| 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 | 46.1 | Very low | 247 Ų | 247 | 155.1 Ų | 155.1 | 100% | 1.217 | 81% | 0.813 | S | S | * | * | 0 | 107.6 | 0 | -151.5 | 167.9 | -176.3 | 0 | 0 | 106.1 | |||||
| 2 | K | 36.6 | Very low | 47.2 | Very low | 213 Ų | 213 | 151.6 Ų | 151.6 | 93% | 0.926 | 80% | 0.802 | S | S | * | * | trans | -80.3 | 119.6 | -174.1 | -74.9 | -179.5 | 175.5 | -177.7 | 0 | 108.5 | A4 | K2-A4 PolarHBondContact O-N 3.43Š| ||
| 3 | Q | 39.1 | Very low | 47.9 | Very low | 199 Ų | 199 | 147.8 Ų | 147.8 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -87.3 | 99.7 | 170.7 | -158.2 | 159.5 | -2.4 | 0 | 0 | 106.5 | ||||
| 4 | A | 41.3 | Very low | 48.3 | Very low | 84 Ų | 84 | 145.6 Ų | 145.6 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | -82.2 | 118.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | K2 V6 | K2-A4 PolarHBondContact O-N 3.43Å; A4-V6 PolarHBondContact O-N 3.48Å | ||
| 5 | L | 49.6 | Very low | 48.6 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -66.2 | 105.4 | 171.4 | -150 | 153.8 | 0 | 0 | 0 | 106.2 | D7 | L5-D7 PolarHBondContact O-N 3.22Š| ||
| 6 | V | 52.8 | Low | 49 | Very low | 124 Ų | 124 | 142 Ų | 142 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -82.7 | 114.8 | 173.4 | 178.1 | 0 | 0 | 0 | 0 | 106.2 | A4 | A4-V6 PolarHBondContact O-N 3.48Š| ||
| 7 | D | 42.6 | Very low | 49.5 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 65% | 0.647 | 74% | 0.739 | S | S | * | * | trans | -69.5 | 116.3 | 178.2 | -176.2 | 54.7 | 0 | 0 | 0 | 109.5 | L5 T9 | L5-D7 PolarHBondContact O-N 3.22Å; D7-T9 VanDerWaalsContact C-N 3.26Å; D7-T9 PolarHBondContact O-N 2.77Å; D7-T9 PolarHBondContact OD2-OG1 3.05Å | ||
| 8 | D | 53.7 | Low | 49.9 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -75.6 | 81.2 | 168.3 | -81 | -45.3 | 0 | 0 | 0 | 108.5 | ||||
| 9 | T | 51.3 | Low | 50.2 | Low | 89 Ų | 89 | 133.9 Ų | 133.9 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | trans | -105.2 | 94.5 | 161 | -58.5 | 0 | 0 | 0 | 0 | 106.7 | D7 D11 | D7-T9 VanDerWaalsContact C-N 3.26Å; D7-T9 PolarHBondContact O-N 2.77Å; D7-T9 PolarHBondContact OD2-OG1 3.05Å; T9-D11 PolarHBondContact O-N 3.25Å; T9-D11 VanDerWaalsContact O-OD1 3.07Å | ||
| 10 | E | 51.6 | Low | 50.4 | Low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -72.4 | 104.8 | 166.3 | -68.2 | -166.9 | 148.8 | 0 | 0 | 108.1 | V12 | E10-V12 VanDerWaalsContact C-N 3.28Å; E10-V12 PolarHBondContact O-N 3.1Å | ||
| 11 | D | 49.8 | Very low | 50.6 | Low | 139 Ų | 139 | 133.5 Ų | 133.5 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | trans | -64.3 | 89 | 170.2 | -10.5 | -53 | 0 | 0 | 0 | 109 | T9 S13 | T9-D11 PolarHBondContact O-N 3.25Å; T9-D11 VanDerWaalsContact O-OD1 3.07Å; D11-S13 PolarHBondContact O-N 2.83Å | ||
| 12 | V | 58.8 | Low | 51.3 | Low | 113 Ų | 113 | 126.3 Ų | 126.3 | 69% | 0.685 | 68% | 0.675 | S | S | * | * | trans | -72.9 | 76 | 162.1 | -176.2 | 0 | 0 | 0 | 0 | 106.9 | E10 L14 | E10-V12 VanDerWaalsContact C-N 3.28Å; E10-V12 PolarHBondContact O-N 3.1Å; V12-L14 VanDerWaalsContact C-N 3.27Å; V12-L14 HydrophobicContact CG1-CD2 3.99Å; V12-L14 HydrophobicContact CG1-CG 4.18Å; V12-L14 PolarHBondContact O-N 3.43Å | ||
| 13 | S | 55.8 | Low | 52.1 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 65% | 0.652 | S | S | * | * | trans | -65.3 | 95.9 | 162.7 | 55.5 | 0 | 0 | 0 | 0 | 106.8 | D11 D15 | D11-S13 PolarHBondContact O-N 2.83Å; S13-D15 PolarHBondContact O-N 2.95Å | ||
| 14 | L | 54.1 | Low | 52.6 | Low | 118 Ų | 118 | 118 Ų | 118 | 62% | 0.618 | 65% | 0.646 | S | S | * | * | trans | -60 | 104.5 | 171.3 | -68 | 165.5 | 0 | 0 | 0 | 107.6 | V12 F16 | V12-L14 VanDerWaalsContact C-N 3.27Å; V12-L14 HydrophobicContact CG1-CD2 3.99Å; V12-L14 HydrophobicContact CG1-CG 4.18Å; V12-L14 PolarHBondContact O-N 3.43Å; L14-F16 HydrophobicContact CB-CD2 3.36Å; L14-F16 HydrophobicContact CB-CE2 3.24Å; L14-F16 HydrophobicContact CB-CG 4.31Å; L14-F16 HydrophobicContact CB-CZ 4.07Å; L14-F16 HydrophobicContact CD1-CD2 4.32Å; L14-F16 HydrophobicContact CD1-CE2 3.35Å; L14-F16 HydrophobicContact CD1-CZ 3.88Å; L14-F16 HydrophobicContact CD2-CE2 4.31Å; L14-F16 HydrophobicContact CD2-CZ 4.4Å; L14-F16 HydrophobicContact CG-CD2 4.38Å; L14-F16 HydrophobicContact CG-CE2 3.77Å; L14-F16 HydrophobicContact CG-CZ 4.33Å; L14-F16 PolarHBondContact O-N 3.28Å | ||
| 15 | D | 53.4 | Low | 53 | Low | 100 Ų | 100 | 123.2 Ų | 123.2 | 54% | 0.535 | 65% | 0.648 | S | S | . | * | trans | -71.3 | 60.2 | 176.3 | -174.3 | 28.3 | 0 | 0 | 0 | 110.6 | S13 G17 N18 | S13-D15 PolarHBondContact O-N 2.95Å; D15-G17 PolarHBondContact O-N 3.29Å; D15-N18 VanDerWaalsContact CG-CB 3.48Å; D15-N18 VanDerWaalsContact OD1-CB 3.3Å; D15-N18 WeakPolarHBondContact OD1-CB 3.32Å; D15-N18 PolarHBondContact OD1-N 2.95Å; D15-N18 WeakPolarHBondContact OD2-CB 3.5Å | ||
| 16 | F | 54.9 | Low | 53 | Low | 133 Ų | 133 | 122.4 Ų | 122.4 | 58% | 0.583 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.2 | -20.1 | 176.1 | -75.8 | -66.7 | 0 | 0 | 0 | 112.4 | L14 E20 | L14-F16 HydrophobicContact CB-CD2 3.36Å; L14-F16 HydrophobicContact CB-CE2 3.24Å; L14-F16 HydrophobicContact CB-CG 4.31Å; L14-F16 HydrophobicContact CB-CZ 4.07Å; L14-F16 HydrophobicContact CD1-CD2 4.32Å; L14-F16 HydrophobicContact CD1-CE2 3.35Å; L14-F16 HydrophobicContact CD1-CZ 3.88Å; L14-F16 HydrophobicContact CD2-CE2 4.31Å; L14-F16 HydrophobicContact CD2-CZ 4.4Å; L14-F16 HydrophobicContact CG-CD2 4.38Å; L14-F16 HydrophobicContact CG-CE2 3.77Å; L14-F16 HydrophobicContact CG-CZ 4.33Å; L14-F16 PolarHBondContact O-N 3.28Å; F16-E20 PolarHBondContact O-N 2.89Å |
| 17 | G | 56.7 | Low | 53.1 | Low | 47 Ų | 47 | 118.4 Ų | 118.4 | 49% | 0.485 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.5 | -39.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D15 E21 | D15-G17 PolarHBondContact O-N 3.29Å; G17-E21 WeakPolarHBondContact O-CB 3.04Å; G17-E21 PolarHBondContact O-N 2.86Å; G17-E21 VanDerWaalsContact O-N 3.15Å |
| 18 | N | 56.8 | Low | 54 | Low | 83 Ų | 83 | 120.7 Ų | 120.7 | 44% | 0.444 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74.2 | -32.4 | -176.8 | -165.8 | 47 | 0 | 0 | 0 | 112.2 | D15 L22 | D15-N18 VanDerWaalsContact CG-CB 3.48Å; D15-N18 VanDerWaalsContact OD1-CB 3.3Å; D15-N18 WeakPolarHBondContact OD1-CB 3.32Å; D15-N18 PolarHBondContact OD1-N 2.95Å; D15-N18 WeakPolarHBondContact OD2-CB 3.5Å; N18-L22 VanDerWaalsContact O-CB 3.28Å; N18-L22 WeakPolarHBondContact O-CB 3.4Å; N18-L22 PolarHBondContact O-N 2.79Å |
| 19 | E | 55.2 | Low | 54.6 | Low | 143 Ų | 143 | 116.8 Ų | 116.8 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.1 | -40.5 | 175.2 | -65.9 | -159.5 | 124.6 | 0 | 0 | 112.8 | A23 | E19-A23 WeakPolarHBondContact O-CB 3.35Å; E19-A23 PolarHBondContact O-N 2.79Å |
| 20 | E | 55.4 | Low | 55.4 | Low | 155 Ų | 155 | 118.4 Ų | 118.4 | 72% | 0.724 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.8 | -42.4 | 174 | -97.1 | -169.4 | 146.8 | 0 | 0 | 111.7 | F16 A23 F24 | F16-E20 PolarHBondContact O-N 2.89Å; E20-A23 PolarHBondContact O-N 3.21Å; E20-F24 WeakPolarHBondContact O-CB 3.36Å; E20-F24 PolarHBondContact O-N 3.35Å |
| 21 | E | 53 | Low | 56.6 | Low | 103 Ų | 103 | 113.1 Ų | 113.1 | 48% | 0.481 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.1 | -36.7 | -179 | -151.6 | -173.6 | 139.3 | 0 | 0 | 112.2 | G17 F24 R25 | G17-E21 WeakPolarHBondContact O-CB 3.04Å; G17-E21 PolarHBondContact O-N 2.86Å; G17-E21 VanDerWaalsContact O-N 3.15Å; E21-F24 PolarHBondContact O-N 2.92Å; E21-R25 WeakPolarHBondContact O-CB 3.49Å; E21-R25 VanDerWaalsContact O-CG 3.25Å; E21-R25 WeakPolarHBondContact O-CG 3.25Å; E21-R25 PolarHBondContact O-N 2.85Å; E21-R25 IonicContact OE1-CZ 2.89Å; E21-R25 IonicContact OE1-NE 2.72Å; E21-R25 PolarHBondContact OE1-NE 3.11Å; E21-R25 IonicContact OE1-NH2 3.39Å; E21-R25 PolarHBondContact OE1-NH2 3.07Å |
| 22 | L | 55.2 | Low | 58.1 | Low | 97 Ų | 97 | 110.4 Ų | 110.4 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.1 | -38.3 | 170.3 | -105.2 | 151.5 | 0 | 0 | 0 | 112.3 | N18 F24 R25 K26 | N18-L22 VanDerWaalsContact O-CB 3.28Å; N18-L22 WeakPolarHBondContact O-CB 3.4Å; N18-L22 PolarHBondContact O-N 2.79Å; L22-F24 VanDerWaalsContact C-N 3.31Å; L22-F24 PolarHBondContact O-N 3.3Å; L22-R25 PolarHBondContact O-N 3Å; L22-K26 VanDerWaalsContact O-CB 3.24Å; L22-K26 WeakPolarHBondContact O-CB 3.26Å; L22-K26 PolarHBondContact O-N 3.2Å |
| 23 | A | 52.8 | Low | 59.2 | Low | 55 Ų | 55 | 110.5 Ų | 110.5 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.8 | -37.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E19 E20 A27 | E19-A23 WeakPolarHBondContact O-CB 3.35Å; E19-A23 PolarHBondContact O-N 2.79Å; E20-A23 PolarHBondContact O-N 3.21Å; A23-A27 PolarHBondContact O-N 3.38Å |
| 24 | F | 49.9 | Very low | 60.5 | Low | 181 Ų | 181 | 106 Ų | 106 | 79% | 0.794 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.3 | -42.7 | 173.9 | -129.8 | -86 | 0 | 0 | 0 | 112.2 | E20 E21 L22 K26 A27 | E20-F24 WeakPolarHBondContact O-CB 3.36Å; E20-F24 PolarHBondContact O-N 3.35Å; E21-F24 PolarHBondContact O-N 2.92Å; L22-F24 VanDerWaalsContact C-N 3.31Å; L22-F24 PolarHBondContact O-N 3.3Å; F24-K26 VanDerWaalsContact C-N 3.28Å; F24-K26 PolarHBondContact O-N 3Å; F24-A27 WeakPolarHBondContact O-CB 3.13Å; F24-A27 PolarHBondContact O-N 3.44Å |
| 25 | R | 49.4 | Very low | 62 | Low | 195 Ų | 195 | 100.9 Ų | 100.9 | 74% | 0.736 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.7 | -22.8 | 177.2 | -72.7 | 176.5 | -174.3 | -139.8 | 6.7 | 113.4 | E21 L22 | E21-R25 WeakPolarHBondContact O-CB 3.49Å; E21-R25 VanDerWaalsContact O-CG 3.25Å; E21-R25 WeakPolarHBondContact O-CG 3.25Å; E21-R25 PolarHBondContact O-N 2.85Å; E21-R25 IonicContact OE1-CZ 2.89Å; E21-R25 IonicContact OE1-NE 2.72Å; E21-R25 PolarHBondContact OE1-NE 3.11Å; E21-R25 IonicContact OE1-NH2 3.39Å; E21-R25 PolarHBondContact OE1-NH2 3.07Å; L22-R25 PolarHBondContact O-N 3Å |
| 26 | K | 50.3 | Low | 63.5 | Low | 147 Ų | 147 | 101.7 Ų | 101.7 | 64% | 0.639 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 2.5 | 178.5 | -152.5 | -179.2 | -175.7 | -173.2 | 0 | 113.8 | L22 F24 K28 | L22-K26 VanDerWaalsContact O-CB 3.24Å; L22-K26 WeakPolarHBondContact O-CB 3.26Å; L22-K26 PolarHBondContact O-N 3.2Å; F24-K26 VanDerWaalsContact C-N 3.28Å; F24-K26 PolarHBondContact O-N 3Å; K26-K28 PolarHBondContact O-N 2.72Å |
| 27 | A | 54.8 | Low | 65 | Low | 40 Ų | 40 | 99.2 Ų | 99.2 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | trans | -72.5 | 67.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A23 F24 I29 A119 | A23-A27 PolarHBondContact O-N 3.38Å; F24-A27 WeakPolarHBondContact O-CB 3.13Å; F24-A27 PolarHBondContact O-N 3.44Å; A27-I29 PolarHBondContact O-N 3.3Å; A27-A119 HydrophobicContact CB-CB 4.01Å | ||
| 28 | K | 60.4 | Low | 66.4 | Low | 169 Ų | 169 | 97 Ų | 97 | 74% | 0.735 | 47% | 0.465 | S | S | * | . | trans | -70.9 | 100.1 | 169.8 | -174.3 | 171.4 | -177 | 176 | 0 | 107.9 | K26 R30 A116 | K26-K28 PolarHBondContact O-N 2.72Å; K28-R30 PolarHBondContact O-N 2.93Å; K28-A116 HydrophobicContact CB-CB 4.48Å; K28-A116 VanDerWaalsContact O-CA 3.23Å; K28-A116 WeakPolarHBondContact O-CA 3.44Å; K28-A116 WeakPolarHBondContact O-CB 3.39Å | ||
| 29 | I | 66.6 | Low | 67.9 | Low | 74 Ų | 74 | 96.6 Ų | 96.6 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | trans | -69.4 | 119.9 | 174.3 | -53.6 | 177.6 | 0 | 0 | 0 | 107.9 | A27 P32 E120 | A27-I29 PolarHBondContact O-N 3.3Å; I29-P32 HydrophobicContact CG2-CB 4.05Å; I29-E120 HydrophobicContact CG2-CG 4.03Å; I29-E120 WeakPolarHBondContact CG2-OE1 3.09Å | ||
| 30 | R | 68.6 | Low | 69.5 | Low | 123 Ų | 123 | 94.1 Ų | 94.1 | 46% | 0.464 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -81.7 | -36 | -176.1 | -175.3 | -175.9 | 179.6 | 124.9 | 8.1 | 112 | K28 P32 N113 A116 E120 | K28-R30 PolarHBondContact O-N 2.93Å; R30-P32 WeakPolarHBondContact O-CD 3.48Å; R30-N113 PolarHBondContact NH1-OD1 3.34Å; R30-A116 HydrophobicContact CB-CB 4.48Å; R30-E120 WeakPolarHBondContact CA-OE1 3.3Å; R30-E120 PolarHBondContact N-OE1 3.46Å |
| 31 | H | 77.2 | Confident | 71 | Confident | 59 Ų | 59 | 88.6 Ų | 88.6 | 27% | 0.273 | 42% | 0.423 | S | S | . | . | trans | -124.4 | 64.9 | -177.5 | -60.1 | -65.4 | 0 | 0 | 0 | 109.7 | L33 A34 T35 L85 E120 | H31-L33 PolarHBondContact O-N 3.37Å; H31-A34 HydrophobicContact CB-CB 3.91Å; H31-A34 PolarHBondContact O-N 3.4Å; H31-A34 VanDerWaalsContact O-N 3.1Å; H31-T35 PolarHBondContact O-N 3.39Å; H31-T35 VanDerWaalsContact O-N 3.08Å; H31-T35 PolarHBondContact O-OG1 3.47Å; H31-L85 HydrophobicContact CB-CD2 4.33Å; H31-E120 WeakPolarHBondContact CA-OE1 3.45Å; H31-E120 IonicContact CD2-OE2 3.73Å; H31-E120 PolarHBondContact N-OE1 3.46Å | ||
| 32 | P | 80.5 | Confident | 72.8 | Confident | 81 Ų | 81 | 84.2 Ų | 84.2 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | -177 | 24.9 | -34.4 | 0 | 0 | 0 | 112.1 | I29 R30 T35 F36 | I29-P32 HydrophobicContact CG2-CB 4.05Å; R30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-T35 PolarHBondContact O-N 3.15Å; P32-F36 WeakPolarHBondContact O-CB 3.48Å; P32-F36 PolarHBondContact O-N 3.49Å |
| 33 | L | 81.9 | Confident | 74.5 | Confident | 115 Ų | 115 | 83.6 Ų | 83.6 | 60% | 0.602 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 176.9 | -169.2 | 68 | 0 | 0 | 0 | 112.3 | H31 F36 F37 | H31-L33 PolarHBondContact O-N 3.37Å; L33-F36 PolarHBondContact O-N 3.3Å; L33-F37 HydrophobicContact CD1-CD2 4.03Å; L33-F37 HydrophobicContact CD1-CE2 3.47Å; L33-F37 VanDerWaalsContact CD1-CE2 3.47Å; L33-F37 HydrophobicContact CD1-CZ 4.23Å; L33-F37 HydrophobicContact CD2-CE2 4.04Å; L33-F37 HydrophobicContact CG-CD2 3.78Å; L33-F37 HydrophobicContact CG-CE2 3.52Å; L33-F37 WeakPolarHBondContact O-CD2 3.34Å; L33-F37 PolarHBondContact O-N 3.01Å |
| 34 | A | 83.7 | Confident | 76.3 | Confident | 9 Ų | 9 | 82.2 Ų | 82.2 | 7% | 0.074 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | H31 F37 H38 T81 L84 L85 | H31-A34 HydrophobicContact CB-CB 3.91Å; H31-A34 PolarHBondContact O-N 3.4Å; H31-A34 VanDerWaalsContact O-N 3.1Å; A34-F37 PolarHBondContact O-N 2.81Å; A34-H38 WeakPolarHBondContact O-CB 2.92Å; A34-H38 PolarHBondContact O-N 2.97Å; A34-T81 WeakPolarHBondContact O-CG2 3.4Å; A34-L84 HydrophobicContact CB-CB 4.35Å; A34-L84 HydrophobicContact CB-CD1 3.85Å; A34-L85 HydrophobicContact CB-CD2 4.18Å |
| 35 | T | 84.6 | Confident | 78.3 | Confident | 9 Ų | 9 | 73.6 Ų | 73.6 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -42.4 | 175.1 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | H31 P32 H38 L39 L85 I123 | H31-T35 PolarHBondContact O-N 3.39Å; H31-T35 VanDerWaalsContact O-N 3.08Å; H31-T35 PolarHBondContact O-OG1 3.47Å; P32-T35 PolarHBondContact O-N 3.15Å; T35-H38 WeakPolarHBondContact O-CB 2.78Å; T35-H38 PolarHBondContact O-N 3.23Å; T35-L39 PolarHBondContact O-N 2.95Å; T35-L85 VanDerWaalsContact OG1-CD2 3.29Å; T35-L85 WeakPolarHBondContact OG1-CD2 3.44Å; T35-I123 HydrophobicContact CG2-CB 4.42Å; T35-I123 HydrophobicContact CG2-CD1 3.93Å; T35-I123 HydrophobicContact CG2-CG2 3.77Å |
| 36 | F | 86.3 | Confident | 80.3 | Confident | 118 Ų | 118 | 65.9 Ų | 65.9 | 52% | 0.518 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -52.1 | 175 | 175 | -97.4 | 0 | 0 | 0 | 111.7 | P32 L33 H38 L39 F40 | P32-F36 WeakPolarHBondContact O-CB 3.48Å; P32-F36 PolarHBondContact O-N 3.49Å; L33-F36 PolarHBondContact O-N 3.3Å; F36-H38 VanDerWaalsContact C-N 3.27Å; F36-H38 PolarHBondContact O-N 1.98Å; F36-L39 PolarHBondContact O-N 2.89Å; F36-L39 VanDerWaalsContact O-N 3.15Å; F36-F40 HydrophobicContact CD1-CB 4.49Å; F36-F40 HydrophobicContact CE1-CB 4.17Å; F36-F40 HydrophobicContact CE1-CD2 4.33Å; F36-F40 HydrophobicContact CE1-CG 4.3Å; F36-F40 HydrophobicContact CZ-CB 4.37Å; F36-F40 HydrophobicContact CZ-CD2 4.08Å; F36-F40 HydrophobicContact CZ-CG 4.45Å; F36-F40 VanDerWaalsContact O-CB 3.29Å; F36-F40 WeakPolarHBondContact O-CB 3.44Å; F36-F40 PolarHBondContact O-N 3.42Å |
| 37 | F | 85.3 | Confident | 82.2 | Confident | 81 Ų | 81 | 62.5 Ų | 62.5 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.4 | -33.2 | 178.9 | -78 | -59.2 | 0 | 0 | 0 | 112.8 | L33 A34 L39 F40 F41 | L33-F37 HydrophobicContact CD1-CD2 4.03Å; L33-F37 HydrophobicContact CD1-CE2 3.47Å; L33-F37 VanDerWaalsContact CD1-CE2 3.47Å; L33-F37 HydrophobicContact CD1-CZ 4.23Å; L33-F37 HydrophobicContact CD2-CE2 4.04Å; L33-F37 HydrophobicContact CG-CD2 3.78Å; L33-F37 HydrophobicContact CG-CE2 3.52Å; L33-F37 WeakPolarHBondContact O-CD2 3.34Å; L33-F37 PolarHBondContact O-N 3.01Å; A34-F37 PolarHBondContact O-N 2.81Å; F37-L39 VanDerWaalsContact C-N 3.31Å; F37-L39 PolarHBondContact O-N 3.37Å; F37-F40 PolarHBondContact O-N 3.05Å; F37-F41 HydrophobicContact CB-CE2 4.16Å; F37-F41 HydrophobicContact CD1-CE2 4.03Å; F37-F41 HydrophobicContact CD1-CZ 4.25Å; F37-F41 HydrophobicContact CG-CE2 4.45Å; F37-F41 WeakPolarHBondContact O-CD2 3.45Å; F37-F41 PolarHBondContact O-N 2.83Å |
| 38 | H | 86.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.5 | -45.3 | 173.5 | -171.1 | 76.6 | 0 | 0 | 0 | 111.6 | A34 T35 F36 R42 T81 L85 F124 | A34-H38 WeakPolarHBondContact O-CB 2.92Å; A34-H38 PolarHBondContact O-N 2.97Å; T35-H38 WeakPolarHBondContact O-CB 2.78Å; T35-H38 PolarHBondContact O-N 3.23Å; F36-H38 VanDerWaalsContact C-N 3.27Å; F36-H38 PolarHBondContact O-N 1.98Å; H38-R42 WeakPolarHBondContact O-CD 3.2Å; H38-R42 WeakPolarHBondContact O-CG 3.45Å; H38-T81 HydrophobicContact CB-CG2 3.73Å; H38-T81 PolarHBondContact ND1-OG1 2.77Å; H38-L85 HydrophobicContact CB-CD1 4.38Å; H38-F124 AromaticContact CE1-CD2 3.58Å; H38-F124 AromaticContact CE1-CE2 3.93Å |
| 39 | L | 87.6 | Confident | 85.2 | Confident | 75 Ų | 75 | 55.3 Ų | 55.3 | 39% | 0.393 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -80.7 | -37.1 | -179.8 | -62.3 | 175.5 | 0 | 0 | 0 | 112.2 | T35 F36 F37 F41 R42 V43 I123 | T35-L39 PolarHBondContact O-N 2.95Å; F36-L39 PolarHBondContact O-N 2.89Å; F36-L39 VanDerWaalsContact O-N 3.15Å; F37-L39 VanDerWaalsContact C-N 3.31Å; F37-L39 PolarHBondContact O-N 3.37Å; L39-F41 PolarHBondContact O-N 3.43Å; L39-R42 PolarHBondContact O-N 3.16Å; L39-V43 WeakPolarHBondContact O-CB 2.94Å; L39-V43 VanDerWaalsContact O-CG2 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.5Å; L39-V43 PolarHBondContact O-N 3.09Å; L39-I123 HydrophobicContact CD1-CG2 4.41Å; L39-I123 HydrophobicContact CD2-CG2 4.45Å |
| 40 | F | 89.6 | Confident | 86.3 | Confident | 91 Ų | 91 | 55.4 Ų | 55.4 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.4 | -50.8 | -175.4 | 175.4 | -99.4 | 0 | 0 | 0 | 112.7 | F36 F37 R42 S44 | F36-F40 HydrophobicContact CD1-CB 4.49Å; F36-F40 HydrophobicContact CE1-CB 4.17Å; F36-F40 HydrophobicContact CE1-CD2 4.33Å; F36-F40 HydrophobicContact CE1-CG 4.3Å; F36-F40 HydrophobicContact CZ-CB 4.37Å; F36-F40 HydrophobicContact CZ-CD2 4.08Å; F36-F40 HydrophobicContact CZ-CG 4.45Å; F36-F40 VanDerWaalsContact O-CB 3.29Å; F36-F40 WeakPolarHBondContact O-CB 3.44Å; F36-F40 PolarHBondContact O-N 3.42Å; F37-F40 PolarHBondContact O-N 3.05Å; F40-R42 VanDerWaalsContact C-N 3.29Å; F40-R42 PolarHBondContact O-N 3.28Å; F40-S44 WeakPolarHBondContact O-CB 3.32Å; F40-S44 PolarHBondContact O-N 2.81Å; F40-S44 PolarHBondContact O-OG 3.5Å |
| 41 | F | 86.9 | Confident | 87 | Confident | 38 Ų | 38 | 51.6 Ų | 51.6 | 17% | 0.167 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.3 | -36.9 | -178.5 | -68.3 | -61.1 | 0 | 0 | 0 | 112.1 | F37 L39 A45 L69 L72 D73 | F37-F41 HydrophobicContact CB-CE2 4.16Å; F37-F41 HydrophobicContact CD1-CE2 4.03Å; F37-F41 HydrophobicContact CD1-CZ 4.25Å; F37-F41 HydrophobicContact CG-CE2 4.45Å; F37-F41 WeakPolarHBondContact O-CD2 3.45Å; F37-F41 PolarHBondContact O-N 2.83Å; L39-F41 PolarHBondContact O-N 3.43Å; F41-A45 WeakPolarHBondContact O-CB 3.16Å; F41-A45 PolarHBondContact O-N 3.01Å; F41-L69 HydrophobicContact CD1-CD2 4.46Å; F41-L72 HydrophobicContact CD1-CB 4.17Å; F41-L72 HydrophobicContact CE1-CB 4.27Å; F41-L72 HydrophobicContact CE1-CD1 4.24Å; F41-D73 HydrophobicContact CB-CB 3.93Å |
| 42 | R | 90.1 | Very high | 87.1 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.9 | -51.5 | 178.7 | -63.9 | 176.3 | 169.3 | -127 | -7.1 | 112.2 | H38 L39 F40 S44 A45 I46 D73 V77 G127 | H38-R42 WeakPolarHBondContact O-CD 3.2Å; H38-R42 WeakPolarHBondContact O-CG 3.45Å; L39-R42 PolarHBondContact O-N 3.16Å; F40-R42 VanDerWaalsContact C-N 3.29Å; F40-R42 PolarHBondContact O-N 3.28Å; R42-S44 VanDerWaalsContact C-N 3.32Å; R42-S44 PolarHBondContact O-N 2.91Å; R42-A45 PolarHBondContact O-N 3.49Å; R42-I46 WeakPolarHBondContact O-CG1 3.24Å; R42-I46 PolarHBondContact O-N 3.37Å; R42-I46 VanDerWaalsContact O-N 3.1Å; R42-D73 VanDerWaalsContact CG-CG 3.49Å; R42-D73 WeakPolarHBondContact CG-OD1 3.47Å; R42-D73 IonicContact CZ-OD2 2.83Å; R42-D73 IonicContact NE-OD1 3.53Å; R42-D73 PolarHBondContact NE-OD1 2.85Å; R42-D73 VanDerWaalsContact NE-OD1 3.15Å; R42-D73 IonicContact NE-OD2 3.3Å; R42-D73 IonicContact NH2-OD2 2.72Å; R42-V77 VanDerWaalsContact NH2-CG2 3.29Å; R42-G127 PolarHBondContact NH1-O 3.32Å |
| 43 | V | 90.9 | Very high | 86.5 | Confident | 83 Ų | 83 | 51.4 Ų | 51.4 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 109.6 | L39 A45 I46 V47 | L39-V43 WeakPolarHBondContact O-CB 2.94Å; L39-V43 VanDerWaalsContact O-CG2 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.5Å; L39-V43 PolarHBondContact O-N 3.09Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 3.15Å; V43-I46 PolarHBondContact O-N 3.46Å; V43-V47 HydrophobicContact CG1-CG2 3.96Å; V43-V47 WeakPolarHBondContact O-CB 3.28Å; V43-V47 VanDerWaalsContact O-CG2 3.26Å; V43-V47 WeakPolarHBondContact O-CG2 3.48Å; V43-V47 PolarHBondContact O-N 3.38Å |
| 44 | S | 91.4 | Very high | 85.7 | Confident | 26 Ų | 26 | 56.2 Ų | 56.2 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 112 | F40 R42 T48 | F40-S44 WeakPolarHBondContact O-CB 3.32Å; F40-S44 PolarHBondContact O-N 2.81Å; F40-S44 PolarHBondContact O-OG 3.5Å; R42-S44 VanDerWaalsContact C-N 3.32Å; R42-S44 PolarHBondContact O-N 2.91Å; S44-T48 VanDerWaalsContact O-CB 3.24Å; S44-T48 WeakPolarHBondContact O-CB 3.49Å; S44-T48 PolarHBondContact O-N 3.28Å; S44-T48 PolarHBondContact O-OG1 3.41Å |
| 45 | A | 91.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | F41 R42 V43 Y49 L69 W135 | F41-A45 WeakPolarHBondContact O-CB 3.16Å; F41-A45 PolarHBondContact O-N 3.01Å; R42-A45 PolarHBondContact O-N 3.49Å; V43-A45 VanDerWaalsContact C-N 3.33Å; V43-A45 PolarHBondContact O-N 3.15Å; A45-Y49 WeakPolarHBondContact O-CB 3.31Å; A45-Y49 PolarHBondContact O-N 2.93Å; A45-L69 HydrophobicContact CB-CB 3.9Å; A45-W135 HydrophobicContact CB-CZ2 4.4Å |
| 46 | I | 91.4 | Very high | 83.3 | Confident | 33 Ų | 33 | 65.3 Ų | 65.3 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.3 | -50 | 178.6 | -68.1 | 163.6 | 0 | 0 | 0 | 110.9 | R42 V43 T48 Y49 V50 I134 F138 | R42-I46 WeakPolarHBondContact O-CG1 3.24Å; R42-I46 PolarHBondContact O-N 3.37Å; R42-I46 VanDerWaalsContact O-N 3.1Å; V43-I46 PolarHBondContact O-N 3.46Å; I46-T48 VanDerWaalsContact C-N 3.35Å; I46-T48 PolarHBondContact O-N 3.3Å; I46-Y49 WeakPolarHBondContact O-CB 3.48Å; I46-Y49 PolarHBondContact O-N 3.03Å; I46-V50 WeakPolarHBondContact O-CG2 3.24Å; I46-V50 PolarHBondContact O-N 3.03Å; I46-I134 HydrophobicContact CD1-CD1 3.97Å; I46-I134 HydrophobicContact CD1-CG2 4.06Å; I46-I134 HydrophobicContact CG1-CG2 4.33Å; I46-F138 HydrophobicContact CG1-CE2 4.47Å; I46-F138 HydrophobicContact CG2-CE2 4.04Å; I46-F138 HydrophobicContact CG2-CZ 3.99Å |
| 47 | V | 91 | Very high | 81.9 | Confident | 75 Ų | 75 | 68.3 Ų | 68.3 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.2 | -48.1 | 178 | 170.3 | 0 | 0 | 0 | 0 | 109.8 | V43 Y49 V50 C51 | V43-V47 HydrophobicContact CG1-CG2 3.96Å; V43-V47 WeakPolarHBondContact O-CB 3.28Å; V43-V47 VanDerWaalsContact O-CG2 3.26Å; V43-V47 WeakPolarHBondContact O-CG2 3.48Å; V43-V47 PolarHBondContact O-N 3.38Å; V47-Y49 VanDerWaalsContact C-N 3.33Å; V47-Y49 PolarHBondContact O-N 2.9Å; V47-V50 PolarHBondContact O-N 3.42Å; V47-C51 WeakPolarHBondContact O-CB 3.34Å; V47-C51 PolarHBondContact O-N 3.04Å; V47-C51 PolarHBondContact O-SG 2.92Å |
| 48 | T | 89.3 | Confident | 81.4 | Confident | 34 Ų | 34 | 69 Ų | 69 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 177 | -53.7 | 0 | 0 | 0 | 0 | 110.9 | S44 I46 V50 C51 C52 T65 V66 L69 | S44-T48 VanDerWaalsContact O-CB 3.24Å; S44-T48 WeakPolarHBondContact O-CB 3.49Å; S44-T48 PolarHBondContact O-N 3.28Å; S44-T48 PolarHBondContact O-OG1 3.41Å; I46-T48 VanDerWaalsContact C-N 3.35Å; I46-T48 PolarHBondContact O-N 3.3Å; T48-V50 PolarHBondContact O-N 3.08Å; T48-C51 PolarHBondContact O-N 3.34Å; T48-C52 WeakPolarHBondContact O-CB 3.45Å; T48-C52 PolarHBondContact O-N 3.38Å; T48-C52 PolarHBondContact O-SG 3.36Å; T48-T65 HydrophobicContact CG2-CG2 4.05Å; T48-V66 HydrophobicContact CG2-CG2 3.69Å; T48-L69 WeakPolarHBondContact OG1-CD1 3.31Å |
| 49 | Y | 89.1 | Confident | 81.1 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 10% | 0.098 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 179.1 | 176.7 | -93.8 | 0 | 0 | 0 | 112.8 | A45 I46 V47 W135 F138 T142 W150 L153 V154 | A45-Y49 WeakPolarHBondContact O-CB 3.31Å; A45-Y49 PolarHBondContact O-N 2.93Å; I46-Y49 WeakPolarHBondContact O-CB 3.48Å; I46-Y49 PolarHBondContact O-N 3.03Å; V47-Y49 VanDerWaalsContact C-N 3.33Å; V47-Y49 PolarHBondContact O-N 2.9Å; Y49-W135 HydrophobicContact CD2-CH2 4.35Å; Y49-W135 HydrophobicContact CD2-CZ3 4.23Å; Y49-W135 HydrophobicContact CE2-CZ3 4.47Å; Y49-W135 HydrophobicContact CG-CH2 4.46Å; Y49-F138 AromaticContact CD1-CD2 3.71Å; Y49-F138 HydrophobicContact CD1-CD2 3.71Å; Y49-F138 AromaticContact CD1-CE2 3.69Å; Y49-F138 HydrophobicContact CD1-CE2 3.69Å; Y49-F138 HydrophobicContact CD1-CG 4.15Å; Y49-F138 HydrophobicContact CD1-CZ 4.12Å; Y49-F138 HydrophobicContact CE1-CB 4.04Å; Y49-F138 HydrophobicContact CE1-CD1 4.05Å; Y49-F138 AromaticContact CE1-CD2 3.69Å; Y49-F138 HydrophobicContact CE1-CD2 3.69Å; Y49-F138 HydrophobicContact CE1-CE1 4.41Å; Y49-F138 HydrophobicContact CE1-CE2 4.08Å; Y49-F138 AromaticContact CE1-CG 3.67Å; Y49-F138 HydrophobicContact CE1-CG 3.67Å; Y49-F138 HydrophobicContact CE1-CZ 4.42Å; Y49-T142 WeakPolarHBondContact OH-CG2 3.18Å; Y49-W150 HydrophobicContact CD2-CE3 4.11Å; Y49-W150 HydrophobicContact CD2-CZ3 4.14Å; Y49-W150 AromaticContact CE2-CE3 3.7Å; Y49-W150 HydrophobicContact CE2-CE3 3.7Å; Y49-W150 HydrophobicContact CE2-CZ3 4.19Å; Y49-L153 HydrophobicContact CD2-CD2 3.94Å; Y49-L153 HydrophobicContact CE2-CD2 4.22Å; Y49-V154 HydrophobicContact CE2-CG2 3.8Å; Y49-V154 WeakPolarHBondContact OH-CG2 3.4Å |
| 50 | V | 88 | Confident | 81.1 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 46% | 0.461 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.1 | -46 | 178.9 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | I46 V47 T48 C52 D53 F138 | I46-V50 WeakPolarHBondContact O-CG2 3.24Å; I46-V50 PolarHBondContact O-N 3.03Å; V47-V50 PolarHBondContact O-N 3.42Å; T48-V50 PolarHBondContact O-N 3.08Å; V50-C52 PolarHBondContact O-N 2.82Å; V50-D53 PolarHBondContact O-N 3.29Å; V50-F138 HydrophobicContact CG2-CE1 4.28Å; V50-F138 HydrophobicContact CG2-CZ 3.81Å |
| 51 | C | 84.1 | Confident | 81 | Confident | 42 Ų | 42 | 71.2 Ų | 71.2 | 28% | 0.284 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65 | -26.4 | -179.4 | -73.4 | 0 | 0 | 0 | 0 | 112.6 | V47 T48 D53 W54 F55 | V47-C51 WeakPolarHBondContact O-CB 3.34Å; V47-C51 PolarHBondContact O-N 3.04Å; V47-C51 PolarHBondContact O-SG 2.92Å; T48-C51 PolarHBondContact O-N 3.34Å; C51-D53 VanDerWaalsContact C-N 3.31Å; C51-D53 PolarHBondContact O-N 2.91Å; C51-W54 PolarHBondContact O-N 3.34Å; C51-W54 VanDerWaalsContact O-N 3.1Å; C51-F55 HydrophobicContact CB-CD2 3.84Å; C51-F55 HydrophobicContact CB-CE2 4.18Å; C51-F55 WeakPolarHBondContact O-CB 3.41Å; C51-F55 VanDerWaalsContact O-CD2 3.32Å; C51-F55 WeakPolarHBondContact O-CD2 3.44Å; C51-F55 PolarHBondContact O-N 3.49Å |
| 52 | C | 79.1 | Confident | 81.1 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 19% | 0.189 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.9 | -30.3 | 177.4 | -73.3 | 0 | 0 | 0 | 0 | 114.4 | T48 V50 W54 C62 W150 | T48-C52 WeakPolarHBondContact O-CB 3.45Å; T48-C52 PolarHBondContact O-N 3.38Å; T48-C52 PolarHBondContact O-SG 3.36Å; V50-C52 PolarHBondContact O-N 2.82Å; C52-W54 VanDerWaalsContact C-N 3.26Å; C52-C62 HydrophobicContact CB-CB 3.69Å; C52-C62 WeakPolarHBondContact CB-SG 3.13Å; C52-C62 WeakPolarHBondContact SG-CB 3.36Å; C52-C62 CovalentContact SG-SG 1.98Å; C52-C62 PolarHBondContact SG-SG 2.93Å; C52-W150 HydrophobicContact CB-CH2 3.73Å; C52-W150 HydrophobicContact CB-CZ3 4.41Å |
| 53 | D | 67.4 | Low | 81 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 58% | 0.583 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -70.7 | -28.8 | 173.1 | -155.7 | 67.7 | 0 | 0 | 0 | 110.1 | V50 C51 K147 | V50-D53 PolarHBondContact O-N 3.29Å; C51-D53 VanDerWaalsContact C-N 3.31Å; C51-D53 PolarHBondContact O-N 2.91Å; D53-K147 IonicContact OD1-NZ 3.86Å; D53-K147 PolarHBondContact OD1-NZ 2.93Å; D53-K147 IonicContact OD2-NZ 3.89Å |
| 54 | W | 66.2 | Low | 81.1 | Confident | 215 Ų | 215 | 71.8 Ų | 71.8 | 81% | 0.814 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -89.5 | -36.5 | -176.3 | -153.7 | 11.1 | 0 | 0 | 0 | 114.7 | C51 C52 | C51-W54 PolarHBondContact O-N 3.34Å; C51-W54 VanDerWaalsContact O-N 3.1Å; C52-W54 VanDerWaalsContact C-N 3.26Å |
| 55 | F | 61.2 | Low | 81.1 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 61% | 0.61 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -101 | -0.9 | -171.9 | -70.5 | -74.9 | 0 | 0 | 0 | 115.1 | C51 K57 | C51-F55 HydrophobicContact CB-CD2 3.84Å; C51-F55 HydrophobicContact CB-CE2 4.18Å; C51-F55 WeakPolarHBondContact O-CB 3.41Å; C51-F55 VanDerWaalsContact O-CD2 3.32Å; C51-F55 WeakPolarHBondContact O-CD2 3.44Å; C51-F55 PolarHBondContact O-N 3.49Å; F55-K57 VanDerWaalsContact C-N 3.26Å; F55-K57 PolarHBondContact O-N 3.47Å |
| 56 | G | 56.8 | Low | 81.2 | Confident | 70 Ų | 70 | 73.6 Ų | 73.6 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | trans | 60.8 | 16.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 57 | K | 55.8 | Low | 81.3 | Confident | 182 Ų | 182 | 74.9 Ų | 74.9 | 79% | 0.791 | 41% | 0.413 | S | S | * | . | trans | -93.1 | 118.6 | 178.9 | -70 | 176.8 | -175.2 | 172.2 | 0 | 110.2 | F55 | F55-K57 VanDerWaalsContact C-N 3.26Å; F55-K57 PolarHBondContact O-N 3.47Å | ||
| 58 | S | 75.8 | Confident | 81.4 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | trans | 29.5 | 100.3 | 172.2 | -61.3 | 0 | 0 | 0 | 0 | 115.5 | V60 G61 C62 | S58-V60 PolarHBondContact O-N 3.29Å; S58-G61 WeakPolarHBondContact O-CA 3.31Å; S58-G61 PolarHBondContact O-N 2.92Å; S58-C62 PolarHBondContact O-N 3.5Å; S58-C62 VanDerWaalsContact O-N 3.11Å | ||
| 59 | F | 80.7 | Confident | 81.7 | Confident | 78 Ų | 78 | 75.7 Ų | 75.7 | 34% | 0.342 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -40.3 | -45.2 | 175.3 | 167.5 | -99.7 | 0 | 0 | 0 | 113.4 | C62 F63 K149 W150 | F59-C62 PolarHBondContact O-N 3.39Å; F59-F63 HydrophobicContact CZ-CB 4.43Å; F59-F63 HydrophobicContact CZ-CD2 4.09Å; F59-F63 VanDerWaalsContact O-CB 3.31Å; F59-F63 WeakPolarHBondContact O-CB 3.27Å; F59-F63 PolarHBondContact O-N 2.87Å; F59-K149 HydrophobicContact CE1-CB 4.37Å; F59-K149 HydrophobicContact CE1-CD 4.09Å; F59-K149 HydrophobicContact CE2-CB 3.82Å; F59-K149 HydrophobicContact CE2-CD 4.38Å; F59-K149 HydrophobicContact CZ-CB 3.54Å; F59-K149 HydrophobicContact CZ-CD 4.01Å; F59-K149 HydrophobicContact CZ-CG 4.21Å; F59-W150 AromaticContact CD2-CE2 3.95Å; F59-W150 AromaticContact CD2-CZ2 3.86Å; F59-W150 HydrophobicContact CD2-CZ2 3.86Å; F59-W150 HydrophobicContact CE2-CD2 4.27Å; F59-W150 AromaticContact CE2-CE2 3.84Å; F59-W150 HydrophobicContact CE2-CZ2 4.12Å; F59-W150 AromaticContact CE2-NE1 3.88Å |
| 60 | V | 87.1 | Confident | 82 | Confident | 100 Ų | 100 | 74.6 Ų | 74.6 | 61% | 0.606 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.2 | -45 | 178.8 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | S58 C62 F63 V64 | S58-V60 PolarHBondContact O-N 3.29Å; V60-C62 PolarHBondContact O-N 2.65Å; V60-F63 PolarHBondContact O-N 3.26Å; V60-V64 HydrophobicContact CG1-CG2 4.29Å; V60-V64 WeakPolarHBondContact O-CB 3.19Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 3.24Å; V60-V64 PolarHBondContact O-N 3.39Å |
| 61 | G | 87.8 | Confident | 82.3 | Confident | 34 Ų | 34 | 73.6 Ų | 73.6 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S58 T65 | S58-G61 WeakPolarHBondContact O-CA 3.31Å; S58-G61 PolarHBondContact O-N 2.92Å; G61-T65 WeakPolarHBondContact O-CB 3.3Å; G61-T65 PolarHBondContact O-N 2.7Å; G61-T65 PolarHBondContact O-OG1 2.87Å |
| 62 | C | 88.3 | Confident | 82.8 | Confident | 8 Ų | 8 | 75 Ų | 75 | 5% | 0.054 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61 | -52.1 | 172.8 | 177.8 | 0 | 0 | 0 | 0 | 112 | C52 S58 F59 V60 V64 T65 V66 W150 | C52-C62 HydrophobicContact CB-CB 3.69Å; C52-C62 WeakPolarHBondContact CB-SG 3.13Å; C52-C62 WeakPolarHBondContact SG-CB 3.36Å; C52-C62 CovalentContact SG-SG 1.98Å; C52-C62 PolarHBondContact SG-SG 2.93Å; S58-C62 PolarHBondContact O-N 3.5Å; S58-C62 VanDerWaalsContact O-N 3.11Å; F59-C62 PolarHBondContact O-N 3.39Å; V60-C62 PolarHBondContact O-N 2.65Å; C62-V64 VanDerWaalsContact C-N 3.3Å; C62-V64 PolarHBondContact O-N 2.86Å; C62-T65 PolarHBondContact O-N 2.69Å; C62-T65 VanDerWaalsContact O-N 3.08Å; C62-V66 WeakPolarHBondContact O-CG2 3.37Å; C62-V66 PolarHBondContact O-N 2.98Å; C62-W150 HydrophobicContact CB-CH2 4.28Å; C62-W150 VanDerWaalsContact SG-CH2 3.6Å |
| 63 | F | 89.1 | Confident | 83.5 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 24% | 0.241 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -54.1 | -49.2 | -178 | -179.1 | -83.2 | 0 | 0 | 0 | 111.1 | F59 V60 T65 V66 L67 L153 | F59-F63 HydrophobicContact CZ-CB 4.43Å; F59-F63 HydrophobicContact CZ-CD2 4.09Å; F59-F63 VanDerWaalsContact O-CB 3.31Å; F59-F63 WeakPolarHBondContact O-CB 3.27Å; F59-F63 PolarHBondContact O-N 2.87Å; V60-F63 PolarHBondContact O-N 3.26Å; F63-T65 PolarHBondContact O-N 3.1Å; F63-V66 PolarHBondContact O-N 3.31Å; F63-L67 HydrophobicContact CE1-CD2 4.12Å; F63-L67 VanDerWaalsContact O-CB 3.29Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 PolarHBondContact O-N 2.96Å; F63-L153 HydrophobicContact CD2-CB 4.03Å; F63-L153 HydrophobicContact CD2-CD1 3.93Å; F63-L153 HydrophobicContact CD2-CD2 4.29Å; F63-L153 HydrophobicContact CD2-CG 4.32Å; F63-L153 HydrophobicContact CE2-CB 3.76Å; F63-L153 HydrophobicContact CE2-CD1 3.9Å; F63-L153 HydrophobicContact CE2-CG 4.35Å; F63-L153 HydrophobicContact CG-CD1 4.33Å; F63-L153 HydrophobicContact CZ-CD1 4.26Å |
| 64 | V | 91.6 | Very high | 84.8 | Confident | 83 Ų | 83 | 71 Ų | 71 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | V60 C62 L67 L68 | V60-V64 HydrophobicContact CG1-CG2 4.29Å; V60-V64 WeakPolarHBondContact O-CB 3.19Å; V60-V64 VanDerWaalsContact O-CG2 3.26Å; V60-V64 WeakPolarHBondContact O-CG2 3.24Å; V60-V64 PolarHBondContact O-N 3.39Å; C62-V64 VanDerWaalsContact C-N 3.3Å; C62-V64 PolarHBondContact O-N 2.86Å; V64-L67 PolarHBondContact O-N 2.88Å; V64-L68 VanDerWaalsContact O-CB 3.3Å; V64-L68 WeakPolarHBondContact O-CB 3.25Å; V64-L68 PolarHBondContact O-N 3.08Å |
| 65 | T | 91.9 | Very high | 86.2 | Confident | 64 Ų | 64 | 68 Ų | 68 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.3 | -45.5 | -179.6 | -55.9 | 0 | 0 | 0 | 0 | 111.8 | T48 G61 C62 F63 L68 L69 | T48-T65 HydrophobicContact CG2-CG2 4.05Å; G61-T65 WeakPolarHBondContact O-CB 3.3Å; G61-T65 PolarHBondContact O-N 2.7Å; G61-T65 PolarHBondContact O-OG1 2.87Å; C62-T65 PolarHBondContact O-N 2.69Å; C62-T65 VanDerWaalsContact O-N 3.08Å; F63-T65 PolarHBondContact O-N 3.1Å; T65-L68 PolarHBondContact O-N 3.33Å; T65-L69 HydrophobicContact CG2-CD1 4.19Å; T65-L69 WeakPolarHBondContact O-CG 3.26Å; T65-L69 PolarHBondContact O-N 3.31Å |
| 66 | V | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 177.2 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | T48 C62 F63 L68 L69 L70 W135 L153 | T48-V66 HydrophobicContact CG2-CG2 3.69Å; C62-V66 WeakPolarHBondContact O-CG2 3.37Å; C62-V66 PolarHBondContact O-N 2.98Å; F63-V66 PolarHBondContact O-N 3.31Å; V66-L68 VanDerWaalsContact C-N 3.31Å; V66-L68 PolarHBondContact O-N 2.94Å; V66-L69 PolarHBondContact O-N 3.46Å; V66-L70 HydrophobicContact CG1-CD1 4.03Å; V66-L70 HydrophobicContact CG1-CG 4.4Å; V66-L70 WeakPolarHBondContact O-CB 3.37Å; V66-L70 WeakPolarHBondContact O-CG 3.39Å; V66-L70 PolarHBondContact O-N 2.81Å; V66-W135 HydrophobicContact CG1-CH2 3.9Å; V66-L153 HydrophobicContact CB-CD1 4.19Å; V66-L153 HydrophobicContact CB-CD2 3.93Å; V66-L153 HydrophobicContact CB-CG 4.47Å; V66-L153 HydrophobicContact CG1-CD1 4.06Å; V66-L153 HydrophobicContact CG1-CD2 3.8Å; V66-L153 HydrophobicContact CG1-CG 4.05Å; V66-L153 HydrophobicContact CG2-CD2 4.36Å |
| 67 | L | 93.6 | Very high | 89.4 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 31% | 0.314 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.7 | -39.2 | 177.9 | -172.8 | 64.4 | 0 | 0 | 0 | 112 | F63 V64 L70 S71 L153 A156 | F63-L67 HydrophobicContact CE1-CD2 4.12Å; F63-L67 VanDerWaalsContact O-CB 3.29Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 PolarHBondContact O-N 2.96Å; V64-L67 PolarHBondContact O-N 2.88Å; L67-L70 PolarHBondContact O-N 2.99Å; L67-S71 WeakPolarHBondContact O-CB 3.42Å; L67-S71 PolarHBondContact O-N 3.34Å; L67-S71 PolarHBondContact O-OG 3.45Å; L67-L153 HydrophobicContact CB-CD1 4.18Å; L67-A156 HydrophobicContact CD1-CB 4.38Å |
| 68 | L | 94.4 | Very high | 91.1 | Very high | 102 Ų | 102 | 50.9 Ų | 50.9 | 53% | 0.534 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 174.5 | -177.1 | 71.9 | 0 | 0 | 0 | 111.1 | V64 T65 V66 L70 S71 L72 | V64-L68 VanDerWaalsContact O-CB 3.3Å; V64-L68 WeakPolarHBondContact O-CB 3.25Å; V64-L68 PolarHBondContact O-N 3.08Å; T65-L68 PolarHBondContact O-N 3.33Å; V66-L68 VanDerWaalsContact C-N 3.31Å; V66-L68 PolarHBondContact O-N 2.94Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.47Å; L68-S71 PolarHBondContact O-N 2.83Å; L68-L72 HydrophobicContact CG-CD1 4.19Å; L68-L72 WeakPolarHBondContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.15Å |
| 69 | L | 94.5 | Very high | 91.9 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.131 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -41 | 177.7 | -72.2 | 168.3 | 0 | 0 | 0 | 112 | F41 A45 T48 T65 V66 S71 L72 D73 | F41-L69 HydrophobicContact CD1-CD2 4.46Å; A45-L69 HydrophobicContact CB-CB 3.9Å; T48-L69 WeakPolarHBondContact OG1-CD1 3.31Å; T65-L69 HydrophobicContact CG2-CD1 4.19Å; T65-L69 WeakPolarHBondContact O-CG 3.26Å; T65-L69 PolarHBondContact O-N 3.31Å; V66-L69 PolarHBondContact O-N 3.46Å; L69-S71 VanDerWaalsContact C-N 3.34Å; L69-L72 PolarHBondContact O-N 3.49Å; L69-D73 WeakPolarHBondContact O-CB 3.39Å; L69-D73 PolarHBondContact O-N 3.11Å |
| 70 | L | 94.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 173.5 | -79.2 | 171.5 | 0 | 0 | 0 | 112.3 | V66 L67 L68 D73 F74 W135 L160 | V66-L70 HydrophobicContact CG1-CD1 4.03Å; V66-L70 HydrophobicContact CG1-CG 4.4Å; V66-L70 WeakPolarHBondContact O-CB 3.37Å; V66-L70 WeakPolarHBondContact O-CG 3.39Å; V66-L70 PolarHBondContact O-N 2.81Å; L67-L70 PolarHBondContact O-N 2.99Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.47Å; L70-D73 PolarHBondContact O-N 3.31Å; L70-F74 VanDerWaalsContact O-CB 3.31Å; L70-F74 WeakPolarHBondContact O-CB 3.43Å; L70-F74 PolarHBondContact O-N 3.47Å; L70-W135 HydrophobicContact CD1-CH2 3.94Å; L70-W135 HydrophobicContact CD1-CZ2 4.08Å; L70-W135 HydrophobicContact CD2-CH2 4.26Å; L70-W135 HydrophobicContact CD2-CZ2 3.54Å; L70-W135 HydrophobicContact CG-CH2 4.38Å; L70-W135 HydrophobicContact CG-CZ2 4.06Å; L70-L160 HydrophobicContact CB-CD1 4.04Å |
| 71 | S | 95.4 | Very high | 92.6 | Very high | 55 Ų | 55 | 42.9 Ų | 42.9 | 39% | 0.385 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.7 | -40.6 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 111.8 | L67 L68 L69 F74 W75 | L67-S71 WeakPolarHBondContact O-CB 3.42Å; L67-S71 PolarHBondContact O-N 3.34Å; L67-S71 PolarHBondContact O-OG 3.45Å; L68-S71 PolarHBondContact O-N 2.83Å; L69-S71 VanDerWaalsContact C-N 3.34Å; S71-F74 PolarHBondContact O-N 3.13Å; S71-W75 WeakPolarHBondContact O-CB 3.46Å; S71-W75 PolarHBondContact O-N 3.01Å |
| 72 | L | 94.7 | Very high | 92.6 | Very high | 71 Ų | 71 | 41.2 Ų | 41.2 | 37% | 0.372 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66 | -42 | 174.4 | -71 | 173.9 | 0 | 0 | 0 | 111.6 | F41 L68 L69 W75 S76 | F41-L72 HydrophobicContact CD1-CB 4.17Å; F41-L72 HydrophobicContact CE1-CB 4.27Å; F41-L72 HydrophobicContact CE1-CD1 4.24Å; L68-L72 HydrophobicContact CG-CD1 4.19Å; L68-L72 WeakPolarHBondContact O-CB 3.28Å; L68-L72 WeakPolarHBondContact O-CG 3.49Å; L68-L72 PolarHBondContact O-N 3.15Å; L69-L72 PolarHBondContact O-N 3.49Å; L72-W75 PolarHBondContact O-N 3.21Å; L72-S76 WeakPolarHBondContact O-CB 3.29Å; L72-S76 PolarHBondContact O-N 3.43Å |
| 73 | D | 93.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -51 | 172 | -178.4 | 54.6 | 0 | 0 | 0 | 110.3 | F41 R42 L69 L70 W75 S76 V77 Q161 | F41-D73 HydrophobicContact CB-CB 3.93Å; R42-D73 VanDerWaalsContact CG-CG 3.49Å; R42-D73 WeakPolarHBondContact CG-OD1 3.47Å; R42-D73 IonicContact CZ-OD2 2.83Å; R42-D73 IonicContact NE-OD1 3.53Å; R42-D73 PolarHBondContact NE-OD1 2.85Å; R42-D73 VanDerWaalsContact NE-OD1 3.15Å; R42-D73 IonicContact NE-OD2 3.3Å; R42-D73 IonicContact NH2-OD2 2.72Å; L69-D73 WeakPolarHBondContact O-CB 3.39Å; L69-D73 PolarHBondContact O-N 3.11Å; L70-D73 PolarHBondContact O-N 3.31Å; D73-W75 VanDerWaalsContact C-N 3.3Å; D73-W75 PolarHBondContact O-N 3.02Å; D73-S76 PolarHBondContact O-N 2.88Å; D73-V77 VanDerWaalsContact O-CB 3.3Å; D73-V77 WeakPolarHBondContact O-CB 3.15Å; D73-V77 WeakPolarHBondContact O-CG2 3.35Å; D73-V77 PolarHBondContact O-N 3.38Å; D73-V77 WeakPolarHBondContact OD1-CG2 3.35Å; D73-Q161 PolarHBondContact OD2-NE2 3.23Å; D73-Q161 PolarHBondContact OD2-OE1 3.09Å |
| 74 | F | 94.5 | Very high | 92.5 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 23% | 0.228 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.3 | -49.1 | 178.2 | 176.5 | -95.8 | 0 | 0 | 0 | 111.5 | L70 S71 K78 L160 A163 N164 | L70-F74 VanDerWaalsContact O-CB 3.31Å; L70-F74 WeakPolarHBondContact O-CB 3.43Å; L70-F74 PolarHBondContact O-N 3.47Å; S71-F74 PolarHBondContact O-N 3.13Å; F74-K78 WeakPolarHBondContact O-CB 3.29Å; F74-K78 PolarHBondContact O-N 2.88Å; F74-L160 HydrophobicContact CB-CB 4.37Å; F74-L160 HydrophobicContact CB-CD2 4.28Å; F74-L160 HydrophobicContact CD1-CD2 4.37Å; F74-L160 HydrophobicContact CD2-CB 3.99Å; F74-L160 HydrophobicContact CD2-CD2 3.88Å; F74-L160 VanDerWaalsContact CD2-O 3.29Å; F74-L160 WeakPolarHBondContact CD2-O 3.21Å; F74-L160 HydrophobicContact CE2-CD2 4.34Å; F74-L160 HydrophobicContact CG-CB 4.44Å; F74-L160 HydrophobicContact CG-CD2 3.9Å; F74-A163 HydrophobicContact CE2-CB 4.14Å; F74-N164 WeakPolarHBondContact CD2-ND2 3.41Å; F74-N164 PolarHBondContact O-ND2 3.27Å |
| 75 | W | 94.8 | Very high | 92.2 | Very high | 151 Ų | 151 | 43.8 Ų | 43.8 | 57% | 0.572 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -66.3 | -43.6 | 179.9 | -178.2 | 91.4 | 0 | 0 | 0 | 112.6 | S71 L72 D73 K78 N79 V80 | S71-W75 WeakPolarHBondContact O-CB 3.46Å; S71-W75 PolarHBondContact O-N 3.01Å; L72-W75 PolarHBondContact O-N 3.21Å; D73-W75 VanDerWaalsContact C-N 3.3Å; D73-W75 PolarHBondContact O-N 3.02Å; W75-K78 PolarHBondContact O-N 3.37Å; W75-N79 HydrophobicContact CD2-CB 4.49Å; W75-N79 HydrophobicContact CZ2-CB 4.39Å; W75-N79 PolarHBondContact NE1-ND2 3.03Å; W75-N79 WeakPolarHBondContact O-CB 3.36Å; W75-N79 PolarHBondContact O-N 3.33Å; W75-N79 PolarHBondContact O-ND2 3.01Å; W75-N79 VanDerWaalsContact O-ND2 3.12Å; W75-V80 HydrophobicContact CE3-CG2 4.45Å; W75-V80 HydrophobicContact CH2-CG2 4.05Å; W75-V80 HydrophobicContact CZ3-CG2 3.74Å |
| 76 | S | 92.9 | Very high | 92 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 179.2 | -180 | 0 | 0 | 0 | 0 | 111.4 | L72 D73 V80 T81 | L72-S76 WeakPolarHBondContact O-CB 3.29Å; L72-S76 PolarHBondContact O-N 3.43Å; D73-S76 PolarHBondContact O-N 2.88Å; S76-V80 CarbonylContact O-C 3.59Å; S76-V80 WeakPolarHBondContact O-CA 3.29Å; S76-V80 WeakPolarHBondContact O-CB 3.32Å; S76-V80 PolarHBondContact O-N 3.46Å; S76-T81 PolarHBondContact O-N 2.89Å; S76-T81 PolarHBondContact O-OG1 3.25Å |
| 77 | V | 93 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -58.2 | -55.5 | 173.7 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | R42 D73 N79 T81 G82 F124 L128 N164 Y168 | R42-V77 VanDerWaalsContact NH2-CG2 3.29Å; D73-V77 VanDerWaalsContact O-CB 3.3Å; D73-V77 WeakPolarHBondContact O-CB 3.15Å; D73-V77 WeakPolarHBondContact O-CG2 3.35Å; D73-V77 PolarHBondContact O-N 3.38Å; D73-V77 WeakPolarHBondContact OD1-CG2 3.35Å; V77-N79 PolarHBondContact O-N 3.46Å; V77-T81 VanDerWaalsContact CA-OG1 3.24Å; V77-T81 WeakPolarHBondContact CA-OG1 3.19Å; V77-G82 PolarHBondContact O-N 3.22Å; V77-F124 HydrophobicContact CG1-CE2 4.24Å; V77-F124 HydrophobicContact CG1-CZ 4.46Å; V77-L128 HydrophobicContact CG1-CD1 4.06Å; V77-N164 HydrophobicContact CG1-CB 4.05Å; V77-Y168 HydrophobicContact CG1-CE2 3.84Å; V77-Y168 PolarHBondContact O-OH 3.12Å |
| 78 | K | 92.2 | Very high | 91.5 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -58.6 | -47.3 | -178 | -179 | 60.9 | 144.5 | 149 | 0 | 114.4 | F74 W75 W90 Y168 | F74-K78 WeakPolarHBondContact O-CB 3.29Å; F74-K78 PolarHBondContact O-N 2.88Å; W75-K78 PolarHBondContact O-N 3.37Å; K78-W90 HydrophobicContact CD-CD2 4.21Å; K78-W90 VanDerWaalsContact CD-CE2 3.47Å; K78-W90 HydrophobicContact CD-CH2 4.31Å; K78-W90 HydrophobicContact CD-CZ2 3.54Å; K78-W90 VanDerWaalsContact NZ-CG 3.33Å; K78-W90 VanDerWaalsContact NZ-CZ3 3.28Å; K78-W90 PolarHBondContact NZ-O 3Å; K78-Y168 WeakPolarHBondContact CA-OH 3.41Å; K78-Y168 PolarHBondContact O-OH 3.32Å; K78-Y168 VanDerWaalsContact O-OH 3.09Å |
| 79 | N | 92.1 | Very high | 91.3 | Very high | 58 Ų | 58 | 38.5 Ų | 38.5 | 31% | 0.31 | 19% | 0.186 | S | C | . | . | I | π-helix | trans | -106.7 | -30.8 | -165.3 | -66.5 | -69.4 | 0 | 0 | 0 | 114.4 | W75 V77 R83 | W75-N79 HydrophobicContact CD2-CB 4.49Å; W75-N79 HydrophobicContact CZ2-CB 4.39Å; W75-N79 PolarHBondContact NE1-ND2 3.03Å; W75-N79 WeakPolarHBondContact O-CB 3.36Å; W75-N79 PolarHBondContact O-N 3.33Å; W75-N79 PolarHBondContact O-ND2 3.01Å; W75-N79 VanDerWaalsContact O-ND2 3.12Å; V77-N79 PolarHBondContact O-N 3.46Å; N79-R83 VanDerWaalsContact O-CD 3.26Å; N79-R83 WeakPolarHBondContact O-CD 3.44Å; N79-R83 WeakPolarHBondContact O-CG 3.07Å |
| 80 | V | 90.9 | Very high | 91.1 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 29% | 0.285 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -105.9 | -67 | -172.9 | -177 | 0 | 0 | 0 | 0 | 109.8 | W75 S76 G82 R83 L84 | W75-V80 HydrophobicContact CE3-CG2 4.45Å; W75-V80 HydrophobicContact CH2-CG2 4.05Å; W75-V80 HydrophobicContact CZ3-CG2 3.74Å; S76-V80 CarbonylContact O-C 3.59Å; S76-V80 WeakPolarHBondContact O-CA 3.29Å; S76-V80 WeakPolarHBondContact O-CB 3.32Å; S76-V80 PolarHBondContact O-N 3.46Å; V80-G82 PolarHBondContact O-N 3.36Å; V80-R83 PolarHBondContact O-N 2.82Å; V80-L84 HydrophobicContact CG1-CD1 3.82Å; V80-L84 WeakPolarHBondContact O-CB 3.42Å; V80-L84 WeakPolarHBondContact O-CG 3.29Å; V80-L84 PolarHBondContact O-N 3.15Å |
| 81 | T | 90.7 | Very high | 91 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -73.8 | -33.4 | -168.5 | 64.2 | 0 | 0 | 0 | 0 | 112 | A34 H38 S76 V77 R83 L84 L85 | A34-T81 WeakPolarHBondContact O-CG2 3.4Å; H38-T81 HydrophobicContact CB-CG2 3.73Å; H38-T81 PolarHBondContact ND1-OG1 2.77Å; S76-T81 PolarHBondContact O-N 2.89Å; S76-T81 PolarHBondContact O-OG1 3.25Å; V77-T81 VanDerWaalsContact CA-OG1 3.24Å; V77-T81 WeakPolarHBondContact CA-OG1 3.19Å; T81-R83 VanDerWaalsContact C-N 3.31Å; T81-R83 PolarHBondContact O-N 3.43Å; T81-L84 PolarHBondContact O-N 3.34Å; T81-L85 HydrophobicContact CG2-CD1 4.37Å; T81-L85 VanDerWaalsContact O-CB 3.24Å; T81-L85 WeakPolarHBondContact O-CB 3.37Å; T81-L85 WeakPolarHBondContact O-CG 3.42Å; T81-L85 PolarHBondContact O-N 2.91Å |
| 82 | G | 89.4 | Confident | 90.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V77 V80 V86 G87 L88 | V77-G82 PolarHBondContact O-N 3.22Å; V80-G82 PolarHBondContact O-N 3.36Å; G82-V86 WeakPolarHBondContact O-CG2 3.32Å; G82-G87 PolarHBondContact O-N 3.44Å; G82-L88 CarbonylContact C-O 3.3Å; G82-L88 VanDerWaalsContact C-O 3.3Å; G82-L88 PolarHBondContact O-N 3.45Å |
| 83 | R | 89 | Confident | 90.5 | Very high | 122 Ų | 122 | 42.7 Ų | 42.7 | 46% | 0.46 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -78.1 | -37 | 179.4 | -62.6 | -172.2 | -173 | -166.1 | 4.2 | 112.9 | N79 V80 T81 G87 | N79-R83 VanDerWaalsContact O-CD 3.26Å; N79-R83 WeakPolarHBondContact O-CD 3.44Å; N79-R83 WeakPolarHBondContact O-CG 3.07Å; V80-R83 PolarHBondContact O-N 2.82Å; T81-R83 VanDerWaalsContact C-N 3.31Å; T81-R83 PolarHBondContact O-N 3.43Å; R83-G87 VanDerWaalsContact O-CA 3.32Å; R83-G87 WeakPolarHBondContact O-CA 3.26Å; R83-G87 PolarHBondContact O-N 3.3Å |
| 84 | L | 86.4 | Confident | 90.3 | Very high | 77 Ų | 77 | 48 Ų | 48 | 40% | 0.403 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -85.5 | -44 | -174.9 | -67.5 | 177.4 | 0 | 0 | 0 | 113.1 | A34 V80 T81 | A34-L84 HydrophobicContact CB-CB 4.35Å; A34-L84 HydrophobicContact CB-CD1 3.85Å; V80-L84 HydrophobicContact CG1-CD1 3.82Å; V80-L84 WeakPolarHBondContact O-CB 3.42Å; V80-L84 WeakPolarHBondContact O-CG 3.29Å; V80-L84 PolarHBondContact O-N 3.15Å; T81-L84 PolarHBondContact O-N 3.34Å |
| 85 | L | 85.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -86.3 | -38.2 | -172.7 | -56.3 | 179 | 0 | 0 | 0 | 112.6 | H31 A34 T35 H38 T81 E120 F124 | H31-L85 HydrophobicContact CB-CD2 4.33Å; A34-L85 HydrophobicContact CB-CD2 4.18Å; T35-L85 VanDerWaalsContact OG1-CD2 3.29Å; T35-L85 WeakPolarHBondContact OG1-CD2 3.44Å; H38-L85 HydrophobicContact CB-CD1 4.38Å; T81-L85 HydrophobicContact CG2-CD1 4.37Å; T81-L85 VanDerWaalsContact O-CB 3.24Å; T81-L85 WeakPolarHBondContact O-CB 3.37Å; T81-L85 WeakPolarHBondContact O-CG 3.42Å; T81-L85 PolarHBondContact O-N 2.91Å; L85-E120 HydrophobicContact CB-CB 4.3Å; L85-E120 HydrophobicContact CD2-CB 3.92Å; L85-E120 HydrophobicContact CD2-CG 4.14Å; L85-F124 HydrophobicContact CB-CB 4.12Å; L85-F124 HydrophobicContact CB-CD2 4.43Å; L85-F124 HydrophobicContact CD1-CB 4.11Å; L85-F124 HydrophobicContact CD1-CD2 4.17Å |
| 86 | V | 87.1 | Confident | 89.9 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.115 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -119.7 | -8.8 | -177.8 | -66.6 | 0 | 0 | 0 | 0 | 114.1 | G82 L88 A121 F124 | G82-V86 WeakPolarHBondContact O-CG2 3.32Å; V86-L88 HydrophobicContact CB-CD1 4.21Å; V86-L88 HydrophobicContact CB-CG 3.99Å; V86-L88 HydrophobicContact CG2-CB 3.89Å; V86-L88 HydrophobicContact CG2-CD1 3.91Å; V86-L88 HydrophobicContact CG2-CG 3.71Å; V86-L88 PolarHBondContact O-N 3.35Å; V86-A121 HydrophobicContact CG1-CB 3.81Å; V86-F124 HydrophobicContact CB-CD1 4.26Å; V86-F124 HydrophobicContact CB-CE1 4.49Å; V86-F124 HydrophobicContact CG1-CB 3.93Å; V86-F124 HydrophobicContact CG1-CD1 3.41Å; V86-F124 VanDerWaalsContact CG1-CD1 3.41Å; V86-F124 HydrophobicContact CG1-CE1 4.08Å; V86-F124 HydrophobicContact CG1-CG 3.77Å; V86-F124 HydrophobicContact CG2-CD1 3.79Å; V86-F124 HydrophobicContact CG2-CE1 3.6Å; V86-F124 HydrophobicContact CG2-CE2 4.37Å; V86-F124 HydrophobicContact CG2-CG 4.25Å; V86-F124 HydrophobicContact CG2-CZ 3.91Å |
| 87 | G | 86.4 | Confident | 89.8 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | trans | 65.4 | 22.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | G82 R83 R107 | G82-G87 PolarHBondContact O-N 3.44Å; R83-G87 VanDerWaalsContact O-CA 3.32Å; R83-G87 WeakPolarHBondContact O-CA 3.26Å; R83-G87 PolarHBondContact O-N 3.3Å; G87-R107 WeakPolarHBondContact O-CB 3.26Å; G87-R107 PolarHBondContact O-N 3.34Å | ||
| 88 | L | 89.2 | Confident | 89.5 | Confident | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.073 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 142.7 | -178.3 | -57 | -177.6 | 0 | 0 | 0 | 110.9 | G82 V86 E105 A106 W125 Y168 C171 | G82-L88 CarbonylContact C-O 3.3Å; G82-L88 VanDerWaalsContact C-O 3.3Å; G82-L88 PolarHBondContact O-N 3.45Å; V86-L88 HydrophobicContact CB-CD1 4.21Å; V86-L88 HydrophobicContact CB-CG 3.99Å; V86-L88 HydrophobicContact CG2-CB 3.89Å; V86-L88 HydrophobicContact CG2-CD1 3.91Å; V86-L88 HydrophobicContact CG2-CG 3.71Å; V86-L88 PolarHBondContact O-N 3.35Å; L88-E105 WeakPolarHBondContact CA-O 3.16Å; L88-A106 HydrophobicContact CD2-CB 3.49Å; L88-A106 VanDerWaalsContact CD2-CB 3.49Å; L88-W125 HydrophobicContact CD1-CH2 4.29Å; L88-W125 HydrophobicContact CD1-CZ2 3.71Å; L88-Y168 HydrophobicContact CB-CD1 3.69Å; L88-Y168 HydrophobicContact CB-CE1 3.86Å; L88-Y168 HydrophobicContact CD1-CD1 4.01Å; L88-Y168 HydrophobicContact CG-CD1 4.49Å; L88-C171 HydrophobicContact CB-CB 4.06Å; L88-C171 HydrophobicContact CD1-CB 4Å; L88-C171 HydrophobicContact CD2-CB 4.11Å; L88-C171 HydrophobicContact CG-CB 4.27Å |
| 89 | R | 89.8 | Confident | 89.4 | Confident | 67 Ų | 67 | 65 Ų | 65 | 25% | 0.253 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 130.6 | 177.8 | -170.2 | 176.9 | 70.4 | 109.8 | -15 | 110.2 | W91 E105 C171 | R89-W91 HydrophobicContact CB-CZ3 4.22Å; R89-W91 HydrophobicContact CG-CE3 3.74Å; R89-W91 HydrophobicContact CG-CZ3 3.82Å; R89-W91 VanDerWaalsContact NH1-CD2 3.33Å; R89-W91 VanDerWaalsContact NH1-CZ3 3.27Å; R89-W91 VanDerWaalsContact NH2-CZ3 3.33Å; R89-E105 HydrophobicContact CB-CB 4.3Å; R89-E105 IonicContact CZ-OE1 3.44Å; R89-E105 IonicContact CZ-OE2 2.99Å; R89-E105 PolarHBondContact N-O 2.84Å; R89-E105 IonicContact NE-OE2 3.89Å; R89-E105 PolarHBondContact NE-OE2 2.96Å; R89-E105 IonicContact NH2-OE1 3.03Å; R89-E105 PolarHBondContact NH2-OE1 3.27Å; R89-E105 IonicContact NH2-OE2 3.72Å; R89-E105 PolarHBondContact NH2-OE2 3.43Å; R89-E105 PolarHBondContact O-N 2.89Å; R89-C171 PolarHBondContact O-SG 3.45Å; R89-C171 VanDerWaalsContact O-SG 3.38Å |
| 90 | W | 91.6 | Very high | 89.2 | Confident | 27 Ų | 27 | 65.7 Ų | 65.7 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.3 | 170.7 | 62.3 | -76.9 | 0 | 0 | 0 | 110.1 | K78 W102 I103 F104 Y168 | K78-W90 HydrophobicContact CD-CD2 4.21Å; K78-W90 VanDerWaalsContact CD-CE2 3.47Å; K78-W90 HydrophobicContact CD-CH2 4.31Å; K78-W90 HydrophobicContact CD-CZ2 3.54Å; K78-W90 VanDerWaalsContact NZ-CG 3.33Å; K78-W90 VanDerWaalsContact NZ-CZ3 3.28Å; K78-W90 PolarHBondContact NZ-O 3Å; W90-W102 HydrophobicContact CE3-CE3 4.07Å; W90-W102 AromaticContact CE3-CZ3 3.57Å; W90-W102 HydrophobicContact CE3-CZ3 3.57Å; W90-W102 HydrophobicContact CZ3-CE3 4.39Å; W90-W102 HydrophobicContact CZ3-CH2 4.1Å; W90-W102 AromaticContact CZ3-CZ3 3.47Å; W90-W102 HydrophobicContact CZ3-CZ3 3.47Å; W90-W102 VanDerWaalsContact CZ3-CZ3 3.47Å; W90-I103 VanDerWaalsContact CA-O 3.27Å; W90-I103 WeakPolarHBondContact CA-O 3.45Å; W90-F104 HydrophobicContact CB-CD1 3.59Å; W90-F104 HydrophobicContact CB-CE1 3.8Å; W90-Y168 AromaticContact NE1-CE2 3.71Å; W90-Y168 AromaticContact NE1-CZ 3.84Å |
| 91 | W | 91.6 | Very high | 89 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 24% | 0.235 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 164.8 | 169.9 | 65.1 | 98.1 | 0 | 0 | 0 | 109.8 | R89 I103 E105 | R89-W91 HydrophobicContact CB-CZ3 4.22Å; R89-W91 HydrophobicContact CG-CE3 3.74Å; R89-W91 HydrophobicContact CG-CZ3 3.82Å; R89-W91 VanDerWaalsContact NH1-CD2 3.33Å; R89-W91 VanDerWaalsContact NH1-CZ3 3.27Å; R89-W91 VanDerWaalsContact NH2-CZ3 3.33Å; W91-I103 HydrophobicContact CD2-CB 4.08Å; W91-I103 HydrophobicContact CE3-CB 4.38Å; W91-I103 HydrophobicContact CH2-CB 3.68Å; W91-I103 HydrophobicContact CH2-CG2 3.21Å; W91-I103 HydrophobicContact CZ2-CB 3.46Å; W91-I103 VanDerWaalsContact CZ2-CB 3.46Å; W91-I103 HydrophobicContact CZ2-CG1 3.98Å; W91-I103 HydrophobicContact CZ2-CG2 3.3Å; W91-I103 HydrophobicContact CZ3-CB 4.17Å; W91-I103 HydrophobicContact CZ3-CG2 3.99Å; W91-I103 PolarHBondContact N-O 3.4Å; W91-I103 VanDerWaalsContact N-O 3.11Å; W91-I103 PolarHBondContact O-N 2.88Å; W91-E105 HydrophobicContact CH2-CG 3.57Å; W91-E105 WeakPolarHBondContact CH2-OE1 3.38Å; W91-E105 HydrophobicContact CZ3-CB 4.25Å; W91-E105 HydrophobicContact CZ3-CG 3.79Å |
| 92 | N | 91.3 | Very high | 88.8 | Confident | 54 Ų | 54 | 73.6 Ų | 73.6 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 125 | 174.4 | -174.8 | 77.4 | 0 | 0 | 0 | 108.8 | I94 S100 W102 | N92-I94 WeakPolarHBondContact ND2-CD1 3.26Å; N92-S100 WeakPolarHBondContact OD1-CB 3.05Å; N92-W102 HydrophobicContact CB-CD2 4.28Å; N92-W102 HydrophobicContact CB-CE3 3.95Å; N92-W102 HydrophobicContact CB-CH2 4.03Å; N92-W102 HydrophobicContact CB-CZ2 4.34Å; N92-W102 HydrophobicContact CB-CZ3 3.78Å |
| 93 | Q | 89.2 | Confident | 88.7 | Confident | 99 Ų | 99 | 76.3 Ų | 76.3 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 135.4 | 170.8 | -171.8 | 167.1 | 14.6 | 0 | 0 | 108.2 | S100 H101 I103 | Q93-S100 CarbonylContact O-C 3.6Å; Q93-H101 HydrophobicContact CB-CB 4.46Å; Q93-H101 PolarHBondContact N-O 3.48Å; Q93-H101 PolarHBondContact O-N 3.15Å; Q93-I103 HydrophobicContact CB-CG1 4.4Å |
| 94 | I | 89.3 | Confident | 88.6 | Confident | 112 Ų | 112 | 73.6 Ų | 73.6 | 57% | 0.574 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 124.4 | 173.1 | -60.6 | 97.7 | 0 | 0 | 0 | 106.8 | N92 K99 | N92-I94 WeakPolarHBondContact ND2-CD1 3.26Å; I94-K99 WeakPolarHBondContact CA-O 3.34Å |
| 95 | D | 90.3 | Very high | 88.4 | Confident | 63 Ų | 63 | 74 Ų | 74 | 34% | 0.337 | 37% | 0.371 | S | S | . | . | trans | -77.7 | 168.5 | 177.4 | -72 | 2.5 | 0 | 0 | 0 | 110.8 | D97 G98 K99 H101 | D95-D97 PolarHBondContact O-N 3.3Å; D95-D97 VanDerWaalsContact O-N 3.15Å; D95-G98 WeakPolarHBondContact O-CA 3.31Å; D95-G98 PolarHBondContact O-N 2.93Å; D95-K99 PolarHBondContact N-O 2.86Å; D95-H101 IonicContact OD1-CD2 3.34Å; D95-H101 PolarHBondContact OD1-CD2 3.23Å; D95-H101 IonicContact OD2-CD2 3.38Å; D95-H101 PolarHBondContact OD2-CD2 2.78Å; D95-H101 IonicContact OD2-CE1 3.91Å; D95-H101 IonicContact OD2-CG 3.85Å; D95-H101 IonicContact OD2-NE2 2.67Å; D95-H101 PolarHBondContact OD2-NE2 3.48Å | ||
| 96 | E | 91.1 | Very high | 88.3 | Confident | 205 Ų | 205 | 76.3 Ų | 76.3 | 96% | 0.958 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -26.7 | 177.9 | -61.7 | -165.8 | 162.7 | 0 | 0 | 112.6 | G98 | E96-G98 PolarHBondContact O-N 3.28Š|
| 97 | D | 89.6 | Confident | 87.8 | Confident | 135 Ų | 135 | 84.7 Ų | 84.7 | 72% | 0.722 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 1.8 | 173.8 | -64.4 | -34.8 | 0 | 0 | 0 | 113.8 | D95 K99 | D95-D97 PolarHBondContact O-N 3.3Å; D95-D97 VanDerWaalsContact O-N 3.15Å; D97-K99 HydrophobicContact CB-CG 4.35Å; D97-K99 PolarHBondContact O-N 3.45Å |
| 98 | G | 88.1 | Confident | 86.8 | Confident | 57 Ų | 57 | 91.9 Ų | 91.9 | 59% | 0.588 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 73.7 | 8.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D95 E96 | D95-G98 WeakPolarHBondContact O-CA 3.31Å; D95-G98 PolarHBondContact O-N 2.93Å; E96-G98 PolarHBondContact O-N 3.28Å |
| 99 | K | 89.9 | Confident | 85.6 | Confident | 131 Ų | 131 | 94.5 Ų | 94.5 | 57% | 0.57 | 46% | 0.463 | S | S | * | . | trans | -79.3 | 136.9 | 177.8 | -68.6 | -178 | -179 | 168.9 | 0 | 110.8 | I94 D95 D97 H101 | I94-K99 WeakPolarHBondContact CA-O 3.34Å; D95-K99 PolarHBondContact N-O 2.86Å; D97-K99 HydrophobicContact CB-CG 4.35Å; D97-K99 PolarHBondContact O-N 3.45Å; K99-H101 PolarHBondContact O-CD2 3.45Å | ||
| 100 | S | 88 | Confident | 84.1 | Confident | 73 Ų | 73 | 94.4 Ų | 94.4 | 51% | 0.51 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 119.7 | -179.9 | 62.4 | 0 | 0 | 0 | 0 | 111.5 | N92 Q93 | N92-S100 WeakPolarHBondContact OD1-CB 3.05Å; Q93-S100 CarbonylContact O-C 3.6Å |
| 101 | H | 86.6 | Confident | 82.4 | Confident | 79 Ų | 79 | 98 Ų | 98 | 37% | 0.366 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 113.9 | 177.9 | -69.9 | -89.9 | 0 | 0 | 0 | 109.9 | Q93 D95 K99 I103 | Q93-H101 HydrophobicContact CB-CB 4.46Å; Q93-H101 PolarHBondContact N-O 3.48Å; Q93-H101 PolarHBondContact O-N 3.15Å; D95-H101 IonicContact OD1-CD2 3.34Å; D95-H101 PolarHBondContact OD1-CD2 3.23Å; D95-H101 IonicContact OD2-CD2 3.38Å; D95-H101 PolarHBondContact OD2-CD2 2.78Å; D95-H101 IonicContact OD2-CE1 3.91Å; D95-H101 IonicContact OD2-CG 3.85Å; D95-H101 IonicContact OD2-NE2 2.67Å; D95-H101 PolarHBondContact OD2-NE2 3.48Å; K99-H101 PolarHBondContact O-CD2 3.45Å; H101-I103 HydrophobicContact CB-CD1 4.48Å; H101-I103 PolarHBondContact O-N 3.42Å |
| 102 | W | 86.4 | Confident | 80.7 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 51% | 0.511 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 114.7 | 176.5 | -69.4 | 93.9 | 0 | 0 | 0 | 110.2 | W90 N92 F104 | W90-W102 HydrophobicContact CE3-CE3 4.07Å; W90-W102 AromaticContact CE3-CZ3 3.57Å; W90-W102 HydrophobicContact CE3-CZ3 3.57Å; W90-W102 HydrophobicContact CZ3-CE3 4.39Å; W90-W102 HydrophobicContact CZ3-CH2 4.1Å; W90-W102 AromaticContact CZ3-CZ3 3.47Å; W90-W102 HydrophobicContact CZ3-CZ3 3.47Å; W90-W102 VanDerWaalsContact CZ3-CZ3 3.47Å; N92-W102 HydrophobicContact CB-CD2 4.28Å; N92-W102 HydrophobicContact CB-CE3 3.95Å; N92-W102 HydrophobicContact CB-CH2 4.03Å; N92-W102 HydrophobicContact CB-CZ2 4.34Å; N92-W102 HydrophobicContact CB-CZ3 3.78Å; W102-F104 HydrophobicContact CB-CD2 4.36Å; W102-F104 HydrophobicContact CB-CE2 3.43Å; W102-F104 VanDerWaalsContact CB-CE2 3.43Å; W102-F104 HydrophobicContact CB-CZ 3.66Å; W102-F104 HydrophobicContact CG-CE2 4.48Å; W102-F104 HydrophobicContact CG-CZ 4.33Å |
| 103 | I | 85.7 | Confident | 79.1 | Confident | 56 Ų | 56 | 102.5 Ų | 102.5 | 29% | 0.287 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129 | 178.5 | -46.5 | -61.9 | 0 | 0 | 0 | 109.2 | W90 W91 Q93 H101 | W90-I103 VanDerWaalsContact CA-O 3.27Å; W90-I103 WeakPolarHBondContact CA-O 3.45Å; W91-I103 HydrophobicContact CD2-CB 4.08Å; W91-I103 HydrophobicContact CE3-CB 4.38Å; W91-I103 HydrophobicContact CH2-CB 3.68Å; W91-I103 HydrophobicContact CH2-CG2 3.21Å; W91-I103 HydrophobicContact CZ2-CB 3.46Å; W91-I103 VanDerWaalsContact CZ2-CB 3.46Å; W91-I103 HydrophobicContact CZ2-CG1 3.98Å; W91-I103 HydrophobicContact CZ2-CG2 3.3Å; W91-I103 HydrophobicContact CZ3-CB 4.17Å; W91-I103 HydrophobicContact CZ3-CG2 3.99Å; W91-I103 PolarHBondContact N-O 3.4Å; W91-I103 VanDerWaalsContact N-O 3.11Å; W91-I103 PolarHBondContact O-N 2.88Å; Q93-I103 HydrophobicContact CB-CG1 4.4Å; H101-I103 HydrophobicContact CB-CD1 4.48Å; H101-I103 PolarHBondContact O-N 3.42Å |
| 104 | F | 87.1 | Confident | 77.8 | Confident | 66 Ų | 66 | 102.4 Ų | 102.4 | 29% | 0.289 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 113.2 | -179.6 | -58.1 | -83 | 0 | 0 | 0 | 109.6 | W90 W102 L170 | W90-F104 HydrophobicContact CB-CD1 3.59Å; W90-F104 HydrophobicContact CB-CE1 3.8Å; W102-F104 HydrophobicContact CB-CD2 4.36Å; W102-F104 HydrophobicContact CB-CE2 3.43Å; W102-F104 VanDerWaalsContact CB-CE2 3.43Å; W102-F104 HydrophobicContact CB-CZ 3.66Å; W102-F104 HydrophobicContact CG-CE2 4.48Å; W102-F104 HydrophobicContact CG-CZ 4.33Å; F104-L170 HydrophobicContact CD1-CB 3.73Å; F104-L170 HydrophobicContact CD2-CB 4.49Å; F104-L170 HydrophobicContact CE1-CB 3.46Å; F104-L170 VanDerWaalsContact CE1-CB 3.46Å; F104-L170 HydrophobicContact CE1-CD1 3.76Å; F104-L170 HydrophobicContact CE1-CG 4.28Å; F104-L170 HydrophobicContact CE2-CB 4.24Å; F104-L170 HydrophobicContact CE2-CD1 4.05Å; F104-L170 HydrophobicContact CG-CB 4.27Å; F104-L170 HydrophobicContact CZ-CB 3.75Å; F104-L170 HydrophobicContact CZ-CD1 3.34Å; F104-L170 HydrophobicContact CZ-CG 4.2Å |
| 105 | E | 81.9 | Confident | 76.1 | Confident | 85 Ų | 85 | 99 Ų | 99 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 140.8 | 178.1 | -74.6 | 175 | 178 | 0 | 0 | 111.1 | L88 R89 W91 | L88-E105 WeakPolarHBondContact CA-O 3.16Å; R89-E105 HydrophobicContact CB-CB 4.3Å; R89-E105 IonicContact CZ-OE1 3.44Å; R89-E105 IonicContact CZ-OE2 2.99Å; R89-E105 PolarHBondContact N-O 2.84Å; R89-E105 IonicContact NE-OE2 3.89Å; R89-E105 PolarHBondContact NE-OE2 2.96Å; R89-E105 IonicContact NH2-OE1 3.03Å; R89-E105 PolarHBondContact NH2-OE1 3.27Å; R89-E105 IonicContact NH2-OE2 3.72Å; R89-E105 PolarHBondContact NH2-OE2 3.43Å; R89-E105 PolarHBondContact O-N 2.89Å; W91-E105 HydrophobicContact CH2-CG 3.57Å; W91-E105 WeakPolarHBondContact CH2-OE1 3.38Å; W91-E105 HydrophobicContact CZ3-CB 4.25Å; W91-E105 HydrophobicContact CZ3-CG 3.79Å |
| 106 | A | 83.5 | Confident | 74.5 | Confident | 48 Ų | 48 | 96.8 Ų | 96.8 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L88 | L88-A106 HydrophobicContact CD2-CB 3.49Å; L88-A106 VanDerWaalsContact CD2-CB 3.49Å |
| 107 | R | 76.6 | Confident | 73.4 | Confident | 195 Ų | 195 | 88.1 Ų | 88.1 | 74% | 0.736 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 130.8 | 175.7 | -176.1 | -175.8 | -70.4 | -95.4 | 0.7 | 110 | G87 V109 | G87-R107 WeakPolarHBondContact O-CB 3.26Å; G87-R107 PolarHBondContact O-N 3.34Å; R107-V109 PolarHBondContact O-N 2.88Å |
| 108 | K | 65.9 | Low | 72.9 | Confident | 166 Ų | 166 | 86.1 Ų | 86.1 | 72% | 0.722 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 120.4 | 168.5 | -67.6 | -177.7 | -179.4 | 179.1 | 0 | 109.7 | ||
| 109 | V | 63.6 | Low | 72.5 | Confident | 69 Ų | 69 | 84.3 Ų | 84.3 | 42% | 0.418 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 128.6 | 176.7 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | R107 N113 T117 | R107-V109 PolarHBondContact O-N 2.88Å; V109-N113 HydrophobicContact CG1-CB 4.38Å; V109-T117 HydrophobicContact CG1-CG2 4.25Å; V109-T117 HydrophobicContact CG2-CG2 4.11Å |
| 110 | S | 59.1 | Low | 72.2 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 46% | 0.462 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 142.3 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | N112 N113 | S110-N112 PolarHBondContact O-N 3.42Å; S110-N113 PolarHBondContact O-N 2.98Å |
| 111 | P | 55.7 | Low | 72.1 | Confident | 102 Ų | 102 | 75.6 Ų | 75.6 | 66% | 0.662 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -51.3 | -32.8 | -176.5 | -27.4 | 33.2 | 0 | 0 | 0 | 115 | N113 I114 | P111-N113 PolarHBondContact O-N 3.49Å; P111-N113 VanDerWaalsContact O-N 3.15Å; P111-I114 HydrophobicContact CB-CD1 4.45Å; P111-I114 WeakPolarHBondContact O-CG1 3.46Å |
| 112 | N | 57 | Low | 72.1 | Confident | 154 Ų | 154 | 78.7 Ų | 78.7 | 82% | 0.824 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -70.8 | -6.4 | -179 | -80 | 3.7 | 0 | 0 | 0 | 114.9 | S110 | S110-N112 PolarHBondContact O-N 3.42Š|
| 113 | N | 57.8 | Low | 72.3 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -125.1 | 8.4 | -172.1 | -62.1 | -80.2 | 0 | 0 | 0 | 114.3 | R30 V109 S110 P111 A115 T117 | R30-N113 PolarHBondContact NH1-OD1 3.34Å; V109-N113 HydrophobicContact CG1-CB 4.38Å; S110-N113 PolarHBondContact O-N 2.98Å; P111-N113 PolarHBondContact O-N 3.49Å; P111-N113 VanDerWaalsContact O-N 3.15Å; N113-A115 PolarHBondContact O-N 3.48Å; N113-T117 PolarHBondContact O-N 2.92Å; N113-T117 PolarHBondContact O-OG1 2.67Å |
| 114 | I | 60.8 | Low | 72.5 | Confident | 97 Ų | 97 | 72 Ų | 72 | 50% | 0.497 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | -169.2 | -65.4 | 170.6 | 0 | 0 | 0 | 112.5 | P111 A116 T117 E118 | P111-I114 HydrophobicContact CB-CD1 4.45Å; P111-I114 WeakPolarHBondContact O-CG1 3.46Å; I114-A116 PolarHBondContact O-N 2.87Å; I114-T117 PolarHBondContact O-N 2.87Å; I114-E118 PolarHBondContact O-N 3.35Å |
| 115 | A | 53.8 | Low | 72.8 | Confident | 41 Ų | 41 | 70.8 Ų | 70.8 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | N113 E118 | N113-A115 PolarHBondContact O-N 3.48Å; A115-E118 PolarHBondContact O-N 3.29Å |
| 116 | A | 55.4 | Low | 73.2 | Confident | 16 Ų | 16 | 71.6 Ų | 71.6 | 13% | 0.132 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.8 | -38.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K28 R30 I114 | K28-A116 HydrophobicContact CB-CB 4.48Å; K28-A116 VanDerWaalsContact O-CA 3.23Å; K28-A116 WeakPolarHBondContact O-CA 3.44Å; K28-A116 WeakPolarHBondContact O-CB 3.39Å; R30-A116 HydrophobicContact CB-CB 4.48Å; I114-A116 PolarHBondContact O-N 2.87Å |
| 117 | T | 69.5 | Low | 73.5 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 14% | 0.135 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -75.1 | -26.4 | 179.4 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | V109 N113 I114 A121 | V109-T117 HydrophobicContact CG1-CG2 4.25Å; V109-T117 HydrophobicContact CG2-CG2 4.11Å; N113-T117 PolarHBondContact O-N 2.92Å; N113-T117 PolarHBondContact O-OG1 2.67Å; I114-T117 PolarHBondContact O-N 2.87Å; T117-A121 VanDerWaalsContact O-CB 3.24Å; T117-A121 WeakPolarHBondContact O-CB 3.49Å; T117-A121 PolarHBondContact O-N 3.41Å |
| 118 | E | 78.1 | Confident | 74.2 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 44% | 0.435 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.9 | -45.2 | -180 | -169 | 178.9 | 171.8 | 0 | 0 | 112.7 | I114 A115 E120 A121 R122 | I114-E118 PolarHBondContact O-N 3.35Å; A115-E118 PolarHBondContact O-N 3.29Å; E118-E120 VanDerWaalsContact C-N 3.33Å; E118-E120 PolarHBondContact O-N 3.03Å; E118-A121 PolarHBondContact O-N 2.92Å; E118-R122 VanDerWaalsContact O-CG 3.29Å; E118-R122 WeakPolarHBondContact O-CG 3.17Å; E118-R122 PolarHBondContact O-N 2.64Å; E118-R122 IonicContact OE1-CZ 3.15Å; E118-R122 IonicContact OE1-NE 2.75Å; E118-R122 PolarHBondContact OE1-NE 3.33Å; E118-R122 IonicContact OE1-NH2 3.15Å; E118-R122 PolarHBondContact OE1-NH2 3.38Å |
| 119 | A | 79.8 | Confident | 75.5 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A27 R122 I123 | A27-A119 HydrophobicContact CB-CB 4.01Å; A119-R122 PolarHBondContact O-N 3.13Å; A119-I123 WeakPolarHBondContact O-CG1 3.23Å; A119-I123 PolarHBondContact O-N 3.37Å |
| 120 | E | 83.4 | Confident | 76.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 176.6 | -69.7 | -177.9 | 150 | 0 | 0 | 112.5 | I29 R30 H31 L85 E118 I123 F124 | I29-E120 HydrophobicContact CG2-CG 4.03Å; I29-E120 WeakPolarHBondContact CG2-OE1 3.09Å; R30-E120 WeakPolarHBondContact CA-OE1 3.3Å; R30-E120 PolarHBondContact N-OE1 3.46Å; H31-E120 WeakPolarHBondContact CA-OE1 3.45Å; H31-E120 IonicContact CD2-OE2 3.73Å; H31-E120 PolarHBondContact N-OE1 3.46Å; L85-E120 HydrophobicContact CB-CB 4.3Å; L85-E120 HydrophobicContact CD2-CB 3.92Å; L85-E120 HydrophobicContact CD2-CG 4.14Å; E118-E120 VanDerWaalsContact C-N 3.33Å; E118-E120 PolarHBondContact O-N 3.03Å; E120-I123 PolarHBondContact O-N 2.9Å; E120-F124 WeakPolarHBondContact O-CB 3.02Å; E120-F124 PolarHBondContact O-N 3.18Å |
| 121 | A | 86 | Confident | 78.3 | Confident | 21 Ų | 21 | 55 Ų | 55 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V86 T117 E118 I123 F124 W125 | V86-A121 HydrophobicContact CG1-CB 3.81Å; T117-A121 VanDerWaalsContact O-CB 3.24Å; T117-A121 WeakPolarHBondContact O-CB 3.49Å; T117-A121 PolarHBondContact O-N 3.41Å; E118-A121 PolarHBondContact O-N 2.92Å; A121-I123 PolarHBondContact O-N 3.25Å; A121-F124 PolarHBondContact O-N 3.4Å; A121-W125 PolarHBondContact O-N 2.97Å |
| 122 | R | 88 | Confident | 80 | Confident | 144 Ų | 144 | 50.7 Ų | 50.7 | 54% | 0.543 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.2 | -47.9 | 176.1 | -71.7 | 173.2 | -174.8 | -162.9 | 2.9 | 111 | E118 A119 F124 W125 L126 | E118-R122 VanDerWaalsContact O-CG 3.29Å; E118-R122 WeakPolarHBondContact O-CG 3.17Å; E118-R122 PolarHBondContact O-N 2.64Å; E118-R122 IonicContact OE1-CZ 3.15Å; E118-R122 IonicContact OE1-NE 2.75Å; E118-R122 PolarHBondContact OE1-NE 3.33Å; E118-R122 IonicContact OE1-NH2 3.15Å; E118-R122 PolarHBondContact OE1-NH2 3.38Å; A119-R122 PolarHBondContact O-N 3.13Å; R122-F124 VanDerWaalsContact C-N 3.34Å; R122-F124 PolarHBondContact O-N 3.19Å; R122-W125 PolarHBondContact O-N 2.84Å; R122-L126 VanDerWaalsContact O-CB 3.3Å; R122-L126 WeakPolarHBondContact O-CB 3.17Å; R122-L126 VanDerWaalsContact O-CG 3.27Å; R122-L126 WeakPolarHBondContact O-CG 3.34Å; R122-L126 PolarHBondContact O-N 3.24Å |
| 123 | I | 88.8 | Confident | 81.7 | Confident | 51 Ų | 51 | 49 Ų | 49 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 178.2 | -64.3 | 162.9 | 0 | 0 | 0 | 111 | T35 L39 A119 E120 A121 G127 | T35-I123 HydrophobicContact CG2-CB 4.42Å; T35-I123 HydrophobicContact CG2-CD1 3.93Å; T35-I123 HydrophobicContact CG2-CG2 3.77Å; L39-I123 HydrophobicContact CD1-CG2 4.41Å; L39-I123 HydrophobicContact CD2-CG2 4.45Å; A119-I123 WeakPolarHBondContact O-CG1 3.23Å; A119-I123 PolarHBondContact O-N 3.37Å; E120-I123 PolarHBondContact O-N 2.9Å; A121-I123 PolarHBondContact O-N 3.25Å; I123-G127 PolarHBondContact O-N 2.91Å |
| 124 | F | 91.4 | Very high | 83.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.3 | -50.4 | 176.9 | 175 | -91.3 | 0 | 0 | 0 | 111.9 | H38 V77 L85 V86 E120 A121 R122 G127 L128 Y168 | H38-F124 AromaticContact CE1-CD2 3.58Å; H38-F124 AromaticContact CE1-CE2 3.93Å; V77-F124 HydrophobicContact CG1-CE2 4.24Å; V77-F124 HydrophobicContact CG1-CZ 4.46Å; L85-F124 HydrophobicContact CB-CB 4.12Å; L85-F124 HydrophobicContact CB-CD2 4.43Å; L85-F124 HydrophobicContact CD1-CB 4.11Å; L85-F124 HydrophobicContact CD1-CD2 4.17Å; V86-F124 HydrophobicContact CB-CD1 4.26Å; V86-F124 HydrophobicContact CB-CE1 4.49Å; V86-F124 HydrophobicContact CG1-CB 3.93Å; V86-F124 HydrophobicContact CG1-CD1 3.41Å; V86-F124 VanDerWaalsContact CG1-CD1 3.41Å; V86-F124 HydrophobicContact CG1-CE1 4.08Å; V86-F124 HydrophobicContact CG1-CG 3.77Å; V86-F124 HydrophobicContact CG2-CD1 3.79Å; V86-F124 HydrophobicContact CG2-CE1 3.6Å; V86-F124 HydrophobicContact CG2-CE2 4.37Å; V86-F124 HydrophobicContact CG2-CG 4.25Å; V86-F124 HydrophobicContact CG2-CZ 3.91Å; E120-F124 WeakPolarHBondContact O-CB 3.02Å; E120-F124 PolarHBondContact O-N 3.18Å; A121-F124 PolarHBondContact O-N 3.4Å; R122-F124 VanDerWaalsContact C-N 3.34Å; R122-F124 PolarHBondContact O-N 3.19Å; F124-G127 PolarHBondContact O-N 3Å; F124-L128 HydrophobicContact CE1-CD2 3.86Å; F124-L128 HydrophobicContact CZ-CD2 4.23Å; F124-L128 VanDerWaalsContact O-CB 3.26Å; F124-L128 WeakPolarHBondContact O-CB 3.49Å; F124-L128 PolarHBondContact O-N 3.1Å; F124-Y168 HydrophobicContact CE1-CD1 4.32Å; F124-Y168 HydrophobicContact CE1-CD2 4.32Å; F124-Y168 HydrophobicContact CE1-CG 4.16Å; F124-Y168 HydrophobicContact CZ-CD1 4.07Å; F124-Y168 AromaticContact CZ-CD2 3.81Å; F124-Y168 HydrophobicContact CZ-CD2 3.81Å; F124-Y168 HydrophobicContact CZ-CE1 4.03Å; F124-Y168 AromaticContact CZ-CE2 3.82Å; F124-Y168 HydrophobicContact CZ-CE2 3.82Å; F124-Y168 AromaticContact CZ-CG 3.99Å; F124-Y168 HydrophobicContact CZ-CG 3.99Å; F124-Y168 AromaticContact CZ-CZ 3.92Å |
| 125 | W | 92.3 | Very high | 85 | Confident | 40 Ų | 40 | 44.5 Ų | 44.5 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -41.7 | -179 | -74.5 | 111.7 | 0 | 0 | 0 | 112.4 | L88 A121 R122 L128 I129 Y168 I169 K172 | L88-W125 HydrophobicContact CD1-CH2 4.29Å; L88-W125 HydrophobicContact CD1-CZ2 3.71Å; A121-W125 PolarHBondContact O-N 2.97Å; R122-W125 PolarHBondContact O-N 2.84Å; W125-L128 HydrophobicContact CE3-CD2 3.95Å; W125-L128 HydrophobicContact CZ3-CD2 3.9Å; W125-L128 PolarHBondContact O-N 3.41Å; W125-I129 WeakPolarHBondContact O-CG1 3.36Å; W125-I129 PolarHBondContact O-N 3.04Å; W125-Y168 WeakPolarHBondContact CH2-O 3.47Å; W125-I169 HydrophobicContact CZ3-CG1 4.35Å; W125-K172 HydrophobicContact CH2-CB 4.08Å; W125-K172 HydrophobicContact CH2-CD 3.94Å; W125-K172 HydrophobicContact CZ2-CB 4.14Å; W125-K172 HydrophobicContact CZ2-CD 3.67Å; W125-K172 HydrophobicContact CZ2-CG 4.41Å |
| 126 | L | 91.6 | Very high | 86.9 | Confident | 102 Ų | 102 | 44.9 Ų | 44.9 | 53% | 0.534 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 174.4 | -76.2 | 174.9 | 0 | 0 | 0 | 110.8 | R122 L128 I129 I130 | R122-L126 VanDerWaalsContact O-CB 3.3Å; R122-L126 WeakPolarHBondContact O-CB 3.17Å; R122-L126 VanDerWaalsContact O-CG 3.27Å; R122-L126 WeakPolarHBondContact O-CG 3.34Å; R122-L126 PolarHBondContact O-N 3.24Å; L126-L128 PolarHBondContact O-N 3.02Å; L126-I129 PolarHBondContact O-N 3.47Å; L126-I130 HydrophobicContact CB-CD1 4.19Å; L126-I130 HydrophobicContact CD2-CD1 4.36Å; L126-I130 VanDerWaalsContact O-CB 3.24Å; L126-I130 WeakPolarHBondContact O-CB 3.4Å; L126-I130 WeakPolarHBondContact O-CG1 3.24Å; L126-I130 PolarHBondContact O-N 3.4Å |
| 127 | G | 89.3 | Confident | 88.8 | Confident | 10 Ų | 10 | 48.8 Ų | 48.8 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.9 | -56.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R42 I123 F124 I129 I130 C131 | R42-G127 PolarHBondContact NH1-O 3.32Å; I123-G127 PolarHBondContact O-N 2.91Å; F124-G127 PolarHBondContact O-N 3Å; G127-I129 PolarHBondContact O-N 2.76Å; G127-I129 VanDerWaalsContact O-N 3.13Å; G127-I130 PolarHBondContact O-N 2.67Å; G127-C131 WeakPolarHBondContact O-CB 3.46Å; G127-C131 PolarHBondContact O-N 3.25Å |
| 128 | L | 91.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.1 | -29.6 | -175.7 | -166.5 | 65.5 | 0 | 0 | 0 | 113.6 | V77 F124 W125 L126 P132 N164 L165 Y168 | V77-L128 HydrophobicContact CG1-CD1 4.06Å; F124-L128 HydrophobicContact CE1-CD2 3.86Å; F124-L128 HydrophobicContact CZ-CD2 4.23Å; F124-L128 VanDerWaalsContact O-CB 3.26Å; F124-L128 WeakPolarHBondContact O-CB 3.49Å; F124-L128 PolarHBondContact O-N 3.1Å; W125-L128 HydrophobicContact CE3-CD2 3.95Å; W125-L128 HydrophobicContact CZ3-CD2 3.9Å; W125-L128 PolarHBondContact O-N 3.41Å; L126-L128 PolarHBondContact O-N 3.02Å; L128-P132 WeakPolarHBondContact O-CD 3.3Å; L128-P132 WeakPolarHBondContact O-CG 3.12Å; L128-N164 HydrophobicContact CD1-CB 4.06Å; L128-L165 HydrophobicContact CD2-CD1 3.9Å; L128-L165 HydrophobicContact CG-CB 4.25Å; L128-L165 HydrophobicContact CG-CD1 3.84Å; L128-Y168 HydrophobicContact CD1-CD2 4.39Å; L128-Y168 HydrophobicContact CD2-CD2 3.87Å; L128-Y168 HydrophobicContact CD2-CG 4.19Å |
| 129 | I | 92.1 | Very high | 90.6 | Very high | 88 Ų | 88 | 47.9 Ų | 47.9 | 45% | 0.451 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -92.4 | -45.6 | 178.2 | -64 | 166.6 | 0 | 0 | 0 | 112 | W125 L126 G127 C131 P132 M133 L165 | W125-I129 WeakPolarHBondContact O-CG1 3.36Å; W125-I129 PolarHBondContact O-N 3.04Å; L126-I129 PolarHBondContact O-N 3.47Å; G127-I129 PolarHBondContact O-N 2.76Å; G127-I129 VanDerWaalsContact O-N 3.13Å; I129-C131 PolarHBondContact O-N 3.46Å; I129-P132 VanDerWaalsContact O-CD 3.25Å; I129-P132 WeakPolarHBondContact O-CD 3.24Å; I129-P132 VanDerWaalsContact O-CG 3.26Å; I129-P132 WeakPolarHBondContact O-CG 3.3Å; I129-M133 WeakPolarHBondContact O-CG 3.4Å; I129-M133 PolarHBondContact O-N 3.45Å; I129-L165 HydrophobicContact CG1-CD1 4.18Å |
| 130 | I | 91.4 | Very high | 91.3 | Very high | 89 Ų | 89 | 52 Ų | 52 | 46% | 0.456 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.4 | -40 | -175.5 | -68.5 | 169.3 | 0 | 0 | 0 | 111 | L126 G127 M133 I134 | L126-I130 HydrophobicContact CB-CD1 4.19Å; L126-I130 HydrophobicContact CD2-CD1 4.36Å; L126-I130 VanDerWaalsContact O-CB 3.24Å; L126-I130 WeakPolarHBondContact O-CB 3.4Å; L126-I130 WeakPolarHBondContact O-CG1 3.24Å; L126-I130 PolarHBondContact O-N 3.4Å; G127-I130 PolarHBondContact O-N 2.67Å; I130-M133 WeakPolarHBondContact O-CB 3.39Å; I130-M133 PolarHBondContact O-N 3Å; I130-I134 HydrophobicContact CG2-CD1 3.87Å; I130-I134 HydrophobicContact CG2-CG1 4.33Å; I130-I134 WeakPolarHBondContact O-CG1 3.08Å; I130-I134 PolarHBondContact O-N 2.97Å |
| 131 | C | 90.4 | Very high | 91.7 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.6 | -52 | -177.8 | -169.2 | 0 | 0 | 0 | 0 | 113.5 | G127 I129 M133 I134 W135 Q161 | G127-C131 WeakPolarHBondContact O-CB 3.46Å; G127-C131 PolarHBondContact O-N 3.25Å; I129-C131 PolarHBondContact O-N 3.46Å; C131-M133 PolarHBondContact O-N 3.33Å; C131-I134 WeakPolarHBondContact O-CB 3.31Å; C131-I134 PolarHBondContact O-N 3.3Å; C131-I134 VanDerWaalsContact O-N 3.13Å; C131-W135 VanDerWaalsContact O-CD1 3.23Å; C131-W135 PolarHBondContact O-N 3.2Å; C131-W135 VanDerWaalsContact O-N 3.09Å; C131-Q161 PolarHBondContact SG-NE2 3.08Å |
| 132 | P | 91 | Very high | 91.9 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 8% | 0.078 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -32.5 | 175.3 | 20.6 | -30 | 0 | 0 | 0 | 112.7 | L128 I129 I134 W135 V136 Q161 | L128-P132 WeakPolarHBondContact O-CD 3.3Å; L128-P132 WeakPolarHBondContact O-CG 3.12Å; I129-P132 VanDerWaalsContact O-CD 3.25Å; I129-P132 WeakPolarHBondContact O-CD 3.24Å; I129-P132 VanDerWaalsContact O-CG 3.26Å; I129-P132 WeakPolarHBondContact O-CG 3.3Å; P132-I134 PolarHBondContact O-N 2.8Å; P132-W135 PolarHBondContact O-N 3.29Å; P132-V136 VanDerWaalsContact O-CG2 3.31Å; P132-V136 WeakPolarHBondContact O-CG2 3.24Å; P132-V136 PolarHBondContact O-N 3.48Å; P132-Q161 HydrophobicContact CB-CB 4.04Å; P132-Q161 HydrophobicContact CG-CB 4.42Å |
| 133 | M | 93.8 | Very high | 92 | Very high | 119 Ų | 119 | 49.6 Ų | 49.6 | 59% | 0.586 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61 | -42.7 | 173.3 | -68.8 | -61.3 | -64.9 | 0 | 0 | 112.2 | I129 I130 C131 W135 V136 V137 | I129-M133 WeakPolarHBondContact O-CG 3.4Å; I129-M133 PolarHBondContact O-N 3.45Å; I130-M133 WeakPolarHBondContact O-CB 3.39Å; I130-M133 PolarHBondContact O-N 3Å; C131-M133 PolarHBondContact O-N 3.33Å; M133-W135 VanDerWaalsContact C-N 3.35Å; M133-W135 PolarHBondContact O-N 2.9Å; M133-V136 PolarHBondContact O-N 3.03Å; M133-V137 WeakPolarHBondContact O-CG2 3.5Å; M133-V137 PolarHBondContact O-N 2.84Å; M133-V137 VanDerWaalsContact O-N 3.09Å |
| 134 | I | 93.3 | Very high | 92.1 | Very high | 58 Ų | 58 | 55.4 Ų | 55.4 | 30% | 0.297 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 174.6 | -65.6 | 168 | 0 | 0 | 0 | 110.7 | I46 I130 C131 P132 V136 V137 F138 | I46-I134 HydrophobicContact CD1-CD1 3.97Å; I46-I134 HydrophobicContact CD1-CG2 4.06Å; I46-I134 HydrophobicContact CG1-CG2 4.33Å; I130-I134 HydrophobicContact CG2-CD1 3.87Å; I130-I134 HydrophobicContact CG2-CG1 4.33Å; I130-I134 WeakPolarHBondContact O-CG1 3.08Å; I130-I134 PolarHBondContact O-N 2.97Å; C131-I134 WeakPolarHBondContact O-CB 3.31Å; C131-I134 PolarHBondContact O-N 3.3Å; C131-I134 VanDerWaalsContact O-N 3.13Å; P132-I134 PolarHBondContact O-N 2.8Å; I134-V136 VanDerWaalsContact C-N 3.32Å; I134-V136 PolarHBondContact O-N 3.42Å; I134-V137 WeakPolarHBondContact O-CB 3.35Å; I134-V137 PolarHBondContact O-N 3.43Å; I134-V137 VanDerWaalsContact O-N 3.16Å; I134-F138 HydrophobicContact CG2-CD2 4.29Å; I134-F138 HydrophobicContact CG2-CE2 3.79Å; I134-F138 HydrophobicContact CG2-CZ 3.95Å; I134-F138 PolarHBondContact O-N 2.84Å |
| 135 | W | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -33.9 | 177.6 | -77.4 | 102.7 | 0 | 0 | 0 | 113.1 | A45 Y49 V66 L70 C131 P132 M133 V137 F138 F139 V154 I158 | A45-W135 HydrophobicContact CB-CZ2 4.4Å; Y49-W135 HydrophobicContact CD2-CH2 4.35Å; Y49-W135 HydrophobicContact CD2-CZ3 4.23Å; Y49-W135 HydrophobicContact CE2-CZ3 4.47Å; Y49-W135 HydrophobicContact CG-CH2 4.46Å; V66-W135 HydrophobicContact CG1-CH2 3.9Å; L70-W135 HydrophobicContact CD1-CH2 3.94Å; L70-W135 HydrophobicContact CD1-CZ2 4.08Å; L70-W135 HydrophobicContact CD2-CH2 4.26Å; L70-W135 HydrophobicContact CD2-CZ2 3.54Å; L70-W135 HydrophobicContact CG-CH2 4.38Å; L70-W135 HydrophobicContact CG-CZ2 4.06Å; C131-W135 VanDerWaalsContact O-CD1 3.23Å; C131-W135 PolarHBondContact O-N 3.2Å; C131-W135 VanDerWaalsContact O-N 3.09Å; P132-W135 PolarHBondContact O-N 3.29Å; M133-W135 VanDerWaalsContact C-N 3.35Å; M133-W135 PolarHBondContact O-N 2.9Å; W135-V137 VanDerWaalsContact C-N 3.35Å; W135-F138 HydrophobicContact CD2-CD2 4.46Å; W135-F138 HydrophobicContact CE3-CD2 4.16Å; W135-F138 HydrophobicContact CZ3-CD2 4.44Å; W135-F138 PolarHBondContact O-N 3.17Å; W135-F139 PolarHBondContact O-N 3.35Å; W135-V154 HydrophobicContact CE3-CB 4.39Å; W135-V154 HydrophobicContact CE3-CG1 4.16Å; W135-V154 HydrophobicContact CE3-CG2 4.28Å; W135-V154 HydrophobicContact CZ3-CG2 4.17Å; W135-V154 WeakPolarHBondContact O-CG1 3.34Å; W135-I158 HydrophobicContact CB-CG1 3.76Å |
| 136 | V | 94.4 | Very high | 91.6 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 30% | 0.297 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 172.3 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | P132 M133 I134 F138 F139 F140 I158 | P132-V136 VanDerWaalsContact O-CG2 3.31Å; P132-V136 WeakPolarHBondContact O-CG2 3.24Å; P132-V136 PolarHBondContact O-N 3.48Å; M133-V136 PolarHBondContact O-N 3.03Å; I134-V136 VanDerWaalsContact C-N 3.32Å; I134-V136 PolarHBondContact O-N 3.42Å; V136-F138 PolarHBondContact O-N 2.94Å; V136-F139 WeakPolarHBondContact O-CB 3.29Å; V136-F139 PolarHBondContact O-N 2.94Å; V136-F139 VanDerWaalsContact O-N 3.15Å; V136-F140 HydrophobicContact CG1-CD2 3.87Å; V136-F140 HydrophobicContact CG1-CE2 3.54Å; V136-F140 WeakPolarHBondContact O-CD2 3.31Å; V136-F140 PolarHBondContact O-N 2.9Å; V136-F140 VanDerWaalsContact O-N 3.08Å; V136-I158 HydrophobicContact CG2-CD1 4.13Å |
| 137 | V | 94.1 | Very high | 91.1 | Very high | 99 Ų | 99 | 62.9 Ų | 62.9 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 173.3 | 175 | 0 | 0 | 0 | 0 | 110.9 | M133 I134 W135 F139 F140 G141 | M133-V137 WeakPolarHBondContact O-CG2 3.5Å; M133-V137 PolarHBondContact O-N 2.84Å; M133-V137 VanDerWaalsContact O-N 3.09Å; I134-V137 WeakPolarHBondContact O-CB 3.35Å; I134-V137 PolarHBondContact O-N 3.43Å; I134-V137 VanDerWaalsContact O-N 3.16Å; W135-V137 VanDerWaalsContact C-N 3.35Å; V137-F139 VanDerWaalsContact C-N 3.26Å; V137-F139 PolarHBondContact O-N 3.28Å; V137-F140 PolarHBondContact O-N 2.87Å; V137-G141 PolarHBondContact O-N 2.92Å |
| 138 | F | 92.9 | Very high | 90.8 | Very high | 42 Ų | 42 | 68.4 Ų | 68.4 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.2 | -31.6 | 173.9 | -66.2 | -23.7 | 0 | 0 | 0 | 113.2 | I46 Y49 V50 I134 W135 V136 G141 T142 V154 | I46-F138 HydrophobicContact CG1-CE2 4.47Å; I46-F138 HydrophobicContact CG2-CE2 4.04Å; I46-F138 HydrophobicContact CG2-CZ 3.99Å; Y49-F138 AromaticContact CD1-CD2 3.71Å; Y49-F138 HydrophobicContact CD1-CD2 3.71Å; Y49-F138 AromaticContact CD1-CE2 3.69Å; Y49-F138 HydrophobicContact CD1-CE2 3.69Å; Y49-F138 HydrophobicContact CD1-CG 4.15Å; Y49-F138 HydrophobicContact CD1-CZ 4.12Å; Y49-F138 HydrophobicContact CE1-CB 4.04Å; Y49-F138 HydrophobicContact CE1-CD1 4.05Å; Y49-F138 AromaticContact CE1-CD2 3.69Å; Y49-F138 HydrophobicContact CE1-CD2 3.69Å; Y49-F138 HydrophobicContact CE1-CE1 4.41Å; Y49-F138 HydrophobicContact CE1-CE2 4.08Å; Y49-F138 AromaticContact CE1-CG 3.67Å; Y49-F138 HydrophobicContact CE1-CG 3.67Å; Y49-F138 HydrophobicContact CE1-CZ 4.42Å; V50-F138 HydrophobicContact CG2-CE1 4.28Å; V50-F138 HydrophobicContact CG2-CZ 3.81Å; I134-F138 HydrophobicContact CG2-CD2 4.29Å; I134-F138 HydrophobicContact CG2-CE2 3.79Å; I134-F138 HydrophobicContact CG2-CZ 3.95Å; I134-F138 PolarHBondContact O-N 2.84Å; W135-F138 HydrophobicContact CD2-CD2 4.46Å; W135-F138 HydrophobicContact CE3-CD2 4.16Å; W135-F138 HydrophobicContact CZ3-CD2 4.44Å; W135-F138 PolarHBondContact O-N 3.17Å; V136-F138 PolarHBondContact O-N 2.94Å; F138-G141 PolarHBondContact O-N 2.77Å; F138-T142 WeakPolarHBondContact O-CB 3.29Å; F138-T142 WeakPolarHBondContact O-CG2 3.41Å; F138-T142 PolarHBondContact O-N 3.37Å; F138-T142 PolarHBondContact O-OG1 2.86Å; F138-V154 HydrophobicContact CB-CG1 4.42Å; F138-V154 HydrophobicContact CB-CG2 4.23Å |
| 139 | F | 93.9 | Very high | 90.5 | Very high | 54 Ų | 54 | 75.3 Ų | 75.3 | 24% | 0.237 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.8 | -51.8 | 176.1 | 176.5 | -98.7 | 0 | 0 | 0 | 110.6 | W135 V136 V137 G141 T142 L143 L151 V154 V155 I158 | W135-F139 PolarHBondContact O-N 3.35Å; V136-F139 WeakPolarHBondContact O-CB 3.29Å; V136-F139 PolarHBondContact O-N 2.94Å; V136-F139 VanDerWaalsContact O-N 3.15Å; V137-F139 VanDerWaalsContact C-N 3.26Å; V137-F139 PolarHBondContact O-N 3.28Å; F139-G141 VanDerWaalsContact C-N 3.34Å; F139-G141 PolarHBondContact O-N 3.27Å; F139-T142 PolarHBondContact O-N 2.98Å; F139-T142 PolarHBondContact O-OG1 3.14Å; F139-L143 HydrophobicContact CE1-CD2 4.03Å; F139-L143 HydrophobicContact CZ-CD2 4.43Å; F139-L143 WeakPolarHBondContact O-CB 3.36Å; F139-L143 PolarHBondContact O-N 3.36Å; F139-L151 HydrophobicContact CD2-CD1 3.73Å; F139-L151 HydrophobicContact CE2-CD1 3.56Å; F139-L151 HydrophobicContact CE2-CG 4.44Å; F139-L151 HydrophobicContact CZ-CD1 4.4Å; F139-V154 HydrophobicContact CB-CG1 3.57Å; F139-V154 HydrophobicContact CD2-CG1 4.2Å; F139-V154 HydrophobicContact CG-CG1 4.4Å; F139-V155 HydrophobicContact CD2-CG2 4.13Å; F139-V155 HydrophobicContact CE2-CG2 3.84Å; F139-I158 HydrophobicContact CB-CD1 3.76Å; F139-I158 HydrophobicContact CD2-CD1 4.32Å; F139-I158 HydrophobicContact CG-CD1 4.15Å |
| 140 | F | 93.9 | Very high | 90.2 | Very high | 105 Ų | 105 | 72.8 Ų | 72.8 | 46% | 0.461 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176.7 | -72.3 | -68.2 | 0 | 0 | 0 | 111.8 | V136 V137 T142 L143 F144 | V136-F140 HydrophobicContact CG1-CD2 3.87Å; V136-F140 HydrophobicContact CG1-CE2 3.54Å; V136-F140 WeakPolarHBondContact O-CD2 3.31Å; V136-F140 PolarHBondContact O-N 2.9Å; V136-F140 VanDerWaalsContact O-N 3.08Å; V137-F140 PolarHBondContact O-N 2.87Å; F140-T142 PolarHBondContact O-N 2.73Å; F140-L143 HydrophobicContact CD1-CD2 4.45Å; F140-L143 PolarHBondContact O-N 3.42Å; F140-F144 HydrophobicContact CB-CD2 4.44Å; F140-F144 HydrophobicContact CB-CE2 4.22Å; F140-F144 HydrophobicContact CD1-CE2 4.36Å; F140-F144 WeakPolarHBondContact O-CD2 3.4Å; F140-F144 PolarHBondContact O-N 3.36Å |
| 141 | G | 90.7 | Very high | 90.2 | Very high | 41 Ų | 41 | 70.1 Ų | 70.1 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V137 F138 F139 S145 | V137-G141 PolarHBondContact O-N 2.92Å; F138-G141 PolarHBondContact O-N 2.77Å; F139-G141 VanDerWaalsContact C-N 3.34Å; F139-G141 PolarHBondContact O-N 3.27Å; G141-S145 WeakPolarHBondContact O-CB 3.48Å; G141-S145 PolarHBondContact O-N 3.15Å; G141-S145 PolarHBondContact O-OG 3.44Å |
| 142 | T | 89.8 | Confident | 90.2 | Very high | 9 Ų | 9 | 72.6 Ų | 72.6 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -75.1 | -32.4 | 177.5 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | Y49 F138 F139 F140 S145 L146 K147 W150 V154 | Y49-T142 WeakPolarHBondContact OH-CG2 3.18Å; F138-T142 WeakPolarHBondContact O-CB 3.29Å; F138-T142 WeakPolarHBondContact O-CG2 3.41Å; F138-T142 PolarHBondContact O-N 3.37Å; F138-T142 PolarHBondContact O-OG1 2.86Å; F139-T142 PolarHBondContact O-N 2.98Å; F139-T142 PolarHBondContact O-OG1 3.14Å; F140-T142 PolarHBondContact O-N 2.73Å; T142-S145 CarbonylContact O-C 3.56Å; T142-S145 PolarHBondContact O-N 3.44Å; T142-L146 PolarHBondContact O-N 2.97Å; T142-L146 VanDerWaalsContact O-N 3.07Å; T142-K147 PolarHBondContact O-N 3.44Å; T142-W150 HydrophobicContact CG2-CB 4.03Å; T142-V154 HydrophobicContact CG2-CG2 4.27Å |
| 143 | L | 91.3 | Very high | 90.3 | Very high | 66 Ų | 66 | 72 Ų | 72 | 35% | 0.346 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -50.7 | 176.2 | -175.2 | 69.5 | 0 | 0 | 0 | 110.7 | F139 F140 S145 L146 L151 | F139-L143 HydrophobicContact CE1-CD2 4.03Å; F139-L143 HydrophobicContact CZ-CD2 4.43Å; F139-L143 WeakPolarHBondContact O-CB 3.36Å; F139-L143 PolarHBondContact O-N 3.36Å; F140-L143 HydrophobicContact CD1-CD2 4.45Å; F140-L143 PolarHBondContact O-N 3.42Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 2.97Å; L143-L146 PolarHBondContact O-N 3.39Å; L143-L146 VanDerWaalsContact O-N 3.11Å; L143-L151 HydrophobicContact CB-CD1 4.42Å; L143-L151 HydrophobicContact CD1-CD1 4.38Å; L143-L151 HydrophobicContact CD1-CD2 4.49Å |
| 144 | F | 90.9 | Very high | 90.3 | Very high | 172 Ų | 172 | 66.4 Ų | 66.4 | 75% | 0.754 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.8 | -30.1 | 176.2 | -69.5 | -60.4 | 0 | 0 | 0 | 112.7 | F140 L146 | F140-F144 HydrophobicContact CB-CD2 4.44Å; F140-F144 HydrophobicContact CB-CE2 4.22Å; F140-F144 HydrophobicContact CD1-CE2 4.36Å; F140-F144 WeakPolarHBondContact O-CD2 3.4Å; F140-F144 PolarHBondContact O-N 3.36Å; F144-L146 VanDerWaalsContact C-N 3.27Å; F144-L146 PolarHBondContact O-N 3Å |
| 145 | S | 85.8 | Confident | 90.3 | Very high | 74 Ų | 74 | 66.7 Ų | 66.7 | 52% | 0.517 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -5 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 113.9 | G141 T142 L143 K147 | G141-S145 WeakPolarHBondContact O-CB 3.48Å; G141-S145 PolarHBondContact O-N 3.15Å; G141-S145 PolarHBondContact O-OG 3.44Å; T142-S145 CarbonylContact O-C 3.56Å; T142-S145 PolarHBondContact O-N 3.44Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 2.97Å; S145-K147 PolarHBondContact O-N 2.84Å |
| 146 | L | 86.4 | Confident | 90.3 | Very high | 140 Ų | 140 | 68.1 Ų | 68.1 | 73% | 0.733 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 27.5 | -176.5 | -62.7 | 174.6 | 0 | 0 | 0 | 114.7 | T142 L143 F144 L148 | T142-L146 PolarHBondContact O-N 2.97Å; T142-L146 VanDerWaalsContact O-N 3.07Å; L143-L146 PolarHBondContact O-N 3.39Å; L143-L146 VanDerWaalsContact O-N 3.11Å; F144-L146 VanDerWaalsContact C-N 3.27Å; F144-L146 PolarHBondContact O-N 3Å; L146-L148 VanDerWaalsContact C-N 3.27Å; L146-L148 PolarHBondContact O-N 2.85Å |
| 147 | K | 82.8 | Confident | 90.3 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | trans | -79.8 | 71.2 | 178 | -76.8 | -174.1 | 179.1 | 175.9 | 0 | 109.8 | D53 T142 S145 K149 W150 L151 | D53-K147 IonicContact OD1-NZ 3.86Å; D53-K147 PolarHBondContact OD1-NZ 2.93Å; D53-K147 IonicContact OD2-NZ 3.89Å; T142-K147 PolarHBondContact O-N 3.44Å; S145-K147 PolarHBondContact O-N 2.84Å; K147-K149 PolarHBondContact O-N 3.19Å; K147-W150 HydrophobicContact CB-CB 4.26Å; K147-W150 HydrophobicContact CB-CG 4.46Å; K147-W150 PolarHBondContact O-N 2.9Å; K147-L151 PolarHBondContact O-N 3.49Å | ||
| 148 | L | 82.9 | Confident | 90.3 | Very high | 126 Ų | 126 | 62.7 Ų | 62.7 | 66% | 0.66 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -50.9 | -35.5 | -172.7 | -63.9 | -179.2 | 0 | 0 | 0 | 114.6 | L146 W150 L151 A152 | L146-L148 VanDerWaalsContact C-N 3.27Å; L146-L148 PolarHBondContact O-N 2.85Å; L148-W150 VanDerWaalsContact C-N 3.34Å; L148-W150 PolarHBondContact O-N 2.96Å; L148-L151 HydrophobicContact CD2-CD2 4.18Å; L148-L151 WeakPolarHBondContact O-CB 3.39Å; L148-L151 PolarHBondContact O-N 2.86Å; L148-A152 PolarHBondContact O-N 3.41Å |
| 149 | K | 83.3 | Confident | 90.5 | Very high | 145 Ų | 145 | 63.9 Ų | 63.9 | 63% | 0.63 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -62.4 | -39.2 | 177.4 | -67.6 | -179.5 | -178.5 | 171.3 | 0 | 113 | F59 K147 | F59-K149 HydrophobicContact CE1-CB 4.37Å; F59-K149 HydrophobicContact CE1-CD 4.09Å; F59-K149 HydrophobicContact CE2-CB 3.82Å; F59-K149 HydrophobicContact CE2-CD 4.38Å; F59-K149 HydrophobicContact CZ-CB 3.54Å; F59-K149 HydrophobicContact CZ-CD 4.01Å; F59-K149 HydrophobicContact CZ-CG 4.21Å; K147-K149 PolarHBondContact O-N 3.19Å |
| 150 | W | 87.2 | Confident | 90.4 | Very high | 36 Ų | 36 | 63.4 Ų | 63.4 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -81.5 | -29.4 | 178 | -67.3 | 95.2 | 0 | 0 | 0 | 111.7 | Y49 C52 F59 C62 T142 K147 L148 A152 L153 V154 | Y49-W150 HydrophobicContact CD2-CE3 4.11Å; Y49-W150 HydrophobicContact CD2-CZ3 4.14Å; Y49-W150 AromaticContact CE2-CE3 3.7Å; Y49-W150 HydrophobicContact CE2-CE3 3.7Å; Y49-W150 HydrophobicContact CE2-CZ3 4.19Å; C52-W150 HydrophobicContact CB-CH2 3.73Å; C52-W150 HydrophobicContact CB-CZ3 4.41Å; F59-W150 AromaticContact CD2-CE2 3.95Å; F59-W150 AromaticContact CD2-CZ2 3.86Å; F59-W150 HydrophobicContact CD2-CZ2 3.86Å; F59-W150 HydrophobicContact CE2-CD2 4.27Å; F59-W150 AromaticContact CE2-CE2 3.84Å; F59-W150 HydrophobicContact CE2-CZ2 4.12Å; F59-W150 AromaticContact CE2-NE1 3.88Å; C62-W150 HydrophobicContact CB-CH2 4.28Å; C62-W150 VanDerWaalsContact SG-CH2 3.6Å; T142-W150 HydrophobicContact CG2-CB 4.03Å; K147-W150 HydrophobicContact CB-CB 4.26Å; K147-W150 HydrophobicContact CB-CG 4.46Å; K147-W150 PolarHBondContact O-N 2.9Å; L148-W150 VanDerWaalsContact C-N 3.34Å; L148-W150 PolarHBondContact O-N 2.96Å; W150-A152 VanDerWaalsContact C-N 3.29Å; W150-A152 PolarHBondContact O-N 3.49Å; W150-L153 HydrophobicContact CE3-CD2 3.9Å; W150-L153 HydrophobicContact CZ3-CD2 3.98Å; W150-L153 WeakPolarHBondContact O-CB 3.11Å; W150-L153 PolarHBondContact O-N 2.97Å; W150-L153 VanDerWaalsContact O-N 3.12Å; W150-V154 WeakPolarHBondContact O-CG2 3.1Å; W150-V154 PolarHBondContact O-N 3.12Å |
| 151 | L | 90.8 | Very high | 90.4 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 17% | 0.173 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.6 | -44 | 174.8 | -169.6 | 68.4 | 0 | 0 | 0 | 111.5 | F139 L143 K147 L148 L153 V154 V155 | F139-L151 HydrophobicContact CD2-CD1 3.73Å; F139-L151 HydrophobicContact CE2-CD1 3.56Å; F139-L151 HydrophobicContact CE2-CG 4.44Å; F139-L151 HydrophobicContact CZ-CD1 4.4Å; L143-L151 HydrophobicContact CB-CD1 4.42Å; L143-L151 HydrophobicContact CD1-CD1 4.38Å; L143-L151 HydrophobicContact CD1-CD2 4.49Å; K147-L151 PolarHBondContact O-N 3.49Å; L148-L151 HydrophobicContact CD2-CD2 4.18Å; L148-L151 WeakPolarHBondContact O-CB 3.39Å; L148-L151 PolarHBondContact O-N 2.86Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 2.83Å; L151-V154 PolarHBondContact O-N 3.26Å; L151-V155 WeakPolarHBondContact O-CB 3.43Å; L151-V155 VanDerWaalsContact O-CG2 3.28Å; L151-V155 WeakPolarHBondContact O-CG2 3.44Å; L151-V155 PolarHBondContact O-N 3.09Å |
| 152 | A | 90.6 | Very high | 90.6 | Very high | 58 Ų | 58 | 59.8 Ų | 59.8 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L148 W150 A156 | L148-A152 PolarHBondContact O-N 3.41Å; W150-A152 VanDerWaalsContact C-N 3.29Å; W150-A152 PolarHBondContact O-N 3.49Å; A152-A156 WeakPolarHBondContact O-CB 3.17Å; A152-A156 PolarHBondContact O-N 3.14Å |
| 153 | L | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.7 | -43.5 | 178 | -172.6 | 68.2 | 0 | 0 | 0 | 111.5 | Y49 F63 V66 L67 W150 L151 A156 G157 | Y49-L153 HydrophobicContact CD2-CD2 3.94Å; Y49-L153 HydrophobicContact CE2-CD2 4.22Å; F63-L153 HydrophobicContact CD2-CB 4.03Å; F63-L153 HydrophobicContact CD2-CD1 3.93Å; F63-L153 HydrophobicContact CD2-CD2 4.29Å; F63-L153 HydrophobicContact CD2-CG 4.32Å; F63-L153 HydrophobicContact CE2-CB 3.76Å; F63-L153 HydrophobicContact CE2-CD1 3.9Å; F63-L153 HydrophobicContact CE2-CG 4.35Å; F63-L153 HydrophobicContact CG-CD1 4.33Å; F63-L153 HydrophobicContact CZ-CD1 4.26Å; V66-L153 HydrophobicContact CB-CD1 4.19Å; V66-L153 HydrophobicContact CB-CD2 3.93Å; V66-L153 HydrophobicContact CB-CG 4.47Å; V66-L153 HydrophobicContact CG1-CD1 4.06Å; V66-L153 HydrophobicContact CG1-CD2 3.8Å; V66-L153 HydrophobicContact CG1-CG 4.05Å; V66-L153 HydrophobicContact CG2-CD2 4.36Å; L67-L153 HydrophobicContact CB-CD1 4.18Å; W150-L153 HydrophobicContact CE3-CD2 3.9Å; W150-L153 HydrophobicContact CZ3-CD2 3.98Å; W150-L153 WeakPolarHBondContact O-CB 3.11Å; W150-L153 PolarHBondContact O-N 2.97Å; W150-L153 VanDerWaalsContact O-N 3.12Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 2.83Å; L153-A156 PolarHBondContact O-N 2.95Å; L153-G157 PolarHBondContact O-N 3.11Å |
| 154 | V | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | Y49 W135 F138 F139 T142 W150 L151 A156 G157 I158 | Y49-V154 HydrophobicContact CE2-CG2 3.8Å; Y49-V154 WeakPolarHBondContact OH-CG2 3.4Å; W135-V154 HydrophobicContact CE3-CB 4.39Å; W135-V154 HydrophobicContact CE3-CG1 4.16Å; W135-V154 HydrophobicContact CE3-CG2 4.28Å; W135-V154 HydrophobicContact CZ3-CG2 4.17Å; W135-V154 WeakPolarHBondContact O-CG1 3.34Å; F138-V154 HydrophobicContact CB-CG1 4.42Å; F138-V154 HydrophobicContact CB-CG2 4.23Å; F139-V154 HydrophobicContact CB-CG1 3.57Å; F139-V154 HydrophobicContact CD2-CG1 4.2Å; F139-V154 HydrophobicContact CG-CG1 4.4Å; T142-V154 HydrophobicContact CG2-CG2 4.27Å; W150-V154 WeakPolarHBondContact O-CG2 3.1Å; W150-V154 PolarHBondContact O-N 3.12Å; L151-V154 PolarHBondContact O-N 3.26Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 3.29Å; V154-G157 PolarHBondContact O-N 3.49Å; V154-I158 HydrophobicContact CG1-CD1 4.07Å; V154-I158 HydrophobicContact CG1-CG1 4.48Å; V154-I158 WeakPolarHBondContact O-CG1 3.41Å; V154-I158 PolarHBondContact O-N 3.43Å |
| 155 | V | 94.5 | Very high | 91.1 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 174.8 | 169.8 | 0 | 0 | 0 | 0 | 110.4 | F139 L151 G157 I158 S159 | F139-V155 HydrophobicContact CD2-CG2 4.13Å; F139-V155 HydrophobicContact CE2-CG2 3.84Å; L151-V155 WeakPolarHBondContact O-CB 3.43Å; L151-V155 VanDerWaalsContact O-CG2 3.28Å; L151-V155 WeakPolarHBondContact O-CG2 3.44Å; L151-V155 PolarHBondContact O-N 3.09Å; V155-G157 VanDerWaalsContact C-N 3.32Å; V155-G157 PolarHBondContact O-N 3.29Å; V155-I158 PolarHBondContact O-N 3.01Å; V155-S159 PolarHBondContact O-N 3.44Å; V155-S159 PolarHBondContact O-OG 3.41Å |
| 156 | A | 94.1 | Very high | 91.4 | Very high | 31 Ų | 31 | 55.3 Ų | 55.3 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L67 A152 L153 V154 S159 L160 | L67-A156 HydrophobicContact CD1-CB 4.38Å; A152-A156 WeakPolarHBondContact O-CB 3.17Å; A152-A156 PolarHBondContact O-N 3.14Å; L153-A156 PolarHBondContact O-N 2.95Å; V154-A156 VanDerWaalsContact C-N 3.34Å; V154-A156 PolarHBondContact O-N 3.29Å; A156-S159 PolarHBondContact O-N 2.9Å; A156-L160 WeakPolarHBondContact O-CG 3.32Å; A156-L160 PolarHBondContact O-N 3.28Å |
| 157 | G | 93.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -47.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L153 V154 V155 Q161 | L153-G157 PolarHBondContact O-N 3.11Å; V154-G157 PolarHBondContact O-N 3.49Å; V155-G157 VanDerWaalsContact C-N 3.32Å; V155-G157 PolarHBondContact O-N 3.29Å; G157-Q161 VanDerWaalsContact O-CG 3.31Å; G157-Q161 WeakPolarHBondContact O-CG 3.26Å; G157-Q161 PolarHBondContact O-N 3.48Å |
| 158 | I | 95.1 | Very high | 92.2 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.3 | -48.8 | 175.9 | -67.3 | 172.1 | 0 | 0 | 0 | 110.4 | W135 V136 F139 V154 V155 L160 Q161 V162 | W135-I158 HydrophobicContact CB-CG1 3.76Å; V136-I158 HydrophobicContact CG2-CD1 4.13Å; F139-I158 HydrophobicContact CB-CD1 3.76Å; F139-I158 HydrophobicContact CD2-CD1 4.32Å; F139-I158 HydrophobicContact CG-CD1 4.15Å; V154-I158 HydrophobicContact CG1-CD1 4.07Å; V154-I158 HydrophobicContact CG1-CG1 4.48Å; V154-I158 WeakPolarHBondContact O-CG1 3.41Å; V154-I158 PolarHBondContact O-N 3.43Å; V155-I158 PolarHBondContact O-N 3.01Å; I158-L160 PolarHBondContact O-N 3.36Å; I158-Q161 PolarHBondContact O-N 3.25Å; I158-V162 HydrophobicContact CG2-CG2 3.88Å; I158-V162 WeakPolarHBondContact O-CB 3.02Å; I158-V162 VanDerWaalsContact O-CG2 3.26Å; I158-V162 WeakPolarHBondContact O-CG2 3.42Å; I158-V162 PolarHBondContact O-N 3.13Å |
| 159 | S | 95.8 | Very high | 92.6 | Very high | 68 Ų | 68 | 42 Ų | 42 | 48% | 0.476 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.2 | -45.6 | -177.8 | -61 | 0 | 0 | 0 | 0 | 112.4 | V155 A156 A163 | V155-S159 PolarHBondContact O-N 3.44Å; V155-S159 PolarHBondContact O-OG 3.41Å; A156-S159 PolarHBondContact O-N 2.9Å; S159-A163 WeakPolarHBondContact O-CB 3.45Å; S159-A163 PolarHBondContact O-N 3.34Å |
| 160 | L | 93.4 | Very high | 92.8 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.4 | -70.8 | 170.9 | 0 | 0 | 0 | 111.7 | L70 F74 A156 I158 N164 | L70-L160 HydrophobicContact CB-CD1 4.04Å; F74-L160 HydrophobicContact CB-CB 4.37Å; F74-L160 HydrophobicContact CB-CD2 4.28Å; F74-L160 HydrophobicContact CD1-CD2 4.37Å; F74-L160 HydrophobicContact CD2-CB 3.99Å; F74-L160 HydrophobicContact CD2-CD2 3.88Å; F74-L160 VanDerWaalsContact CD2-O 3.29Å; F74-L160 WeakPolarHBondContact CD2-O 3.21Å; F74-L160 HydrophobicContact CE2-CD2 4.34Å; F74-L160 HydrophobicContact CG-CB 4.44Å; F74-L160 HydrophobicContact CG-CD2 3.9Å; A156-L160 WeakPolarHBondContact O-CG 3.32Å; A156-L160 PolarHBondContact O-N 3.28Å; I158-L160 PolarHBondContact O-N 3.36Å; L160-N164 PolarHBondContact O-N 3.05Å |
| 161 | Q | 93.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71 | -39.4 | -179.8 | -62.2 | -61.9 | 53.3 | 0 | 0 | 112.8 | D73 C131 P132 G157 I158 N164 L165 | D73-Q161 PolarHBondContact OD2-NE2 3.23Å; D73-Q161 PolarHBondContact OD2-OE1 3.09Å; C131-Q161 PolarHBondContact SG-NE2 3.08Å; P132-Q161 HydrophobicContact CB-CB 4.04Å; P132-Q161 HydrophobicContact CG-CB 4.42Å; G157-Q161 VanDerWaalsContact O-CG 3.31Å; G157-Q161 WeakPolarHBondContact O-CG 3.26Å; G157-Q161 PolarHBondContact O-N 3.48Å; I158-Q161 PolarHBondContact O-N 3.25Å; Q161-N164 PolarHBondContact O-N 3.02Å; Q161-L165 WeakPolarHBondContact O-CB 3.27Å; Q161-L165 PolarHBondContact O-N 3.31Å |
| 162 | V | 94.2 | Very high | 92.5 | Very high | 70 Ų | 70 | 39 Ų | 39 | 42% | 0.424 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 111 | I158 N164 L165 Y166 | I158-V162 HydrophobicContact CG2-CG2 3.88Å; I158-V162 WeakPolarHBondContact O-CB 3.02Å; I158-V162 VanDerWaalsContact O-CG2 3.26Å; I158-V162 WeakPolarHBondContact O-CG2 3.42Å; I158-V162 PolarHBondContact O-N 3.13Å; V162-N164 VanDerWaalsContact C-N 3.33Å; V162-N164 PolarHBondContact O-N 3.37Å; V162-L165 PolarHBondContact O-N 2.86Å; V162-Y166 VanDerWaalsContact O-CB 3.31Å; V162-Y166 WeakPolarHBondContact O-CB 3.48Å; V162-Y166 PolarHBondContact O-N 3.38Å |
| 163 | A | 93.8 | Very high | 92.1 | Very high | 41 Ų | 41 | 42 Ų | 42 | 34% | 0.339 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | F74 S159 G167 | F74-A163 HydrophobicContact CE2-CB 4.14Å; S159-A163 WeakPolarHBondContact O-CB 3.45Å; S159-A163 PolarHBondContact O-N 3.34Å; A163-G167 PolarHBondContact O-N 3.38Å; A163-G167 VanDerWaalsContact O-N 3.13Å |
| 164 | N | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -50.1 | 173.9 | -87.5 | -32.9 | 0 | 0 | 0 | 111.7 | F74 V77 L128 L160 Q161 V162 Y166 G167 Y168 | F74-N164 WeakPolarHBondContact CD2-ND2 3.41Å; F74-N164 PolarHBondContact O-ND2 3.27Å; V77-N164 HydrophobicContact CG1-CB 4.05Å; L128-N164 HydrophobicContact CD1-CB 4.06Å; L160-N164 PolarHBondContact O-N 3.05Å; Q161-N164 PolarHBondContact O-N 3.02Å; V162-N164 VanDerWaalsContact C-N 3.33Å; V162-N164 PolarHBondContact O-N 3.37Å; N164-Y166 VanDerWaalsContact C-N 3.33Å; N164-Y166 PolarHBondContact O-N 2.63Å; N164-G167 PolarHBondContact O-N 3.03Å; N164-Y168 HydrophobicContact CB-CD2 4.41Å; N164-Y168 HydrophobicContact CB-CE2 4.31Å; N164-Y168 WeakPolarHBondContact O-CD2 3.28Å; N164-Y168 PolarHBondContact O-N 3.08Å |
| 165 | L | 93.9 | Very high | 90.1 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 19% | 0.188 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.9 | -48.9 | -179.8 | 178.2 | 61.7 | 0 | 0 | 0 | 111.7 | L128 I129 Q161 V162 Y168 I169 | L128-L165 HydrophobicContact CD2-CD1 3.9Å; L128-L165 HydrophobicContact CG-CB 4.25Å; L128-L165 HydrophobicContact CG-CD1 3.84Å; I129-L165 HydrophobicContact CG1-CD1 4.18Å; Q161-L165 WeakPolarHBondContact O-CB 3.27Å; Q161-L165 PolarHBondContact O-N 3.31Å; V162-L165 PolarHBondContact O-N 2.86Å; L165-Y168 PolarHBondContact O-N 2.93Å; L165-I169 HydrophobicContact CD1-CD1 3.8Å; L165-I169 HydrophobicContact CD1-CG1 4.17Å; L165-I169 HydrophobicContact CG-CD1 3.82Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.08Å; L165-I169 PolarHBondContact O-N 2.79Å |
| 166 | Y | 93.3 | Very high | 88.7 | Confident | 149 Ų | 149 | 45.9 Ų | 45.9 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 179 | -175.6 | -105.3 | 0 | 0 | 0 | 112 | V162 N164 Y168 I169 L170 | V162-Y166 VanDerWaalsContact O-CB 3.31Å; V162-Y166 WeakPolarHBondContact O-CB 3.48Å; V162-Y166 PolarHBondContact O-N 3.38Å; N164-Y166 VanDerWaalsContact C-N 3.33Å; N164-Y166 PolarHBondContact O-N 2.63Å; Y166-Y168 VanDerWaalsContact C-N 3.32Å; Y166-Y168 PolarHBondContact O-N 3.27Å; Y166-I169 PolarHBondContact O-N 3.39Å; Y166-L170 HydrophobicContact CD1-CD1 3.92Å; Y166-L170 HydrophobicContact CE1-CD1 3.35Å; Y166-L170 HydrophobicContact CE1-CG 4.23Å; Y166-L170 HydrophobicContact CE2-CD1 4.38Å; Y166-L170 PolarHBondContact O-N 3.1Å |
| 167 | G | 92.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A163 N164 C171 | A163-G167 PolarHBondContact O-N 3.38Å; A163-G167 VanDerWaalsContact O-N 3.13Å; N164-G167 PolarHBondContact O-N 3.03Å; G167-C171 PolarHBondContact O-N 3.41Å; G167-C171 VanDerWaalsContact O-N 3.11Å; G167-C171 PolarHBondContact O-SG 3.11Å |
| 168 | Y | 91.9 | Very high | 86 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.3 | -35.3 | 178.2 | -73 | -64.5 | 0 | 0 | 0 | 113.5 | V77 K78 L88 W90 F124 W125 L128 N164 L165 Y166 L170 C171 K172 | V77-Y168 HydrophobicContact CG1-CE2 3.84Å; V77-Y168 PolarHBondContact O-OH 3.12Å; K78-Y168 WeakPolarHBondContact CA-OH 3.41Å; K78-Y168 PolarHBondContact O-OH 3.32Å; K78-Y168 VanDerWaalsContact O-OH 3.09Å; L88-Y168 HydrophobicContact CB-CD1 3.69Å; L88-Y168 HydrophobicContact CB-CE1 3.86Å; L88-Y168 HydrophobicContact CD1-CD1 4.01Å; L88-Y168 HydrophobicContact CG-CD1 4.49Å; W90-Y168 AromaticContact NE1-CE2 3.71Å; W90-Y168 AromaticContact NE1-CZ 3.84Å; F124-Y168 HydrophobicContact CE1-CD1 4.32Å; F124-Y168 HydrophobicContact CE1-CD2 4.32Å; F124-Y168 HydrophobicContact CE1-CG 4.16Å; F124-Y168 HydrophobicContact CZ-CD1 4.07Å; F124-Y168 AromaticContact CZ-CD2 3.81Å; F124-Y168 HydrophobicContact CZ-CD2 3.81Å; F124-Y168 HydrophobicContact CZ-CE1 4.03Å; F124-Y168 AromaticContact CZ-CE2 3.82Å; F124-Y168 HydrophobicContact CZ-CE2 3.82Å; F124-Y168 AromaticContact CZ-CG 3.99Å; F124-Y168 HydrophobicContact CZ-CG 3.99Å; F124-Y168 AromaticContact CZ-CZ 3.92Å; W125-Y168 WeakPolarHBondContact CH2-O 3.47Å; L128-Y168 HydrophobicContact CD1-CD2 4.39Å; L128-Y168 HydrophobicContact CD2-CD2 3.87Å; L128-Y168 HydrophobicContact CD2-CG 4.19Å; N164-Y168 HydrophobicContact CB-CD2 4.41Å; N164-Y168 HydrophobicContact CB-CE2 4.31Å; N164-Y168 WeakPolarHBondContact O-CD2 3.28Å; N164-Y168 PolarHBondContact O-N 3.08Å; L165-Y168 PolarHBondContact O-N 2.93Å; Y166-Y168 VanDerWaalsContact C-N 3.32Å; Y166-Y168 PolarHBondContact O-N 3.27Å; Y168-L170 VanDerWaalsContact C-N 3.3Å; Y168-L170 PolarHBondContact O-N 3.13Å; Y168-C171 WeakPolarHBondContact O-CB 3.09Å; Y168-C171 PolarHBondContact O-N 3.5Å; Y168-K172 PolarHBondContact O-N 3.37Å |
| 169 | I | 91.4 | Very high | 84.4 | Confident | 72 Ų | 72 | 53.8 Ų | 53.8 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -44.8 | 173.1 | -73.3 | 170.7 | 0 | 0 | 0 | 110 | W125 L165 Y166 C171 K172 M173 | W125-I169 HydrophobicContact CZ3-CG1 4.35Å; L165-I169 HydrophobicContact CD1-CD1 3.8Å; L165-I169 HydrophobicContact CD1-CG1 4.17Å; L165-I169 HydrophobicContact CG-CD1 3.82Å; L165-I169 VanDerWaalsContact O-CG1 3.29Å; L165-I169 WeakPolarHBondContact O-CG1 3.08Å; L165-I169 PolarHBondContact O-N 2.79Å; Y166-I169 PolarHBondContact O-N 3.39Å; I169-C171 PolarHBondContact O-N 3.31Å; I169-K172 PolarHBondContact O-N 2.92Å; I169-K172 VanDerWaalsContact O-N 3.14Å; I169-M173 HydrophobicContact CG2-CG 4.38Å; I169-M173 HydrophobicContact CG2-SD 3.72Å; I169-M173 WeakPolarHBondContact O-CG 3.35Å; I169-M173 PolarHBondContact O-N 2.75Å |
| 170 | L | 88.8 | Confident | 82.7 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 176.3 | -71 | 179.8 | 0 | 0 | 0 | 112.6 | F104 Y166 Y168 K172 M173 G174 | F104-L170 HydrophobicContact CD1-CB 3.73Å; F104-L170 HydrophobicContact CD2-CB 4.49Å; F104-L170 HydrophobicContact CE1-CB 3.46Å; F104-L170 VanDerWaalsContact CE1-CB 3.46Å; F104-L170 HydrophobicContact CE1-CD1 3.76Å; F104-L170 HydrophobicContact CE1-CG 4.28Å; F104-L170 HydrophobicContact CE2-CB 4.24Å; F104-L170 HydrophobicContact CE2-CD1 4.05Å; F104-L170 HydrophobicContact CG-CB 4.27Å; F104-L170 HydrophobicContact CZ-CB 3.75Å; F104-L170 HydrophobicContact CZ-CD1 3.34Å; F104-L170 HydrophobicContact CZ-CG 4.2Å; Y166-L170 HydrophobicContact CD1-CD1 3.92Å; Y166-L170 HydrophobicContact CE1-CD1 3.35Å; Y166-L170 HydrophobicContact CE1-CG 4.23Å; Y166-L170 HydrophobicContact CE2-CD1 4.38Å; Y166-L170 PolarHBondContact O-N 3.1Å; Y168-L170 VanDerWaalsContact C-N 3.3Å; Y168-L170 PolarHBondContact O-N 3.13Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 2.83Å; L170-M173 PolarHBondContact O-N 2.95Å; L170-G174 PolarHBondContact O-N 3.49Å |
| 171 | C | 86.8 | Confident | 81.3 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.014 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 170.5 | -73.9 | 0 | 0 | 0 | 0 | 112.6 | L88 R89 G167 Y168 I169 G175 | L88-C171 HydrophobicContact CB-CB 4.06Å; L88-C171 HydrophobicContact CD1-CB 4Å; L88-C171 HydrophobicContact CD2-CB 4.11Å; L88-C171 HydrophobicContact CG-CB 4.27Å; R89-C171 PolarHBondContact O-SG 3.45Å; R89-C171 VanDerWaalsContact O-SG 3.38Å; G167-C171 PolarHBondContact O-N 3.41Å; G167-C171 VanDerWaalsContact O-N 3.11Å; G167-C171 PolarHBondContact O-SG 3.11Å; Y168-C171 WeakPolarHBondContact O-CB 3.09Å; Y168-C171 PolarHBondContact O-N 3.5Å; I169-C171 PolarHBondContact O-N 3.31Å; C171-G175 PolarHBondContact O-N 2.7Å |
| 172 | K | 85.1 | Confident | 80.1 | Confident | 106 Ų | 106 | 61.5 Ų | 61.5 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.7 | -42.2 | -178.3 | -174.5 | 171.7 | -177.1 | 170.5 | 0 | 112 | W125 Y168 I169 L170 N176 | W125-K172 HydrophobicContact CH2-CB 4.08Å; W125-K172 HydrophobicContact CH2-CD 3.94Å; W125-K172 HydrophobicContact CZ2-CB 4.14Å; W125-K172 HydrophobicContact CZ2-CD 3.67Å; W125-K172 HydrophobicContact CZ2-CG 4.41Å; Y168-K172 PolarHBondContact O-N 3.37Å; I169-K172 PolarHBondContact O-N 2.92Å; I169-K172 VanDerWaalsContact O-N 3.14Å; L170-K172 VanDerWaalsContact C-N 3.31Å; L170-K172 PolarHBondContact O-N 2.83Å; K172-N176 PolarHBondContact O-N 2.72Å |
| 173 | M | 81.7 | Confident | 78.7 | Confident | 122 Ų | 122 | 61.6 Ų | 61.6 | 60% | 0.601 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 176.7 | -72.3 | 171.8 | 53.4 | 0 | 0 | 111.9 | I169 L170 S177 | I169-M173 HydrophobicContact CG2-CG 4.38Å; I169-M173 HydrophobicContact CG2-SD 3.72Å; I169-M173 WeakPolarHBondContact O-CG 3.35Å; I169-M173 PolarHBondContact O-N 2.75Å; L170-M173 PolarHBondContact O-N 2.95Å; M173-S177 PolarHBondContact O-N 3.21Å |
| 174 | G | 76 | Confident | 77.4 | Confident | 29 Ų | 29 | 62.3 Ų | 62.3 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L170 N176 S177 D178 | L170-G174 PolarHBondContact O-N 3.49Å; G174-N176 VanDerWaalsContact C-N 3.33Å; G174-N176 PolarHBondContact O-N 2.89Å; G174-S177 PolarHBondContact O-N 2.94Å; G174-S177 VanDerWaalsContact O-N 3.1Å; G174-S177 PolarHBondContact O-OG 3.46Å; G174-D178 PolarHBondContact O-N 2.81Å |
| 175 | G | 67.5 | Low | 76.1 | Confident | 17 Ų | 17 | 65 Ų | 65 | 18% | 0.175 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60 | -37 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C171 S177 I179 | C171-G175 PolarHBondContact O-N 2.7Å; G175-S177 VanDerWaalsContact C-N 3.35Å; G175-I179 PolarHBondContact O-N 2.96Å |
| 176 | N | 66.4 | Low | 75.1 | Confident | 100 Ų | 100 | 69.1 Ų | 69.1 | 54% | 0.535 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68 | -34.7 | 176.8 | -80 | 4.7 | 0 | 0 | 0 | 112.5 | K172 G174 D178 I179 S180 | K172-N176 PolarHBondContact O-N 2.72Å; G174-N176 VanDerWaalsContact C-N 3.33Å; G174-N176 PolarHBondContact O-N 2.89Å; N176-D178 VanDerWaalsContact C-N 3.35Å; N176-D178 PolarHBondContact O-N 3.47Å; N176-I179 PolarHBondContact O-N 3.45Å; N176-S180 PolarHBondContact O-N 2.91Å; N176-S180 VanDerWaalsContact O-N 3.13Å; N176-S180 PolarHBondContact O-OG 3.33Å |
| 177 | S | 65.7 | Low | 74.2 | Confident | 51 Ų | 51 | 67 Ų | 67 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.3 | -34 | -179.5 | 73 | 0 | 0 | 0 | 0 | 112.6 | M173 G174 G175 K181 | M173-S177 PolarHBondContact O-N 3.21Å; G174-S177 PolarHBondContact O-N 2.94Å; G174-S177 VanDerWaalsContact O-N 3.1Å; G174-S177 PolarHBondContact O-OG 3.46Å; G175-S177 VanDerWaalsContact C-N 3.35Å; S177-K181 WeakPolarHBondContact O-CG 3.43Å; S177-K181 PolarHBondContact O-N 2.91Å; S177-K181 VanDerWaalsContact O-N 3.17Å |
| 178 | D | 64.8 | Low | 73.1 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.9 | -37.5 | 175.5 | -70.6 | -27.9 | 0 | 0 | 0 | 112.2 | G174 N176 K181 V182 | G174-D178 PolarHBondContact O-N 2.81Å; N176-D178 VanDerWaalsContact C-N 3.35Å; N176-D178 PolarHBondContact O-N 3.47Å; D178-K181 PolarHBondContact O-N 3.06Å; D178-V182 VanDerWaalsContact O-CG2 3.28Å; D178-V182 WeakPolarHBondContact O-CG2 3.36Å; D178-V182 PolarHBondContact O-N 3.05Å |
| 179 | I | 62 | Low | 71.7 | Confident | 88 Ų | 88 | 76.6 Ų | 76.6 | 45% | 0.451 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 174.7 | -65.2 | 169.9 | 0 | 0 | 0 | 110.3 | G175 N176 K181 V182 T183 | G175-I179 PolarHBondContact O-N 2.96Å; N176-I179 PolarHBondContact O-N 3.45Å; I179-K181 VanDerWaalsContact C-N 3.32Å; I179-K181 PolarHBondContact O-N 2.7Å; I179-V182 PolarHBondContact O-N 3.47Å; I179-T183 PolarHBondContact O-N 3.17Å; I179-T183 PolarHBondContact O-OG1 2.88Å; I179-T183 VanDerWaalsContact O-OG1 3.08Å |
| 180 | S | 59.7 | Low | 70.5 | Confident | 80 Ų | 80 | 77 Ų | 77 | 56% | 0.559 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.1 | -39.7 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 112.6 | N176 A184 | N176-S180 PolarHBondContact O-N 2.91Å; N176-S180 VanDerWaalsContact O-N 3.13Å; N176-S180 PolarHBondContact O-OG 3.33Å; S180-A184 WeakPolarHBondContact O-CB 3.49Å; S180-A184 PolarHBondContact O-N 2.89Å |
| 181 | K | 64.1 | Low | 69.3 | Low | 138 Ų | 138 | 79.8 Ų | 79.8 | 60% | 0.6 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 176.1 | -72.1 | 171.5 | -174.6 | 169.3 | 0 | 112.3 | S177 D178 I179 A184 S185 | S177-K181 WeakPolarHBondContact O-CG 3.43Å; S177-K181 PolarHBondContact O-N 2.91Å; S177-K181 VanDerWaalsContact O-N 3.17Å; D178-K181 PolarHBondContact O-N 3.06Å; I179-K181 VanDerWaalsContact C-N 3.32Å; I179-K181 PolarHBondContact O-N 2.7Å; K181-A184 PolarHBondContact O-N 3.3Å; K181-S185 WeakPolarHBondContact O-CB 3.2Å; K181-S185 PolarHBondContact O-N 3.18Å; K181-S185 PolarHBondContact O-OG 3.24Å |
| 182 | V | 68.6 | Low | 68.1 | Low | 57 Ų | 57 | 87 Ų | 87 | 35% | 0.345 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -47.6 | 178.8 | 172.6 | 0 | 0 | 0 | 0 | 110.4 | D178 I179 A184 S185 F186 | D178-V182 VanDerWaalsContact O-CG2 3.28Å; D178-V182 WeakPolarHBondContact O-CG2 3.36Å; D178-V182 PolarHBondContact O-N 3.05Å; I179-V182 PolarHBondContact O-N 3.47Å; V182-A184 PolarHBondContact O-N 2.94Å; V182-S185 PolarHBondContact O-N 3.43Å; V182-S185 PolarHBondContact O-OG 3.38Å; V182-F186 HydrophobicContact CG1-CD2 3.68Å; V182-F186 HydrophobicContact CG1-CE2 3.31Å; V182-F186 HydrophobicContact CG1-CZ 4.45Å; V182-F186 WeakPolarHBondContact O-CD2 3.4Å; V182-F186 PolarHBondContact O-N 3.36Å |
| 183 | T | 64.3 | Low | 66.8 | Low | 71 Ų | 71 | 89.3 Ų | 89.3 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 176.5 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | I179 S185 F186 L187 | I179-T183 PolarHBondContact O-N 3.17Å; I179-T183 PolarHBondContact O-OG1 2.88Å; I179-T183 VanDerWaalsContact O-OG1 3.08Å; T183-S185 VanDerWaalsContact C-N 3.34Å; T183-S185 PolarHBondContact O-N 3.02Å; T183-F186 PolarHBondContact O-N 2.87Å; T183-L187 HydrophobicContact CG2-CD1 4.06Å; T183-L187 HydrophobicContact CG2-CG 4.38Å; T183-L187 WeakPolarHBondContact O-CB 3.43Å; T183-L187 WeakPolarHBondContact O-CG 3.23Å; T183-L187 PolarHBondContact O-N 3.44Å |
| 184 | A | 66.1 | Low | 65.6 | Low | 56 Ų | 56 | 88.8 Ų | 88.8 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S180 K181 V182 S188 | S180-A184 WeakPolarHBondContact O-CB 3.49Å; S180-A184 PolarHBondContact O-N 2.89Å; K181-A184 PolarHBondContact O-N 3.3Å; V182-A184 PolarHBondContact O-N 2.94Å; A184-S188 VanDerWaalsContact O-CB 3.23Å; A184-S188 WeakPolarHBondContact O-CB 3.24Å; A184-S188 PolarHBondContact O-N 3.48Å |
| 185 | S | 67.8 | Low | 64.3 | Low | 58 Ų | 58 | 90.9 Ų | 90.9 | 41% | 0.406 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -36.9 | 176.9 | 70.9 | 0 | 0 | 0 | 0 | 112.8 | K181 V182 T183 Q189 | K181-S185 WeakPolarHBondContact O-CB 3.2Å; K181-S185 PolarHBondContact O-N 3.18Å; K181-S185 PolarHBondContact O-OG 3.24Å; V182-S185 PolarHBondContact O-N 3.43Å; V182-S185 PolarHBondContact O-OG 3.38Å; T183-S185 VanDerWaalsContact C-N 3.34Å; T183-S185 PolarHBondContact O-N 3.02Å; S185-Q189 WeakPolarHBondContact O-CG 3.45Å; S185-Q189 PolarHBondContact O-N 2.99Å |
| 186 | F | 71.6 | Confident | 63.6 | Low | 121 Ų | 121 | 94.2 Ų | 94.2 | 53% | 0.531 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.1 | -43.4 | 175.6 | -73.9 | -60.2 | 0 | 0 | 0 | 112.1 | V182 T183 S188 Q189 T190 | V182-F186 HydrophobicContact CG1-CD2 3.68Å; V182-F186 HydrophobicContact CG1-CE2 3.31Å; V182-F186 HydrophobicContact CG1-CZ 4.45Å; V182-F186 WeakPolarHBondContact O-CD2 3.4Å; V182-F186 PolarHBondContact O-N 3.36Å; T183-F186 PolarHBondContact O-N 2.87Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.42Å; F186-Q189 PolarHBondContact O-N 3.03Å; F186-T190 PolarHBondContact O-N 2.88Å; F186-T190 PolarHBondContact O-OG1 2.72Å |
| 187 | L | 75.2 | Confident | 62.5 | Low | 106 Ų | 106 | 94.4 Ų | 94.4 | 56% | 0.555 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | 173.6 | -73.5 | 173.1 | 0 | 0 | 0 | 111.5 | T183 T190 V191 | T183-L187 HydrophobicContact CG2-CD1 4.06Å; T183-L187 HydrophobicContact CG2-CG 4.38Å; T183-L187 WeakPolarHBondContact O-CB 3.43Å; T183-L187 WeakPolarHBondContact O-CG 3.23Å; T183-L187 PolarHBondContact O-N 3.44Å; L187-T190 PolarHBondContact O-N 3.5Å; L187-V191 WeakPolarHBondContact O-CB 3.38Å; L187-V191 VanDerWaalsContact O-CG2 3.24Å; L187-V191 WeakPolarHBondContact O-CG2 3.26Å; L187-V191 PolarHBondContact O-N 2.75Å |
| 188 | S | 68.8 | Low | 61.9 | Low | 80 Ų | 80 | 95.4 Ų | 95.4 | 56% | 0.559 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.7 | -43.8 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | A184 F186 V191 F192 | A184-S188 VanDerWaalsContact O-CB 3.23Å; A184-S188 WeakPolarHBondContact O-CB 3.24Å; A184-S188 PolarHBondContact O-N 3.48Å; F186-S188 VanDerWaalsContact C-N 3.3Å; F186-S188 PolarHBondContact O-N 3.42Å; S188-V191 PolarHBondContact O-N 3.23Å; S188-F192 VanDerWaalsContact O-CB 3.25Å; S188-F192 WeakPolarHBondContact O-CB 3.42Å; S188-F192 PolarHBondContact O-N 2.97Å |
| 189 | Q | 64.1 | Low | 61.1 | Low | 122 Ų | 122 | 98.3 Ų | 98.3 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.3 | -40.7 | 174.9 | -77.8 | -177.9 | -5.2 | 0 | 0 | 112.8 | S185 F186 F192 Q193 | S185-Q189 WeakPolarHBondContact O-CG 3.45Å; S185-Q189 PolarHBondContact O-N 2.99Å; F186-Q189 PolarHBondContact O-N 3.03Å; Q189-F192 PolarHBondContact O-N 2.98Å; Q189-Q193 WeakPolarHBondContact O-CB 3.25Å; Q189-Q193 WeakPolarHBondContact O-CG 3.41Å; Q189-Q193 PolarHBondContact O-N 3.32Å |
| 190 | T | 65.7 | Low | 60.1 | Low | 81 Ų | 81 | 103.8 Ų | 103.8 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69 | -39.5 | 178.3 | -48.1 | 0 | 0 | 0 | 0 | 111.9 | F186 L187 Q193 T194 | F186-T190 PolarHBondContact O-N 2.88Å; F186-T190 PolarHBondContact O-OG1 2.72Å; L187-T190 PolarHBondContact O-N 3.5Å; T190-Q193 PolarHBondContact O-N 3.5Å; T190-T194 WeakPolarHBondContact O-CB 3.49Å; T190-T194 PolarHBondContact O-N 2.88Å; T190-T194 PolarHBondContact O-OG1 3.3Å |
| 191 | V | 64.2 | Low | 59.1 | Low | 99 Ų | 99 | 107.8 Ų | 107.8 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -68.1 | -40.7 | 175.5 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | L187 S188 Q193 T194 A195 | L187-V191 WeakPolarHBondContact O-CB 3.38Å; L187-V191 VanDerWaalsContact O-CG2 3.24Å; L187-V191 WeakPolarHBondContact O-CG2 3.26Å; L187-V191 PolarHBondContact O-N 2.75Å; S188-V191 PolarHBondContact O-N 3.23Å; V191-Q193 PolarHBondContact O-N 3.46Å; V191-T194 PolarHBondContact O-N 3.48Å; V191-A195 VanDerWaalsContact O-CB 3.26Å; V191-A195 WeakPolarHBondContact O-CB 3.42Å; V191-A195 PolarHBondContact O-N 2.86Å |
| 192 | F | 60.6 | Low | 58.1 | Low | 153 Ų | 153 | 110 Ų | 110 | 67% | 0.671 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66 | -36.7 | 175.9 | -165.7 | -98 | 0 | 0 | 0 | 112.4 | S188 Q189 A195 C196 | S188-F192 VanDerWaalsContact O-CB 3.25Å; S188-F192 WeakPolarHBondContact O-CB 3.42Å; S188-F192 PolarHBondContact O-N 2.97Å; Q189-F192 PolarHBondContact O-N 2.98Å; F192-A195 PolarHBondContact O-N 3.15Å; F192-C196 PolarHBondContact O-N 3.48Å |
| 193 | Q | 57.8 | Low | 56.7 | Low | 156 Ų | 156 | 112.9 Ų | 112.9 | 73% | 0.729 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.7 | -29.9 | 173.2 | -77.4 | -174.5 | -17.9 | 0 | 0 | 113.2 | Q189 T190 V191 | Q189-Q193 WeakPolarHBondContact O-CB 3.25Å; Q189-Q193 WeakPolarHBondContact O-CG 3.41Å; Q189-Q193 PolarHBondContact O-N 3.32Å; T190-Q193 PolarHBondContact O-N 3.5Å; V191-Q193 PolarHBondContact O-N 3.46Å |
| 194 | T | 57.5 | Low | 55.7 | Low | 110 Ų | 110 | 112.9 Ų | 112.9 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -81.4 | -24.2 | 176.7 | -48.9 | 0 | 0 | 0 | 0 | 112.1 | T190 V191 | T190-T194 WeakPolarHBondContact O-CB 3.49Å; T190-T194 PolarHBondContact O-N 2.88Å; T190-T194 PolarHBondContact O-OG1 3.3Å; V191-T194 PolarHBondContact O-N 3.48Å |
| 195 | A | 48.2 | Very low | 54.5 | Low | 73 Ų | 73 | 118.5 Ų | 118.5 | 60% | 0.603 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -87 | -2.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V191 F192 P197 | V191-A195 VanDerWaalsContact O-CB 3.26Å; V191-A195 WeakPolarHBondContact O-CB 3.42Å; V191-A195 PolarHBondContact O-N 2.86Å; F192-A195 PolarHBondContact O-N 3.15Å; A195-P197 WeakPolarHBondContact O-CD 3.21Å |
| 196 | C | 52.9 | Low | 53.4 | Low | 88 Ų | 88 | 124.9 Ų | 124.9 | 60% | 0.595 | 69% | 0.694 | S | S | * | * | trans | -110 | 70.4 | 166.9 | -79.4 | 0 | 0 | 0 | 0 | 110.9 | F192 G198 | F192-C196 PolarHBondContact O-N 3.48Å; C196-G198 PolarHBondContact O-N 3.36Å | ||
| 197 | P | 43.9 | Very low | 51.9 | Low | 104 Ų | 104 | 122.6 Ų | 122.6 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | trans | -66.2 | 130 | 155.2 | 31.2 | -27.9 | 0 | 0 | 0 | 106.7 | A195 D199 | A195-P197 WeakPolarHBondContact O-CD 3.21Å; P197-D199 PolarHBondContact O-N 3.45Å | ||
| 198 | G | 52.6 | Low | 50.1 | Low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 72% | 0.723 | S | S | * | * | trans | -59 | 130.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C196 | C196-G198 PolarHBondContact O-N 3.36Š| ||
| 199 | D | 47.3 | Very low | 48.7 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 81% | 0.813 | 73% | 0.733 | S | S | * | * | trans | -145.1 | 79.1 | 155.2 | -85 | -37.8 | 0 | 0 | 0 | 108.1 | P197 | P197-D199 PolarHBondContact O-N 3.45Š| ||
| 200 | F | 41.1 | Very low | 47.6 | Very low | 204 Ų | 204 | 130.3 Ų | 130.3 | 90% | 0.895 | 74% | 0.736 | S | S | * | * | trans | -99.5 | 81.3 | 157.7 | -146 | -87.6 | 0 | 0 | 0 | 107.4 | K202 | F200-K202 PolarHBondContact O-N 3.07Š| ||
| 201 | Q | 39.2 | Very low | 46.2 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -55.4 | 108.5 | 167.5 | -168.1 | 99.9 | -4.7 | 0 | 0 | 108.1 | P203 | Q201-P203 WeakPolarHBondContact O-CD 3.4Š| ||
| 202 | K | 43.8 | Very low | 44.7 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -70.1 | 123.1 | 163.7 | -77.8 | -178.8 | 177.9 | 176.1 | 0 | 107.9 | F200 G204 | F200-K202 PolarHBondContact O-N 3.07Å; K202-G204 PolarHBondContact O-N 3.26Å | ||
| 203 | P | 37.7 | Very low | 43.7 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | trans | -76.8 | 108.2 | 159.8 | 19.3 | -7.8 | 0 | 0 | 0 | 107.6 | Q201 | Q201-P203 WeakPolarHBondContact O-CD 3.4Š| ||
| 204 | G | 42.9 | Very low | 43 | Very low | 72 Ų | 72 | 142.1 Ų | 142.1 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -68.3 | 123.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | K202 | K202-G204 PolarHBondContact O-N 3.26Š| ||
| 205 | L | 41.4 | Very low | 42.2 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -120.2 | 101.3 | 160 | -138.1 | 81.5 | 0 | 0 | 0 | 106.7 | ||||
| 206 | E | 44.3 | Very low | 41.9 | Very low | 193 Ų | 193 | 147.7 Ų | 147.7 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -66.4 | 144 | 162.4 | -72 | -161.9 | 116.2 | 0 | 0 | 109.8 | ||||
| 207 | G | 41.4 | Very low | 41.3 | Very low | 72 Ų | 72 | 151.2 Ų | 151.2 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | trans | 81 | 93.4 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 208 | L | 36.8 | Very low | 41.1 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 95% | 0.953 | 82% | 0.823 | S | S | * | * | -146 | 136.3 | 125.3 | -134.2 | 107.4 | 0 | 0 | 0 | 111.7 | |||||
| 209 | E | 39.6 | Very low | 40.3 | Very low | 162 Ų | 162 | 159.7 Ų | 159.7 | 76% | 0.757 | 83% | 0.829 | S | S | * | * | trans | -71.7 | 144.9 | -165.7 | -83.7 | -179 | 122 | 0 | 0 | 116.1 | ||||
| 210 | I | 40.6 | Very low | 39.8 | Very low | 126 Ų | 126 | 160.2 Ų | 160.2 | 65% | 0.646 | 83% | 0.831 | S | S | * | * | 77.5 | 123.9 | 123.5 | -61.3 | 172.3 | 0 | 0 | 0 | 121.5 | |||||
| 211 | H | 36.1 | Very low | 39.7 | Very low | 162 Ų | 162 | 156.8 Ų | 156.8 | 75% | 0.75 | 83% | 0.826 | S | S | * | * | trans | 56.1 | 127.3 | 150.4 | -84.8 | -67.6 | 0 | 0 | 0 | 121.7 | ||||
| 212 | Q | 33.5 | Very low | 39.8 | Very low | 189 Ų | 189 | 156.3 Ų | 156.3 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | -162.7 | 157.6 | 95.1 | -110.3 | -165.9 | -23.2 | 0 | 0 | 113.6 | |||||
| 213 | H | 39.4 | Very low | 39.4 | Very low | 243 Ų | 243 | 153.8 Ų | 153.8 | 100% | 1.125 | 83% | 0.834 | S | S | * | * | trans | -58.4 | 0 | 173.1 | -100.4 | -90.1 | 0 | 0 | 0 | 113.9 |
Retrieved 213 of 213 residues in 602.8 ms
(Link to these results)