| 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 | 39.2 | Very low | 48.5 | Very low | 249 Ų | 249 | 158.4 Ų | 158.4 | 100% | 1.227 | 84% | 0.841 | S | S | * | * | 0 | 110.9 | 0 | -72.5 | 154.3 | 81.2 | 0 | 0 | 107.3 | |||||
| 2 | S | 47.3 | Very low | 48.6 | Very low | 128 Ų | 128 | 154.4 Ų | 154.4 | 90% | 0.895 | 84% | 0.836 | S | S | * | * | trans | -94.4 | 125.8 | 174.7 | -49.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | A | 50.3 | Low | 48.8 | Very low | 94 Ų | 94 | 155.8 Ų | 155.8 | 78% | 0.777 | 83% | 0.833 | S | S | * | * | trans | -167.2 | 141.1 | 149.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 4 | P | 51.2 | Low | 48.5 | Very low | 117 Ų | 117 | 157.4 Ų | 157.4 | 76% | 0.76 | 83% | 0.834 | S | S | * | * | trans | -86 | 151.1 | -168.4 | 35.8 | -33.5 | 0 | 0 | 0 | 111.1 | ||||
| 5 | R | 48.8 | Very low | 48.4 | Very low | 253 Ų | 253 | 150.9 Ų | 150.9 | 96% | 0.955 | 81% | 0.811 | S | S | * | * | trans | -112.2 | 103.9 | 158.4 | -103.3 | -176.6 | 176.1 | 163.9 | -0.4 | 109.8 | I7 | R5-I7 PolarHBondContact O-N 3.49Š| ||
| 6 | L | 50.3 | Low | 48.3 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -29.9 | 124.2 | 164.6 | -68.7 | 155.6 | 0 | 0 | 0 | 112.3 | S8 | L6-S8 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.9Å | ||
| 7 | I | 52.4 | Low | 48.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 96.8 | 162.9 | -61.3 | 163.4 | 0 | 0 | 0 | 105.8 | R5 N9 | R5-I7 PolarHBondContact O-N 3.49Å; I7-N9 PolarHBondContact O-N 2.76Å; I7-N9 VanDerWaalsContact O-N 3.1Å | ||
| 8 | S | 43.2 | Very low | 48 | Very low | 104 Ų | 104 | 145.5 Ų | 145.5 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -74 | 100.5 | 171.2 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | L6 R10 | L6-S8 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.9Å; S8-R10 PolarHBondContact O-N 3.17Å | ||
| 9 | N | 52.6 | Low | 48.4 | Very low | 120 Ų | 120 | 141.6 Ų | 141.6 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | trans | -51.2 | 102.8 | 161.1 | 171.8 | -6.6 | 0 | 0 | 0 | 109.1 | I7 T11 | I7-N9 PolarHBondContact O-N 2.76Å; I7-N9 VanDerWaalsContact O-N 3.1Å; N9-T11 PolarHBondContact OD1-N 2.79Å; N9-T11 VanDerWaalsContact OD1-N 3.09Å | ||
| 10 | R | 48.9 | Very low | 48.8 | Very low | 238 Ų | 238 | 141.9 Ų | 141.9 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -94.2 | 94.2 | 159.7 | -109.1 | -173.9 | 170.9 | 125.9 | -2.3 | 108.1 | S8 S12 | S8-R10 PolarHBondContact O-N 3.17Å; R10-S12 PolarHBondContact O-N 2.73Å; R10-S12 VanDerWaalsContact O-N 3.1Å | ||
| 11 | T | 49.7 | Very low | 49 | Very low | 105 Ų | 105 | 143 Ų | 143 | 64% | 0.644 | 77% | 0.77 | S | S | * | * | trans | -60.8 | 98.2 | 158 | 16.8 | 0 | 0 | 0 | 0 | 108 | N9 Q13 | N9-T11 PolarHBondContact OD1-N 2.79Å; N9-T11 VanDerWaalsContact OD1-N 3.09Å; T11-Q13 VanDerWaalsContact C-N 3.28Å; T11-Q13 PolarHBondContact O-N 2.83Å | ||
| 12 | S | 49.3 | Very low | 50 | Low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -93.4 | 74.6 | 154.7 | -169.2 | 0 | 0 | 0 | 0 | 106.8 | R10 Q14 | R10-S12 PolarHBondContact O-N 2.73Å; R10-S12 VanDerWaalsContact O-N 3.1Å; S12-Q14 PolarHBondContact O-N 2.75Å | ||
| 13 | Q | 51 | Low | 50.8 | Low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | trans | -68.9 | 103.7 | 155.4 | -71.8 | -164.9 | 10.9 | 0 | 0 | 107.2 | T11 | T11-Q13 VanDerWaalsContact C-N 3.28Å; T11-Q13 PolarHBondContact O-N 2.83Å | ||
| 14 | Q | 44.4 | Very low | 51.5 | Low | 179 Ų | 179 | 141.4 Ų | 141.4 | 84% | 0.836 | 73% | 0.727 | S | S | * | * | trans | 173.4 | 131.9 | 150.2 | -106.7 | 176.7 | -23.2 | 0 | 0 | 105.2 | S12 | S12-Q14 PolarHBondContact O-N 2.75Š| ||
| 15 | A | 47 | Very low | 51.6 | Low | 59 Ų | 59 | 145.4 Ų | 145.4 | 49% | 0.488 | 73% | 0.729 | S | S | . | * | cis | -169.2 | 110.4 | -10.3 | 0 | 0 | 0 | 0 | 0 | 101.4 | N18 | A15-N18 PolarHBondContact O-ND2 3.46Š| ||
| 16 | L | 47.2 | Very low | 52.5 | Low | 140 Ų | 140 | 140 Ų | 140 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | 59.8 | 138.3 | 175.4 | -64.5 | 73 | 0 | 0 | 0 | 112.7 | N18 | L16-N18 HydrophobicContact CB-CB 4.23Å; L16-N18 VanDerWaalsContact CB-N 3.31Å; L16-N18 WeakPolarHBondContact CD2-OD1 3.43Å; L16-N18 PolarHBondContact O-N 3.03Å | ||
| 17 | S | 45.4 | Very low | 53 | Low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | trans | -56.8 | 72.3 | 133.7 | 161.3 | 0 | 0 | 0 | 0 | 106.4 | S19 | S17-S19 PolarHBondContact O-N 2.81Š| ||
| 18 | N | 45.1 | Very low | 53.4 | Low | 97 Ų | 97 | 142.6 Ų | 142.6 | 52% | 0.519 | 71% | 0.705 | S | S | . | * | trans | -66.3 | 88.1 | 157.3 | -86.1 | -53 | 0 | 0 | 0 | 100.9 | A15 L16 D20 | A15-N18 PolarHBondContact O-ND2 3.46Å; L16-N18 HydrophobicContact CB-CB 4.23Å; L16-N18 VanDerWaalsContact CB-N 3.31Å; L16-N18 WeakPolarHBondContact CD2-OD1 3.43Å; L16-N18 PolarHBondContact O-N 3.03Å; N18-D20 PolarHBondContact O-N 3.42Å | ||
| 19 | S | 55.8 | Low | 54.2 | Low | 71 Ų | 71 | 146.8 Ų | 146.8 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | trans | -43.7 | 104.5 | 149.7 | 48.9 | 0 | 0 | 0 | 0 | 104.2 | S17 Y21 | S17-S19 PolarHBondContact O-N 2.81Å; S19-Y21 VanDerWaalsContact CB-CD2 3.49Å; S19-Y21 PolarHBondContact O-N 3.02Å; S19-Y21 WeakPolarHBondContact OG-CD2 3.29Å | ||
| 20 | D | 57.8 | Low | 54.4 | Low | 148 Ų | 148 | 150.9 Ų | 150.9 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | trans | -61.6 | 73.1 | 167 | -85.4 | -27.8 | 0 | 0 | 0 | 105.4 | N18 T22 | N18-D20 PolarHBondContact O-N 3.42Å; D20-T22 PolarHBondContact O-N 2.98Å | ||
| 21 | Y | 53.3 | Low | 55.2 | Low | 165 Ų | 165 | 141.9 Ų | 141.9 | 65% | 0.647 | 70% | 0.702 | S | S | * | * | trans | -73.9 | 70.4 | 161.8 | -93.2 | -84.1 | 0 | 0 | 0 | 104.8 | S19 W23 | S19-Y21 VanDerWaalsContact CB-CD2 3.49Å; S19-Y21 PolarHBondContact O-N 3.02Å; S19-Y21 WeakPolarHBondContact OG-CD2 3.29Å; Y21-W23 VanDerWaalsContact C-N 3.34Å; Y21-W23 HydrophobicContact CD1-CH2 4.03Å; Y21-W23 AromaticContact CD1-CZ2 3.84Å; Y21-W23 HydrophobicContact CD1-CZ2 3.84Å; Y21-W23 HydrophobicContact CE1-CH2 4.26Å; Y21-W23 HydrophobicContact CE1-CZ2 4.43Å; Y21-W23 PolarHBondContact O-N 3.31Å; Y21-W23 VanDerWaalsContact O-N 3.16Å | ||
| 22 | T | 59.6 | Low | 55.6 | Low | 88 Ų | 88 | 142.6 Ų | 142.6 | 54% | 0.54 | 71% | 0.708 | S | S | . | * | trans | -73 | 100.5 | 163.1 | -50.3 | 0 | 0 | 0 | 0 | 104.2 | D20 E24 | D20-T22 PolarHBondContact O-N 2.98Å; T22-E24 HydrophobicContact CG2-CG 4.36Å; T22-E24 VanDerWaalsContact CG2-OE1 3.26Å; T22-E24 WeakPolarHBondContact CG2-OE1 3.26Å; T22-E24 PolarHBondContact O-N 3.15Å | ||
| 23 | W | 64.7 | Low | 55.8 | Low | 198 Ų | 198 | 141.7 Ų | 141.7 | 75% | 0.75 | 70% | 0.698 | S | S | * | * | trans | -69.4 | 83.4 | 169 | -60.9 | 102.5 | 0 | 0 | 0 | 107 | Y21 Y25 | Y21-W23 VanDerWaalsContact C-N 3.34Å; Y21-W23 HydrophobicContact CD1-CH2 4.03Å; Y21-W23 AromaticContact CD1-CZ2 3.84Å; Y21-W23 HydrophobicContact CD1-CZ2 3.84Å; Y21-W23 HydrophobicContact CE1-CH2 4.26Å; Y21-W23 HydrophobicContact CE1-CZ2 4.43Å; Y21-W23 PolarHBondContact O-N 3.31Å; Y21-W23 VanDerWaalsContact O-N 3.16Å; W23-Y25 VanDerWaalsContact C-N 3.29Å; W23-Y25 PolarHBondContact O-N 3.23Å | ||
| 24 | E | 63 | Low | 56 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -60.4 | 101.4 | 163.1 | -56.1 | -68.7 | 166.6 | 0 | 0 | 105 | T22 E26 | T22-E24 HydrophobicContact CG2-CG 4.36Å; T22-E24 VanDerWaalsContact CG2-OE1 3.26Å; T22-E24 WeakPolarHBondContact CG2-OE1 3.26Å; T22-E24 PolarHBondContact O-N 3.15Å; E24-E26 PolarHBondContact O-N 3.3Å | ||
| 25 | Y | 54.7 | Low | 56.4 | Low | 202 Ų | 202 | 136.3 Ų | 136.3 | 79% | 0.792 | 68% | 0.683 | S | S | * | * | trans | -63.4 | 94.4 | 165.1 | -92 | -92 | 0 | 0 | 0 | 105.3 | W23 Y27 | W23-Y25 VanDerWaalsContact C-N 3.29Å; W23-Y25 PolarHBondContact O-N 3.23Å; Y25-Y27 WeakPolarHBondContact O-CD2 3.46Å; Y25-Y27 PolarHBondContact O-N 3.11Å | ||
| 26 | E | 67.2 | Low | 56.9 | Low | 139 Ų | 139 | 140 Ų | 140 | 65% | 0.65 | 69% | 0.69 | S | S | * | * | trans | -54.6 | 103.3 | 161.2 | -82.1 | 178.7 | 169.3 | 0 | 0 | 105.3 | E24 Y28 | E24-E26 PolarHBondContact O-N 3.3Å; E26-Y28 HydrophobicContact CB-CE2 4.37Å; E26-Y28 VanDerWaalsContact O-CD2 3.31Å; E26-Y28 WeakPolarHBondContact O-CD2 2.97Å; E26-Y28 PolarHBondContact O-N 3.06Å | ||
| 27 | Y | 60 | Low | 57.2 | Low | 219 Ų | 219 | 136.4 Ų | 136.4 | 86% | 0.859 | 69% | 0.686 | S | S | * | * | trans | -60.3 | 89.8 | 161.3 | -82 | -95.1 | 0 | 0 | 0 | 104.5 | Y25 E29 | Y25-Y27 WeakPolarHBondContact O-CD2 3.46Å; Y25-Y27 PolarHBondContact O-N 3.11Å; Y27-E29 PolarHBondContact O-N 2.97Å | ||
| 28 | Y | 61 | Low | 57.5 | Low | 170 Ų | 170 | 136.7 Ų | 136.7 | 67% | 0.667 | 68% | 0.678 | S | S | * | * | trans | -52.9 | 105.2 | 158.1 | -68.6 | -83 | 0 | 0 | 0 | 103.9 | E26 Y30 | E26-Y28 HydrophobicContact CB-CE2 4.37Å; E26-Y28 VanDerWaalsContact O-CD2 3.31Å; E26-Y28 WeakPolarHBondContact O-CD2 2.97Å; E26-Y28 PolarHBondContact O-N 3.06Å; Y28-Y30 VanDerWaalsContact O-CD2 3.25Å; Y28-Y30 WeakPolarHBondContact O-CD2 3.43Å; Y28-Y30 PolarHBondContact O-N 3.42Å | ||
| 29 | E | 60.2 | Low | 58.1 | Low | 191 Ų | 191 | 138.9 Ų | 138.9 | 89% | 0.893 | 68% | 0.683 | S | S | * | * | trans | -56.3 | 103.7 | 168.1 | -148 | 168.4 | -156.8 | 0 | 0 | 103 | Y27 G31 | Y27-E29 PolarHBondContact O-N 2.97Å; E29-G31 PolarHBondContact O-N 2.75Å | ||
| 30 | Y | 57 | Low | 58.2 | Low | 206 Ų | 206 | 139.2 Ų | 139.2 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | trans | -65.5 | 78 | 175.6 | -78 | -92 | 0 | 0 | 0 | 105.1 | Y28 | Y28-Y30 VanDerWaalsContact O-CD2 3.25Å; Y28-Y30 WeakPolarHBondContact O-CD2 3.43Å; Y28-Y30 PolarHBondContact O-N 3.42Å | ||
| 31 | G | 65.3 | Low | 58.5 | Low | 49 Ų | 49 | 137.3 Ų | 137.3 | 51% | 0.505 | 68% | 0.676 | S | S | . | * | trans | -48.2 | 133.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 105.1 | E29 V33 | E29-G31 PolarHBondContact O-N 2.75Å; G31-V33 VanDerWaalsContact C-N 3.35Å; G31-V33 PolarHBondContact O-N 2.83Å | ||
| 32 | P | 58.1 | Low | 59.5 | Low | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 68% | 0.677 | S | S | * | * | trans | -52.3 | 106.2 | -169.9 | 21.2 | -32.6 | 0 | 0 | 0 | 107.3 | S34 | P32-S34 PolarHBondContact O-N 3.44Š| ||
| 33 | V | 53.6 | Low | 60.5 | Low | 91 Ų | 91 | 141.8 Ų | 141.8 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | trans | -48.9 | 120.2 | 171.2 | -92.7 | 0 | 0 | 0 | 0 | 104 | G31 F35 | G31-V33 VanDerWaalsContact C-N 3.35Å; G31-V33 PolarHBondContact O-N 2.83Å; V33-F35 HydrophobicContact CB-CE2 4.42Å; V33-F35 HydrophobicContact CG2-CD2 3.99Å; V33-F35 HydrophobicContact CG2-CE2 3.35Å; V33-F35 HydrophobicContact CG2-CZ 3.72Å; V33-F35 WeakPolarHBondContact O-CD2 3.4Å; V33-F35 PolarHBondContact O-N 3.34Å | ||
| 34 | S | 56.5 | Low | 61.3 | Low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 67% | 0.667 | S | S | * | * | trans | -65 | 84.6 | -169.6 | 26.5 | 0 | 0 | 0 | 0 | 109.1 | P32 E36 G37 | P32-S34 PolarHBondContact O-N 3.44Å; S34-E36 PolarHBondContact O-N 2.86Å; S34-G37 PolarHBondContact O-N 2.72Å | ||
| 35 | F | 51.9 | Low | 62.4 | Low | 133 Ų | 133 | 133.4 Ų | 133.4 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -66.1 | -2.3 | 176.5 | -77.4 | -74.8 | 0 | 0 | 0 | 112.4 | V33 G37 L38 K39 | V33-F35 HydrophobicContact CB-CE2 4.42Å; V33-F35 HydrophobicContact CG2-CD2 3.99Å; V33-F35 HydrophobicContact CG2-CE2 3.35Å; V33-F35 HydrophobicContact CG2-CZ 3.72Å; V33-F35 WeakPolarHBondContact O-CD2 3.4Å; V33-F35 PolarHBondContact O-N 3.34Å; F35-G37 PolarHBondContact O-N 3.31Å; F35-L38 HydrophobicContact CD1-CB 4.2Å; F35-L38 HydrophobicContact CD1-CD1 3.87Å; F35-L38 HydrophobicContact CD1-CD2 3.88Å; F35-L38 HydrophobicContact CD1-CG 4.19Å; F35-L38 HydrophobicContact CE1-CD2 4.11Å; F35-L38 CarbonylContact O-C 3.59Å; F35-L38 WeakPolarHBondContact O-CA 3.27Å; F35-L38 WeakPolarHBondContact O-CB 3.39Å; F35-L38 PolarHBondContact O-N 3.27Å; F35-K39 PolarHBondContact O-N 3.47Å |
| 36 | E | 57.7 | Low | 64 | Low | 137 Ų | 137 | 126.9 Ų | 126.9 | 64% | 0.64 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -71.6 | -16 | 176.9 | -155.5 | 58.8 | -160.6 | 0 | 0 | 112.4 | S34 K39 | S34-E36 PolarHBondContact O-N 2.86Å; E36-K39 IonicContact OE1-NZ 3.77Å |
| 37 | G | 52.7 | Low | 65.1 | Low | 64 Ų | 64 | 125 Ų | 125 | 66% | 0.66 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -79.6 | -18.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S34 F35 | S34-G37 PolarHBondContact O-N 2.72Å; F35-G37 PolarHBondContact O-N 3.31Å |
| 38 | L | 53.1 | Low | 66.6 | Low | 124 Ų | 124 | 116.7 Ų | 116.7 | 65% | 0.649 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -11.5 | 177.9 | -77.8 | 92.5 | 0 | 0 | 0 | 113.2 | F35 A40 | F35-L38 HydrophobicContact CD1-CB 4.2Å; F35-L38 HydrophobicContact CD1-CD1 3.87Å; F35-L38 HydrophobicContact CD1-CD2 3.88Å; F35-L38 HydrophobicContact CD1-CG 4.19Å; F35-L38 HydrophobicContact CE1-CD2 4.11Å; F35-L38 CarbonylContact O-C 3.59Å; F35-L38 WeakPolarHBondContact O-CA 3.27Å; F35-L38 WeakPolarHBondContact O-CB 3.39Å; F35-L38 PolarHBondContact O-N 3.27Å; L38-A40 VanDerWaalsContact C-N 3.33Å |
| 39 | K | 57.3 | Low | 68.2 | Low | 144 Ų | 144 | 114.4 Ų | 114.4 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -6 | 177.3 | -167.9 | 174.2 | 171.2 | -173.6 | 0 | 113.7 | F35 E36 H41 | F35-K39 PolarHBondContact O-N 3.47Å; E36-K39 IonicContact OE1-NZ 3.77Å; K39-H41 VanDerWaalsContact C-N 3.31Å; K39-H41 PolarHBondContact O-N 3.32Å |
| 40 | A | 57.5 | Low | 69.9 | Low | 78 Ų | 78 | 112.6 Ų | 112.6 | 65% | 0.645 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -16 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L38 | L38-A40 VanDerWaalsContact C-N 3.33Š|
| 41 | H | 64.6 | Low | 71.8 | Confident | 107 Ų | 107 | 106.9 Ų | 106.9 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | trans | -158.6 | 49.7 | -164.8 | -121.6 | -43 | 0 | 0 | 0 | 115.5 | K39 Y43 S44 I45 | K39-H41 VanDerWaalsContact C-N 3.31Å; K39-H41 PolarHBondContact O-N 3.32Å; H41-Y43 PolarHBondContact O-N 3.46Å; H41-S44 VanDerWaalsContact CB-CB 3.47Å; H41-S44 PolarHBondContact CD2-OG 3.3Å; H41-S44 VanDerWaalsContact CE1-CB 3.47Å; H41-S44 WeakPolarHBondContact CE1-CB 3.26Å; H41-S44 PolarHBondContact CE1-OG 3.27Å; H41-S44 WeakPolarHBondContact ND1-CA 3.29Å; H41-S44 WeakPolarHBondContact ND1-CB 3.26Å; H41-S44 PolarHBondContact ND1-N 3.29Å; H41-S44 PolarHBondContact ND1-OG 2.64Å; H41-S44 PolarHBondContact NE2-OG 2.69Å; H41-S44 PolarHBondContact O-N 3.39Å; H41-I45 PolarHBondContact O-N 2.69Å | ||
| 42 | K | 73.3 | Confident | 73.3 | Confident | 156 Ų | 156 | 106.3 Ų | 106.3 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -46.1 | -30.8 | 160.4 | -71.7 | -176.4 | 163.2 | -173.4 | 0 | 112.2 | I45 V46 | K42-I45 VanDerWaalsContact O-CG2 3.27Å; K42-I45 WeakPolarHBondContact O-CG2 3.39Å; K42-V46 WeakPolarHBondContact O-CG2 3.15Å |
| 43 | Y | 82.1 | Confident | 75.1 | Confident | 192 Ų | 192 | 103.6 Ų | 103.6 | 75% | 0.753 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -92.4 | -14.4 | 175.9 | -53 | -68.2 | 0 | 0 | 0 | 114.4 | H41 I47 | H41-Y43 PolarHBondContact O-N 3.46Å; Y43-I47 WeakPolarHBondContact O-CB 3.19Å; Y43-I47 WeakPolarHBondContact O-CG2 3.25Å; Y43-I47 PolarHBondContact O-N 2.72Å |
| 44 | S | 81.6 | Confident | 77.1 | Confident | 45 Ų | 45 | 101.7 Ų | 101.7 | 32% | 0.315 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -79.7 | -42 | 173.4 | -109.1 | 0 | 0 | 0 | 0 | 109.6 | H41 V46 I47 G48 | H41-S44 VanDerWaalsContact CB-CB 3.47Å; H41-S44 PolarHBondContact CD2-OG 3.3Å; H41-S44 VanDerWaalsContact CE1-CB 3.47Å; H41-S44 WeakPolarHBondContact CE1-CB 3.26Å; H41-S44 PolarHBondContact CE1-OG 3.27Å; H41-S44 WeakPolarHBondContact ND1-CA 3.29Å; H41-S44 WeakPolarHBondContact ND1-CB 3.26Å; H41-S44 PolarHBondContact ND1-N 3.29Å; H41-S44 PolarHBondContact ND1-OG 2.64Å; H41-S44 PolarHBondContact NE2-OG 2.69Å; H41-S44 PolarHBondContact O-N 3.39Å; S44-V46 PolarHBondContact O-N 2.73Å; S44-I47 WeakPolarHBondContact O-CG2 3.03Å; S44-I47 PolarHBondContact O-N 3.38Å; S44-G48 PolarHBondContact O-N 3.38Å |
| 45 | I | 84.4 | Confident | 79 | Confident | 127 Ų | 127 | 101 Ų | 101 | 65% | 0.651 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.9 | -38 | 177.9 | -173.3 | 60.3 | 0 | 0 | 0 | 109 | H41 K42 F49 | H41-I45 PolarHBondContact O-N 2.69Å; K42-I45 VanDerWaalsContact O-CG2 3.27Å; K42-I45 WeakPolarHBondContact O-CG2 3.39Å; I45-F49 WeakPolarHBondContact O-CB 2.97Å; I45-F49 PolarHBondContact O-N 2.73Å |
| 46 | V | 89.7 | Confident | 81.2 | Confident | 66 Ų | 66 | 100.5 Ų | 100.5 | 40% | 0.4 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69 | -49.1 | 174 | 177 | 0 | 0 | 0 | 0 | 111.9 | K42 S44 F49 W50 | K42-V46 WeakPolarHBondContact O-CG2 3.15Å; S44-V46 PolarHBondContact O-N 2.73Å; V46-F49 WeakPolarHBondContact O-CB 3.44Å; V46-F49 PolarHBondContact O-N 2.79Å; V46-W50 VanDerWaalsContact CG1-CD1 3.42Å; V46-W50 VanDerWaalsContact CG1-NE1 3.34Å; V46-W50 PolarHBondContact O-N 3.48Å |
| 47 | I | 90.3 | Very high | 83 | Confident | 99 Ų | 99 | 97.9 Ų | 97.9 | 51% | 0.508 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -41.7 | -178.8 | -164.9 | 61.6 | 0 | 0 | 0 | 112.3 | Y43 S44 F49 W50 V51 | Y43-I47 WeakPolarHBondContact O-CB 3.19Å; Y43-I47 WeakPolarHBondContact O-CG2 3.25Å; Y43-I47 PolarHBondContact O-N 2.72Å; S44-I47 WeakPolarHBondContact O-CG2 3.03Å; S44-I47 PolarHBondContact O-N 3.38Å; I47-F49 VanDerWaalsContact C-N 3.32Å; I47-W50 PolarHBondContact O-N 2.95Å; I47-V51 HydrophobicContact CD1-CG2 4.34Å; I47-V51 HydrophobicContact CG1-CG2 4.3Å; I47-V51 WeakPolarHBondContact O-CB 3.05Å; I47-V51 VanDerWaalsContact O-CG2 3.24Å; I47-V51 WeakPolarHBondContact O-CG2 3.49Å; I47-V51 PolarHBondContact O-N 2.87Å |
| 48 | G | 91.9 | Very high | 85 | Confident | 44 Ų | 44 | 99.2 Ų | 99.2 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.7 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S44 G52 | S44-G48 PolarHBondContact O-N 3.38Å; G48-G52 WeakPolarHBondContact O-CA 3.17Å; G48-G52 PolarHBondContact O-N 3.35Å |
| 49 | F | 93.1 | Very high | 87 | Confident | 122 Ų | 122 | 99.2 Ų | 99.2 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 172 | 175.5 | -98.8 | 0 | 0 | 0 | 111.9 | I45 V46 I47 G52 L53 | I45-F49 WeakPolarHBondContact O-CB 2.97Å; I45-F49 PolarHBondContact O-N 2.73Å; V46-F49 WeakPolarHBondContact O-CB 3.44Å; V46-F49 PolarHBondContact O-N 2.79Å; I47-F49 VanDerWaalsContact C-N 3.32Å; F49-G52 PolarHBondContact O-N 2.77Å; F49-L53 HydrophobicContact CE1-CD2 4.15Å; F49-L53 HydrophobicContact CZ-CD2 4.36Å; F49-L53 WeakPolarHBondContact O-CB 3.16Å; F49-L53 PolarHBondContact O-N 3.02Å |
| 50 | W | 97.4 | Very high | 88.6 | Confident | 154 Ų | 154 | 96.6 Ų | 96.6 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.3 | -44.9 | 179.9 | -74.3 | 114.4 | 0 | 0 | 0 | 112.8 | V46 I47 L53 A54 | V46-W50 VanDerWaalsContact CG1-CD1 3.42Å; V46-W50 VanDerWaalsContact CG1-NE1 3.34Å; V46-W50 PolarHBondContact O-N 3.48Å; I47-W50 PolarHBondContact O-N 2.95Å; W50-L53 HydrophobicContact CE3-CD2 4.09Å; W50-L53 HydrophobicContact CZ3-CD2 4.1Å; W50-L53 PolarHBondContact O-N 3.45Å; W50-A54 WeakPolarHBondContact O-CB 3.47Å; W50-A54 PolarHBondContact O-N 2.74Å |
| 51 | V | 96.4 | Very high | 90.3 | Very high | 86 Ų | 86 | 99.1 Ų | 99.1 | 52% | 0.521 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 110 | I47 A54 V55 | I47-V51 HydrophobicContact CD1-CG2 4.34Å; I47-V51 HydrophobicContact CG1-CG2 4.3Å; I47-V51 WeakPolarHBondContact O-CB 3.05Å; I47-V51 VanDerWaalsContact O-CG2 3.24Å; I47-V51 WeakPolarHBondContact O-CG2 3.49Å; I47-V51 PolarHBondContact O-N 2.87Å; V51-A54 PolarHBondContact O-N 3.36Å; V51-V55 WeakPolarHBondContact O-CG2 3.06Å; V51-V55 PolarHBondContact O-N 3.43Å |
| 52 | G | 95.8 | Very high | 91.6 | Very high | 37 Ų | 37 | 99.7 Ų | 99.7 | 38% | 0.381 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G48 F49 V55 F56 | G48-G52 WeakPolarHBondContact O-CA 3.17Å; G48-G52 PolarHBondContact O-N 3.35Å; F49-G52 PolarHBondContact O-N 2.77Å; G52-V55 PolarHBondContact O-N 2.74Å; G52-F56 WeakPolarHBondContact O-CB 3.45Å; G52-F56 PolarHBondContact O-N 3.46Å |
| 53 | L | 95.7 | Very high | 92.5 | Very high | 63 Ų | 63 | 94.6 Ų | 94.6 | 33% | 0.33 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 177 | 179.9 | 66.2 | 0 | 0 | 0 | 111.2 | F49 W50 F56 V57 | F49-L53 HydrophobicContact CE1-CD2 4.15Å; F49-L53 HydrophobicContact CZ-CD2 4.36Å; F49-L53 WeakPolarHBondContact O-CB 3.16Å; F49-L53 PolarHBondContact O-N 3.02Å; W50-L53 HydrophobicContact CE3-CD2 4.09Å; W50-L53 HydrophobicContact CZ3-CD2 4.1Å; W50-L53 PolarHBondContact O-N 3.45Å; L53-F56 PolarHBondContact O-N 3.46Å; L53-V57 HydrophobicContact CD1-CG2 4.18Å; L53-V57 HydrophobicContact CG-CG2 4.49Å; L53-V57 WeakPolarHBondContact O-CB 3.19Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.38Å; L53-V57 PolarHBondContact O-N 3.15Å |
| 54 | A | 97.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 89.3 Ų | 89.3 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -49.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | W50 V51 F56 V57 I58 | W50-A54 WeakPolarHBondContact O-CB 3.47Å; W50-A54 PolarHBondContact O-N 2.74Å; V51-A54 PolarHBondContact O-N 3.36Å; A54-F56 VanDerWaalsContact C-N 3.31Å; A54-F56 PolarHBondContact O-N 2.79Å; A54-V57 PolarHBondContact O-N 2.89Å; A54-I58 WeakPolarHBondContact O-CB 3.39Å; A54-I58 WeakPolarHBondContact O-CD1 3.12Å; A54-I58 WeakPolarHBondContact O-CG1 3.1Å; A54-I58 PolarHBondContact O-N 3.15Å |
| 55 | V | 96.8 | Very high | 93.2 | Very high | 91 Ų | 91 | 89.2 Ų | 89.2 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.6 | -40.8 | 176.5 | 174 | 0 | 0 | 0 | 0 | 111 | V51 G52 I58 F59 | V51-V55 WeakPolarHBondContact O-CG2 3.06Å; V51-V55 PolarHBondContact O-N 3.43Å; G52-V55 PolarHBondContact O-N 2.74Å; V55-I58 PolarHBondContact O-N 2.96Å; V55-F59 WeakPolarHBondContact O-CB 3.45Å; V55-F59 PolarHBondContact O-N 2.99Å |
| 56 | F | 96.5 | Very high | 93.3 | Very high | 123 Ų | 123 | 87.6 Ų | 87.6 | 54% | 0.539 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 179.2 | 176.3 | -100.7 | 0 | 0 | 0 | 112.4 | G52 L53 A54 I58 F59 M60 | G52-F56 WeakPolarHBondContact O-CB 3.45Å; G52-F56 PolarHBondContact O-N 3.46Å; L53-F56 PolarHBondContact O-N 3.46Å; A54-F56 VanDerWaalsContact C-N 3.31Å; A54-F56 PolarHBondContact O-N 2.79Å; F56-I58 VanDerWaalsContact C-N 3.32Å; F56-I58 PolarHBondContact O-N 2.88Å; F56-F59 PolarHBondContact O-N 2.74Å; F56-M60 VanDerWaalsContact O-CB 3.26Å; F56-M60 WeakPolarHBondContact O-CB 3.16Å; F56-M60 PolarHBondContact O-N 2.76Å |
| 57 | V | 95.5 | Very high | 93.3 | Very high | 83 Ų | 83 | 89.9 Ų | 89.9 | 50% | 0.503 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.1 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | L53 A54 F61 | L53-V57 HydrophobicContact CD1-CG2 4.18Å; L53-V57 HydrophobicContact CG-CG2 4.49Å; L53-V57 WeakPolarHBondContact O-CB 3.19Å; L53-V57 VanDerWaalsContact O-CG2 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.38Å; L53-V57 PolarHBondContact O-N 3.15Å; A54-V57 PolarHBondContact O-N 2.89Å; V57-F61 WeakPolarHBondContact O-CB 3.03Å; V57-F61 PolarHBondContact O-N 3.29Å |
| 58 | I | 95.3 | Very high | 93 | Very high | 91 Ų | 91 | 90.3 Ų | 90.3 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.6 | -44.2 | 176.9 | -68.1 | 166.6 | 0 | 0 | 0 | 111.1 | A54 V55 F56 F61 F62 | A54-I58 WeakPolarHBondContact O-CB 3.39Å; A54-I58 WeakPolarHBondContact O-CD1 3.12Å; A54-I58 WeakPolarHBondContact O-CG1 3.1Å; A54-I58 PolarHBondContact O-N 3.15Å; V55-I58 PolarHBondContact O-N 2.96Å; F56-I58 VanDerWaalsContact C-N 3.32Å; F56-I58 PolarHBondContact O-N 2.88Å; I58-F61 CarbonylContact O-C 3.52Å; I58-F61 WeakPolarHBondContact O-CA 3.47Å; I58-F61 WeakPolarHBondContact O-CB 3.34Å; I58-F61 PolarHBondContact O-N 3.39Å; I58-F61 VanDerWaalsContact O-N 3.15Å; I58-F62 HydrophobicContact CG2-CD2 3.48Å; I58-F62 VanDerWaalsContact CG2-CD2 3.48Å; I58-F62 HydrophobicContact CG2-CE2 3.19Å; I58-F62 HydrophobicContact CG2-CZ 4.26Å; I58-F62 WeakPolarHBondContact O-CD2 3.16Å; I58-F62 PolarHBondContact O-N 3.32Å |
| 59 | F | 95.3 | Very high | 92 | Very high | 125 Ų | 125 | 96 Ų | 96 | 55% | 0.548 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 176.8 | 170.5 | -101.6 | 0 | 0 | 0 | 111 | V55 F56 F61 F62 V63 | V55-F59 WeakPolarHBondContact O-CB 3.45Å; V55-F59 PolarHBondContact O-N 2.99Å; F56-F59 PolarHBondContact O-N 2.74Å; F59-F61 VanDerWaalsContact C-N 3.31Å; F59-F61 PolarHBondContact O-N 2.85Å; F59-F62 CarbonylContact O-C 3.57Å; F59-F62 PolarHBondContact O-N 3.49Å; F59-F62 VanDerWaalsContact O-N 3.15Å; F59-V63 HydrophobicContact CD1-CG2 4.27Å; F59-V63 HydrophobicContact CD2-CG2 4.11Å; F59-V63 HydrophobicContact CE1-CG2 3.83Å; F59-V63 HydrophobicContact CE2-CG2 3.65Å; F59-V63 HydrophobicContact CG-CG2 4.41Å; F59-V63 HydrophobicContact CZ-CG2 3.5Å; F59-V63 VanDerWaalsContact CZ-CG2 3.5Å; F59-V63 WeakPolarHBondContact O-CB 3.34Å; F59-V63 WeakPolarHBondContact O-CG2 3.46Å; F59-V63 PolarHBondContact O-N 2.81Å |
| 60 | M | 90 | Very high | 90.6 | Very high | 88 Ų | 88 | 95.3 Ų | 95.3 | 43% | 0.433 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 172.5 | -170.5 | -176.8 | 103.8 | 0 | 0 | 109.5 | F56 F62 V63 L64 | F56-M60 VanDerWaalsContact O-CB 3.26Å; F56-M60 WeakPolarHBondContact O-CB 3.16Å; F56-M60 PolarHBondContact O-N 2.76Å; M60-F62 VanDerWaalsContact C-N 3.33Å; M60-F62 PolarHBondContact O-N 3.43Å; M60-V63 PolarHBondContact O-N 3.01Å; M60-L64 HydrophobicContact CE-CD2 3.75Å; M60-L64 HydrophobicContact CG-CD1 3.65Å; M60-L64 HydrophobicContact CG-CD2 4.19Å; M60-L64 WeakPolarHBondContact O-CB 3.44Å; M60-L64 VanDerWaalsContact O-CD1 3.25Å; M60-L64 WeakPolarHBondContact O-CD1 3.49Å; M60-L64 PolarHBondContact O-N 3.07Å |
| 61 | F | 92.9 | Very high | 89 | Confident | 132 Ų | 132 | 90.3 Ų | 90.3 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.1 | -39.9 | 173.9 | -178.6 | -99.4 | 0 | 0 | 0 | 112.4 | V57 I58 F59 T65 | V57-F61 WeakPolarHBondContact O-CB 3.03Å; V57-F61 PolarHBondContact O-N 3.29Å; I58-F61 CarbonylContact O-C 3.52Å; I58-F61 WeakPolarHBondContact O-CA 3.47Å; I58-F61 WeakPolarHBondContact O-CB 3.34Å; I58-F61 PolarHBondContact O-N 3.39Å; I58-F61 VanDerWaalsContact O-N 3.15Å; F59-F61 VanDerWaalsContact C-N 3.31Å; F59-F61 PolarHBondContact O-N 2.85Å; F61-T65 VanDerWaalsContact CE1-OG1 3.26Å; F61-T65 WeakPolarHBondContact CE1-OG1 3.38Å; F61-T65 VanDerWaalsContact CZ-OG1 3.29Å; F61-T65 WeakPolarHBondContact CZ-OG1 3.11Å; F61-T65 WeakPolarHBondContact O-CA 3.24Å; F61-T65 WeakPolarHBondContact O-CB 3.36Å; F61-T65 PolarHBondContact O-N 2.81Å; F61-T65 PolarHBondContact O-OG1 3.21Å |
| 62 | F | 91.8 | Very high | 87.3 | Confident | 118 Ų | 118 | 89.8 Ų | 89.8 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -48.1 | 175.6 | -81.3 | -62.3 | 0 | 0 | 0 | 111.2 | I58 F59 M60 T65 L66 | I58-F62 HydrophobicContact CG2-CD2 3.48Å; I58-F62 VanDerWaalsContact CG2-CD2 3.48Å; I58-F62 HydrophobicContact CG2-CE2 3.19Å; I58-F62 HydrophobicContact CG2-CZ 4.26Å; I58-F62 WeakPolarHBondContact O-CD2 3.16Å; I58-F62 PolarHBondContact O-N 3.32Å; F59-F62 CarbonylContact O-C 3.57Å; F59-F62 PolarHBondContact O-N 3.49Å; F59-F62 VanDerWaalsContact O-N 3.15Å; M60-F62 VanDerWaalsContact C-N 3.33Å; M60-F62 PolarHBondContact O-N 3.43Å; F62-T65 CarbonylContact O-C 3.59Å; F62-T65 PolarHBondContact O-N 3.25Å; F62-L66 WeakPolarHBondContact O-CA 3.42Å; F62-L66 WeakPolarHBondContact O-CB 3.36Å; F62-L66 WeakPolarHBondContact O-CG 3.27Å; F62-L66 PolarHBondContact O-N 3.49Å |
| 63 | V | 93.5 | Very high | 85.2 | Confident | 50 Ų | 50 | 94.2 Ų | 94.2 | 30% | 0.303 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 109.7 | F59 M60 T65 L66 L67 | F59-V63 HydrophobicContact CD1-CG2 4.27Å; F59-V63 HydrophobicContact CD2-CG2 4.11Å; F59-V63 HydrophobicContact CE1-CG2 3.83Å; F59-V63 HydrophobicContact CE2-CG2 3.65Å; F59-V63 HydrophobicContact CG-CG2 4.41Å; F59-V63 HydrophobicContact CZ-CG2 3.5Å; F59-V63 VanDerWaalsContact CZ-CG2 3.5Å; F59-V63 WeakPolarHBondContact O-CB 3.34Å; F59-V63 WeakPolarHBondContact O-CG2 3.46Å; F59-V63 PolarHBondContact O-N 2.81Å; M60-V63 PolarHBondContact O-N 3.01Å; V63-T65 PolarHBondContact O-N 3.29Å; V63-L66 PolarHBondContact O-N 3.09Å; V63-L67 HydrophobicContact CG1-CD1 3.63Å; V63-L67 HydrophobicContact CG1-CG 4.13Å; V63-L67 WeakPolarHBondContact O-CB 3.01Å; V63-L67 WeakPolarHBondContact O-CG 3.37Å; V63-L67 PolarHBondContact O-N 3.47Å |
| 64 | L | 88.4 | Confident | 82.8 | Confident | 80 Ų | 80 | 100 Ų | 100 | 42% | 0.419 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 174.1 | -89.8 | 53.1 | 0 | 0 | 0 | 111.4 | M60 L67 T68 | M60-L64 HydrophobicContact CE-CD2 3.75Å; M60-L64 HydrophobicContact CG-CD1 3.65Å; M60-L64 HydrophobicContact CG-CD2 4.19Å; M60-L64 WeakPolarHBondContact O-CB 3.44Å; M60-L64 VanDerWaalsContact O-CD1 3.25Å; M60-L64 WeakPolarHBondContact O-CD1 3.49Å; M60-L64 PolarHBondContact O-N 3.07Å; L64-L67 CarbonylContact O-C 3.48Å; L64-L67 PolarHBondContact O-N 3.4Å; L64-T68 WeakPolarHBondContact O-CB 3.39Å; L64-T68 VanDerWaalsContact O-CG2 3.26Å; L64-T68 WeakPolarHBondContact O-CG2 3.03Å; L64-T68 PolarHBondContact O-N 2.91Å; L64-T68 PolarHBondContact O-OG1 3.01Å; L64-T68 VanDerWaalsContact O-OG1 3.06Å |
| 65 | T | 89.6 | Confident | 80.7 | Confident | 44 Ų | 44 | 104.4 Ų | 104.4 | 27% | 0.27 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.6 | -39.5 | 178.3 | -63.3 | 0 | 0 | 0 | 0 | 110.9 | F61 F62 V63 T68 K69 | F61-T65 VanDerWaalsContact CE1-OG1 3.26Å; F61-T65 WeakPolarHBondContact CE1-OG1 3.38Å; F61-T65 VanDerWaalsContact CZ-OG1 3.29Å; F61-T65 WeakPolarHBondContact CZ-OG1 3.11Å; F61-T65 WeakPolarHBondContact O-CA 3.24Å; F61-T65 WeakPolarHBondContact O-CB 3.36Å; F61-T65 PolarHBondContact O-N 2.81Å; F61-T65 PolarHBondContact O-OG1 3.21Å; F62-T65 CarbonylContact O-C 3.59Å; F62-T65 PolarHBondContact O-N 3.25Å; V63-T65 PolarHBondContact O-N 3.29Å; T65-T68 VanDerWaalsContact CA-OG1 3.29Å; T65-T68 WeakPolarHBondContact CA-OG1 3.25Å; T65-T68 PolarHBondContact O-N 2.78Å; T65-T68 PolarHBondContact O-OG1 2.8Å; T65-K69 WeakPolarHBondContact O-CA 3.47Å; T65-K69 WeakPolarHBondContact O-CB 3.5Å; T65-K69 PolarHBondContact O-N 3.41Å |
| 66 | L | 87.5 | Confident | 78.8 | Confident | 92 Ų | 92 | 105.8 Ų | 105.8 | 48% | 0.482 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70 | -38.7 | 176.6 | -72.5 | 172.1 | 0 | 0 | 0 | 110.5 | F62 V63 T68 K69 T70 | F62-L66 WeakPolarHBondContact O-CA 3.42Å; F62-L66 WeakPolarHBondContact O-CB 3.36Å; F62-L66 WeakPolarHBondContact O-CG 3.27Å; F62-L66 PolarHBondContact O-N 3.49Å; V63-L66 PolarHBondContact O-N 3.09Å; L66-T68 VanDerWaalsContact C-N 3.34Å; L66-K69 PolarHBondContact O-N 3.19Å; L66-T70 WeakPolarHBondContact O-CA 3.26Å; L66-T70 WeakPolarHBondContact O-CB 3.47Å; L66-T70 PolarHBondContact O-N 3.33Å; L66-T70 PolarHBondContact O-OG1 2.89Å |
| 67 | L | 87.8 | Confident | 76.4 | Confident | 114 Ų | 114 | 107.2 Ų | 107.2 | 60% | 0.597 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -69.9 | -30.1 | 174.2 | -71.4 | 172.5 | 0 | 0 | 0 | 111.5 | V63 L64 G71 | V63-L67 HydrophobicContact CG1-CD1 3.63Å; V63-L67 HydrophobicContact CG1-CG 4.13Å; V63-L67 WeakPolarHBondContact O-CB 3.01Å; V63-L67 WeakPolarHBondContact O-CG 3.37Å; V63-L67 PolarHBondContact O-N 3.47Å; L64-L67 CarbonylContact O-C 3.48Å; L64-L67 PolarHBondContact O-N 3.4Å; L67-G71 WeakPolarHBondContact O-CA 3.16Å; L67-G71 PolarHBondContact O-N 2.98Å |
| 68 | T | 84.8 | Confident | 74.3 | Confident | 108 Ų | 108 | 108 Ų | 108 | 66% | 0.663 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -84.2 | -29.1 | 172.6 | 56.7 | 0 | 0 | 0 | 0 | 112.5 | L64 T65 L66 | L64-T68 WeakPolarHBondContact O-CB 3.39Å; L64-T68 VanDerWaalsContact O-CG2 3.26Å; L64-T68 WeakPolarHBondContact O-CG2 3.03Å; L64-T68 PolarHBondContact O-N 2.91Å; L64-T68 PolarHBondContact O-OG1 3.01Å; L64-T68 VanDerWaalsContact O-OG1 3.06Å; T65-T68 VanDerWaalsContact CA-OG1 3.29Å; T65-T68 WeakPolarHBondContact CA-OG1 3.25Å; T65-T68 PolarHBondContact O-N 2.78Å; T65-T68 PolarHBondContact O-OG1 2.8Å; L66-T68 VanDerWaalsContact C-N 3.34Å |
| 69 | K | 71.9 | Confident | 71.7 | Confident | 163 Ų | 163 | 111.2 Ų | 111.2 | 71% | 0.709 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -81.4 | -20.9 | 177.2 | -177.3 | 178.2 | 125.9 | 71.3 | 0 | 112.3 | T65 L66 | T65-K69 WeakPolarHBondContact O-CA 3.47Å; T65-K69 WeakPolarHBondContact O-CB 3.5Å; T65-K69 PolarHBondContact O-N 3.41Å; L66-K69 PolarHBondContact O-N 3.19Å |
| 70 | T | 63.7 | Low | 69.5 | Low | 109 Ų | 109 | 111.2 Ų | 111.2 | 67% | 0.669 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -118.2 | 7.2 | 175.2 | -30.8 | 0 | 0 | 0 | 0 | 111.2 | L66 A72 | L66-T70 WeakPolarHBondContact O-CA 3.26Å; L66-T70 WeakPolarHBondContact O-CB 3.47Å; L66-T70 PolarHBondContact O-N 3.33Å; L66-T70 PolarHBondContact O-OG1 2.89Å; T70-A72 PolarHBondContact O-N 3.15Å |
| 71 | G | 62.8 | Low | 67.3 | Low | 48 Ų | 48 | 111.4 Ų | 111.4 | 50% | 0.495 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -88.5 | 92.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | L67 | L67-G71 WeakPolarHBondContact O-CA 3.16Å; L67-G71 PolarHBondContact O-N 2.98Å |
| 72 | A | 59.9 | Low | 65 | Low | 75 Ų | 75 | 112 Ų | 112 | 62% | 0.62 | 63% | 0.631 | S | S | * | * | S | Bend | trans | 73.6 | 118 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T70 H74 | T70-A72 PolarHBondContact O-N 3.15Å; A72-H74 PolarHBondContact O-N 2.78Å |
| 73 | P | 52.4 | Low | 62.8 | Low | 131 Ų | 131 | 115.7 Ų | 115.7 | 85% | 0.851 | 65% | 0.647 | S | S | * | * | trans | -70.1 | 77 | 164.3 | 30.6 | -30.6 | 0 | 0 | 0 | 107.8 | Q75 | P73-Q75 PolarHBondContact O-N 2.74Š| ||
| 74 | H | 46.1 | Very low | 60.3 | Low | 184 Ų | 184 | 122.3 Ų | 122.3 | 85% | 0.852 | 67% | 0.667 | S | S | * | * | trans | -90.7 | 102.7 | 165.3 | -157.1 | 47.9 | 0 | 0 | 0 | 109.4 | A72 | A72-H74 PolarHBondContact O-N 2.78Š| ||
| 75 | Q | 52.3 | Low | 57.9 | Low | 143 Ų | 143 | 127.8 Ų | 127.8 | 67% | 0.668 | 69% | 0.688 | S | S | * | * | trans | -47.5 | 147.8 | 177.5 | -71.8 | -164.9 | -87.8 | 0 | 0 | 114.7 | P73 | P73-Q75 PolarHBondContact O-N 2.74Š| ||
| 76 | D | 56.5 | Low | 55.9 | Low | 120 Ų | 120 | 137.3 Ų | 137.3 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 81.6 | 116.3 | 144.2 | -57.1 | -21.2 | 0 | 0 | 0 | 119.6 | ||
| 77 | N | 46.7 | Very low | 53.5 | Low | 153 Ų | 153 | 139.9 Ų | 139.9 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 71.2 | 66.5 | 150.7 | -60.6 | -55.8 | 0 | 0 | 0 | 118.1 | E79 | N77-E79 PolarHBondContact O-N 2.81Š| ||
| 78 | A | 51.3 | Low | 51 | Low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -89.2 | 84 | 144.1 | 0 | 0 | 0 | 0 | 0 | 108 | P80 | A78-P80 WeakPolarHBondContact O-CD 3.35Š| ||
| 79 | E | 41.3 | Very low | 49.2 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -47.4 | 127.3 | 157.9 | -102.6 | -156.8 | 107.2 | 0 | 0 | 107.8 | N77 S81 | N77-E79 PolarHBondContact O-N 2.81Å; E79-S81 PolarHBondContact O-N 2.81Å | ||
| 80 | P | 47.3 | Very low | 47.7 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -69.7 | 74 | 161 | 29.8 | -30.5 | 0 | 0 | 0 | 106.9 | A78 E82 | A78-P80 WeakPolarHBondContact O-CD 3.35Å; P80-E82 PolarHBondContact O-N 2.92Å | ||
| 81 | S | 45.8 | Very low | 46.7 | Very low | 91 Ų | 91 | 143.6 Ų | 143.6 | 64% | 0.636 | 76% | 0.755 | S | S | * | * | trans | -57.3 | 117.8 | 178.6 | 57.8 | 0 | 0 | 0 | 0 | 107.9 | E79 K83 | E79-S81 PolarHBondContact O-N 2.81Å; S81-K83 VanDerWaalsContact C-N 3.26Å; S81-K83 PolarHBondContact O-N 2.85Å | ||
| 82 | E | 43.8 | Very low | 45.8 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | trans | -44.9 | 86.2 | 171.1 | -57 | 176.2 | 158.7 | 0 | 0 | 110 | P80 R84 | P80-E82 PolarHBondContact O-N 2.92Å; E82-R84 PolarHBondContact O-N 3.16Å; E82-R84 IonicContact OE2-CZ 3.6Å; E82-R84 IonicContact OE2-NE 3.64Å; E82-R84 IonicContact OE2-NH2 2.83Å; E82-R84 PolarHBondContact OE2-NH2 2.89Å | ||
| 83 | K | 44.4 | Very low | 45.3 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 85% | 0.852 | 76% | 0.763 | S | S | * | * | trans | -77 | 73.6 | 167.7 | -163 | 174.4 | -178 | 177.8 | 0 | 107.3 | S81 F85 | S81-K83 VanDerWaalsContact C-N 3.26Å; S81-K83 PolarHBondContact O-N 2.85Å; K83-F85 PolarHBondContact O-N 2.65Å; K83-F85 VanDerWaalsContact O-N 3.17Å | ||
| 84 | R | 42.8 | Very low | 44.8 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | -43.2 | 121.5 | 159 | -68 | 178.6 | -169 | 163 | 8.8 | 106.5 | E82 R86 | E82-R84 PolarHBondContact O-N 3.16Å; E82-R84 IonicContact OE2-CZ 3.6Å; E82-R84 IonicContact OE2-NE 3.64Å; E82-R84 IonicContact OE2-NH2 2.83Å; E82-R84 PolarHBondContact OE2-NH2 2.89Å; R84-R86 PolarHBondContact O-N 2.84Å | ||
| 85 | F | 36.7 | Very low | 44.3 | Very low | 195 Ų | 195 | 145 Ų | 145 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -48.6 | 96.7 | 161.1 | -96.3 | -102.8 | 0 | 0 | 0 | 107.8 | K83 M87 | K83-F85 PolarHBondContact O-N 2.65Å; K83-F85 VanDerWaalsContact O-N 3.17Å; F85-M87 PolarHBondContact O-N 2.83Å | ||
| 86 | R | 47.2 | Very low | 43.6 | Very low | 244 Ų | 244 | 150 Ų | 150 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 74.8 | 176.3 | -168.7 | -167.5 | -142.1 | -120.6 | 6.5 | 107.2 | R84 | R84-R86 PolarHBondContact O-N 2.84Š| ||
| 87 | M | 37.1 | Very low | 43 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | trans | -90.1 | 115.3 | 174.7 | -158.7 | 103.8 | 94.8 | 0 | 0 | 109.1 | F85 | F85-M87 PolarHBondContact O-N 2.83Š| ||
| 88 | N | 35.4 | Very low | 42.8 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 76.8 | 88.7 | 154.9 | -53.5 | -22.5 | 0 | 0 | 0 | 119 | F90 | N88-F90 PolarHBondContact O-N 2.7Š| ||
| 89 | S | 47.9 | Very low | 42.3 | Very low | 108 Ų | 108 | 154 Ų | 154 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | -61.2 | 113.3 | 139.3 | 155 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 90 | F | 39.3 | Very low | 42.3 | Very low | 189 Ų | 189 | 151.8 Ų | 151.8 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -148.7 | 89.6 | 149.6 | -129.6 | -88.9 | 0 | 0 | 0 | 109.3 | N88 A92 | N88-F90 PolarHBondContact O-N 2.7Å; F90-A92 HydrophobicContact CD1-CB 3.93Å; F90-A92 HydrophobicContact CE1-CB 4.02Å | ||
| 91 | V | 43.3 | Very low | 41.7 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | trans | -84.6 | 107.5 | 156.2 | 164.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 92 | A | 44.8 | Very low | 41.4 | Very low | 69 Ų | 69 | 157.9 Ų | 157.9 | 57% | 0.57 | 78% | 0.776 | S | S | * | * | trans | -128 | 92.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | F90 | F90-A92 HydrophobicContact CD1-CB 3.93Å; F90-A92 HydrophobicContact CE1-CB 4.02Å | ||
| 93 | D | 48.2 | Very low | 40.9 | Very low | 134 Ų | 134 | 156.7 Ų | 156.7 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | -68.7 | 114 | 165.5 | 172.9 | 28.9 | 0 | 0 | 0 | 108.7 | ||||
| 94 | F | 41.8 | Very low | 40.5 | Very low | 201 Ų | 201 | 156.5 Ų | 156.5 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | trans | -142.6 | 113.5 | 150.9 | -77.7 | -71.1 | 0 | 0 | 0 | 108.7 | ||||
| 95 | G | 37.1 | Very low | 40.3 | Very low | 65 Ų | 65 | 152.1 Ų | 152.1 | 67% | 0.67 | 78% | 0.777 | S | S | * | * | trans | -70.6 | 155.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 96 | R | 37.5 | Very low | 40.5 | Very low | 246 Ų | 246 | 151.3 Ų | 151.3 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | 107 | 145.7 | 151.4 | -75.7 | -140.6 | -69.7 | -119.2 | -2.2 | 119.1 | ||||
| 97 | P | 43.9 | Very low | 39.9 | Very low | 112 Ų | 112 | 148.3 Ų | 148.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | -115.8 | 145.9 | -127 | 38.7 | -28.7 | 0 | 0 | 0 | 112.7 | |||||
| 98 | L | 40.6 | Very low | 40 | Very low | 172 Ų | 172 | 149.3 Ų | 149.3 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | -153.9 | 105.9 | 158.2 | -153.9 | 66.3 | 0 | 0 | 0 | 111.5 | ||||
| 99 | E | 41.5 | Very low | 40.6 | Very low | 174 Ų | 174 | 146.8 Ų | 146.8 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -9.6 | 130 | 152 | -72.2 | -73 | 135.1 | 0 | 0 | 117.6 | ||||
| 100 | S | 41.4 | Very low | 40.3 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | trans | 175.4 | 71 | 157.9 | 160.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 101 | E | 34.1 | Very low | 40.8 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | 70.4 | 114.7 | 96.1 | -167.8 | 173 | -179.2 | 0 | 0 | 115.3 | |||||
| 102 | R | 41 | Very low | 41.1 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 78% | 0.781 | 78% | 0.78 | S | S | * | * | trans | 67.6 | 121.2 | 159.8 | -79.1 | -173.8 | -96.8 | 165.6 | -5.5 | 115.3 | ||||
| 103 | V | 32.9 | Very low | 41.3 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | cis | -166.4 | 135.8 | 48.1 | 174.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 104 | F | 36.5 | Very low | 41.7 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | 6.7 | 118.9 | 159 | -57.4 | -87.9 | 0 | 0 | 0 | 118.3 | ||||
| 105 | S | 38.2 | Very low | 42.2 | Very low | 99 Ų | 99 | 153 Ų | 153 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | 56.1 | 129.8 | 64.7 | -163.3 | 0 | 0 | 0 | 0 | 115 | |||||
| 106 | H | 39.8 | Very low | 42.8 | Very low | 177 Ų | 177 | 159.1 Ų | 159.1 | 82% | 0.819 | 80% | 0.803 | S | S | * | * | trans | 70.2 | 119.1 | -174.1 | -77 | -97.8 | 0 | 0 | 0 | 113.9 | ||||
| 107 | Q | 36.3 | Very low | 43.5 | Very low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | -161.8 | 113.9 | 64.6 | -157.8 | 162.9 | 32.8 | 0 | 0 | 109.5 | |||||
| 108 | I | 38.9 | Very low | 43.9 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -95.1 | 141.4 | 173.1 | -151.4 | 153.6 | 0 | 0 | 0 | 107 | ||||
| 109 | A | 48.2 | Very low | 44.6 | Very low | 83 Ų | 83 | 154.1 Ų | 154.1 | 69% | 0.686 | 78% | 0.784 | S | S | * | * | trans | 69.2 | 136 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 110 | E | 41.8 | Very low | 45.3 | Very low | 165 Ų | 165 | 153.1 Ų | 153.1 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | trans | 142 | 10.6 | 164.4 | -75 | -66.3 | 151.7 | 0 | 0 | 113.3 | ||||
| 111 | E | 47.9 | Very low | 45.8 | Very low | 191 Ų | 191 | 153.3 Ų | 153.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -110 | 66.5 | 173.1 | -66.2 | -173.3 | 159 | 0 | 0 | 112.1 | ||
| 112 | S | 50.1 | Low | 46.8 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -173.6 | 30 | 164.1 | -83.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 113 | R | 49.5 | Very low | 47.3 | Very low | 220 Ų | 220 | 150.7 Ų | 150.7 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | trans | -126 | 20.5 | 177.7 | -54 | -172.7 | 94.6 | 116.3 | 1.1 | 115.1 | ||||
| 114 | S | 56.1 | Low | 48.2 | Very low | 120 Ų | 120 | 153.1 Ų | 153.1 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -102.2 | 16.5 | -164.1 | -170.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 115 | L | 53.5 | Low | 48.7 | Very low | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -124.3 | -2.8 | -179.6 | -109.3 | 161.6 | 0 | 0 | 0 | 116.8 | ||
| 116 | F | 49.1 | Very low | 48.7 | Very low | 194 Ų | 194 | 154.6 Ų | 154.6 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -127.7 | 14.6 | 177.2 | -64.5 | -74.7 | 0 | 0 | 0 | 114.3 | ||
| 117 | H | 52.8 | Low | 48.7 | Very low | 160 Ų | 160 | 151.8 Ų | 151.8 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -115.1 | 7.5 | -177.5 | -157.1 | -83.1 | 0 | 0 | 0 | 114.4 | ||
| 118 | F | 52.1 | Low | 48.8 | Very low | 157 Ų | 157 | 152 Ų | 152 | 69% | 0.689 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -96.7 | -21.3 | 171.4 | -167.9 | -99.4 | 0 | 0 | 0 | 113.2 | ||
| 119 | C | 54.9 | Low | 48.5 | Very low | 108 Ų | 108 | 148 Ų | 148 | 73% | 0.73 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -94.4 | -2.2 | -174.8 | -66.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 120 | I | 56.8 | Low | 48.2 | Very low | 152 Ų | 152 | 153.5 Ų | 153.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -116 | 59.7 | 169.6 | -57.8 | 172.9 | 0 | 0 | 0 | 107.3 | ||
| 121 | N | 51.7 | Low | 47.8 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -155.6 | -11.1 | 165.1 | -165 | 64.7 | 0 | 0 | 0 | 111.3 | V123 | N121-V123 PolarHBondContact O-N 3.1Š|
| 122 | E | 54.3 | Low | 46.9 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 72% | 0.715 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 7.2 | -173.7 | -133.6 | -164.5 | 117.6 | 0 | 0 | 115.1 | ||
| 123 | V | 51.5 | Low | 46.1 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -4.4 | -176.5 | -166.6 | 0 | 0 | 0 | 0 | 113.9 | N121 | N121-V123 PolarHBondContact O-N 3.1Š|
| 124 | E | 52.8 | Low | 45.1 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -122.3 | 7 | -170.5 | -62.6 | -163.6 | 132.7 | 0 | 0 | 116.9 | ||
| 125 | H | 45.5 | Very low | 43.8 | Very low | 168 Ų | 168 | 151.5 Ų | 151.5 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | -121.2 | 66.9 | 174.8 | -75.7 | -78 | 0 | 0 | 0 | 114 | ||||
| 126 | L | 39.5 | Very low | 42.8 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -16.2 | 126 | 135.5 | -173.9 | 65.6 | 0 | 0 | 0 | 115.4 | ||||
| 127 | D | 38.7 | Very low | 41.8 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | trans | 73.1 | 146.2 | 132.6 | -163.9 | 34.2 | 0 | 0 | 0 | 120.3 | ||||
| 128 | K | 38.5 | Very low | 41.2 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | 79.4 | 118.2 | 165.1 | -47.1 | -174.7 | 177.1 | 170.2 | 0 | 118.3 | ||||
| 129 | G | 33.9 | Very low | 40.4 | Very low | 80 Ų | 80 | 148.9 Ų | 148.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 155.9 | 98.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 130 | K | 40.9 | Very low | 39.5 | Very low | 199 Ų | 199 | 148.2 Ų | 148.2 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | trans | -65.2 | 146.4 | 178.4 | -77.3 | 171.1 | 168.6 | 179.1 | 0 | 114.7 | ||||
| 131 | Q | 33.2 | Very low | 38.2 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | 70.6 | 120.2 | 129.9 | -167.1 | 176.3 | 27.3 | 0 | 0 | 120.4 | |||||
| 132 | S | 29.9 | Very low | 37.8 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | -169.8 | 151.5 | 120.5 | -162.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 133 | H | 32.2 | Very low | 36.5 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 75% | 0.745 | 80% | 0.798 | S | S | * | * | trans | -91.4 | 145.1 | -159.6 | -79.6 | -106.8 | 0 | 0 | 0 | 116.6 | ||||
| 134 | R | 29.8 | Very low | 36 | Very low | 255 Ų | 255 | 151.3 Ų | 151.3 | 96% | 0.962 | 80% | 0.802 | S | S | * | * | trans | 170.1 | 126.5 | 130.5 | -107.7 | -175.8 | -175.1 | -136.1 | 2 | 107.4 | ||||
| 135 | G | 29.2 | Very low | 35.1 | Very low | 78 Ų | 78 | 150.9 Ų | 150.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | cis | 133.6 | 82.4 | 10.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 136 | M | 30.5 | Very low | 34.7 | Very low | 194 Ų | 194 | 150.8 Ų | 150.8 | 96% | 0.956 | 80% | 0.8 | S | S | * | * | trans | -171 | 117.4 | 156.7 | -152.5 | 132.1 | 72.4 | 0 | 0 | 106.2 | ||||
| 137 | G | 29.5 | Very low | 34.7 | Very low | 69 Ų | 69 | 148.7 Ų | 148.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 119 | 63.8 | 17.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 138 | L | 39.7 | Very low | 34.9 | Very low | 174 Ų | 174 | 147.6 Ų | 147.6 | 91% | 0.911 | 79% | 0.792 | S | S | * | * | trans | -153.1 | 97.6 | 159.9 | -146 | 84.2 | 0 | 0 | 0 | 111.5 | ||||
| 139 | E | 35 | Very low | 34.8 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | 43.7 | 137.4 | 135.5 | -141.7 | -93.6 | 157.6 | 0 | 0 | 122.2 | ||||
| 140 | S | 35.7 | Very low | 34.7 | Very low | 93 Ų | 93 | 151.2 Ų | 151.2 | 65% | 0.65 | 79% | 0.793 | S | S | * | * | trans | -102.6 | 134.2 | -166.9 | 124.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 141 | S | 29.6 | Very low | 34.8 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -150.4 | 118.4 | 146.3 | 47.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 142 | I | 44.3 | Very low | 35.1 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -73.3 | 125.1 | 170.9 | -63.1 | 170.3 | 0 | 0 | 0 | 107.7 | ||||
| 143 | H | 27.3 | Very low | 35.6 | Very low | 142 Ų | 142 | 146 Ų | 146 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | -160.3 | 79.2 | 147.5 | -160.9 | 50.6 | 0 | 0 | 0 | 110.9 | Q145 | H143-Q145 PolarHBondContact NE2-NE2 3.1Å; H143-Q145 PolarHBondContact O-N 3.05Å | ||
| 144 | F | 40.6 | Very low | 36.1 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | trans | -83.9 | 97.1 | 156.6 | -79.1 | -82.7 | 0 | 0 | 0 | 107 | E146 | F144-E146 PolarHBondContact O-N 2.97Š| ||
| 145 | Q | 34.7 | Very low | 37 | Very low | 161 Ų | 161 | 142.1 Ų | 142.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | -70.5 | 107.3 | 169.2 | -174.5 | 163.1 | 80.4 | 0 | 0 | 108.8 | H143 | H143-Q145 PolarHBondContact NE2-NE2 3.1Å; H143-Q145 PolarHBondContact O-N 3.05Å | ||
| 146 | E | 36.9 | Very low | 38 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | -77.7 | 164.3 | 168 | -168 | -174.3 | 158.5 | 0 | 0 | 110.8 | F144 | F144-E146 PolarHBondContact O-N 2.97Š| ||
| 147 | V | 38.3 | Very low | 38.6 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | trans | 112.6 | 137.2 | 148.8 | -179 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 148 | P | 43 | Very low | 39.4 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | cis | -141.3 | 155.2 | -14.7 | 33.4 | -13.7 | 0 | 0 | 0 | 118.9 | ||||
| 149 | R | 37 | Very low | 39.9 | Very low | 231 Ų | 231 | 140.7 Ų | 140.7 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | trans | 59.3 | 119.6 | 133.2 | -68 | 179.6 | 168.9 | 88.3 | 3.1 | 122.2 | ||||
| 150 | S | 32.4 | Very low | 40.6 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | -168.4 | 102.6 | 105.1 | 57.7 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 151 | S | 42.8 | Very low | 41.3 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | 39.7 | 101.3 | 91.2 | -177.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 152 | G | 37.9 | Very low | 42.4 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 162.6 | 72.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 153 | R | 41.2 | Very low | 43 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 64% | 0.638 | 73% | 0.733 | S | S | * | * | trans | 56.5 | 84.7 | 138.9 | -159.1 | 169.6 | 176.3 | -120.7 | -10 | 117.4 | E155 D156 | R153-E155 HydrophobicContact CG-CB 3.75Å; R153-E155 HydrophobicContact CG-CG 4.17Å; R153-E155 PolarHBondContact O-N 3.04Å; R153-D156 IonicContact CZ-OD1 3.03Å; R153-D156 IonicContact CZ-OD2 3.31Å; R153-D156 VanDerWaalsContact CZ-OD2 3.31Å; R153-D156 IonicContact NE-OD1 3.94Å; R153-D156 IonicContact NE-OD2 3.73Å; R153-D156 IonicContact NH1-OD1 2.82Å; R153-D156 PolarHBondContact NH1-OD1 2.66Å; R153-D156 IonicContact NH1-OD2 2.79Å; R153-D156 PolarHBondContact NH1-OD2 3.4Å; R153-D156 IonicContact NH2-OD1 2.9Å; R153-D156 PolarHBondContact NH2-OD1 2.97Å; R153-D156 IonicContact NH2-OD2 3.97Å | ||
| 154 | F | 41.8 | Very low | 44.2 | Very low | 192 Ų | 192 | 143.4 Ų | 143.4 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | 51.1 | 163 | -139.6 | -86.4 | 0 | 0 | 0 | 110.7 | ||
| 155 | E | 49 | Very low | 45 | Very low | 144 Ų | 144 | 141 Ų | 141 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.1 | 7.1 | -174 | -62.5 | -111.6 | 105.2 | 0 | 0 | 113.1 | R153 | R153-E155 HydrophobicContact CG-CB 3.75Å; R153-E155 HydrophobicContact CG-CG 4.17Å; R153-E155 PolarHBondContact O-N 3.04Å |
| 156 | D | 51.1 | Low | 46 | Very low | 77 Ų | 77 | 140.4 Ų | 140.4 | 41% | 0.412 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -105.9 | -8.8 | -175 | -70.2 | -51.3 | 0 | 0 | 0 | 114.3 | R153 | R153-D156 IonicContact CZ-OD1 3.03Å; R153-D156 IonicContact CZ-OD2 3.31Å; R153-D156 VanDerWaalsContact CZ-OD2 3.31Å; R153-D156 IonicContact NE-OD1 3.94Å; R153-D156 IonicContact NE-OD2 3.73Å; R153-D156 IonicContact NH1-OD1 2.82Å; R153-D156 PolarHBondContact NH1-OD1 2.66Å; R153-D156 IonicContact NH1-OD2 2.79Å; R153-D156 PolarHBondContact NH1-OD2 3.4Å; R153-D156 IonicContact NH2-OD1 2.9Å; R153-D156 PolarHBondContact NH2-OD1 2.97Å; R153-D156 IonicContact NH2-OD2 3.97Å |
| 157 | D | 42.3 | Very low | 46.7 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -94.3 | -13.2 | -176 | -76.4 | -15.5 | 0 | 0 | 0 | 115 | ||
| 158 | L | 46.7 | Very low | 47.5 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -89.8 | -11 | 176.1 | -79.4 | 131 | 0 | 0 | 0 | 113.5 | ||
| 159 | N | 50.7 | Low | 48.1 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 2.5 | -175.6 | -113 | 13.4 | 0 | 0 | 0 | 114.5 | ||
| 160 | C | 49.3 | Very low | 48.4 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -10.7 | 174.6 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 161 | L | 51.3 | Low | 48.9 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -92.9 | -2.7 | -172.5 | -160.5 | 65.3 | 0 | 0 | 0 | 114.7 | ||
| 162 | T | 51.2 | Low | 49.3 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -130.9 | 30.4 | -170.9 | -27.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 163 | K | 58.6 | Low | 49.4 | Very low | 174 Ų | 174 | 142.3 Ų | 142.3 | 76% | 0.757 | 73% | 0.729 | S | S | * | * | trans | -121.8 | 79 | 173.3 | 114 | -173.9 | -179.3 | -152.2 | 0 | 111.2 | ||||
| 164 | F | 51.8 | Low | 49.9 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -106.7 | 98.4 | 158.2 | -71.6 | -80.4 | 0 | 0 | 0 | 107.4 | I166 | F164-I166 PolarHBondContact O-N 2.7Š| ||
| 165 | N | 58.2 | Low | 49.8 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | trans | -80.5 | 105.3 | 163.7 | -90.4 | -77.9 | 0 | 0 | 0 | 106.8 | P167 | N165-P167 VanDerWaalsContact O-CD 3.29Å; N165-P167 WeakPolarHBondContact O-CD 3.31Å | ||
| 166 | I | 55 | Low | 49.5 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 75% | 0.753 | S | S | * | * | trans | -76.9 | 114.6 | 171 | -60.2 | 161.7 | 0 | 0 | 0 | 106.4 | F164 N168 | F164-I166 PolarHBondContact O-N 2.7Å; I166-N168 PolarHBondContact O-N 2.64Å | ||
| 167 | P | 52.1 | Low | 49 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -68.9 | 103.6 | 164.5 | -6.1 | 24.2 | 0 | 0 | 0 | 106.3 | N165 F169 | N165-P167 VanDerWaalsContact O-CD 3.29Å; N165-P167 WeakPolarHBondContact O-CD 3.31Å; P167-F169 PolarHBondContact O-N 2.82Å | ||
| 168 | N | 55.1 | Low | 49.4 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | trans | -49 | 124.4 | 159.5 | -177.3 | 6.7 | 0 | 0 | 0 | 107.8 | I166 | I166-N168 PolarHBondContact O-N 2.64Š| ||
| 169 | F | 54 | Low | 49.1 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | 166.8 | 98.4 | 135.2 | -76.9 | -57.5 | 0 | 0 | 0 | 108.8 | P167 | P167-F169 PolarHBondContact O-N 2.82Š| ||
| 170 | V | 44.2 | Very low | 48.8 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -125.3 | 114.8 | 153 | 176.9 | 0 | 0 | 0 | 0 | 105.9 | T172 | V170-T172 PolarHBondContact O-N 3.12Š| ||
| 171 | N | 43.6 | Very low | 48.7 | Very low | 115 Ų | 115 | 144.6 Ų | 144.6 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -71.1 | 112.3 | 172.7 | -169 | -13 | 0 | 0 | 0 | 108 | E173 | N171-E173 VanDerWaalsContact C-N 3.34Å; N171-E173 HydrophobicContact CB-CG 4.44Å; N171-E173 VanDerWaalsContact ND2-CD 3.27Å; N171-E173 PolarHBondContact ND2-OE1 2.69Å; N171-E173 PolarHBondContact O-N 3.32Å; N171-E173 VanDerWaalsContact O-N 3.12Å | ||
| 172 | T | 49.9 | Very low | 48.6 | Very low | 128 Ų | 128 | 145.2 Ų | 145.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -79.7 | 84.9 | 173.1 | -52.5 | 0 | 0 | 0 | 0 | 108.6 | V170 | V170-T172 PolarHBondContact O-N 3.12Š| ||
| 173 | E | 41.3 | Very low | 48.7 | Very low | 147 Ų | 147 | 147 Ų | 147 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | -112.8 | 93.7 | 166.5 | 32.2 | -158.2 | 175.1 | 0 | 0 | 110.5 | N171 | N171-E173 VanDerWaalsContact C-N 3.34Å; N171-E173 HydrophobicContact CB-CG 4.44Å; N171-E173 VanDerWaalsContact ND2-CD 3.27Å; N171-E173 PolarHBondContact ND2-OE1 2.69Å; N171-E173 PolarHBondContact O-N 3.32Å; N171-E173 VanDerWaalsContact O-N 3.12Å | ||
| 174 | Q | 50.6 | Low | 48.3 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | 12.5 | 112.8 | 138.6 | -61.2 | 176.2 | 51.6 | 0 | 0 | 115.6 | ||||
| 175 | N | 40.5 | Very low | 48 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | trans | -161.2 | 82.2 | 138.8 | -96.7 | 0.1 | 0 | 0 | 0 | 109.1 | ||||
| 176 | S | 41.6 | Very low | 47.4 | Very low | 133 Ų | 133 | 143 Ų | 143 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -94.9 | 105.8 | 155.8 | -74.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 177 | S | 41.3 | Very low | 47 | Very low | 109 Ų | 109 | 144.3 Ų | 144.3 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -131.1 | 94.5 | 158.6 | 179.4 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 178 | L | 50.3 | Low | 46.8 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | 43.7 | 100.4 | 99.5 | -166.1 | 72.8 | 0 | 0 | 0 | 111 | |||||
| 179 | G | 40.2 | Very low | 46.6 | Very low | 67 Ų | 67 | 143.3 Ų | 143.3 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -166.2 | 87.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 180 | E | 45.7 | Very low | 46.4 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -38.1 | 141.7 | 156.3 | 57.5 | -137.4 | 159.3 | 0 | 0 | 112.6 | ||||
| 181 | D | 46.5 | Very low | 46.4 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -177.2 | 105.4 | 132.6 | -86.9 | -31.5 | 0 | 0 | 0 | 110.4 | L183 | D181-L183 PolarHBondContact O-N 3.5Š| ||
| 182 | D | 49.9 | Very low | 46.6 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | trans | -65.4 | 115.5 | 160.5 | -85.6 | -43.8 | 0 | 0 | 0 | 109.7 | ||||
| 183 | L | 51.9 | Low | 46.1 | Very low | 162 Ų | 162 | 147.2 Ų | 147.2 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | trans | -138.1 | 101.6 | 155.2 | -76.5 | 178.9 | 0 | 0 | 0 | 111.3 | D181 I185 | D181-L183 PolarHBondContact O-N 3.5Å; L183-I185 PolarHBondContact O-N 3.3Å | ||
| 184 | L | 51.1 | Low | 46.1 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | trans | -38.9 | 116 | 155.1 | -67.3 | 163.4 | 0 | 0 | 0 | 111.4 | ||||
| 185 | I | 46 | Very low | 45.4 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | trans | -130.4 | 103.1 | 146.5 | -59.6 | -176.4 | 0 | 0 | 0 | 107.4 | L183 E187 | L183-I185 PolarHBondContact O-N 3.3Å; I185-E187 PolarHBondContact O-N 3.39Å | ||
| 186 | S | 43.9 | Very low | 45.4 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 121 | 168 | -48.7 | 0 | 0 | 0 | 0 | 109.8 | P188 | S186-P188 WeakPolarHBondContact O-CD 3.29Š|
| 187 | E | 48 | Very low | 45.1 | Very low | 178 Ų | 178 | 141.8 Ų | 141.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72 | 123.4 | 168.2 | -174.2 | 165.3 | 116.8 | 0 | 0 | 109.1 | I185 | I185-E187 PolarHBondContact O-N 3.39Š|
| 188 | P | 47.3 | Very low | 45.1 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 143.9 | 173.5 | 30.5 | -29.9 | 0 | 0 | 0 | 110.5 | S186 I190 | S186-P188 WeakPolarHBondContact O-CD 3.29Å; P188-I190 PolarHBondContact O-N 2.99Å |
| 189 | P | 50.5 | Low | 44.4 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 131 | -176.5 | 26.8 | -33 | 0 | 0 | 0 | 111.8 | I191 | P189-I191 PolarHBondContact O-N 3.02Å; P189-I191 VanDerWaalsContact O-N 3.11Å |
| 190 | I | 50.8 | Low | 44.1 | Very low | 152 Ų | 152 | 147 Ų | 147 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -63.3 | 107.8 | 171.9 | -65.4 | 168.7 | 0 | 0 | 0 | 108.7 | P188 L192 | P188-I190 PolarHBondContact O-N 2.99Å; I190-L192 PolarHBondContact O-N 2.79Å | ||
| 191 | I | 44 | Very low | 43.6 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -75.9 | 108.1 | 169.3 | -61 | 174.4 | 0 | 0 | 0 | 107.5 | P189 E193 | P189-I191 PolarHBondContact O-N 3.02Å; P189-I191 VanDerWaalsContact O-N 3.11Å; I191-E193 PolarHBondContact O-N 2.82Å | ||
| 192 | L | 47.3 | Very low | 43.2 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -78.7 | 96.5 | 173.9 | -165.2 | 75.2 | 0 | 0 | 0 | 109.1 | I190 S194 | I190-L192 PolarHBondContact O-N 2.79Å; L192-S194 PolarHBondContact O-N 2.9Å; L192-S194 VanDerWaalsContact O-N 3.15Å | ||
| 193 | E | 40.4 | Very low | 42.7 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 102.5 | 176.5 | -155 | -173.9 | 176.1 | 0 | 0 | 109.9 | I191 K195 | I191-E193 PolarHBondContact O-N 2.82Å; E193-K195 PolarHBondContact O-N 3.37Å | ||
| 194 | S | 41.3 | Very low | 42.3 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 102 | 172.6 | 54.4 | 0 | 0 | 0 | 0 | 109.9 | L192 S196 | L192-S194 PolarHBondContact O-N 2.9Å; L192-S194 VanDerWaalsContact O-N 3.15Å; S194-S196 PolarHBondContact O-N 3.42Å | ||
| 195 | K | 35.7 | Very low | 42.2 | Very low | 188 Ų | 188 | 146.4 Ų | 146.4 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | -65.2 | 97.3 | 166.2 | -104.7 | -177.1 | 178.7 | 179.2 | 0 | 109.5 | E193 | E193-K195 PolarHBondContact O-N 3.37Š| ||
| 196 | S | 39.8 | Very low | 42 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | trans | -97.9 | 85.9 | 158.3 | 50.2 | 0 | 0 | 0 | 0 | 108.3 | S194 L198 | S194-S196 PolarHBondContact O-N 3.42Å; S196-L198 VanDerWaalsContact C-N 3.31Å; S196-L198 PolarHBondContact O-N 3.21Å | ||
| 197 | V | 34.5 | Very low | 41.9 | Very low | 115 Ų | 115 | 151.5 Ų | 151.5 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | trans | -77.2 | 92.8 | 169 | 174.5 | 0 | 0 | 0 | 0 | 107.5 | Q199 | V197-Q199 HydrophobicContact CG1-CB 4.33Š| ||
| 198 | L | 43 | Very low | 41.6 | Very low | 170 Ų | 170 | 150.1 Ų | 150.1 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -93.7 | 98.7 | 163.4 | -136.7 | 157.7 | 0 | 0 | 0 | 106.3 | S196 | S196-L198 VanDerWaalsContact C-N 3.31Å; S196-L198 PolarHBondContact O-N 3.21Å | ||
| 199 | Q | 35.3 | Very low | 41.3 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -151.5 | 122 | 171.6 | -137.3 | -176.7 | -11 | 0 | 0 | 105.4 | V197 | V197-Q199 HydrophobicContact CG1-CB 4.33Š| ||
| 200 | S | 32.5 | Very low | 40.7 | Very low | 114 Ų | 114 | 154.8 Ų | 154.8 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | cis | -160.2 | 137.7 | 29.9 | 46 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 201 | S | 35 | Very low | 40.1 | Very low | 109 Ų | 109 | 154.9 Ų | 154.9 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | trans | -104.6 | 129 | 159.9 | -173.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 202 | H | 39.8 | Very low | 39.9 | Very low | 158 Ų | 158 | 154.9 Ų | 154.9 | 73% | 0.731 | 81% | 0.813 | S | S | * | * | trans | 33.1 | 117.1 | 152.8 | -79 | -87.2 | 0 | 0 | 0 | 120 | ||||
| 203 | R | 38.4 | Very low | 39.3 | Very low | 254 Ų | 254 | 154.6 Ų | 154.6 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | trans | -133.7 | 106.8 | 137.2 | -109.7 | -170 | -173.4 | -149.5 | 1.8 | 110.8 | ||||
| 204 | I | 44.9 | Very low | 39.2 | Very low | 134 Ų | 134 | 152.5 Ų | 152.5 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -65.4 | 135.4 | 150.3 | -72.5 | 159.6 | 0 | 0 | 0 | 107.6 | ||||
| 205 | L | 48.7 | Very low | 39.1 | Very low | 141 Ų | 141 | 156.7 Ų | 156.7 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | 169.6 | 137.7 | 119.1 | -152.4 | 73.5 | 0 | 0 | 0 | 111.2 | |||||
| 206 | D | 41.3 | Very low | 39.4 | Very low | 222 Ų | 222 | 153.8 Ų | 153.8 | 100% | 1.187 | 82% | 0.816 | S | S | * | * | trans | 69.8 | 0 | 165 | -60.9 | -41.3 | 0 | 0 | 0 | 120.6 |
Retrieved 206 of 206 residues in 784.9 ms
(Link to these results)