| 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 | 37.1 | Very low | 47 | Very low | 252 Ų | 252 | 170 Ų | 170 | 100% | 1.241 | 88% | 0.876 | S | S | * | * | 0 | 138.5 | 0 | -67.9 | -165.8 | 173 | 0 | 0 | 108.6 | |||||
| 2 | S | 39 | Very low | 46.6 | Very low | 123 Ų | 123 | 163.8 Ų | 163.8 | 86% | 0.86 | 86% | 0.859 | S | S | * | * | trans | -54.1 | 147.1 | -164.8 | -63.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 3 | A | 45.6 | Very low | 46.7 | Very low | 99 Ų | 99 | 164.4 Ų | 164.4 | 82% | 0.818 | 86% | 0.862 | S | S | * | * | trans | -67.3 | 138.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 4 | K | 50.5 | Low | 47.9 | Very low | 202 Ų | 202 | 159 Ų | 159 | 88% | 0.878 | 84% | 0.842 | S | S | * | * | trans | -134.2 | 103.8 | 158.9 | -83.4 | -168.1 | 163.3 | 174.9 | 0 | 105.9 | ||||
| 5 | L | 51.4 | Low | 48.2 | Very low | 154 Ų | 154 | 157.2 Ų | 157.2 | 81% | 0.806 | 84% | 0.843 | S | S | * | * | 54.7 | 82.1 | 81.8 | -150.5 | 161.4 | 0 | 0 | 0 | 112.5 | |||||
| 6 | S | 45.3 | Very low | 48 | Very low | 116 Ų | 116 | 152.9 Ų | 152.9 | 81% | 0.811 | 83% | 0.827 | S | S | * | * | trans | -132.3 | 74.9 | 149.5 | 70.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 7 | K | 48.4 | Very low | 48.2 | Very low | 198 Ų | 198 | 155.1 Ų | 155.1 | 86% | 0.861 | 84% | 0.837 | S | S | * | * | trans | -100.1 | 37.5 | 168.1 | -72.7 | -167.7 | 170 | 86.6 | 0 | 110.8 | ||||
| 8 | E | 51.2 | Low | 48.5 | Very low | 174 Ų | 174 | 153 Ų | 153 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -144.8 | 57.6 | -173.4 | -106.2 | -110.2 | 105.1 | 0 | 0 | 111.3 | ||||
| 9 | L | 41.7 | Very low | 48.9 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 86% | 0.859 | 83% | 0.826 | S | S | * | * | trans | -145.3 | 57.5 | 148.3 | -150.9 | 96 | 0 | 0 | 0 | 109 | ||||
| 10 | R | 59.2 | Low | 48.9 | Very low | 232 Ų | 232 | 157.4 Ų | 157.4 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | trans | -79.6 | 111.4 | 152.5 | -86.1 | -83.2 | 154.9 | 138.2 | -6.6 | 105.2 | ||||
| 11 | L | 47.3 | Very low | 48.7 | Very low | 156 Ų | 156 | 155 Ų | 155 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | 152 | 117.5 | 165.5 | -82.6 | 165.1 | 0 | 0 | 0 | 103.9 | ||||
| 12 | S | 42.7 | Very low | 49.3 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -175.1 | 124.2 | 13.5 | 45.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 13 | L | 48.2 | Very low | 49.8 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | 56.2 | 155.5 | 155.5 | -89.7 | 86.5 | 0 | 0 | 0 | 121.8 | ||||
| 14 | P | 63.6 | Low | 49.7 | Very low | 89 Ų | 89 | 144.2 Ų | 144.2 | 58% | 0.578 | 77% | 0.765 | S | S | * | * | trans | -97.2 | 163.3 | -161.2 | 39.3 | -33.5 | 0 | 0 | 0 | 113.3 | ||||
| 15 | P | 51.3 | Low | 49.7 | Very low | 132 Ų | 132 | 139 Ų | 139 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | trans | -105 | 84.1 | 148.1 | 15 | 4.9 | 0 | 0 | 0 | 108.1 | ||||
| 16 | C | 45.2 | Very low | 49.5 | Very low | 88 Ų | 88 | 136.2 Ų | 136.2 | 60% | 0.595 | 73% | 0.733 | S | S | * | * | trans | -51.9 | 142.3 | 154.6 | -59.2 | 0 | 0 | 0 | 0 | 108.2 | L18 | C16-L18 HydrophobicContact CB-CB 4.48Å; C16-L18 PolarHBondContact O-N 2.84Å | ||
| 17 | L | 52 | Low | 49.9 | Very low | 190 Ų | 190 | 134.6 Ų | 134.6 | 100% | 0.995 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -62.1 | 72.2 | 167.4 | -70.6 | 172.1 | 0 | 0 | 0 | 110.7 | ||
| 18 | L | 53.2 | Low | 50.2 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 62% | 0.618 | 71% | 0.71 | S | S | * | * | trans | -127.5 | 72.4 | -179.7 | -164.6 | 167.2 | 0 | 0 | 0 | 107.6 | C16 S22 | C16-L18 HydrophobicContact CB-CB 4.48Å; C16-L18 PolarHBondContact O-N 2.84Å; L18-S22 VanDerWaalsContact CD2-OG 3.22Å; L18-S22 WeakPolarHBondContact CD2-OG 2.81Å | ||
| 19 | N | 55.6 | Low | 50.1 | Low | 157 Ų | 157 | 122.5 Ų | 122.5 | 84% | 0.84 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -158.9 | 55.9 | 166 | -156.1 | 1.7 | 0 | 0 | 0 | 115.5 | ||
| 20 | R | 49.1 | Very low | 50.6 | Low | 236 Ų | 236 | 118.6 Ų | 118.6 | 89% | 0.891 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -170.6 | -4.6 | 144.6 | -154.5 | 149.3 | 173.6 | 121.5 | -1 | 115.9 | ||
| 21 | T | 46 | Very low | 50.3 | Low | 109 Ų | 109 | 110.7 Ų | 110.7 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -123.8 | 22.1 | -174.4 | -16.2 | 0 | 0 | 0 | 0 | 114.4 | L25 | T21-L25 HydrophobicContact CG2-CD1 4.2Å; T21-L25 VanDerWaalsContact O-CB 3.31Å; T21-L25 WeakPolarHBondContact O-CB 3.35Å |
| 22 | S | 49.9 | Very low | 50.6 | Low | 29 Ų | 29 | 109.3 Ų | 109.3 | 20% | 0.203 | 64% | 0.64 | C | S | . | * | S | Bend | trans | -114.7 | -15.7 | 179 | 27.2 | 0 | 0 | 0 | 0 | 113.7 | L18 N26 | L18-S22 VanDerWaalsContact CD2-OG 3.22Å; L18-S22 WeakPolarHBondContact CD2-OG 2.81Å; S22-N26 WeakPolarHBondContact O-CB 3.48Å; S22-N26 PolarHBondContact O-N 3.35Å; S22-N26 PolarHBondContact O-ND2 3.32Å; S22-N26 PolarHBondContact O-OD1 3.47Å |
| 23 | A | 47.5 | Very low | 51 | Low | 97 Ų | 97 | 109.6 Ų | 109.6 | 80% | 0.802 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -28.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 24 | T | 45.5 | Very low | 51.2 | Low | 120 Ų | 120 | 106.8 Ų | 106.8 | 74% | 0.736 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -21.2 | 179.2 | -50 | 0 | 0 | 0 | 0 | 112.9 | ||
| 25 | L | 49 | Very low | 50.9 | Low | 92 Ų | 92 | 105.2 Ų | 105.2 | 48% | 0.482 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -24.7 | -179.3 | -119.5 | 161.9 | 0 | 0 | 0 | 112.6 | T21 A27 S28 S29 | T21-L25 HydrophobicContact CG2-CD1 4.2Å; T21-L25 VanDerWaalsContact O-CB 3.31Å; T21-L25 WeakPolarHBondContact O-CB 3.35Å; L25-A27 VanDerWaalsContact C-N 3.29Å; L25-A27 PolarHBondContact O-N 3.33Å; L25-S28 CarbonylContact O-C 3.54Å; L25-S28 PolarHBondContact O-N 3.24Å; L25-S29 VanDerWaalsContact O-CB 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.45Å; L25-S29 PolarHBondContact O-N 3.29Å; L25-S29 PolarHBondContact O-OG 3.46Å |
| 26 | N | 48.2 | Very low | 51.3 | Low | 97 Ų | 97 | 100.8 Ų | 100.8 | 52% | 0.519 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -71.6 | -20.6 | 178 | -69.5 | -8.6 | 0 | 0 | 0 | 113.8 | S22 T30 | S22-N26 WeakPolarHBondContact O-CB 3.48Å; S22-N26 PolarHBondContact O-N 3.35Å; S22-N26 PolarHBondContact O-ND2 3.32Å; S22-N26 PolarHBondContact O-OD1 3.47Å; N26-T30 PolarHBondContact O-OG1 3.25Å |
| 27 | A | 52.6 | Low | 51.7 | Low | 81 Ų | 81 | 103.5 Ų | 103.5 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -75.7 | -26.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L25 | L25-A27 VanDerWaalsContact C-N 3.29Å; L25-A27 PolarHBondContact O-N 3.33Å |
| 28 | S | 54.6 | Low | 52 | Low | 74 Ų | 74 | 97.8 Ų | 97.8 | 52% | 0.517 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -105.9 | -10.8 | -174.5 | -56.2 | 0 | 0 | 0 | 0 | 114.3 | L25 C31 | L25-S28 CarbonylContact O-C 3.54Å; L25-S28 PolarHBondContact O-N 3.24Å; S28-C31 VanDerWaalsContact C-SG 3.58Å; S28-C31 PolarHBondContact O-SG 2.69Å |
| 29 | S | 50.5 | Low | 52.2 | Low | 44 Ų | 44 | 99 Ų | 99 | 31% | 0.308 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -96.7 | -24.5 | 176.5 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | L25 C31 I32 | L25-S29 VanDerWaalsContact O-CB 3.31Å; L25-S29 WeakPolarHBondContact O-CB 3.45Å; L25-S29 PolarHBondContact O-N 3.29Å; L25-S29 PolarHBondContact O-OG 3.46Å; S29-C31 PolarHBondContact O-N 2.73Å; S29-I32 PolarHBondContact O-N 3.33Å |
| 30 | T | 51.6 | Low | 52.4 | Low | 82 Ų | 82 | 99.3 Ų | 99.3 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65 | -18.9 | 169.8 | -48.4 | 0 | 0 | 0 | 0 | 111.7 | N26 Q34 | N26-T30 PolarHBondContact O-OG1 3.25Å; T30-Q34 WeakPolarHBondContact O-CB 3.3Å |
| 31 | C | 52.3 | Low | 53.2 | Low | 67 Ų | 67 | 91 Ų | 91 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -94.6 | -1.5 | 176.3 | 69.4 | 0 | 0 | 0 | 0 | 114.8 | S28 S29 V35 | S28-C31 VanDerWaalsContact C-SG 3.58Å; S28-C31 PolarHBondContact O-SG 2.69Å; S29-C31 PolarHBondContact O-N 2.73Å; C31-V35 WeakPolarHBondContact O-CG1 3.07Å; C31-V35 WeakPolarHBondContact O-CG2 3.08Å |
| 32 | I | 54.5 | Low | 54 | Low | 126 Ų | 126 | 89.3 Ų | 89.3 | 65% | 0.646 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -103.8 | -29.5 | -178 | -140 | 170.3 | 0 | 0 | 0 | 113.3 | S29 V35 | S29-I32 PolarHBondContact O-N 3.33Å; I32-V35 VanDerWaalsContact O-CG2 3.3Å; I32-V35 WeakPolarHBondContact O-CG2 3.05Å |
| 33 | T | 51.4 | Low | 55.2 | Low | 103 Ų | 103 | 92 Ų | 92 | 63% | 0.632 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -88.4 | -34.1 | 171.8 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | G36 Q37 | T33-G36 PolarHBondContact O-N 3.18Å; T33-Q37 PolarHBondContact O-N 2.68Å |
| 34 | Q | 51.7 | Low | 56.9 | Low | 111 Ų | 111 | 91 Ų | 91 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.5 | -173.4 | 176.9 | 74.1 | 0 | 0 | 111.4 | T30 G36 Q37 L38 | T30-Q34 WeakPolarHBondContact O-CB 3.3Å; Q34-G36 PolarHBondContact O-N 2.94Å; Q34-Q37 PolarHBondContact O-N 3.22Å; Q34-L38 HydrophobicContact CG-CD1 3.88Å; Q34-L38 HydrophobicContact CG-CG 4.38Å; Q34-L38 WeakPolarHBondContact O-CB 3.43Å; Q34-L38 WeakPolarHBondContact O-CD1 3.44Å; Q34-L38 WeakPolarHBondContact O-CG 3.43Å; Q34-L38 PolarHBondContact O-N 2.91Å |
| 35 | V | 57.2 | Low | 58.9 | Low | 56 Ų | 56 | 88.5 Ų | 88.5 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | 176.4 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | C31 I32 L38 F39 | C31-V35 WeakPolarHBondContact O-CG1 3.07Å; C31-V35 WeakPolarHBondContact O-CG2 3.08Å; I32-V35 VanDerWaalsContact O-CG2 3.3Å; I32-V35 WeakPolarHBondContact O-CG2 3.05Å; V35-L38 WeakPolarHBondContact O-CB 3.02Å; V35-L38 PolarHBondContact O-N 3.4Å; V35-F39 VanDerWaalsContact C-CD2 3.48Å; V35-F39 HydrophobicContact CB-CD2 4.27Å; V35-F39 HydrophobicContact CB-CE2 3.76Å; V35-F39 HydrophobicContact CG2-CE2 4.32Å; V35-F39 WeakPolarHBondContact O-CD2 3.34Å; V35-F39 WeakPolarHBondContact O-CE2 3.31Å; V35-F39 WeakPolarHBondContact O-CG 3.35Å; V35-F39 PolarHBondContact O-N 3.36Å |
| 36 | G | 58.9 | Low | 60.8 | Low | 40 Ų | 40 | 88.4 Ų | 88.4 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T33 Q34 L38 F39 Q40 | T33-G36 PolarHBondContact O-N 3.18Å; Q34-G36 PolarHBondContact O-N 2.94Å; G36-L38 VanDerWaalsContact C-N 3.33Å; G36-F39 PolarHBondContact O-N 3.07Å; G36-Q40 PolarHBondContact O-N 2.99Å |
| 37 | Q | 53.9 | Low | 62.8 | Low | 144 Ų | 144 | 88.2 Ų | 88.2 | 67% | 0.673 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.3 | -32.2 | 176.6 | -170.1 | 168.3 | -25.6 | 0 | 0 | 112 | T33 Q34 S41 | T33-Q37 PolarHBondContact O-N 2.68Å; Q34-Q37 PolarHBondContact O-N 3.22Å; Q37-S41 WeakPolarHBondContact O-CB 3.43Å; Q37-S41 PolarHBondContact O-N 3.19Å; Q37-S41 PolarHBondContact O-OG 3.5Å |
| 38 | L | 58.2 | Low | 64.7 | Low | 70 Ų | 70 | 89 Ų | 89 | 37% | 0.366 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 170.9 | -80.7 | 173.2 | 0 | 0 | 0 | 111.3 | Q34 V35 G36 Q40 S41 F42 | Q34-L38 HydrophobicContact CG-CD1 3.88Å; Q34-L38 HydrophobicContact CG-CG 4.38Å; Q34-L38 WeakPolarHBondContact O-CB 3.43Å; Q34-L38 WeakPolarHBondContact O-CD1 3.44Å; Q34-L38 WeakPolarHBondContact O-CG 3.43Å; Q34-L38 PolarHBondContact O-N 2.91Å; V35-L38 WeakPolarHBondContact O-CB 3.02Å; V35-L38 PolarHBondContact O-N 3.4Å; G36-L38 VanDerWaalsContact C-N 3.33Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-Q40 PolarHBondContact O-N 2.77Å; L38-S41 CarbonylContact O-C 3.53Å; L38-S41 PolarHBondContact O-N 2.77Å; L38-F42 HydrophobicContact CB-CD2 3.72Å; L38-F42 HydrophobicContact CB-CE2 3.47Å; L38-F42 VanDerWaalsContact CB-CE2 3.47Å; L38-F42 HydrophobicContact CB-CZ 4.37Å; L38-F42 HydrophobicContact CD1-CE2 4.28Å; L38-F42 HydrophobicContact CD2-CE2 3.99Å; L38-F42 HydrophobicContact CD2-CZ 4.06Å; L38-F42 HydrophobicContact CG-CE2 4.12Å; L38-F42 WeakPolarHBondContact O-CA 3.14Å; L38-F42 WeakPolarHBondContact O-CB 2.91Å; L38-F42 WeakPolarHBondContact O-CD2 3.1Å; L38-F42 WeakPolarHBondContact O-CG 3.12Å; L38-F42 PolarHBondContact O-N 2.98Å |
| 39 | F | 58 | Low | 66.5 | Low | 144 Ų | 144 | 90 Ų | 90 | 63% | 0.632 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.7 | -36.2 | -179.7 | -73.4 | -61.2 | 0 | 0 | 0 | 113.7 | V35 G36 S43 | V35-F39 VanDerWaalsContact C-CD2 3.48Å; V35-F39 HydrophobicContact CB-CD2 4.27Å; V35-F39 HydrophobicContact CB-CE2 3.76Å; V35-F39 HydrophobicContact CG2-CE2 4.32Å; V35-F39 WeakPolarHBondContact O-CD2 3.34Å; V35-F39 WeakPolarHBondContact O-CE2 3.31Å; V35-F39 WeakPolarHBondContact O-CG 3.35Å; V35-F39 PolarHBondContact O-N 3.36Å; G36-F39 PolarHBondContact O-N 3.07Å; F39-S43 PolarHBondContact O-N 3.43Å |
| 40 | Q | 59.7 | Low | 68.6 | Low | 163 Ų | 163 | 92 Ų | 92 | 76% | 0.762 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.6 | -40.8 | 175.3 | -166.5 | -174.4 | -3.7 | 0 | 0 | 112.1 | G36 L38 F42 | G36-Q40 PolarHBondContact O-N 2.99Å; L38-Q40 VanDerWaalsContact C-N 3.33Å; L38-Q40 PolarHBondContact O-N 2.77Å; Q40-F42 VanDerWaalsContact C-N 3.32Å |
| 41 | S | 65.9 | Low | 70.7 | Confident | 61 Ų | 61 | 92.5 Ų | 92.5 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.2 | -27.3 | 176.6 | -47.5 | 0 | 0 | 0 | 0 | 112.3 | Q37 L38 T45 | Q37-S41 WeakPolarHBondContact O-CB 3.43Å; Q37-S41 PolarHBondContact O-N 3.19Å; Q37-S41 PolarHBondContact O-OG 3.5Å; L38-S41 CarbonylContact O-C 3.53Å; L38-S41 PolarHBondContact O-N 2.77Å; S41-T45 WeakPolarHBondContact O-CB 3.31Å; S41-T45 PolarHBondContact O-N 3.04Å; S41-T45 PolarHBondContact O-OG1 3.38Å |
| 42 | F | 62.1 | Low | 72.8 | Confident | 75 Ų | 75 | 94 Ų | 94 | 33% | 0.329 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.9 | -33.3 | 179.7 | -86.3 | -51.1 | 0 | 0 | 0 | 111.6 | L38 Q40 S44 T45 L46 | L38-F42 HydrophobicContact CB-CD2 3.72Å; L38-F42 HydrophobicContact CB-CE2 3.47Å; L38-F42 VanDerWaalsContact CB-CE2 3.47Å; L38-F42 HydrophobicContact CB-CZ 4.37Å; L38-F42 HydrophobicContact CD1-CE2 4.28Å; L38-F42 HydrophobicContact CD2-CE2 3.99Å; L38-F42 HydrophobicContact CD2-CZ 4.06Å; L38-F42 HydrophobicContact CG-CE2 4.12Å; L38-F42 WeakPolarHBondContact O-CA 3.14Å; L38-F42 WeakPolarHBondContact O-CB 2.91Å; L38-F42 WeakPolarHBondContact O-CD2 3.1Å; L38-F42 WeakPolarHBondContact O-CG 3.12Å; L38-F42 PolarHBondContact O-N 2.98Å; Q40-F42 VanDerWaalsContact C-N 3.32Å; F42-S44 VanDerWaalsContact C-N 3.26Å; F42-S44 PolarHBondContact O-N 3.23Å; F42-T45 PolarHBondContact O-N 3.26Å; F42-L46 HydrophobicContact CB-CD1 3.77Å; F42-L46 HydrophobicContact CB-CG 3.93Å; F42-L46 HydrophobicContact CD1-CD1 4.31Å; F42-L46 HydrophobicContact CD1-CD2 3.97Å; F42-L46 HydrophobicContact CD1-CG 3.89Å; F42-L46 HydrophobicContact CG-CD1 4.27Å; F42-L46 HydrophobicContact CG-CG 4.28Å; F42-L46 WeakPolarHBondContact O-CA 3.06Å; F42-L46 WeakPolarHBondContact O-CB 3.22Å; F42-L46 WeakPolarHBondContact O-CG 3.2Å; F42-L46 PolarHBondContact O-N 2.71Å |
| 43 | S | 75.8 | Confident | 74.7 | Confident | 85 Ų | 85 | 90.1 Ų | 90.1 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -56.7 | -42.4 | 178.3 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | F39 V47 | F39-S43 PolarHBondContact O-N 3.43Å; S43-V47 WeakPolarHBondContact O-CB 3.44Å; S43-V47 WeakPolarHBondContact O-CG2 3.12Å; S43-V47 PolarHBondContact O-N 3.35Å |
| 44 | S | 83.1 | Confident | 76.9 | Confident | 76 Ų | 76 | 90.2 Ų | 90.2 | 53% | 0.531 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -77.6 | -46.1 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | F42 L46 V47 L48 | F42-S44 VanDerWaalsContact C-N 3.26Å; F42-S44 PolarHBondContact O-N 3.23Å; S44-L46 PolarHBondContact O-N 3.39Å; S44-V47 PolarHBondContact O-N 3.47Å; S44-L48 WeakPolarHBondContact O-CG 3.29Å; S44-L48 PolarHBondContact O-N 2.81Å |
| 45 | T | 88.1 | Confident | 79 | Confident | 67 Ų | 67 | 89.1 Ų | 89.1 | 41% | 0.411 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.1 | -40.5 | -175.3 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | S41 F42 L48 I49 | S41-T45 WeakPolarHBondContact O-CB 3.31Å; S41-T45 PolarHBondContact O-N 3.04Å; S41-T45 PolarHBondContact O-OG1 3.38Å; F42-T45 PolarHBondContact O-N 3.26Å; T45-L48 PolarHBondContact O-N 2.92Å; T45-I49 HydrophobicContact CG2-CD1 3.85Å; T45-I49 HydrophobicContact CG2-CG1 4.39Å; T45-I49 WeakPolarHBondContact O-CB 3.23Å; T45-I49 WeakPolarHBondContact O-CD1 3.24Å; T45-I49 WeakPolarHBondContact O-CG1 3.33Å; T45-I49 PolarHBondContact O-N 3.31Å |
| 46 | L | 88.5 | Confident | 80.9 | Confident | 90 Ų | 90 | 92.1 Ų | 92.1 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 175.1 | -64.6 | 174.9 | 0 | 0 | 0 | 110.9 | F42 S44 I49 V50 | F42-L46 HydrophobicContact CB-CD1 3.77Å; F42-L46 HydrophobicContact CB-CG 3.93Å; F42-L46 HydrophobicContact CD1-CD1 4.31Å; F42-L46 HydrophobicContact CD1-CD2 3.97Å; F42-L46 HydrophobicContact CD1-CG 3.89Å; F42-L46 HydrophobicContact CG-CD1 4.27Å; F42-L46 HydrophobicContact CG-CG 4.28Å; F42-L46 WeakPolarHBondContact O-CA 3.06Å; F42-L46 WeakPolarHBondContact O-CB 3.22Å; F42-L46 WeakPolarHBondContact O-CG 3.2Å; F42-L46 PolarHBondContact O-N 2.71Å; S44-L46 PolarHBondContact O-N 3.39Å; L46-I49 PolarHBondContact O-N 2.81Å; L46-V50 WeakPolarHBondContact O-CB 3.43Å; L46-V50 WeakPolarHBondContact O-CG2 3.17Å; L46-V50 PolarHBondContact O-N 3.49Å |
| 47 | V | 90.9 | Very high | 82.6 | Confident | 93 Ų | 93 | 93.9 Ų | 93.9 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.2 | -44.5 | 174.4 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | S43 S44 V50 L51 | S43-V47 WeakPolarHBondContact O-CB 3.44Å; S43-V47 WeakPolarHBondContact O-CG2 3.12Å; S43-V47 PolarHBondContact O-N 3.35Å; S44-V47 PolarHBondContact O-N 3.47Å; V47-V50 PolarHBondContact O-N 2.88Å; V47-L51 VanDerWaalsContact O-CB 3.24Å; V47-L51 WeakPolarHBondContact O-CB 3.2Å; V47-L51 PolarHBondContact O-N 2.84Å |
| 48 | L | 91.4 | Very high | 84.6 | Confident | 98 Ų | 98 | 91.1 Ų | 91.1 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.9 | -67 | 177.9 | 0 | 0 | 0 | 112 | S44 T45 L51 V52 | S44-L48 WeakPolarHBondContact O-CG 3.29Å; S44-L48 PolarHBondContact O-N 2.81Å; T45-L48 PolarHBondContact O-N 2.92Å; L48-L51 PolarHBondContact O-N 3.48Å; L48-V52 WeakPolarHBondContact O-CB 3.16Å; L48-V52 VanDerWaalsContact O-CG2 3.26Å; L48-V52 WeakPolarHBondContact O-CG2 3.47Å; L48-V52 PolarHBondContact O-N 3.42Å |
| 49 | I | 92.9 | Very high | 86.3 | Confident | 96 Ų | 96 | 92 Ų | 92 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 176 | -71.7 | 165.2 | 0 | 0 | 0 | 110.6 | T45 L46 L51 V52 A53 | T45-I49 HydrophobicContact CG2-CD1 3.85Å; T45-I49 HydrophobicContact CG2-CG1 4.39Å; T45-I49 WeakPolarHBondContact O-CB 3.23Å; T45-I49 WeakPolarHBondContact O-CD1 3.24Å; T45-I49 WeakPolarHBondContact O-CG1 3.33Å; T45-I49 PolarHBondContact O-N 3.31Å; L46-I49 PolarHBondContact O-N 2.81Å; I49-L51 VanDerWaalsContact C-N 3.33Å; I49-L51 PolarHBondContact O-N 2.82Å; I49-V52 PolarHBondContact O-N 2.73Å; I49-A53 WeakPolarHBondContact O-CB 3.18Å; I49-A53 PolarHBondContact O-N 2.76Å |
| 50 | V | 94.3 | Very high | 88 | Confident | 86 Ų | 86 | 88.6 Ų | 88.6 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 178.9 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | L46 V47 A53 L54 | L46-V50 WeakPolarHBondContact O-CB 3.43Å; L46-V50 WeakPolarHBondContact O-CG2 3.17Å; L46-V50 PolarHBondContact O-N 3.49Å; V47-V50 PolarHBondContact O-N 2.88Å; V50-A53 PolarHBondContact O-N 3.4Å; V50-L54 HydrophobicContact CG1-CD1 3.98Å; V50-L54 VanDerWaalsContact O-CB 3.29Å; V50-L54 WeakPolarHBondContact O-CB 3.26Å; V50-L54 PolarHBondContact O-N 3.37Å |
| 51 | L | 95.1 | Very high | 89.5 | Confident | 91 Ų | 91 | 86.6 Ų | 86.6 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64 | -48.1 | 176.5 | -177.8 | 62.3 | 0 | 0 | 0 | 111.5 | V47 L48 I49 A53 L54 I55 | V47-L51 VanDerWaalsContact O-CB 3.24Å; V47-L51 WeakPolarHBondContact O-CB 3.2Å; V47-L51 PolarHBondContact O-N 2.84Å; L48-L51 PolarHBondContact O-N 3.48Å; I49-L51 VanDerWaalsContact C-N 3.33Å; I49-L51 PolarHBondContact O-N 2.82Å; L51-A53 VanDerWaalsContact C-N 3.34Å; L51-A53 PolarHBondContact O-N 3.34Å; L51-L54 PolarHBondContact O-N 3.33Å; L51-I55 HydrophobicContact CD1-CD1 4.15Å; L51-I55 HydrophobicContact CG-CD1 3.97Å; L51-I55 WeakPolarHBondContact O-CD1 3.49Å; L51-I55 VanDerWaalsContact O-CG1 3.23Å; L51-I55 WeakPolarHBondContact O-CG1 3.06Å; L51-I55 PolarHBondContact O-N 2.96Å |
| 52 | V | 96.4 | Very high | 90.7 | Very high | 98 Ų | 98 | 86.8 Ų | 86.8 | 59% | 0.594 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.3 | -43.1 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | L48 I49 I55 F56 | L48-V52 WeakPolarHBondContact O-CB 3.16Å; L48-V52 VanDerWaalsContact O-CG2 3.26Å; L48-V52 WeakPolarHBondContact O-CG2 3.47Å; L48-V52 PolarHBondContact O-N 3.42Å; I49-V52 PolarHBondContact O-N 2.73Å; V52-I55 PolarHBondContact O-N 2.67Å; V52-F56 VanDerWaalsContact O-CB 3.25Å; V52-F56 WeakPolarHBondContact O-CB 3.26Å; V52-F56 PolarHBondContact O-N 2.89Å |
| 53 | A | 96 | Very high | 91.9 | Very high | 46 Ų | 46 | 87.8 Ų | 87.8 | 38% | 0.38 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I49 V50 L51 F56 C57 | I49-A53 WeakPolarHBondContact O-CB 3.18Å; I49-A53 PolarHBondContact O-N 2.76Å; V50-A53 PolarHBondContact O-N 3.4Å; L51-A53 VanDerWaalsContact C-N 3.34Å; L51-A53 PolarHBondContact O-N 3.34Å; A53-F56 PolarHBondContact O-N 3.5Å; A53-C57 VanDerWaalsContact O-CB 3.26Å; A53-C57 WeakPolarHBondContact O-CB 3.4Å; A53-C57 PolarHBondContact O-N 3.21Å; A53-C57 PolarHBondContact O-SG 2.88Å |
| 54 | L | 96.3 | Very high | 92.5 | Very high | 105 Ų | 105 | 87.3 Ų | 87.3 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -48.8 | 174.5 | -93.6 | 163.5 | 0 | 0 | 0 | 111.3 | V50 L51 F56 C57 V58 | V50-L54 HydrophobicContact CG1-CD1 3.98Å; V50-L54 VanDerWaalsContact O-CB 3.29Å; V50-L54 WeakPolarHBondContact O-CB 3.26Å; V50-L54 PolarHBondContact O-N 3.37Å; L51-L54 PolarHBondContact O-N 3.33Å; L54-F56 VanDerWaalsContact C-N 3.34Å; L54-F56 PolarHBondContact O-N 2.8Å; L54-C57 PolarHBondContact O-N 3.5Å; L54-V58 WeakPolarHBondContact O-CG2 3.25Å; L54-V58 PolarHBondContact O-N 3.45Å |
| 55 | I | 96.4 | Very high | 92.7 | Very high | 88 Ų | 88 | 87.9 Ų | 87.9 | 45% | 0.451 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 177.3 | -67.1 | 163.3 | 0 | 0 | 0 | 109.8 | L51 V52 C57 V58 I59 | L51-I55 HydrophobicContact CD1-CD1 4.15Å; L51-I55 HydrophobicContact CG-CD1 3.97Å; L51-I55 WeakPolarHBondContact O-CD1 3.49Å; L51-I55 VanDerWaalsContact O-CG1 3.23Å; L51-I55 WeakPolarHBondContact O-CG1 3.06Å; L51-I55 PolarHBondContact O-N 2.96Å; V52-I55 PolarHBondContact O-N 2.67Å; I55-C57 PolarHBondContact O-N 2.91Å; I55-V58 PolarHBondContact O-N 3.27Å; I55-I59 HydrophobicContact CG2-CD1 3.67Å; I55-I59 HydrophobicContact CG2-CG1 4.39Å; I55-I59 VanDerWaalsContact O-CG1 3.24Å; I55-I59 WeakPolarHBondContact O-CG1 3.49Å; I55-I59 PolarHBondContact O-N 2.85Å |
| 56 | F | 97.1 | Very high | 92.3 | Very high | 118 Ų | 118 | 90.5 Ų | 90.5 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 178.1 | -174.2 | -108.5 | 0 | 0 | 0 | 112.2 | V52 A53 L54 I59 L60 | V52-F56 VanDerWaalsContact O-CB 3.25Å; V52-F56 WeakPolarHBondContact O-CB 3.26Å; V52-F56 PolarHBondContact O-N 2.89Å; A53-F56 PolarHBondContact O-N 3.5Å; L54-F56 VanDerWaalsContact C-N 3.34Å; L54-F56 PolarHBondContact O-N 2.8Å; F56-I59 PolarHBondContact O-N 3.41Å; F56-L60 HydrophobicContact CD1-CD1 3.7Å; F56-L60 HydrophobicContact CD1-CG 4.03Å; F56-L60 HydrophobicContact CD2-CG 4.35Å; F56-L60 HydrophobicContact CE1-CD1 3.1Å; F56-L60 HydrophobicContact CE1-CD2 4.42Å; F56-L60 HydrophobicContact CE1-CG 3.7Å; F56-L60 HydrophobicContact CE2-CD1 4.26Å; F56-L60 HydrophobicContact CE2-CD2 4.15Å; F56-L60 HydrophobicContact CE2-CG 4.01Å; F56-L60 HydrophobicContact CG-CD1 4.5Å; F56-L60 HydrophobicContact CG-CG 4.36Å; F56-L60 HydrophobicContact CZ-CD1 3.44Å; F56-L60 VanDerWaalsContact CZ-CD1 3.44Å; F56-L60 HydrophobicContact CZ-CD2 3.92Å; F56-L60 HydrophobicContact CZ-CG 3.68Å; F56-L60 VanDerWaalsContact O-CB 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.47Å; F56-L60 WeakPolarHBondContact O-CG 3.38Å; F56-L60 PolarHBondContact O-N 2.81Å |
| 57 | C | 95.3 | Very high | 91.9 | Very high | 77 Ų | 77 | 91 Ų | 91 | 52% | 0.52 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 174.4 | -79 | 0 | 0 | 0 | 0 | 111.9 | A53 L54 I55 L60 L61 | A53-C57 VanDerWaalsContact O-CB 3.26Å; A53-C57 WeakPolarHBondContact O-CB 3.4Å; A53-C57 PolarHBondContact O-N 3.21Å; A53-C57 PolarHBondContact O-SG 2.88Å; L54-C57 PolarHBondContact O-N 3.5Å; I55-C57 PolarHBondContact O-N 2.91Å; C57-L60 PolarHBondContact O-N 3.37Å; C57-L61 WeakPolarHBondContact O-CA 3.16Å; C57-L61 WeakPolarHBondContact O-CB 3.34Å; C57-L61 PolarHBondContact O-N 3.25Å |
| 58 | V | 94.5 | Very high | 91.1 | Very high | 87 Ų | 87 | 91.2 Ų | 91.2 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | L54 I55 S62 | L54-V58 WeakPolarHBondContact O-CG2 3.25Å; L54-V58 PolarHBondContact O-N 3.45Å; I55-V58 PolarHBondContact O-N 3.27Å; V58-S62 WeakPolarHBondContact O-CB 3.24Å; V58-S62 PolarHBondContact O-N 3.48Å; V58-S62 PolarHBondContact O-OG 3.26Å |
| 59 | I | 95.3 | Very high | 90.4 | Very high | 89 Ų | 89 | 91.7 Ų | 91.7 | 46% | 0.456 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -51 | 177.1 | -67.1 | 167 | 0 | 0 | 0 | 110.3 | I55 F56 S62 L63 | I55-I59 HydrophobicContact CG2-CD1 3.67Å; I55-I59 HydrophobicContact CG2-CG1 4.39Å; I55-I59 VanDerWaalsContact O-CG1 3.24Å; I55-I59 WeakPolarHBondContact O-CG1 3.49Å; I55-I59 PolarHBondContact O-N 2.85Å; F56-I59 PolarHBondContact O-N 3.41Å; I59-S62 PolarHBondContact O-N 3.41Å; I59-L63 WeakPolarHBondContact O-CB 2.98Å; I59-L63 PolarHBondContact O-N 2.75Å |
| 60 | L | 92.5 | Very high | 89.4 | Confident | 72 Ų | 72 | 93.5 Ų | 93.5 | 38% | 0.377 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 179.7 | -77.9 | -167.9 | 0 | 0 | 0 | 112.1 | F56 C57 S62 L63 T64 | F56-L60 HydrophobicContact CD1-CD1 3.7Å; F56-L60 HydrophobicContact CD1-CG 4.03Å; F56-L60 HydrophobicContact CD2-CG 4.35Å; F56-L60 HydrophobicContact CE1-CD1 3.1Å; F56-L60 HydrophobicContact CE1-CD2 4.42Å; F56-L60 HydrophobicContact CE1-CG 3.7Å; F56-L60 HydrophobicContact CE2-CD1 4.26Å; F56-L60 HydrophobicContact CE2-CD2 4.15Å; F56-L60 HydrophobicContact CE2-CG 4.01Å; F56-L60 HydrophobicContact CG-CD1 4.5Å; F56-L60 HydrophobicContact CG-CG 4.36Å; F56-L60 HydrophobicContact CZ-CD1 3.44Å; F56-L60 VanDerWaalsContact CZ-CD1 3.44Å; F56-L60 HydrophobicContact CZ-CD2 3.92Å; F56-L60 HydrophobicContact CZ-CG 3.68Å; F56-L60 VanDerWaalsContact O-CB 3.3Å; F56-L60 WeakPolarHBondContact O-CB 3.47Å; F56-L60 WeakPolarHBondContact O-CG 3.38Å; F56-L60 PolarHBondContact O-N 2.81Å; C57-L60 PolarHBondContact O-N 3.37Å; L60-S62 VanDerWaalsContact C-N 3.34Å; L60-L63 CarbonylContact O-C 3.47Å; L60-L63 PolarHBondContact O-N 3.46Å; L60-T64 VanDerWaalsContact O-CB 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.34Å; L60-T64 PolarHBondContact O-N 2.71Å; L60-T64 PolarHBondContact O-OG1 2.71Å |
| 61 | L | 92.3 | Very high | 88 | Confident | 121 Ų | 121 | 97.6 Ų | 97.6 | 63% | 0.634 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.2 | -49.4 | 178.1 | -173.3 | 63.7 | 0 | 0 | 0 | 108.8 | C57 L63 T64 T65 | C57-L61 WeakPolarHBondContact O-CA 3.16Å; C57-L61 WeakPolarHBondContact O-CB 3.34Å; C57-L61 PolarHBondContact O-N 3.25Å; L61-L63 VanDerWaalsContact C-N 3.34Å; L61-L63 PolarHBondContact O-N 2.87Å; L61-T64 PolarHBondContact O-N 3.07Å; L61-T65 PolarHBondContact O-N 2.78Å; L61-T65 PolarHBondContact O-OG1 3.05Å |
| 62 | S | 90.6 | Very high | 86.6 | Confident | 64 Ų | 64 | 100.4 Ų | 100.4 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.2 | -45.1 | 174.1 | -59 | 0 | 0 | 0 | 0 | 112 | V58 I59 L60 T64 F66 | V58-S62 WeakPolarHBondContact O-CB 3.24Å; V58-S62 PolarHBondContact O-N 3.48Å; V58-S62 PolarHBondContact O-OG 3.26Å; I59-S62 PolarHBondContact O-N 3.41Å; L60-S62 VanDerWaalsContact C-N 3.34Å; S62-T64 VanDerWaalsContact C-N 3.31Å; S62-T64 PolarHBondContact O-N 2.81Å; S62-F66 WeakPolarHBondContact O-CA 3.3Å; S62-F66 WeakPolarHBondContact O-CB 3.4Å; S62-F66 PolarHBondContact O-N 2.79Å |
| 63 | L | 87.8 | Confident | 84.9 | Confident | 96 Ų | 96 | 99.3 Ų | 99.3 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 175.7 | -123.5 | 73.3 | 0 | 0 | 0 | 110.7 | I59 L60 L61 H67 | I59-L63 WeakPolarHBondContact O-CB 2.98Å; I59-L63 PolarHBondContact O-N 2.75Å; L60-L63 CarbonylContact O-C 3.47Å; L60-L63 PolarHBondContact O-N 3.46Å; L61-L63 VanDerWaalsContact C-N 3.34Å; L61-L63 PolarHBondContact O-N 2.87Å; L63-H67 VanDerWaalsContact O-CA 3.3Å; L63-H67 WeakPolarHBondContact O-CA 3.09Å; L63-H67 WeakPolarHBondContact O-CB 3.22Å; L63-H67 PolarHBondContact O-N 2.61Å |
| 64 | T | 87.3 | Confident | 83.2 | Confident | 75 Ų | 75 | 104.9 Ų | 104.9 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.8 | -46.4 | -176.4 | -50.5 | 0 | 0 | 0 | 0 | 109.9 | L60 L61 S62 I68 | L60-T64 VanDerWaalsContact O-CB 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.34Å; L60-T64 PolarHBondContact O-N 2.71Å; L60-T64 PolarHBondContact O-OG1 2.71Å; L61-T64 PolarHBondContact O-N 3.07Å; S62-T64 VanDerWaalsContact C-N 3.31Å; S62-T64 PolarHBondContact O-N 2.81Å; T64-I68 HydrophobicContact CG2-CD1 3.91Å; T64-I68 VanDerWaalsContact O-CB 3.22Å; T64-I68 WeakPolarHBondContact O-CB 3.29Å; T64-I68 WeakPolarHBondContact O-CD1 3.39Å; T64-I68 WeakPolarHBondContact O-CG1 3.2Å; T64-I68 PolarHBondContact O-N 3.4Å |
| 65 | T | 87.5 | Confident | 81.5 | Confident | 88 Ų | 88 | 106.4 Ų | 106.4 | 54% | 0.54 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | 172.8 | 16 | 0 | 0 | 0 | 0 | 111.6 | L61 I68 H69 | L61-T65 PolarHBondContact O-N 2.78Å; L61-T65 PolarHBondContact O-OG1 3.05Å; T65-I68 PolarHBondContact O-N 2.71Å; T65-H69 VanDerWaalsContact O-CB 3.29Å; T65-H69 WeakPolarHBondContact O-CB 3.18Å; T65-H69 PolarHBondContact O-N 3.28Å |
| 66 | F | 79.8 | Confident | 79.8 | Confident | 123 Ų | 123 | 109.5 Ų | 109.5 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 179.3 | -174.9 | -102.3 | 0 | 0 | 0 | 112.2 | S62 H69 K70 | S62-F66 WeakPolarHBondContact O-CA 3.3Å; S62-F66 WeakPolarHBondContact O-CB 3.4Å; S62-F66 PolarHBondContact O-N 2.79Å; F66-H69 CarbonylContact O-C 3.58Å; F66-H69 PolarHBondContact O-N 3.32Å; F66-K70 HydrophobicContact CD1-CD 4.43Å; F66-K70 HydrophobicContact CE1-CD 3.77Å; F66-K70 HydrophobicContact CZ-CD 4.34Å; F66-K70 WeakPolarHBondContact O-CB 3.29Å; F66-K70 PolarHBondContact O-N 2.66Å |
| 67 | H | 80.7 | Confident | 78.2 | Confident | 101 Ų | 101 | 112 Ų | 112 | 47% | 0.468 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -76.7 | -33.8 | 179.3 | -156.9 | -55 | 0 | 0 | 0 | 110 | L63 R71 | L63-H67 VanDerWaalsContact O-CA 3.3Å; L63-H67 WeakPolarHBondContact O-CA 3.09Å; L63-H67 WeakPolarHBondContact O-CB 3.22Å; L63-H67 PolarHBondContact O-N 2.61Å; H67-R71 WeakPolarHBondContact O-CA 3.3Å; H67-R71 WeakPolarHBondContact O-CB 2.85Å; H67-R71 PolarHBondContact O-N 3.48Å |
| 68 | I | 73.7 | Confident | 76.4 | Confident | 96 Ų | 96 | 114.3 Ų | 114.3 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 166.7 | -70.1 | 166.2 | 0 | 0 | 0 | 109 | T64 T65 R72 | T64-I68 HydrophobicContact CG2-CD1 3.91Å; T64-I68 VanDerWaalsContact O-CB 3.22Å; T64-I68 WeakPolarHBondContact O-CB 3.29Å; T64-I68 WeakPolarHBondContact O-CD1 3.39Å; T64-I68 WeakPolarHBondContact O-CG1 3.2Å; T64-I68 PolarHBondContact O-N 3.4Å; T65-I68 PolarHBondContact O-N 2.71Å; I68-R72 HydrophobicContact CG2-CG 3.91Å; I68-R72 WeakPolarHBondContact O-CA 3.24Å; I68-R72 WeakPolarHBondContact O-CB 2.87Å; I68-R72 WeakPolarHBondContact O-CG 3.03Å; I68-R72 PolarHBondContact O-N 2.73Å |
| 69 | H | 76.2 | Confident | 74.8 | Confident | 108 Ų | 108 | 116.5 Ų | 116.5 | 50% | 0.5 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 178.1 | -169.5 | 83.9 | 0 | 0 | 0 | 112.4 | T65 F66 R72 M73 | T65-H69 VanDerWaalsContact O-CB 3.29Å; T65-H69 WeakPolarHBondContact O-CB 3.18Å; T65-H69 PolarHBondContact O-N 3.28Å; F66-H69 CarbonylContact O-C 3.58Å; F66-H69 PolarHBondContact O-N 3.32Å; H69-R72 CarbonylContact O-C 3.55Å; H69-R72 WeakPolarHBondContact O-CB 3.48Å; H69-R72 PolarHBondContact O-N 2.83Å; H69-M73 WeakPolarHBondContact CE1-CE 3.47Å; H69-M73 WeakPolarHBondContact NE2-CE 3.45Å; H69-M73 WeakPolarHBondContact O-CB 3.37Å; H69-M73 WeakPolarHBondContact O-CG 3.44Å; H69-M73 PolarHBondContact O-N 3.48Å |
| 70 | K | 73.2 | Confident | 73.6 | Confident | 134 Ų | 134 | 119.1 Ų | 119.1 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.6 | -39.9 | 178 | -172.4 | 173.4 | -179.1 | 177.6 | 0 | 112.3 | F66 M73 K74 | F66-K70 HydrophobicContact CD1-CD 4.43Å; F66-K70 HydrophobicContact CE1-CD 3.77Å; F66-K70 HydrophobicContact CZ-CD 4.34Å; F66-K70 WeakPolarHBondContact O-CB 3.29Å; F66-K70 PolarHBondContact O-N 2.66Å; K70-M73 PolarHBondContact O-N 3.4Å; K70-K74 WeakPolarHBondContact O-CB 3.14Å; K70-K74 PolarHBondContact O-N 2.93Å |
| 71 | R | 63.8 | Low | 72.6 | Confident | 173 Ų | 173 | 118.8 Ų | 118.8 | 65% | 0.653 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -74.5 | -29.3 | 176 | -155.4 | -179.5 | -155.5 | -165.2 | 3.8 | 111.2 | H67 K75 | H67-R71 WeakPolarHBondContact O-CA 3.3Å; H67-R71 WeakPolarHBondContact O-CB 2.85Å; H67-R71 PolarHBondContact O-N 3.48Å; R71-K75 WeakPolarHBondContact O-CB 2.83Å; R71-K75 PolarHBondContact O-N 2.73Å |
| 72 | R | 65.5 | Low | 71.4 | Confident | 149 Ų | 149 | 118.4 Ų | 118.4 | 56% | 0.562 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.5 | -39.9 | 168.6 | -71.9 | -88.1 | -125.6 | 178.7 | 1.4 | 111.3 | I68 H69 K75 R76 | I68-R72 HydrophobicContact CG2-CG 3.91Å; I68-R72 WeakPolarHBondContact O-CA 3.24Å; I68-R72 WeakPolarHBondContact O-CB 2.87Å; I68-R72 WeakPolarHBondContact O-CG 3.03Å; I68-R72 PolarHBondContact O-N 2.73Å; H69-R72 CarbonylContact O-C 3.55Å; H69-R72 WeakPolarHBondContact O-CB 3.48Å; H69-R72 PolarHBondContact O-N 2.83Å; R72-K75 PolarHBondContact O-N 3.31Å; R72-R76 WeakPolarHBondContact O-CB 3.39Å; R72-R76 VanDerWaalsContact O-CG 3.24Å; R72-R76 WeakPolarHBondContact O-CG 3.47Å; R72-R76 PolarHBondContact O-N 2.89Å |
| 73 | M | 60.7 | Low | 70.6 | Confident | 76 Ų | 76 | 121.3 Ų | 121.3 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.6 | -37.9 | 174.4 | -73 | -61.5 | -173.8 | 0 | 0 | 111.4 | H69 K70 K77 | H69-M73 WeakPolarHBondContact CE1-CE 3.47Å; H69-M73 WeakPolarHBondContact NE2-CE 3.45Å; H69-M73 WeakPolarHBondContact O-CB 3.37Å; H69-M73 WeakPolarHBondContact O-CG 3.44Å; H69-M73 PolarHBondContact O-N 3.48Å; K70-M73 PolarHBondContact O-N 3.4Å; M73-K77 PolarHBondContact O-N 3.33Å |
| 74 | K | 61.4 | Low | 69.7 | Low | 163 Ų | 163 | 121 Ų | 121 | 71% | 0.709 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.5 | -38.9 | 172.9 | -163.5 | 173.3 | -179 | 179 | 0 | 112.4 | K70 | K70-K74 WeakPolarHBondContact O-CB 3.14Å; K70-K74 PolarHBondContact O-N 2.93Å |
| 75 | K | 60.7 | Low | 69.1 | Low | 137 Ų | 137 | 124.4 Ų | 124.4 | 60% | 0.596 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.6 | -41.6 | 173 | -87.8 | -171.8 | 171.5 | -172.1 | 0 | 112.9 | R71 R72 Q79 | R71-K75 WeakPolarHBondContact O-CB 2.83Å; R71-K75 PolarHBondContact O-N 2.73Å; R72-K75 PolarHBondContact O-N 3.31Å; K75-Q79 PolarHBondContact O-N 2.99Å; K75-Q79 VanDerWaalsContact O-N 3.16Å |
| 76 | R | 59.7 | Low | 68.6 | Low | 153 Ų | 153 | 125.9 Ų | 125.9 | 58% | 0.577 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.1 | -35 | -177.2 | -73.4 | 175.6 | -168.6 | -173.3 | 3.1 | 113.8 | R72 K80 | R72-R76 WeakPolarHBondContact O-CB 3.39Å; R72-R76 VanDerWaalsContact O-CG 3.24Å; R72-R76 WeakPolarHBondContact O-CG 3.47Å; R72-R76 PolarHBondContact O-N 2.89Å; R76-K80 PolarHBondContact O-N 3.43Å |
| 77 | K | 63.2 | Low | 68.1 | Low | 171 Ų | 171 | 126.9 Ų | 126.9 | 74% | 0.743 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -77.5 | -28.6 | 179.9 | -69 | -172.4 | 176.1 | -173.2 | 0 | 113.3 | M73 | M73-K77 PolarHBondContact O-N 3.33Å |
| 78 | M | 58.8 | Low | 67.5 | Low | 125 Ų | 125 | 126.9 Ų | 126.9 | 62% | 0.616 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -79 | -43.7 | 177.6 | -127.3 | 179 | 83.8 | 0 | 0 | 112.1 | K80 A81 Q82 | M78-K80 PolarHBondContact O-N 3.49Å; M78-A81 PolarHBondContact O-N 3.16Å; M78-Q82 WeakPolarHBondContact O-CB 3.47Å; M78-Q82 PolarHBondContact O-N 2.82Å |
| 79 | Q | 61.1 | Low | 67.1 | Low | 133 Ų | 133 | 127.2 Ų | 127.2 | 62% | 0.621 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.4 | -37.7 | -179.2 | -78.9 | -177.7 | -38.7 | 0 | 0 | 112.8 | K75 Q82 E83 | K75-Q79 PolarHBondContact O-N 2.99Å; K75-Q79 VanDerWaalsContact O-N 3.16Å; Q79-Q82 PolarHBondContact O-N 2.78Å; Q79-E83 WeakPolarHBondContact O-CB 3.33Å; Q79-E83 PolarHBondContact O-N 3.5Å |
| 80 | K | 68.8 | Low | 66.4 | Low | 144 Ų | 144 | 125.4 Ų | 125.4 | 63% | 0.626 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.3 | -38.4 | 177.6 | -170.8 | 171.3 | -178.7 | 176.1 | 0 | 112.5 | R76 M78 Q82 E84 | R76-K80 PolarHBondContact O-N 3.43Å; M78-K80 PolarHBondContact O-N 3.49Å; K80-Q82 VanDerWaalsContact C-N 3.29Å; K80-Q82 PolarHBondContact O-N 3.26Å; K80-E84 WeakPolarHBondContact O-CB 3.39Å; K80-E84 PolarHBondContact O-N 3.07Å; K80-E84 VanDerWaalsContact O-N 3.1Å |
| 81 | A | 71.8 | Confident | 65.7 | Low | 65 Ų | 65 | 121.3 Ų | 121.3 | 54% | 0.537 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -33.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M78 Y85 | M78-A81 PolarHBondContact O-N 3.16Å; A81-Y85 WeakPolarHBondContact O-CB 3.34Å; A81-Y85 PolarHBondContact O-N 3.2Å |
| 82 | Q | 67.8 | Low | 65.4 | Low | 113 Ų | 113 | 122.9 Ų | 122.9 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -77.7 | -33.7 | 178.9 | -165.4 | 169.3 | -33.7 | 0 | 0 | 112.8 | M78 Q79 K80 Y85 E86 | M78-Q82 WeakPolarHBondContact O-CB 3.47Å; M78-Q82 PolarHBondContact O-N 2.82Å; Q79-Q82 PolarHBondContact O-N 2.78Å; K80-Q82 VanDerWaalsContact C-N 3.29Å; K80-Q82 PolarHBondContact O-N 3.26Å; Q82-Y85 PolarHBondContact O-N 3.1Å; Q82-E86 WeakPolarHBondContact O-CB 3.36Å; Q82-E86 PolarHBondContact O-N 3.45Å |
| 83 | E | 72.9 | Confident | 65 | Low | 124 Ų | 124 | 119.4 Ų | 119.4 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -69.8 | -38.6 | 173.9 | -174.5 | -177.4 | 168.8 | 0 | 0 | 111.7 | Q79 E86 R87 | Q79-E83 WeakPolarHBondContact O-CB 3.33Å; Q79-E83 PolarHBondContact O-N 3.5Å; E83-E86 PolarHBondContact O-N 2.99Å; E83-R87 WeakPolarHBondContact O-CB 3.41Å; E83-R87 PolarHBondContact O-N 3.4Å |
| 84 | E | 70.1 | Confident | 64.9 | Low | 91 Ų | 91 | 119.1 Ų | 119.1 | 43% | 0.425 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.9 | -42.6 | 172.4 | -156.1 | 108.4 | -125 | 0 | 0 | 110.8 | K80 E86 R87 D88 | K80-E84 WeakPolarHBondContact O-CB 3.39Å; K80-E84 PolarHBondContact O-N 3.07Å; K80-E84 VanDerWaalsContact O-N 3.1Å; E84-E86 PolarHBondContact O-N 3.01Å; E84-R87 PolarHBondContact O-N 2.8Å; E84-R87 IonicContact OE1-NH1 3.2Å; E84-R87 PolarHBondContact OE1-NH1 3.45Å; E84-D88 WeakPolarHBondContact O-CB 3.3Å; E84-D88 PolarHBondContact O-N 2.87Å |
| 85 | Y | 73.2 | Confident | 64.7 | Low | 145 Ų | 145 | 118.1 Ų | 118.1 | 57% | 0.569 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.3 | -44.4 | 173.7 | -176.5 | -95.6 | 0 | 0 | 0 | 112.1 | A81 Q82 D88 H89 | A81-Y85 WeakPolarHBondContact O-CB 3.34Å; A81-Y85 PolarHBondContact O-N 3.2Å; Q82-Y85 PolarHBondContact O-N 3.1Å; Y85-D88 PolarHBondContact O-N 3.48Å; Y85-H89 AromaticContact CD2-CD2 3.52Å; Y85-H89 AromaticContact CD2-NE2 3.68Å; Y85-H89 AromaticContact CE1-CD2 3.81Å; Y85-H89 AromaticContact CE2-CD2 3.3Å; Y85-H89 WeakPolarHBondContact CE2-CD2 3.38Å; Y85-H89 AromaticContact CE2-NE2 3.08Å; Y85-H89 WeakPolarHBondContact CE2-NE2 3.08Å; Y85-H89 AromaticContact CG-CD2 3.86Å; Y85-H89 AromaticContact CZ-CD2 3.44Å; Y85-H89 VanDerWaalsContact CZ-CD2 3.44Å; Y85-H89 AromaticContact CZ-CE1 3.97Å; Y85-H89 AromaticContact CZ-NE2 3.41Å; Y85-H89 VanDerWaalsContact O-CB 3.3Å; Y85-H89 WeakPolarHBondContact O-CB 3.1Å; Y85-H89 PolarHBondContact O-CD2 3.45Å; Y85-H89 PolarHBondContact O-N 3.33Å |
| 86 | E | 76.6 | Confident | 64.4 | Low | 120 Ų | 120 | 114.5 Ų | 114.5 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.6 | -37.9 | 179.9 | -157.5 | -175.9 | 130 | 0 | 0 | 111.8 | Q82 E83 E84 D88 H89 C90 | Q82-E86 WeakPolarHBondContact O-CB 3.36Å; Q82-E86 PolarHBondContact O-N 3.45Å; E83-E86 PolarHBondContact O-N 2.99Å; E84-E86 PolarHBondContact O-N 3.01Å; E86-D88 VanDerWaalsContact C-N 3.33Å; E86-D88 PolarHBondContact O-N 3.45Å; E86-H89 PolarHBondContact O-N 3.06Å; E86-C90 WeakPolarHBondContact O-CB 3.2Å; E86-C90 PolarHBondContact O-N 2.91Å |
| 87 | R | 71.3 | Confident | 64.1 | Low | 143 Ų | 143 | 111.8 Ų | 111.8 | 54% | 0.54 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62 | -42.4 | 174.8 | -162.6 | -159.1 | -75.2 | 133.4 | -4.2 | 111.2 | E83 E84 A91 | E83-R87 WeakPolarHBondContact O-CB 3.41Å; E83-R87 PolarHBondContact O-N 3.4Å; E84-R87 PolarHBondContact O-N 2.8Å; E84-R87 IonicContact OE1-NH1 3.2Å; E84-R87 PolarHBondContact OE1-NH1 3.45Å; R87-A91 WeakPolarHBondContact O-CB 3.45Å; R87-A91 PolarHBondContact O-N 3.4Å |
| 88 | D | 66.1 | Low | 63.6 | Low | 102 Ų | 102 | 108.5 Ų | 108.5 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.8 | -34.6 | -179.8 | -74.4 | -11.6 | 0 | 0 | 0 | 112.7 | E84 Y85 E86 R92 | E84-D88 WeakPolarHBondContact O-CB 3.3Å; E84-D88 PolarHBondContact O-N 2.87Å; Y85-D88 PolarHBondContact O-N 3.48Å; E86-D88 VanDerWaalsContact C-N 3.33Å; E86-D88 PolarHBondContact O-N 3.45Å; D88-R92 WeakPolarHBondContact O-CB 3.5Å; D88-R92 PolarHBondContact O-N 3.15Å |
| 89 | H | 66.4 | Low | 63.1 | Low | 102 Ų | 102 | 111.4 Ų | 111.4 | 47% | 0.472 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -84.4 | -32.6 | 180 | -80.7 | -87.2 | 0 | 0 | 0 | 113.7 | Y85 E86 S93 | Y85-H89 AromaticContact CD2-CD2 3.52Å; Y85-H89 AromaticContact CD2-NE2 3.68Å; Y85-H89 AromaticContact CE1-CD2 3.81Å; Y85-H89 AromaticContact CE2-CD2 3.3Å; Y85-H89 WeakPolarHBondContact CE2-CD2 3.38Å; Y85-H89 AromaticContact CE2-NE2 3.08Å; Y85-H89 WeakPolarHBondContact CE2-NE2 3.08Å; Y85-H89 AromaticContact CG-CD2 3.86Å; Y85-H89 AromaticContact CZ-CD2 3.44Å; Y85-H89 VanDerWaalsContact CZ-CD2 3.44Å; Y85-H89 AromaticContact CZ-CE1 3.97Å; Y85-H89 AromaticContact CZ-NE2 3.41Å; Y85-H89 VanDerWaalsContact O-CB 3.3Å; Y85-H89 WeakPolarHBondContact O-CB 3.1Å; Y85-H89 PolarHBondContact O-CD2 3.45Å; Y85-H89 PolarHBondContact O-N 3.33Å; E86-H89 PolarHBondContact O-N 3.06Å; H89-S93 PolarHBondContact O-N 3.18Å |
| 90 | C | 60.9 | Low | 62.5 | Low | 70 Ų | 70 | 116.3 Ų | 116.3 | 47% | 0.473 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79.2 | -34.7 | 174.4 | -72.8 | 0 | 0 | 0 | 0 | 112.7 | E86 R92 S93 S94 | E86-C90 WeakPolarHBondContact O-CB 3.2Å; E86-C90 PolarHBondContact O-N 2.91Å; C90-R92 VanDerWaalsContact C-N 3.27Å; C90-R92 PolarHBondContact O-N 3.24Å; C90-S93 PolarHBondContact O-N 2.95Å; C90-S93 VanDerWaalsContact O-N 3.1Å; C90-S94 PolarHBondContact O-N 3.21Å; C90-S94 PolarHBondContact O-OG 3.22Å |
| 91 | A | 59.1 | Low | 61.5 | Low | 49 Ų | 49 | 115 Ų | 115 | 41% | 0.405 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.1 | -32.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R87 S94 N95 | R87-A91 WeakPolarHBondContact O-CB 3.45Å; R87-A91 PolarHBondContact O-N 3.4Å; A91-S94 WeakPolarHBondContact CA-OG 3.5Å; A91-S94 PolarHBondContact O-OG 3.17Å; A91-N95 WeakPolarHBondContact O-CB 3.3Å; A91-N95 PolarHBondContact O-N 2.85Å |
| 92 | R | 56.6 | Low | 59.8 | Low | 205 Ų | 205 | 121.2 Ų | 121.2 | 77% | 0.774 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71 | -34.5 | 171.4 | -169.5 | 110.8 | 173.6 | 176.6 | -1.8 | 112.1 | D88 C90 G96 | D88-R92 WeakPolarHBondContact O-CB 3.5Å; D88-R92 PolarHBondContact O-N 3.15Å; C90-R92 VanDerWaalsContact C-N 3.27Å; C90-R92 PolarHBondContact O-N 3.24Å; R92-G96 WeakPolarHBondContact O-CA 3.47Å; R92-G96 PolarHBondContact O-N 2.74Å |
| 93 | S | 57.8 | Low | 58.7 | Low | 76 Ų | 76 | 120.5 Ų | 120.5 | 53% | 0.531 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -73.8 | -39.1 | 177.8 | -174.8 | 0 | 0 | 0 | 0 | 112.5 | H89 C90 G96 S97 | H89-S93 PolarHBondContact O-N 3.18Å; C90-S93 PolarHBondContact O-N 2.95Å; C90-S93 VanDerWaalsContact O-N 3.1Å; S93-G96 PolarHBondContact O-N 3.5Å; S93-S97 WeakPolarHBondContact O-CB 3.4Å; S93-S97 PolarHBondContact O-N 3.4Å; S93-S97 PolarHBondContact O-OG 3.1Å |
| 94 | S | 58.4 | Low | 56.9 | Low | 71 Ų | 71 | 118.1 Ų | 118.1 | 50% | 0.497 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -71.3 | -33.6 | 176.3 | 62 | 0 | 0 | 0 | 0 | 112.8 | C90 A91 | C90-S94 PolarHBondContact O-N 3.21Å; C90-S94 PolarHBondContact O-OG 3.22Å; A91-S94 WeakPolarHBondContact CA-OG 3.5Å; A91-S94 PolarHBondContact O-OG 3.17Å |
| 95 | N | 56.6 | Low | 55.8 | Low | 141 Ų | 141 | 120.5 Ų | 120.5 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -86.4 | -15 | 175.8 | -72.1 | -3.3 | 0 | 0 | 0 | 113.5 | A91 | A91-N95 WeakPolarHBondContact O-CB 3.3Å; A91-N95 PolarHBondContact O-N 2.85Å |
| 96 | G | 55.7 | Low | 54.1 | Low | 62 Ų | 62 | 121.6 Ų | 121.6 | 64% | 0.639 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -97.2 | -12.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R92 S93 | R92-G96 WeakPolarHBondContact O-CA 3.47Å; R92-G96 PolarHBondContact O-N 2.74Å; S93-G96 PolarHBondContact O-N 3.5Å |
| 97 | S | 52.6 | Low | 52.6 | Low | 96 Ų | 96 | 120.3 Ų | 120.3 | 67% | 0.671 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -101.1 | -3.1 | -178.6 | 54.2 | 0 | 0 | 0 | 0 | 114.5 | S93 | S93-S97 WeakPolarHBondContact O-CB 3.4Å; S93-S97 PolarHBondContact O-N 3.4Å; S93-S97 PolarHBondContact O-OG 3.1Å |
| 98 | S | 52.6 | Low | 50.6 | Low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -102.2 | 14.2 | 179.9 | -159 | 0 | 0 | 0 | 0 | 115.4 | ||
| 99 | Q | 49.1 | Very low | 49.4 | Very low | 186 Ų | 186 | 123.4 Ų | 123.4 | 87% | 0.869 | 71% | 0.712 | S | S | * | * | trans | -138.9 | 78.8 | 170.8 | -71.7 | -163.6 | 13.5 | 0 | 0 | 114.1 | ||||
| 100 | R | 48.2 | Very low | 48.5 | Very low | 236 Ų | 236 | 123.3 Ų | 123.3 | 89% | 0.891 | 72% | 0.721 | S | S | * | * | trans | -152.3 | 136.7 | 132.7 | -117.2 | -172.1 | 168.6 | -179.1 | -2.5 | 105.9 | ||||
| 101 | P | 46.9 | Very low | 47.3 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | cis | -141 | 143 | 38.7 | 36.9 | -17.8 | 0 | 0 | 0 | 115.1 | ||||
| 102 | Q | 37 | Very low | 46.2 | Very low | 196 Ų | 196 | 131.1 Ų | 131.1 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -164.5 | 134.4 | 137.8 | -120.7 | -173.6 | 57 | 0 | 0 | 112.8 | ||||
| 103 | A | 45.1 | Very low | 45.3 | Very low | 97 Ų | 97 | 125 Ų | 125 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | trans | -69.4 | 146.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 104 | G | 35.4 | Very low | 44.3 | Very low | 74 Ų | 74 | 129 Ų | 129 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | 167 | 95.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 105 | V | 46.9 | Very low | 43.7 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -13.8 | 121.8 | 153.5 | 177.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 106 | Q | 36.8 | Very low | 42.8 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | -175.3 | 124.2 | 118.9 | -101.4 | -163.3 | 73 | 0 | 0 | 111.2 | |||||
| 107 | A | 45.3 | Very low | 42.2 | Very low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | trans | -75.2 | 127.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 108 | E | 29.6 | Very low | 41.5 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -160.8 | 128.8 | 144.8 | -158.7 | 141.4 | 109.1 | 0 | 0 | 110.1 | ||||
| 109 | V | 41.4 | Very low | 40.9 | Very low | 130 Ų | 130 | 145.7 Ų | 145.7 | 79% | 0.788 | 83% | 0.827 | S | S | * | * | trans | -135.1 | 155.5 | 171.9 | 172.8 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 110 | P | 47.4 | Very low | 40.9 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 82% | 0.817 | S | S | * | * | cis | -127 | 163.3 | -23.4 | 31.7 | -15.8 | 0 | 0 | 0 | 111.6 | ||||
| 111 | H | 35.3 | Very low | 40.7 | Very low | 201 Ų | 201 | 135.5 Ų | 135.5 | 93% | 0.931 | 81% | 0.807 | S | S | * | * | trans | -165.2 | 124 | 144.6 | -100.8 | -61.5 | 0 | 0 | 0 | 113.7 | ||||
| 112 | G | 35.3 | Very low | 40.5 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | 99.2 | 114.1 | 135.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 113 | G | 38.8 | Very low | 40.2 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 155.6 | 97.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 114 | D | 35.9 | Very low | 40.1 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -63.5 | 132.4 | -168.4 | -54.4 | -76.8 | 0 | 0 | 0 | 115.8 | R116 | D114-R116 PolarHBondContact O-N 3.18Š| ||
| 115 | S | 46.3 | Very low | 40.3 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | trans | -65.3 | 105.6 | 159.7 | -72.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 116 | R | 37.2 | Very low | 39.9 | Very low | 232 Ų | 232 | 140.8 Ų | 140.8 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -124.9 | 122.9 | 168.6 | -141.8 | -172.2 | -133.1 | -82.3 | 1.9 | 111.5 | D114 | D114-R116 PolarHBondContact O-N 3.18Š| ||
| 117 | L | 44 | Very low | 39.6 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -38.9 | 143.2 | 173.9 | -78.5 | 77.2 | 0 | 0 | 0 | 114.1 | ||||
| 118 | G | 36.1 | Very low | 39.3 | Very low | 78 Ų | 78 | 147 Ų | 147 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -74 | 159.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 119 | R | 40.3 | Very low | 39.7 | Very low | 220 Ų | 220 | 144.2 Ų | 144.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | 167 | 176.4 | 148.4 | -123.2 | -168.2 | 170.2 | 164.9 | 0.3 | 108.2 | ||||
| 120 | P | 49.7 | Very low | 39.7 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 66% | 0.662 | 79% | 0.788 | S | S | * | * | cis | -138.6 | -149.7 | -6 | 37.2 | -12.6 | 0 | 0 | 0 | 111.8 | ||||
| 121 | P | 44.1 | Very low | 39.2 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 69% | 0.688 | 80% | 0.797 | S | S | * | * | cis | -130.1 | 143.3 | -11.5 | 30.5 | -7.9 | 0 | 0 | 0 | 115.6 | ||||
| 122 | Q | 42.9 | Very low | 39.2 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 57.7 | 115.3 | 105.5 | -53.9 | -149.1 | 106.5 | 0 | 0 | 117 | |||||
| 123 | D | 30.6 | Very low | 39.2 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | 168.6 | 162.9 | 107.6 | -90 | -33.6 | 0 | 0 | 0 | 113.8 | |||||
| 124 | S | 43.8 | Very low | 39.2 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 97 | 76.5 | 169.4 | -63.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 125 | E | 38.4 | Very low | 39.2 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | trans | -37.3 | 157.3 | 135.5 | -156.4 | -177.6 | 97.8 | 0 | 0 | 114.2 | ||||
| 126 | I | 39.5 | Very low | 38.8 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | 91.7 | 97.1 | 165.9 | -46.4 | 147.6 | 0 | 0 | 0 | 115 | ||||
| 127 | Q | 30 | Very low | 38.8 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 176.2 | 112.2 | 99 | -161.8 | 153.5 | 23.8 | 0 | 0 | 111.6 | |||||
| 128 | R | 38.1 | Very low | 38.7 | Very low | 216 Ų | 216 | 133.4 Ų | 133.4 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | trans | -74.2 | 145.9 | 154.7 | -126.1 | -169.9 | -133.8 | 136.7 | 1 | 107.7 | ||||
| 129 | P | 37.5 | Very low | 39 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | -132.4 | 125.3 | 113.8 | 21 | -3.5 | 0 | 0 | 0 | 111.4 | |||||
| 130 | S | 42.3 | Very low | 38.8 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 55% | 0.552 | 76% | 0.762 | S | S | * | * | trans | -99.6 | 123.4 | 157.3 | 45.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 131 | L | 37.3 | Very low | 38.3 | Very low | 162 Ų | 162 | 128.2 Ų | 128.2 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | 174.8 | 136 | 132.3 | -98.6 | 144.3 | 0 | 0 | 0 | 113.5 | ||||
| 132 | S | 34.8 | Very low | 37.9 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | 77.4 | 133.3 | 152.6 | -55.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 133 | A | 34.6 | Very low | 38 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | cis | -156.1 | 159.4 | 19.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 134 | A | 40.8 | Very low | 38.7 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -53.9 | 146.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 135 | S | 34.2 | Very low | 38.6 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | 164.2 | 120.4 | 114.8 | 57.5 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 136 | S | 38.1 | Very low | 38.8 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | 40.7 | 120.4 | 141 | 62.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 137 | S | 37.1 | Very low | 39.2 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 161 | 139 | 94.1 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 138 | Q | 43.1 | Very low | 39.8 | Very low | 187 Ų | 187 | 115.4 Ų | 115.4 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | 79.9 | 84.3 | 160.2 | -56.1 | -179 | 23.2 | 0 | 0 | 117.8 | ||||
| 139 | S | 41.2 | Very low | 40.3 | Very low | 114 Ų | 114 | 112.1 Ų | 112.1 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -78.9 | 156.1 | 147.5 | 73.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 140 | A | 36.9 | Very low | 40.8 | Very low | 85 Ų | 85 | 108.8 Ų | 108.8 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | trans | 70.7 | 71.4 | 150.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | A142 | A140-A142 PolarHBondContact O-N 3.47Š| ||
| 141 | G | 38.1 | Very low | 41.2 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 95% | 0.948 | 77% | 0.765 | S | S | * | * | trans | -73.2 | 76.1 | 145.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 142 | A | 36.9 | Very low | 41.9 | Very low | 77 Ų | 77 | 111.5 Ų | 111.5 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | trans | -75.2 | 130.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A140 | A140-A142 PolarHBondContact O-N 3.47Š| ||
| 143 | C | 44.6 | Very low | 42.8 | Very low | 120 Ų | 120 | 114.6 Ų | 114.6 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | 53.5 | 74.6 | 135.4 | -54.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 144 | L | 46.5 | Very low | 43.7 | Very low | 176 Ų | 176 | 115.3 Ų | 115.3 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -154.7 | 113.1 | 148.2 | -68.2 | 177.6 | 0 | 0 | 0 | 105.2 | ||||
| 145 | D | 40.8 | Very low | 44.2 | Very low | 136 Ų | 136 | 116.5 Ų | 116.5 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | -169.4 | 97.8 | 72 | 177 | 34.3 | 0 | 0 | 0 | 108.8 | A147 | D145-A147 PolarHBondContact OD1-N 2.98Š| |||
| 146 | A | 42.3 | Very low | 45.1 | Very low | 106 Ų | 106 | 117.6 Ų | 117.6 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -123.4 | 37.6 | 163 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 147 | A | 48.3 | Very low | 45.4 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | trans | -122.7 | 16.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D145 | D145-A147 PolarHBondContact OD1-N 2.98Š| ||
| 148 | G | 43.1 | Very low | 45.8 | Very low | 60 Ų | 60 | 125 Ų | 125 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -86.2 | -14.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 149 | T | 48.8 | Very low | 45.9 | Very low | 148 Ų | 148 | 121.9 Ų | 121.9 | 91% | 0.908 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -108.6 | 0.2 | -171.1 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | ||
| 150 | G | 48.1 | Very low | 46.2 | Very low | 53 Ų | 53 | 122.3 Ų | 122.3 | 55% | 0.546 | 80% | 0.795 | S | S | . | * | S | Bend | trans | -104.8 | -14.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 151 | L | 49.8 | Very low | 46.7 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -4.2 | -165.6 | -139.6 | 101 | 0 | 0 | 0 | 115.4 | ||
| 152 | L | 52.3 | Low | 47.2 | Very low | 164 Ų | 164 | 126.3 Ų | 126.3 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -3.1 | 179.2 | -62.4 | -171.7 | 0 | 0 | 0 | 114.1 | ||
| 153 | Q | 53.1 | Low | 47.8 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -95.4 | -7.1 | -179.3 | -154.5 | 166 | 41.9 | 0 | 0 | 113.6 | ||
| 154 | T | 53.8 | Low | 48.1 | Very low | 114 Ų | 114 | 130 Ų | 130 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -104.1 | 4.1 | -172.9 | 60.1 | 0 | 0 | 0 | 0 | 114.8 | ||
| 155 | V | 51.1 | Low | 48.2 | Very low | 120 Ų | 120 | 126.7 Ų | 126.7 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -103.7 | -4.2 | -179 | -173 | 0 | 0 | 0 | 0 | 112.8 | ||
| 156 | V | 53.9 | Low | 48.7 | Very low | 127 Ų | 127 | 126 Ų | 126 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -116.3 | 81 | 173.9 | -177 | 0 | 0 | 0 | 0 | 108.4 | ||
| 157 | L | 43.9 | Very low | 49.3 | Very low | 172 Ų | 172 | 127.7 Ų | 127.7 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -168.9 | 78.7 | 154.6 | -95.7 | 156.6 | 0 | 0 | 0 | 105.9 | ||||
| 158 | S | 44.8 | Very low | 49.4 | Very low | 192 Ų | 192 | 132.7 Ų | 132.7 | 100% | 1.343 | 81% | 0.809 | S | S | * | * | trans | -83.8 | 0 | 151.7 | -64.3 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 158 of 158 residues in 196.1 ms
(Link to these results)