185 HydrophobicContact CE-CD1 3.42Å; M160-L185 VanDerWaalsContact CE-CD1 3.42Å; M160-L185 HydrophobicContact CE-CD2 4.03Å; M160-L185 HydrophobicContact CE-CG 4.36Å; M160-L185 HydrophobicContact CG-CD1 4Å; M160-L185 HydrophobicContact CG-CD2 4.03Å; M160-L185 HydrophobicContact SD-CD1 3.88Å |
| 161 | K | 87.4 | Confident | 88.3 | Confident | 157 Ų | 157 | 87.6 Ų | 87.6 | 68% | 0.683 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 176.1 | -176.1 | 176.7 | -67.4 | 179.8 | 0 | 112.1 | M157 K158 V164 Q165 | M157-K161 WeakPolarHBondContact O-CB 3.43Å; M157-K161 PolarHBondContact O-N 2.86Å; K158-K161 PolarHBondContact O-N 3.34Å; K161-V164 PolarHBondContact O-N 3.19Å; K161-Q165 WeakPolarHBondContact O-CB 3.37Å; K161-Q165 PolarHBondContact O-N 3.41Å |
| 162 | L | 90.5 | Very high | 88.3 | Confident | 81 Ų | 81 | 89.6 Ų | 89.6 | 42% | 0.424 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 177.5 | -173.1 | 67.8 | 0 | 0 | 0 | 111.6 | K158 Q159 M160 Q165 N166 | K158-L162 WeakPolarHBondContact O-CB 3.32Å; K158-L162 PolarHBondContact O-N 3.02Å; Q159-L162 PolarHBondContact O-N 3.2Å; M160-L162 VanDerWaalsContact C-N 3.34Å; M160-L162 PolarHBondContact O-N 2.95Å; L162-Q165 PolarHBondContact O-N 2.94Å; L162-N166 VanDerWaalsContact CD1-ND2 3.31Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.48Å; L162-N166 PolarHBondContact O-N 3.39Å; L162-N166 PolarHBondContact O-ND2 3.2Å |
| 163 | C | 87.1 | Confident | 88.4 | Confident | 29 Ų | 29 | 88.2 Ų | 88.2 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -59.3 | -48 | 174.2 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | Q159 M160 Q165 N166 S167 | Q159-C163 WeakPolarHBondContact O-CB 3.42Å; Q159-C163 PolarHBondContact O-N 2.99Å; M160-C163 PolarHBondContact O-N 3.4Å; C163-Q165 VanDerWaalsContact C-N 3.31Å; C163-Q165 PolarHBondContact O-N 2.94Å; C163-N166 PolarHBondContact O-N 3.46Å; C163-S167 CarbonylContact O-C 3.57Å; C163-S167 WeakPolarHBondContact O-CA 3.38Å; C163-S167 PolarHBondContact O-N 3.21Å |
| 164 | V | 91.6 | Very high | 88.4 | Confident | 72 Ų | 72 | 90.3 Ų | 90.3 | 44% | 0.436 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63 | -35.4 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 112.4 | M160 K161 P168 A171 | M160-V164 WeakPolarHBondContact O-CG2 3.31Å; M160-V164 PolarHBondContact O-N 3.11Å; M160-V164 HydrophobicContact SD-CG2 4.47Å; K161-V164 PolarHBondContact O-N 3.19Å; V164-P168 WeakPolarHBondContact O-CB 3.47Å; V164-A171 HydrophobicContact CB-CB 4.43Å; V164-A171 HydrophobicContact CG2-CB 3.74Å |
| 165 | Q | 91.3 | Very high | 88.6 | Confident | 152 Ų | 152 | 86.8 Ų | 86.8 | 71% | 0.71 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -73.7 | -37 | -179.1 | -177.1 | 170.6 | 76.6 | 0 | 0 | 113.3 | K161 L162 C163 | K161-Q165 WeakPolarHBondContact O-CB 3.37Å; K161-Q165 PolarHBondContact O-N 3.41Å; L162-Q165 PolarHBondContact O-N 2.94Å; C163-Q165 VanDerWaalsContact C-N 3.31Å; C163-Q165 PolarHBondContact O-N 2.94Å |
| 166 | N | 93.8 | Very high | 88.4 | Confident | 112 Ų | 112 | 89.6 Ų | 89.6 | 60% | 0.599 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -86.4 | -44.3 | 179.4 | -70.9 | -87.7 | 0 | 0 | 0 | 112.1 | L162 C163 | L162-N166 VanDerWaalsContact CD1-ND2 3.31Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.48Å; L162-N166 PolarHBondContact O-N 3.39Å; L162-N166 PolarHBondContact O-ND2 3.2Å; C163-N166 PolarHBondContact O-N 3.46Å |
| 167 | S | 93.7 | Very high | 88.4 | Confident | 46 Ų | 46 | 93.2 Ų | 93.2 | 32% | 0.322 | 46% | 0.457 | S | S | . | . | trans | -132.9 | 69.1 | -170.4 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | C163 Q169 E170 A171 | C163-S167 CarbonylContact O-C 3.57Å; C163-S167 WeakPolarHBondContact O-CA 3.38Å; C163-S167 PolarHBondContact O-N 3.21Å; S167-Q169 VanDerWaalsContact C-N 3.29Å; S167-Q169 PolarHBondContact O-N 3.41Å; S167-E170 WeakPolarHBondContact CB-OE1 3.38Å; S167-E170 PolarHBondContact O-N 3.17Å; S167-A171 WeakPolarHBondContact O-CB 3.48Å; S167-A171 PolarHBondContact O-N 3.45Å | ||
| 168 | P | 90.2 | Very high | 88.2 | Confident | 73 Ų | 73 | 95.3 Ų | 95.3 | 47% | 0.474 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -29.4 | -172.9 | 23.4 | -34.3 | 0 | 0 | 0 | 114.2 | V164 R172 | V164-P168 WeakPolarHBondContact O-CB 3.47Å; P168-R172 VanDerWaalsContact O-CG 3.28Å; P168-R172 WeakPolarHBondContact O-CG 3.36Å; P168-R172 PolarHBondContact O-N 3.44Å |
| 169 | Q | 90.3 | Very high | 88 | Confident | 171 Ų | 171 | 94.5 Ų | 94.5 | 80% | 0.799 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -75.1 | -42.7 | 176.5 | -65.9 | -170.9 | -3.8 | 0 | 0 | 112 | S167 R172 N173 | S167-Q169 VanDerWaalsContact C-N 3.29Å; S167-Q169 PolarHBondContact O-N 3.41Å; Q169-R172 PolarHBondContact O-N 2.88Å; Q169-N173 PolarHBondContact O-N 2.97Å |
| 170 | E | 88.1 | Confident | 87.8 | Confident | 126 Ų | 126 | 94.1 Ų | 94.1 | 59% | 0.589 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 176.8 | -173.9 | 173.8 | 67.1 | 0 | 0 | 111.2 | S167 R172 N173 M174 | S167-E170 WeakPolarHBondContact CB-OE1 3.38Å; S167-E170 PolarHBondContact O-N 3.17Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 3.23Å; E170-N173 PolarHBondContact O-N 3.37Å; E170-N173 VanDerWaalsContact O-N 3.13Å; E170-M174 WeakPolarHBondContact O-CB 3.15Å; E170-M174 PolarHBondContact O-N 2.96Å |
| 171 | A | 88.6 | Confident | 87.7 | Confident | 1 Ų | 1 | 95.3 Ų | 95.3 | 1% | 0.008 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -55.3 | -47.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | V164 S167 N173 M174 L175 | V164-A171 HydrophobicContact CB-CB 4.43Å; V164-A171 HydrophobicContact CG2-CB 3.74Å; S167-A171 WeakPolarHBondContact O-CB 3.48Å; S167-A171 PolarHBondContact O-N 3.45Å; A171-N173 PolarHBondContact O-N 3.47Å; A171-M174 PolarHBondContact O-N 2.95Å; A171-L175 WeakPolarHBondContact O-CD1 3.31Å; A171-L175 PolarHBondContact O-N 3.37Å |
| 172 | R | 86.1 | Confident | 87.6 | Confident | 190 Ų | 190 | 89.4 Ų | 89.4 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.5 | -45.7 | 175.8 | -72.8 | 179.5 | 97.4 | 175.1 | 8.1 | 111.8 | P168 Q169 E170 M174 L175 L176 | P168-R172 VanDerWaalsContact O-CG 3.28Å; P168-R172 WeakPolarHBondContact O-CG 3.36Å; P168-R172 PolarHBondContact O-N 3.44Å; Q169-R172 PolarHBondContact O-N 2.88Å; E170-R172 VanDerWaalsContact C-N 3.32Å; E170-R172 PolarHBondContact O-N 3.23Å; R172-M174 VanDerWaalsContact C-N 3.35Å; R172-M174 PolarHBondContact O-N 3.18Å; R172-L175 PolarHBondContact O-N 2.92Å; R172-L176 WeakPolarHBondContact O-CB 3.49Å; R172-L176 WeakPolarHBondContact O-CD1 3.49Å; R172-L176 PolarHBondContact O-N 3.29Å |
| 173 | N | 87.6 | Confident | 87.4 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 45% | 0.449 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 177.6 | -172.1 | 63.1 | 0 | 0 | 0 | 111.9 | Q169 E170 A171 L176 Q177 | Q169-N173 PolarHBondContact O-N 2.97Å; E170-N173 PolarHBondContact O-N 3.37Å; E170-N173 VanDerWaalsContact O-N 3.13Å; A171-N173 PolarHBondContact O-N 3.47Å; N173-L176 PolarHBondContact O-N 3.46Å; N173-Q177 VanDerWaalsContact ND2-CD 3.28Å; N173-Q177 PolarHBondContact ND2-NE2 3.17Å; N173-Q177 PolarHBondContact ND2-OE1 3.06Å; N173-Q177 WeakPolarHBondContact O-CB 3.39Å; N173-Q177 WeakPolarHBondContact O-CG 3.37Å; N173-Q177 PolarHBondContact O-N 2.94Å |
| 174 | M | 83 | Confident | 87.3 | Confident | 58 Ų | 58 | 87.9 Ų | 87.9 | 29% | 0.286 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 177.1 | -174 | -173.9 | 66.6 | 0 | 0 | 112 | M160 E170 A171 R172 N178 L181 | M160-M174 HydrophobicContact CE-CE 3.5Å; M160-M174 HydrophobicContact SD-CE 4.25Å; E170-M174 WeakPolarHBondContact O-CB 3.15Å; E170-M174 PolarHBondContact O-N 2.96Å; A171-M174 PolarHBondContact O-N 2.95Å; R172-M174 VanDerWaalsContact C-N 3.35Å; R172-M174 PolarHBondContact O-N 3.18Å; M174-N178 WeakPolarHBondContact O-CB 3.42Å; M174-N178 PolarHBondContact O-N 3.29Å; M174-N178 PolarHBondContact O-ND2 3.47Å; M174-L181 HydrophobicContact CE-CD2 3.9Å; M174-L181 HydrophobicContact CG-CD2 4.24Å; M174-L181 HydrophobicContact SD-CD2 4.15Å |
| 175 | L | 87.5 | Confident | 87 | Confident | 54 Ų | 54 | 84.7 Ų | 84.7 | 28% | 0.283 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.1 | -33.8 | 175.3 | -84.7 | 97.2 | 0 | 0 | 0 | 113 | M160 A171 R172 A182 L185 | M160-L175 HydrophobicContact CE-CD1 4.47Å; M160-L175 HydrophobicContact SD-CD1 3.71Å; A171-L175 WeakPolarHBondContact O-CD1 3.31Å; A171-L175 PolarHBondContact O-N 3.37Å; R172-L175 PolarHBondContact O-N 2.92Å; L175-A182 HydrophobicContact CB-CB 4.47Å; L175-A182 HydrophobicContact CD2-CB 4.08Å; L175-A182 HydrophobicContact CG-CB 4.44Å; L175-L185 HydrophobicContact CD2-CD1 4.3Å |
| 176 | L | 84.4 | Confident | 86.7 | Confident | 140 Ų | 140 | 78.7 Ų | 78.7 | 73% | 0.733 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -72.2 | -38.5 | 176.4 | -96 | 71.5 | 0 | 0 | 0 | 112.3 | R172 N173 | R172-L176 WeakPolarHBondContact O-CB 3.49Å; R172-L176 WeakPolarHBondContact O-CD1 3.49Å; R172-L176 PolarHBondContact O-N 3.29Å; N173-L176 PolarHBondContact O-N 3.46Å |
| 177 | Q | 85.1 | Confident | 86.2 | Confident | 132 Ų | 132 | 75.1 Ų | 75.1 | 62% | 0.617 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -76.7 | -26.5 | 178.7 | -71.6 | -176.3 | -14.8 | 0 | 0 | 112.9 | N173 P179 | N173-Q177 VanDerWaalsContact ND2-CD 3.28Å; N173-Q177 PolarHBondContact ND2-NE2 3.17Å; N173-Q177 PolarHBondContact ND2-OE1 3.06Å; N173-Q177 WeakPolarHBondContact O-CB 3.39Å; N173-Q177 WeakPolarHBondContact O-CG 3.37Å; N173-Q177 PolarHBondContact O-N 2.94Å; Q177-P179 VanDerWaalsContact O-CD 3.31Å; Q177-P179 WeakPolarHBondContact O-CD 3.39Å |
| 178 | N | 83.1 | Confident | 85.7 | Confident | 71 Ų | 71 | 73 Ų | 73 | 38% | 0.38 | 37% | 0.366 | S | S | . | . | trans | -120.1 | 76.3 | -176.2 | -58.3 | -85.1 | 0 | 0 | 0 | 110.9 | M174 Q180 L181 A182 | M174-N178 WeakPolarHBondContact O-CB 3.42Å; M174-N178 PolarHBondContact O-N 3.29Å; M174-N178 PolarHBondContact O-ND2 3.47Å; N178-Q180 PolarHBondContact O-N 3.25Å; N178-L181 HydrophobicContact CB-CB 3.91Å; N178-L181 WeakPolarHBondContact O-CB 3.35Å; N178-L181 PolarHBondContact O-N 3.47Å; N178-A182 PolarHBondContact O-N 3.44Å; N178-A182 VanDerWaalsContact O-N 3.17Å | ||
| 179 | P | 82.4 | Confident | 85.4 | Confident | 88 Ų | 88 | 72.2 Ų | 72.2 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.2 | -31.1 | -177.9 | 24.3 | -34.2 | 0 | 0 | 0 | 112.9 | Q177 L181 A182 Y183 | Q177-P179 VanDerWaalsContact O-CD 3.31Å; Q177-P179 WeakPolarHBondContact O-CD 3.39Å; P179-L181 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 3.23Å; P179-A182 PolarHBondContact O-N 2.86Å; P179-Y183 WeakPolarHBondContact O-CB 3.39Å; P179-Y183 PolarHBondContact O-N 3.02Å |
| 180 | Q | 84.2 | Confident | 85.1 | Confident | 112 Ų | 112 | 65.2 Ų | 65.2 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 175.3 | -55.5 | -62.1 | 7 | 0 | 0 | 112.1 | N178 Y183 A184 | N178-Q180 PolarHBondContact O-N 3.25Å; Q180-Y183 PolarHBondContact O-N 3.46Å; Q180-A184 WeakPolarHBondContact O-CB 3.42Å; Q180-A184 PolarHBondContact O-N 2.97Å |
| 181 | L | 86 | Confident | 84.7 | Confident | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.277 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 175 | 175.4 | 61.3 | 0 | 0 | 0 | 110.6 | M160 M174 N178 P179 Y183 A184 L185 | M160-L181 HydrophobicContact CE-CD2 4.48Å; M174-L181 HydrophobicContact CE-CD2 3.9Å; M174-L181 HydrophobicContact CG-CD2 4.24Å; M174-L181 HydrophobicContact SD-CD2 4.15Å; N178-L181 HydrophobicContact CB-CB 3.91Å; N178-L181 WeakPolarHBondContact O-CB 3.35Å; N178-L181 PolarHBondContact O-N 3.47Å; P179-L181 VanDerWaalsContact C-N 3.33Å; P179-L181 PolarHBondContact O-N 3.23Å; L181-Y183 VanDerWaalsContact C-N 3.29Å; L181-Y183 PolarHBondContact O-N 3.35Å; L181-A184 PolarHBondContact O-N 3.34Å; L181-L185 HydrophobicContact CD1-CD1 4Å; L181-L185 HydrophobicContact CD1-CD2 4.45Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CG-CD1 3.87Å; L181-L185 HydrophobicContact CG-CG 4.41Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 WeakPolarHBondContact O-CD1 3.49Å; L181-L185 WeakPolarHBondContact O-CG 3.31Å; L181-L185 PolarHBondContact O-N 2.92Å |
| 182 | A | 85.6 | Confident | 84.2 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 26% | 0.264 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.1 | -41.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L175 N178 P179 L186 | L175-A182 HydrophobicContact CB-CB 4.47Å; L175-A182 HydrophobicContact CD2-CB 4.08Å; L175-A182 HydrophobicContact CG-CB 4.44Å; N178-A182 PolarHBondContact O-N 3.44Å; N178-A182 VanDerWaalsContact O-N 3.17Å; P179-A182 PolarHBondContact O-N 2.86Å; A182-L186 PolarHBondContact O-N 2.99Å |
| 183 | Y | 84.9 | Confident | 83.8 | Confident | 61 Ų | 61 | 65.8 Ų | 65.8 | 24% | 0.239 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.9 | -47.5 | 175.6 | -171.2 | -103.5 | 0 | 0 | 0 | 112.3 | P138 I141 P179 Q180 L181 L185 L186 Q187 L204 | P138-Y183 HydrophobicContact CB-CE1 3.93Å; P138-Y183 WeakPolarHBondContact CB-OH 3.33Å; I141-Y183 HydrophobicContact CB-CD1 4.17Å; I141-Y183 HydrophobicContact CB-CE1 4.35Å; I141-Y183 HydrophobicContact CD1-CD1 4.03Å; I141-Y183 HydrophobicContact CG2-CD1 3.86Å; I141-Y183 HydrophobicContact CG2-CE1 4.34Å; P179-Y183 WeakPolarHBondContact O-CB 3.39Å; P179-Y183 PolarHBondContact O-N 3.02Å; Q180-Y183 PolarHBondContact O-N 3.46Å; L181-Y183 VanDerWaalsContact C-N 3.29Å; L181-Y183 PolarHBondContact O-N 3.35Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 2.93Å; Y183-L186 PolarHBondContact O-N 2.84Å; Y183-Q187 WeakPolarHBondContact O-CB 3.41Å; Y183-Q187 PolarHBondContact O-N 2.86Å; Y183-L204 HydrophobicContact CD2-CD1 3.89Å; Y183-L204 HydrophobicContact CD2-CD2 3.92Å; Y183-L204 HydrophobicContact CE2-CD1 3.75Å; Y183-L204 HydrophobicContact CE2-CD2 4.43Å |
| 184 | A | 85.4 | Confident | 83.4 | Confident | 17 Ų | 17 | 67.3 Ų | 67.3 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I141 V145 Q180 L181 Q187 A188 | I141-A184 HydrophobicContact CG2-CB 3.73Å; V145-A184 HydrophobicContact CG2-CB 4.09Å; Q180-A184 WeakPolarHBondContact O-CB 3.42Å; Q180-A184 PolarHBondContact O-N 2.97Å; L181-A184 PolarHBondContact O-N 3.34Å; A184-Q187 PolarHBondContact O-N 3.47Å; A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.39Å |
| 185 | L | 86.7 | Confident | 83.1 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.2 | -42.1 | 176.9 | -67.4 | 163.1 | 0 | 0 | 0 | 112.2 | L156 M157 M160 L175 L181 Y183 A188 Q189 | L156-L185 HydrophobicContact CD1-CD2 3.96Å; L156-L185 HydrophobicContact CD2-CD2 4.17Å; L156-L185 HydrophobicContact CG-CD2 3.83Å; M157-L185 HydrophobicContact CE-CB 4Å; M157-L185 HydrophobicContact CE-CD2 3.38Å; M157-L185 HydrophobicContact CE-CG 4.3Å; M157-L185 WeakPolarHBondContact CE-O 3.47Å; M160-L185 HydrophobicContact CB-CD2 4.03Å; M160-L185 HydrophobicContact CE-CD1 3.42Å; M160-L185 VanDerWaalsContact CE-CD1 3.42Å; M160-L185 HydrophobicContact CE-CD2 4.03Å; M160-L185 HydrophobicContact CE-CG 4.36Å; M160-L185 HydrophobicContact CG-CD1 4Å; M160-L185 HydrophobicContact CG-CD2 4.03Å; M160-L185 HydrophobicContact SD-CD1 3.88Å; L175-L185 HydrophobicContact CD2-CD1 4.3Å; L181-L185 HydrophobicContact CD1-CD1 4Å; L181-L185 HydrophobicContact CD1-CD2 4.45Å; L181-L185 HydrophobicContact CD1-CG 4.05Å; L181-L185 HydrophobicContact CG-CD1 3.87Å; L181-L185 HydrophobicContact CG-CG 4.41Å; L181-L185 WeakPolarHBondContact O-CB 3.39Å; L181-L185 WeakPolarHBondContact O-CD1 3.49Å; L181-L185 WeakPolarHBondContact O-CG 3.31Å; L181-L185 PolarHBondContact O-N 2.92Å; Y183-L185 VanDerWaalsContact C-N 3.33Å; Y183-L185 PolarHBondContact O-N 2.93Å; L185-A188 PolarHBondContact O-N 3Å; L185-Q189 WeakPolarHBondContact O-CG 3.02Å; L185-Q189 PolarHBondContact O-N 3.34Å |
| 186 | L | 84.7 | Confident | 82.7 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 13% | 0.131 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 176.6 | -178.5 | 58.2 | 0 | 0 | 0 | 111.2 | A182 Y183 A188 Q189 V190 A200 L204 | A182-L186 PolarHBondContact O-N 2.99Å; Y183-L186 PolarHBondContact O-N 2.84Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.26Å; L186-Q189 WeakPolarHBondContact O-CB 3.47Å; L186-Q189 PolarHBondContact O-N 3.44Å; L186-Q189 VanDerWaalsContact O-N 3.17Å; L186-V190 PolarHBondContact O-N 2.92Å; L186-V190 VanDerWaalsContact O-N 3.11Å; L186-A200 HydrophobicContact CD1-CB 3.8Å; L186-A200 HydrophobicContact CD2-CB 4.14Å; L186-A200 HydrophobicContact CG-CB 3.97Å; L186-L204 HydrophobicContact CD2-CD1 3.65Å; L186-L204 HydrophobicContact CD2-CG 3.81Å |
| 187 | Q | 82.2 | Confident | 81.9 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 175.5 | -173.3 | 58.7 | 31.8 | 0 | 0 | 111.7 | S142 V145 Y183 A184 Q189 V190 V191 | S142-Q187 PolarHBondContact OG-NE2 2.86Å; V145-Q187 HydrophobicContact CB-CG 4.36Å; V145-Q187 HydrophobicContact CG1-CG 4.32Å; Y183-Q187 WeakPolarHBondContact O-CB 3.41Å; Y183-Q187 PolarHBondContact O-N 2.86Å; A184-Q187 PolarHBondContact O-N 3.47Å; Q187-Q189 VanDerWaalsContact C-N 3.32Å; Q187-Q189 PolarHBondContact O-N 3.41Å; Q187-V190 PolarHBondContact O-N 3.16Å; Q187-V191 WeakPolarHBondContact O-CG2 3.44Å; Q187-V191 PolarHBondContact O-N 3.37Å |
| 188 | A | 83.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V145 M157 A184 L185 L186 V190 V191 M192 | V145-A188 HydrophobicContact CG1-CB 3.83Å; M157-A188 HydrophobicContact CE-CB 3.94Å; A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.39Å; L185-A188 PolarHBondContact O-N 3Å; L186-A188 VanDerWaalsContact C-N 3.34Å; L186-A188 PolarHBondContact O-N 3.26Å; A188-V190 VanDerWaalsContact C-N 3.34Å; A188-V190 PolarHBondContact O-N 3.05Å; A188-V191 PolarHBondContact O-N 3.35Å; A188-M192 WeakPolarHBondContact O-CB 3.19Å; A188-M192 VanDerWaalsContact O-CG 3.3Å; A188-M192 WeakPolarHBondContact O-CG 3.46Å; A188-M192 PolarHBondContact O-N 3.25Å |
| 189 | Q | 83.5 | Confident | 80.8 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 27% | 0.271 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -34.3 | 176.5 | -68.5 | 169.7 | 17.9 | 0 | 0 | 113.1 | M157 L185 L186 Q187 R193 I194 V195 | M157-Q189 HydrophobicContact CE-CG 4.49Å; M157-Q189 HydrophobicContact SD-CG 3.55Å; M157-Q189 VanDerWaalsContact SD-CG 3.55Å; L185-Q189 WeakPolarHBondContact O-CG 3.02Å; L185-Q189 PolarHBondContact O-N 3.34Å; L186-Q189 WeakPolarHBondContact O-CB 3.47Å; L186-Q189 PolarHBondContact O-N 3.44Å; L186-Q189 VanDerWaalsContact O-N 3.17Å; Q187-Q189 VanDerWaalsContact C-N 3.32Å; Q187-Q189 PolarHBondContact O-N 3.41Å; Q189-R193 PolarHBondContact O-N 3.4Å; Q189-I194 PolarHBondContact O-N 3.48Å; Q189-V195 HydrophobicContact CB-CB 4.17Å; Q189-V195 HydrophobicContact CB-CG2 3.89Å; Q189-V195 PolarHBondContact O-N 3.1Å |
| 190 | V | 83.4 | Confident | 80 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 15% | 0.145 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.4 | -44.7 | 174.6 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L186 Q187 A188 M192 R193 P197 A200 | L186-V190 PolarHBondContact O-N 2.92Å; L186-V190 VanDerWaalsContact O-N 3.11Å; Q187-V190 PolarHBondContact O-N 3.16Å; A188-V190 VanDerWaalsContact C-N 3.34Å; A188-V190 PolarHBondContact O-N 3.05Å; V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 PolarHBondContact O-N 3.27Å; V190-R193 PolarHBondContact O-N 2.95Å; V190-P197 HydrophobicContact CG1-CB 3.96Å; V190-A200 HydrophobicContact CG2-CB 3.57Å |
| 191 | V | 80.6 | Confident | 79.1 | Confident | 58 Ų | 58 | 60.3 Ų | 60.3 | 35% | 0.352 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -40.3 | 176.2 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | M153 Q187 A188 R193 | M153-V191 HydrophobicContact CE-CG1 4.04Å; M153-V191 HydrophobicContact SD-CG1 4.08Å; Q187-V191 WeakPolarHBondContact O-CG2 3.44Å; Q187-V191 PolarHBondContact O-N 3.37Å; A188-V191 PolarHBondContact O-N 3.35Å; V191-R193 PolarHBondContact O-N 2.96Å |
| 192 | M | 78.4 | Confident | 78.2 | Confident | 56 Ų | 56 | 64.5 Ų | 64.5 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -2.1 | 173.8 | -70.6 | -172.5 | -170.5 | 0 | 0 | 115.1 | M153 F154 M157 A188 V190 I194 | M153-M192 HydrophobicContact CB-CE 3.3Å; M153-M192 VanDerWaalsContact O-CE 3.3Å; M153-M192 WeakPolarHBondContact O-CE 3.35Å; F154-M192 HydrophobicContact CB-CE 4.46Å; M157-M192 HydrophobicContact CG-CE 3.84Å; M157-M192 HydrophobicContact CG-SD 4.16Å; A188-M192 WeakPolarHBondContact O-CB 3.19Å; A188-M192 VanDerWaalsContact O-CG 3.3Å; A188-M192 WeakPolarHBondContact O-CG 3.46Å; A188-M192 PolarHBondContact O-N 3.25Å; V190-M192 VanDerWaalsContact C-N 3.31Å; V190-M192 PolarHBondContact O-N 3.27Å; M192-I194 HydrophobicContact CB-CD1 3.72Å; M192-I194 HydrophobicContact CB-CG1 3.8Å; M192-I194 HydrophobicContact CG-CD1 4.33Å; M192-I194 PolarHBondContact O-N 3.3Å; M192-I194 HydrophobicContact SD-CD1 3.54Å; M192-I194 VanDerWaalsContact SD-CD1 3.54Å |
| 193 | R | 78.2 | Confident | 77.1 | Confident | 214 Ų | 214 | 69.4 Ų | 69.4 | 81% | 0.808 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 24.9 | -173.3 | -58 | -64.6 | -171.5 | 133.1 | -1 | 114.5 | Q189 V190 V191 | Q189-R193 PolarHBondContact O-N 3.4Å; V190-R193 PolarHBondContact O-N 2.95Å; V191-R193 PolarHBondContact O-N 2.96Å |
| 194 | I | 78.8 | Confident | 76 | Confident | 117 Ų | 117 | 70.4 Ų | 70.4 | 60% | 0.6 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -80.7 | -34.1 | 174.1 | -61.9 | 170.1 | 0 | 0 | 0 | 110.2 | Q189 M192 | Q189-I194 PolarHBondContact O-N 3.48Å; M192-I194 HydrophobicContact CB-CD1 3.72Å; M192-I194 HydrophobicContact CB-CG1 3.8Å; M192-I194 HydrophobicContact CG-CD1 4.33Å; M192-I194 PolarHBondContact O-N 3.3Å; M192-I194 HydrophobicContact SD-CD1 3.54Å; M192-I194 VanDerWaalsContact SD-CD1 3.54Å |
| 195 | V | 75.9 | Confident | 74.6 | Confident | 32 Ų | 32 | 76.3 Ų | 76.3 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -123.8 | 135.7 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | Q189 I199 A200 | Q189-V195 HydrophobicContact CB-CB 4.17Å; Q189-V195 HydrophobicContact CB-CG2 3.89Å; Q189-V195 PolarHBondContact O-N 3.1Å; V195-I199 HydrophobicContact CG1-CB 4.4Å; V195-I199 HydrophobicContact CG1-CG2 4.47Å; V195-A200 HydrophobicContact CG1-CB 4.18Å |
| 196 | D | 79.6 | Confident | 72.9 | Confident | 87 Ų | 87 | 86.3 Ų | 86.3 | 47% | 0.465 | 41% | 0.411 | S | S | . | . | trans | -73.1 | 134.7 | 177.8 | -157.2 | -80.5 | 0 | 0 | 0 | 110.8 | E198 I199 A200 | D196-E198 PolarHBondContact O-N 3.47Å; D196-E198 VanDerWaalsContact O-N 3.16Å; D196-E198 PolarHBondContact OD1-N 3.35Å; D196-I199 HydrophobicContact CB-CB 4.46Å; D196-I199 HydrophobicContact CB-CD1 3.86Å; D196-I199 HydrophobicContact CB-CG1 4.06Å; D196-I199 WeakPolarHBondContact O-CB 3.48Å; D196-I199 PolarHBondContact O-N 2.86Å; D196-A200 PolarHBondContact O-N 3.21Å | ||
| 197 | P | 68.4 | Low | 70.6 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 38% | 0.383 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -56.2 | -33.9 | -175.8 | 20.8 | -34.2 | 0 | 0 | 0 | 113.5 | V190 I199 A200 L201 | V190-P197 HydrophobicContact CG1-CB 3.96Å; P197-I199 VanDerWaalsContact C-N 3.31Å; P197-I199 PolarHBondContact O-N 2.91Å; P197-A200 PolarHBondContact O-N 3.21Å; P197-L201 WeakPolarHBondContact O-CD1 3.26Å; P197-L201 PolarHBondContact O-N 3.2Å; P197-L201 VanDerWaalsContact O-N 3.1Å |
| 198 | E | 71.1 | Confident | 68.9 | Low | 124 Ų | 124 | 98 Ų | 98 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.2 | -31.8 | 175.9 | -82.9 | -150.5 | 63.8 | 0 | 0 | 113.5 | D196 K202 | D196-E198 PolarHBondContact O-N 3.47Å; D196-E198 VanDerWaalsContact O-N 3.16Å; D196-E198 PolarHBondContact OD1-N 3.35Å; E198-K202 VanDerWaalsContact O-CD 3.26Å; E198-K202 WeakPolarHBondContact O-CD 3.46Å; E198-K202 WeakPolarHBondContact O-CG 3.32Å; E198-K202 PolarHBondContact O-N 2.81Å; E198-K202 IonicContact OE1-NZ 2.91Å; E198-K202 PolarHBondContact OE1-NZ 3.13Å |
| 199 | I | 73.5 | Confident | 66.6 | Low | 98 Ų | 98 | 102.9 Ų | 102.9 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -76.9 | -42.1 | 178 | -60.2 | 174.6 | 0 | 0 | 0 | 109 | V195 D196 P197 L201 K202 M203 | V195-I199 HydrophobicContact CG1-CB 4.4Å; V195-I199 HydrophobicContact CG1-CG2 4.47Å; D196-I199 HydrophobicContact CB-CB 4.46Å; D196-I199 HydrophobicContact CB-CD1 3.86Å; D196-I199 HydrophobicContact CB-CG1 4.06Å; D196-I199 WeakPolarHBondContact O-CB 3.48Å; D196-I199 PolarHBondContact O-N 2.86Å; P197-I199 VanDerWaalsContact C-N 3.31Å; P197-I199 PolarHBondContact O-N 2.91Å; I199-L201 PolarHBondContact O-N 2.99Å; I199-K202 PolarHBondContact O-N 3.22Å; I199-K202 VanDerWaalsContact O-N 3.14Å; I199-M203 HydrophobicContact CG2-SD 4.46Å; I199-M203 WeakPolarHBondContact O-CG 3.28Å; I199-M203 PolarHBondContact O-N 2.91Å; I199-M203 VanDerWaalsContact O-N 3.16Å |
| 200 | A | 66 | Low | 64.8 | Low | 5 Ų | 5 | 106.3 Ų | 106.3 | 4% | 0.041 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -57 | -47.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L186 V190 V195 D196 P197 K202 M203 L204 | L186-A200 HydrophobicContact CD1-CB 3.8Å; L186-A200 HydrophobicContact CD2-CB 4.14Å; L186-A200 HydrophobicContact CG-CB 3.97Å; V190-A200 HydrophobicContact CG2-CB 3.57Å; V195-A200 HydrophobicContact CG1-CB 4.18Å; D196-A200 PolarHBondContact O-N 3.21Å; P197-A200 PolarHBondContact O-N 3.21Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.16Å; A200-M203 PolarHBondContact O-N 3.14Å; A200-M203 VanDerWaalsContact O-N 3.15Å; A200-L204 PolarHBondContact O-N 3.28Å |
| 201 | L | 65.5 | Low | 62.3 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.8 | -39.4 | 175.8 | -97.2 | 74.9 | 0 | 0 | 0 | 112.3 | P197 I199 M203 L204 H205 | P197-L201 WeakPolarHBondContact O-CD1 3.26Å; P197-L201 PolarHBondContact O-N 3.2Å; P197-L201 VanDerWaalsContact O-N 3.1Å; I199-L201 PolarHBondContact O-N 2.99Å; L201-M203 VanDerWaalsContact C-N 3.25Å; L201-M203 PolarHBondContact O-N 3.45Å; L201-L204 PolarHBondContact O-N 3.22Å; L201-H205 PolarHBondContact O-N 3.45Å; L201-H205 PolarHBondContact O-ND1 3.49Å |
| 202 | K | 65.1 | Low | 60.5 | Low | 141 Ų | 141 | 116.6 Ų | 116.6 | 61% | 0.613 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.5 | -23.1 | 179.6 | -71.2 | 163.6 | -169.7 | 147.7 | 0 | 112.7 | E198 I199 A200 | E198-K202 VanDerWaalsContact O-CD 3.26Å; E198-K202 WeakPolarHBondContact O-CD 3.46Å; E198-K202 WeakPolarHBondContact O-CG 3.32Å; E198-K202 PolarHBondContact O-N 2.81Å; E198-K202 IonicContact OE1-NZ 2.91Å; E198-K202 PolarHBondContact OE1-NZ 3.13Å; I199-K202 PolarHBondContact O-N 3.22Å; I199-K202 VanDerWaalsContact O-N 3.14Å; A200-K202 VanDerWaalsContact C-N 3.31Å; A200-K202 PolarHBondContact O-N 3.16Å |
| 203 | M | 62.5 | Low | 58.9 | Low | 135 Ų | 135 | 122.1 Ų | 122.1 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.7 | -32.3 | 173.9 | -63.3 | -177.6 | 83.9 | 0 | 0 | 112.9 | I199 A200 L201 | I199-M203 HydrophobicContact CG2-SD 4.46Å; I199-M203 WeakPolarHBondContact O-CG 3.28Å; I199-M203 PolarHBondContact O-N 2.91Å; I199-M203 VanDerWaalsContact O-N 3.16Å; A200-M203 PolarHBondContact O-N 3.14Å; A200-M203 VanDerWaalsContact O-N 3.15Å; L201-M203 VanDerWaalsContact C-N 3.25Å; L201-M203 PolarHBondContact O-N 3.45Å |
| 204 | L | 63.7 | Low | 57.3 | Low | 83 Ų | 83 | 118 Ų | 118 | 44% | 0.435 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.4 | -36.8 | 178.4 | -90.8 | 156.8 | 0 | 0 | 0 | 114.2 | Y183 L186 A200 L201 R206 | Y183-L204 HydrophobicContact CD2-CD1 3.89Å; Y183-L204 HydrophobicContact CD2-CD2 3.92Å; Y183-L204 HydrophobicContact CE2-CD1 3.75Å; Y183-L204 HydrophobicContact CE2-CD2 4.43Å; L186-L204 HydrophobicContact CD2-CD1 3.65Å; L186-L204 HydrophobicContact CD2-CG 3.81Å; A200-L204 PolarHBondContact O-N 3.28Å; L201-L204 PolarHBondContact O-N 3.22Å; L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.35Å |
| 205 | H | 54.9 | Low | 55.1 | Low | 141 Ų | 141 | 117.7 Ų | 117.7 | 65% | 0.653 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 8.5 | -171.3 | -66.4 | 95.6 | 0 | 0 | 0 | 115.2 | L201 Q207 | L201-H205 PolarHBondContact O-N 3.45Å; L201-H205 PolarHBondContact O-ND1 3.49Å; H205-Q207 PolarHBondContact O-N 3.15Å |
| 206 | R | 50.1 | Low | 53.5 | Low | 215 Ų | 215 | 122.4 Ų | 122.4 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -77 | 94 | 170.9 | -176.8 | 177.1 | -74.5 | -126.2 | 0.4 | 109.3 | L204 T208 | L204-R206 VanDerWaalsContact C-N 3.32Å; L204-R206 PolarHBondContact O-N 3.35Å; R206-T208 PolarHBondContact O-N 3.36Å |
| 207 | Q | 37.3 | Very low | 51.6 | Low | 191 Ų | 191 | 123.1 Ų | 123.1 | 89% | 0.893 | 67% | 0.673 | S | S | * | * | trans | -46.6 | 108 | 179.7 | -68.1 | 177.3 | -15.7 | 0 | 0 | 112.5 | H205 | H205-Q207 PolarHBondContact O-N 3.15Š| ||
| 208 | T | 46.2 | Very low | 50.1 | Low | 119 Ų | 119 | 130.1 Ų | 130.1 | 73% | 0.73 | 70% | 0.701 | S | S | * | * | trans | -94.9 | 109.2 | 158 | -65.5 | 0 | 0 | 0 | 0 | 106.8 | R206 V210 | R206-T208 PolarHBondContact O-N 3.36Å; T208-V210 PolarHBondContact O-N 2.77Å | ||
| 209 | A | 35.9 | Very low | 48.3 | Very low | 101 Ų | 101 | 128 Ų | 128 | 84% | 0.835 | 71% | 0.712 | S | S | * | * | trans | -70.3 | 102 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 210 | V | 46.3 | Very low | 46.4 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -85 | 117.7 | 166.9 | -88.8 | 0 | 0 | 0 | 0 | 109.3 | T208 | T208-V210 PolarHBondContact O-N 2.77Š|
| 211 | Q | 30.3 | Very low | 44.8 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 125.7 | 168.7 | -76.1 | -174.5 | 72.2 | 0 | 0 | 109.1 | ||
| 212 | P | 42.7 | Very low | 43.5 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70 | 135.5 | 176 | 28.3 | -33.1 | 0 | 0 | 0 | 110.7 | V214 | P212-V214 PolarHBondContact O-N 3.31Š|
| 213 | L | 44.2 | Very low | 42.6 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | -79.2 | 100.1 | -179.6 | -160.2 | 153.4 | 0 | 0 | 0 | 108.8 | ||||
| 214 | V | 44.5 | Very low | 41.9 | Very low | 128 Ų | 128 | 129 Ų | 129 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -79.3 | 133.4 | -172.9 | -68 | 0 | 0 | 0 | 0 | 113.2 | P212 | P212-V214 PolarHBondContact O-N 3.31Š| ||
| 215 | S | 33.9 | Very low | 41 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -71.5 | 143.3 | 179.8 | -46.1 | 0 | 0 | 0 | 0 | 112.6 | S217 | S215-S217 PolarHBondContact O-N 3.33Š| ||
| 216 | S | 42.4 | Very low | 40.6 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | trans | -86.3 | 95.5 | 179.3 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 217 | S | 38.1 | Very low | 40.6 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | trans | -145.4 | 95.1 | 169.3 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | S215 | S215-S217 PolarHBondContact O-N 3.33Š| ||
| 218 | Q | 37.9 | Very low | 40.9 | Very low | 207 Ų | 207 | 124.8 Ų | 124.8 | 97% | 0.967 | 82% | 0.816 | S | S | * | * | trans | 51.6 | 110.6 | 136 | -152.1 | 178.5 | 115 | 0 | 0 | 119.6 | ||||
| 219 | G | 32.4 | Very low | 40.7 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | 167.2 | 117.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 220 | G | 35 | Very low | 40.9 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 92% | 0.918 | 82% | 0.819 | S | S | * | * | trans | -87.1 | 159.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 221 | G | 32.1 | Very low | 40.9 | Very low | 75 Ų | 75 | 128.9 Ų | 128.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | 154 | 101.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 222 | A | 37.8 | Very low | 41.3 | Very low | 95 Ų | 95 | 126.2 Ų | 126.2 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 50.4 | 120.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 223 | P | 47 | Very low | 41 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 143.2 | 161.7 | 32.5 | -32.9 | 0 | 0 | 0 | 111.2 | ||
| 224 | P | 47.8 | Very low | 40.7 | Very low | 124 Ų | 124 | 127.4 Ų | 127.4 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 129.9 | 172 | 28.5 | -32.8 | 0 | 0 | 0 | 111.2 | ||
| 225 | V | 44.8 | Very low | 40.3 | Very low | 138 Ų | 138 | 127.7 Ų | 127.7 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 132.2 | 175 | -75.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 226 | N | 45.4 | Very low | 40.3 | Very low | 156 Ų | 156 | 127.9 Ų | 127.9 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -127.3 | 129 | 168.5 | -96.8 | -27.7 | 0 | 0 | 0 | 110.3 | ||||
| 227 | P | 50 | Low | 39.9 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -73.5 | 172.1 | -178.6 | -18.2 | 33.2 | 0 | 0 | 0 | 115.3 | ||||
| 228 | P | 44.4 | Very low | 40.1 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -89.4 | 179.7 | -161.4 | 36.7 | -37.7 | 0 | 0 | 0 | 116.6 | ||||
| 229 | V | 42 | Very low | 40.1 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -92.5 | 142.6 | -163.9 | -84.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 230 | Q | 39.2 | Very low | 40.6 | Very low | 183 Ų | 183 | 130.4 Ų | 130.4 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | 69.7 | 163.9 | 143.3 | -75.9 | -171.9 | -20.8 | 0 | 0 | 119.8 | ||||
| 231 | P | 46.5 | Very low | 40.9 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | -136 | -166.9 | 19.4 | 41.5 | -20.4 | 0 | 0 | 0 | 118.5 | ||||
| 232 | N | 40.1 | Very low | 41.8 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -96.9 | 153.4 | -162.9 | 150.8 | 97.5 | 0 | 0 | 0 | 116.8 | ||||
| 233 | V | 36.3 | Very low | 41.8 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | -163.4 | 106.7 | 150.8 | -96.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 234 | Q | 36.1 | Very low | 41.7 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | 44.4 | 160.6 | 123 | -135.2 | 166.3 | -33.9 | 0 | 0 | 126.1 | |||||
| 235 | V | 36.1 | Very low | 41.6 | Very low | 133 Ų | 133 | 137.5 Ų | 137.5 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | 103.8 | 138.6 | 170.4 | 174.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 236 | S | 34.6 | Very low | 41.4 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -165.2 | -168.5 | -16.4 | -94 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 237 | Q | 33.9 | Very low | 41.1 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | -89.8 | 179.9 | -177.5 | -114.8 | -166.2 | 68.2 | 0 | 0 | 115.2 | ||||
| 238 | P | 41.9 | Very low | 40.4 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | cis | -141.5 | -178.4 | 30.6 | 40.3 | -18.1 | 0 | 0 | 0 | 119.4 | ||||
| 239 | Q | 39.1 | Very low | 40.2 | Very low | 155 Ų | 155 | 133 Ų | 133 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | -96 | 172.7 | 175.6 | -59.3 | 179.7 | -33.9 | 0 | 0 | 113.6 | ||||
| 240 | P | 42.7 | Very low | 40.6 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | -146.9 | 173.1 | 93.6 | 36 | -17.1 | 0 | 0 | 0 | 117.5 | |||||
| 241 | V | 41.5 | Very low | 40.6 | Very low | 115 Ų | 115 | 133 Ų | 133 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | -108.1 | -164.9 | -179.3 | -66.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 242 | P | 51.1 | Low | 40.5 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -147.7 | -164.2 | 2.2 | 42.3 | -19.7 | 0 | 0 | 0 | 119.3 | ||||
| 243 | V | 37.8 | Very low | 40.7 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 75% | 0.745 | 79% | 0.787 | S | S | * | * | trans | 89.6 | 141.1 | 147.5 | 143.3 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 244 | M | 44.1 | Very low | 41 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | cis | -155.6 | 153.2 | -6.8 | -109.1 | -166.4 | -155.5 | 0 | 0 | 113.8 | ||||
| 245 | H | 46.6 | Very low | 41.9 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | 47 | 156.8 | 138.5 | -61.2 | 173.9 | 0 | 0 | 0 | 123.6 | ||||
| 246 | V | 41.1 | Very low | 42 | Very low | 117 Ų | 117 | 134.7 Ų | 134.7 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | cis | -162.1 | 149.3 | 34.8 | 67.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 247 | N | 37.8 | Very low | 42.2 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | 40.1 | 149.7 | 156.6 | -66 | -8.5 | 0 | 0 | 0 | 125.2 | ||||
| 248 | G | 34.8 | Very low | 42.4 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | 166.2 | 166.3 | -9.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 249 | A | 41.4 | Very low | 42.1 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 71.1 | 154.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 250 | P | 50.5 | Low | 42.2 | Very low | 123 Ų | 123 | 133.4 Ų | 133.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | cis | -136.7 | 171.1 | -30.4 | 36.4 | -17.4 | 0 | 0 | 0 | 117.8 | ||||
| 251 | Q | 39.9 | Very low | 42.1 | Very low | 187 Ų | 187 | 133.5 Ų | 133.5 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -42.3 | 152.7 | -179.5 | -61.6 | 170.2 | -49.3 | 0 | 0 | 121.7 | ||||
| 252 | M | 43 | Very low | 42.6 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | 175.9 | 155.4 | 105.8 | 60.5 | 178.2 | 166 | 0 | 0 | 110.6 | |||||
| 253 | M | 44.8 | Very low | 41.9 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 91% | 0.906 | 79% | 0.788 | S | S | * | * | cis | -148.3 | -167.6 | -6.5 | -149.4 | 169.1 | 179.1 | 0 | 0 | 109.8 | ||||
| 254 | Q | 42.9 | Very low | 42.2 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -151.3 | 161.8 | -178.8 | -167.2 | 148 | 66.5 | 0 | 0 | 112.4 | ||||
| 255 | P | 54.1 | Low | 42.4 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | -133.1 | 139.1 | 117.4 | 23.8 | -6.1 | 0 | 0 | 0 | 111.6 | |||||
| 256 | A | 39.1 | Very low | 42.7 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | 66.6 | 131.6 | 65.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 257 | N | 39.1 | Very low | 43 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -160.5 | 165.9 | 11.7 | -151.7 | -37.3 | 0 | 0 | 0 | 111.9 | ||||
| 258 | M | 37.3 | Very low | 43.1 | Very low | 181 Ų | 181 | 130.7 Ų | 130.7 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | trans | 52.3 | 130.8 | 159.5 | -83.5 | 160.4 | 176.5 | 0 | 0 | 120.5 | ||||
| 259 | G | 35.6 | Very low | 44.4 | Very low | 60 Ų | 60 | 132.8 Ų | 132.8 | 62% | 0.619 | 79% | 0.792 | S | S | * | * | cis | 168.9 | -167.5 | -2.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 260 | V | 40.5 | Very low | 44.8 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | 76.5 | 146.4 | 175.4 | -34.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 261 | V | 41.8 | Very low | 44.9 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -134.9 | -177.5 | -164 | -71.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 262 | P | 52.3 | Low | 44.8 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | cis | -132 | -170.3 | -42.5 | 30.8 | -10 | 0 | 0 | 0 | 112.6 | ||||
| 263 | N | 34.7 | Very low | 45.1 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | 97 | 139.8 | 141 | -151.2 | 28 | 0 | 0 | 0 | 120.8 | ||||
| 264 | M | 46 | Very low | 44.7 | Very low | 163 Ų | 163 | 121 Ų | 121 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | trans | -67.3 | 177.7 | 175.4 | -119.4 | 104 | 121.7 | 0 | 0 | 112.7 | ||||
| 265 | P | 47 | Very low | 45.1 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | -142.9 | 179.3 | 26.9 | 39 | -16.9 | 0 | 0 | 0 | 118.4 | ||||
| 266 | V | 52.6 | Low | 44.3 | Very low | 134 Ų | 134 | 117.4 Ų | 117.4 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -81.7 | 151.3 | 159.5 | -66.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 267 | P | 48.9 | Very low | 44.6 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | -150.3 | 171.9 | 99.1 | 37.4 | -19.2 | 0 | 0 | 0 | 115.4 | |||||
| 268 | G | 39.1 | Very low | 44.8 | Very low | 67 Ų | 67 | 124.8 Ų | 124.8 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -90.9 | -155.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 269 | P | 61.2 | Low | 45 | Very low | 113 Ų | 113 | 119.5 Ų | 119.5 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -138.5 | -160.6 | -5.4 | 28.5 | -1.8 | 0 | 0 | 0 | 114.3 | ||||
| 270 | V | 51.5 | Low | 46.2 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 79% | 0.794 | 80% | 0.8 | S | S | * | * | trans | 81.4 | 169.7 | 158 | -44.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 271 | P | 50.8 | Low | 46.9 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | -142.3 | 157.1 | -92.9 | 42 | -21.5 | 0 | 0 | 0 | 119.9 | |||||
| 272 | G | 38.8 | Very low | 46.8 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 78% | 0.784 | 80% | 0.795 | S | S | * | * | trans | 71.9 | 177.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 273 | P | 48.3 | Very low | 46.7 | Very low | 135 Ų | 135 | 119.7 Ų | 119.7 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | cis | -119.6 | -176.6 | -9.1 | 39.8 | -24.4 | 0 | 0 | 0 | 114.3 | ||||
| 274 | G | 38 | Very low | 47.3 | Very low | 67 Ų | 67 | 116.3 Ų | 116.3 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | -75.5 | -171.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 275 | P | 50.9 | Low | 47 | Very low | 134 Ų | 134 | 112.4 Ų | 112.4 | 87% | 0.87 | 80% | 0.804 | S | S | * | * | -149.3 | 157.6 | 50.6 | 39.9 | -19.9 | 0 | 0 | 0 | 119.6 | |||||
| 276 | G | 37.3 | Very low | 47.3 | Very low | 75 Ų | 75 | 114.7 Ų | 114.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | 59.2 | 121.5 | 131.1 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 277 | Q | 45.8 | Very low | 47.5 | Very low | 202 Ų | 202 | 113.6 Ų | 113.6 | 94% | 0.944 | 80% | 0.803 | S | S | * | * | -152.1 | 159.9 | 129.9 | -146.3 | 170.1 | 104.7 | 0 | 0 | 111.6 | |||||
| 278 | I | 42 | Very low | 47.7 | Very low | 169 Ų | 169 | 114 Ų | 114 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -136.1 | 130.5 | -157.4 | -60 | 164.1 | 0 | 0 | 0 | 112.6 | ||||
| 279 | G | 41.7 | Very low | 47.9 | Very low | 71 Ų | 71 | 120.7 Ų | 120.7 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 79.9 | 176.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 280 | P | 60.3 | Low | 47.1 | Very low | 125 Ų | 125 | 119 Ų | 119 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | cis | -124.9 | 171.8 | -13.9 | 39.1 | -24 | 0 | 0 | 0 | 114.3 | ||||
| 281 | P | 56 | Low | 46.7 | Very low | 132 Ų | 132 | 118.3 Ų | 118.3 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | trans | -93 | 158.2 | -177.2 | 36.3 | -35.1 | 0 | 0 | 0 | 115.1 | ||||
| 282 | G | 39.9 | Very low | 46.3 | Very low | 73 Ų | 73 | 120.7 Ų | 120.7 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | trans | -126.1 | 164.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 283 | P | 50.7 | Low | 46.5 | Very low | 133 Ų | 133 | 121 Ų | 121 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -116.3 | 156.3 | -148.9 | 39.8 | -31 | 0 | 0 | 0 | 117.3 | ||||
| 284 | G | 46.1 | Very low | 46.3 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | trans | 73.1 | 95.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 285 | G | 39.5 | Very low | 46.4 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -128.6 | 109.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 286 | I | 53.9 | Low | 46.7 | Very low | 163 Ų | 163 | 121.9 Ų | 121.9 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 139 | -177.3 | -24.3 | 174.1 | 0 | 0 | 0 | 110.3 | ||
| 287 | P | 56.5 | Low | 47.2 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 139.3 | 170.9 | 28.8 | -34.7 | 0 | 0 | 0 | 111.3 | R289 | P287-R289 PolarHBondContact O-N 3.06Š|
| 288 | P | 53.3 | Low | 47.6 | Very low | 132 Ų | 132 | 122.8 Ų | 122.8 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 125.7 | -176.5 | 27.2 | -33.3 | 0 | 0 | 0 | 112.2 | G290 | P288-G290 PolarHBondContact O-N 3.05Š|
| 289 | R | 44.4 | Very low | 48.4 | Very low | 209 Ų | 209 | 119.2 Ų | 119.2 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | trans | -76.8 | 113.7 | 173.9 | -171.2 | 169.7 | 87 | 132.7 | -0.4 | 109.5 | P287 L291 | P287-R289 PolarHBondContact O-N 3.06Å; R289-L291 VanDerWaalsContact NH2-CD1 3.25Å; R289-L291 PolarHBondContact O-N 3.01Å | ||
| 290 | G | 43 | Very low | 48.7 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -59 | 127.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P288 | P288-G290 PolarHBondContact O-N 3.05Š| ||
| 291 | L | 43.1 | Very low | 47.6 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 61% | 0.607 | 80% | 0.802 | S | S | * | * | trans | -161.8 | 144.5 | 176.7 | -119 | 168.4 | 0 | 0 | 0 | 110.7 | R289 | R289-L291 VanDerWaalsContact NH2-CD1 3.25Å; R289-L291 PolarHBondContact O-N 3.01Å | ||
| 292 | L | 43.1 | Very low | 46.8 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | 68.6 | 119.6 | 173.2 | -108.9 | 74.2 | 0 | 0 | 0 | 117.2 | ||||
| 293 | G | 42 | Very low | 46.9 | Very low | 82 Ų | 82 | 124.8 Ų | 124.8 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | 174.6 | 39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 294 | D | 45.4 | Very low | 46.5 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 90% | 0.904 | 80% | 0.796 | S | S | * | * | trans | -75.2 | 144.7 | 174.6 | -158.2 | -70 | 0 | 0 | 0 | 109.9 | ||||
| 295 | G | 40.1 | Very low | 46.4 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | 136.3 | 113.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 296 | P | 56.9 | Low | 46.5 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -89.9 | 157 | 174.5 | 35.4 | -33.6 | 0 | 0 | 0 | 113.3 | ||||
| 297 | N | 47.2 | Very low | 46 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | trans | 79.1 | 101.3 | 164.5 | -150.3 | -46.2 | 0 | 0 | 0 | 117.8 | ||||
| 298 | D | 54.3 | Low | 45.5 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -150.8 | 143.8 | 133.8 | -167.5 | -108.4 | 0 | 0 | 0 | 110.2 | ||||
| 299 | P | 58.7 | Low | 45 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | trans | -112.6 | 125.3 | -167.8 | 36.5 | -24.6 | 0 | 0 | 0 | 114.1 | ||||
| 300 | R | 47.7 | Very low | 45.2 | Very low | 238 Ų | 238 | 127.4 Ų | 127.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -158.5 | 97 | 170.3 | -121.9 | 166.8 | 169.9 | 107 | 3.3 | 116.8 | ||||
| 301 | G | 38.7 | Very low | 45.2 | Very low | 86 Ų | 86 | 130.2 Ų | 130.2 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 76 | 133 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 302 | G | 38.3 | Very low | 45.5 | Very low | 70 Ų | 70 | 131.9 Ų | 131.9 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | cis | 169.1 | 157.3 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 303 | T | 42.7 | Very low | 45.9 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | trans | 75.5 | 80.4 | 169.6 | -41 | 0 | 0 | 0 | 0 | 117.1 | L305 | T303-L305 HydrophobicContact CG2-CD1 3.41Å; T303-L305 VanDerWaalsContact CG2-CD1 3.41Å | ||
| 304 | L | 41.8 | Very low | 46.9 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -69.1 | 124.8 | 138.7 | -98 | 157.2 | 0 | 0 | 0 | 108.1 | ||||
| 305 | L | 43.7 | Very low | 46.9 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -98.9 | 108.9 | 160.1 | -121.8 | 77.7 | 0 | 0 | 0 | 108.1 | T303 | T303-L305 HydrophobicContact CG2-CD1 3.41Å; T303-L305 VanDerWaalsContact CG2-CD1 3.41Å | ||
| 306 | S | 41 | Very low | 47.3 | Very low | 113 Ų | 113 | 141.1 Ų | 141.1 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | -70.8 | 133.6 | -179.4 | -47.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 307 | V | 44.9 | Very low | 46.8 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | trans | -98.8 | 153.3 | 156 | 70.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 308 | T | 45.6 | Very low | 46.8 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | S | Bend | trans | 64.9 | 105.7 | -178.6 | 67.9 | 0 | 0 | 0 | 0 | 117.6 | ||
| 309 | G | 42.1 | Very low | 46.3 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | 92.2 | 99.1 | 107.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 310 | E | 48.3 | Very low | 45.5 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | trans | 60.3 | 110.3 | 141.6 | -158.4 | 157.6 | 101.2 | 0 | 0 | 119.4 | ||||
| 311 | V | 44 | Very low | 45.4 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -142.8 | 128.5 | 155.1 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 312 | I | 49.6 | Very low | 45.9 | Very low | 151 Ų | 151 | 141.9 Ų | 141.9 | 77% | 0.774 | 83% | 0.827 | S | S | * | * | trans | -43.9 | 146.7 | 169.7 | 44.5 | 174.9 | 0 | 0 | 0 | 116.5 | ||||
| 313 | D | 51.1 | Low | 46.5 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 81% | 0.807 | 84% | 0.835 | S | S | * | * | trans | -84.3 | 136.9 | 170.4 | -178.5 | -90.7 | 0 | 0 | 0 | 111.5 | ||||
| 314 | P | 61.9 | Low | 46.8 | Very low | 119 Ų | 119 | 149.3 Ų | 149.3 | 77% | 0.773 | 84% | 0.84 | S | S | * | * | trans | -115.5 | 128.7 | 165.9 | 35.2 | -24.1 | 0 | 0 | 0 | 113.2 | ||||
| 315 | K | 47.3 | Very low | 47.2 | Very low | 269 Ų | 269 | 147.9 Ų | 147.9 | 100% | 1.17 | 84% | 0.839 | S | S | * | * | trans | -122.4 | 0 | 153.4 | -179.8 | 173.9 | 179.1 | 176.5 | 0 | 110.2 |
Retrieved 315 of 315 residues in 67.5 ms
(Link to these results)