| 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 | 49.7 | Very low | 56.7 | Low | 243 Ų | 243 | 132.3 Ų | 132.3 | 100% | 1.197 | 84% | 0.837 | S | S | * | * | 0 | 107.4 | 0 | -74.6 | 174.4 | 169.6 | 0 | 0 | 107.8 | |||||
| 2 | V | 48.3 | Very low | 55.6 | Low | 144 Ų | 144 | 130 Ų | 130 | 87% | 0.873 | 83% | 0.828 | S | S | * | * | trans | -140.4 | 110 | 171.1 | 178.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | A | 57.4 | Low | 54.7 | Low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | -96.8 | 107.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | S5 | A3-S5 PolarHBondContact O-N 3.43Š| ||
| 4 | A | 71.4 | Confident | 53.5 | Low | 90 Ų | 90 | 129.1 Ų | 129.1 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | trans | -87.6 | 98.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | L6 | A4-L6 PolarHBondContact O-N 3.24Š| ||
| 5 | S | 61.7 | Low | 52.4 | Low | 116 Ų | 116 | 125.9 Ų | 125.9 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -76.2 | 100.8 | 169.2 | 55.8 | 0 | 0 | 0 | 0 | 108.9 | A3 G7 | A3-S5 PolarHBondContact O-N 3.43Å; S5-G7 PolarHBondContact O-N 3.2Å | ||
| 6 | L | 65.9 | Low | 51.4 | Low | 161 Ų | 161 | 128.8 Ų | 128.8 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -69.8 | 109.1 | 161.5 | -122.1 | 81 | 0 | 0 | 0 | 106.7 | A4 L8 | A4-L6 PolarHBondContact O-N 3.24Å; L6-L8 PolarHBondContact O-N 3.02Å | ||
| 7 | G | 54.9 | Low | 51.3 | Low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -58.9 | 107.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S5 | S5-G7 PolarHBondContact O-N 3.2Š| ||
| 8 | L | 58.6 | Low | 50.3 | Low | 158 Ų | 158 | 127.8 Ų | 127.8 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | trans | -63.6 | 133.4 | 158.4 | -91.4 | 86.8 | 0 | 0 | 0 | 107.6 | L6 A10 | L6-L8 PolarHBondContact O-N 3.02Å; L8-A10 PolarHBondContact O-N 3.02Å | ||
| 9 | P | 59.1 | Low | 49.3 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | trans | -63.2 | 109.2 | 166.8 | 26.5 | -30.3 | 0 | 0 | 0 | 107.4 | L11 | P9-L11 VanDerWaalsContact C-N 3.34Å; P9-L11 PolarHBondContact O-N 2.67Å | ||
| 10 | A | 50.2 | Low | 49.4 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -60.2 | 101.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | L8 S12 | L8-A10 PolarHBondContact O-N 3.02Å; A10-S12 PolarHBondContact O-N 2.97Å | ||
| 11 | L | 46.7 | Very low | 48.7 | Very low | 170 Ų | 170 | 124 Ų | 124 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 79.2 | 154.8 | -73.6 | 171.8 | 0 | 0 | 0 | 106.3 | P9 N13 | P9-L11 VanDerWaalsContact C-N 3.34Å; P9-L11 PolarHBondContact O-N 2.67Å; L11-N13 PolarHBondContact O-N 3.05Å | ||
| 12 | S | 43.1 | Very low | 48.2 | Very low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -62.6 | 85.8 | 163 | -69.5 | 0 | 0 | 0 | 0 | 107.7 | A10 | A10-S12 PolarHBondContact O-N 2.97Š| ||
| 13 | N | 44.2 | Very low | 47.8 | Very low | 162 Ų | 162 | 120.1 Ų | 120.1 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | -154.3 | 66.1 | 128.3 | -140.5 | 41 | 0 | 0 | 0 | 108.2 | L11 | L11-N13 PolarHBondContact O-N 3.05Š| |||
| 14 | A | 38.2 | Very low | 47.2 | Very low | 86 Ų | 86 | 120.9 Ų | 120.9 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -62.6 | 129.4 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 15 | A | 35.8 | Very low | 45.8 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | trans | 55.9 | 111 | 131 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 16 | E | 36.5 | Very low | 44.9 | Very low | 172 Ų | 172 | 127.4 Ų | 127.4 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 167.5 | 151 | 95.8 | -94.1 | -68.5 | 102.5 | 0 | 0 | 110.8 | |||||
| 17 | P | 50.8 | Low | 43.7 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 58% | 0.578 | 77% | 0.774 | S | S | * | * | trans | -91.4 | 143 | 179.5 | 36.1 | -26 | 0 | 0 | 0 | 110.8 | ||||
| 18 | N | 33.5 | Very low | 43.5 | Very low | 152 Ų | 152 | 131.6 Ų | 131.6 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 176.9 | 124.9 | 136.3 | -112.9 | -51.4 | 0 | 0 | 0 | 111.4 | ||||
| 19 | A | 31.4 | Very low | 42.6 | Very low | 84 Ų | 84 | 131 Ų | 131 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | 62 | 154.2 | 128.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 20 | P | 49.9 | Very low | 42.4 | Very low | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | trans | -108.6 | -175.7 | -144.3 | 41 | -33.3 | 0 | 0 | 0 | 114.1 | ||||
| 21 | A | 34.6 | Very low | 42.4 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | trans | 96.5 | 96.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 22 | K | 40.1 | Very low | 43 | Very low | 200 Ų | 200 | 127.4 Ų | 127.4 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | -161.1 | 111.5 | 121.5 | -139 | 168.6 | -177.3 | 178.7 | 0 | 111.2 | T24 | K22-T24 PolarHBondContact O-N 2.87Å; K22-T24 VanDerWaalsContact O-N 3.09Å | |||
| 23 | A | 39.2 | Very low | 43.9 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | -59.9 | 108.3 | 161 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 24 | T | 45.9 | Very low | 44.8 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | trans | -118.4 | 105 | 157.4 | -176.2 | 0 | 0 | 0 | 0 | 107 | K22 R26 | K22-T24 PolarHBondContact O-N 2.87Å; K22-T24 VanDerWaalsContact O-N 3.09Å; T24-R26 PolarHBondContact O-N 2.84Å | ||
| 25 | T | 41.4 | Very low | 46.3 | Very low | 128 Ų | 128 | 128.8 Ų | 128.8 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | -57.1 | 96.7 | 168.1 | 51.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 26 | R | 43.6 | Very low | 48.1 | Very low | 215 Ų | 215 | 132 Ų | 132 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -109.3 | 110.2 | 165.4 | -140.7 | 174.2 | -178.9 | 165.5 | -0.7 | 106.7 | T24 H28 | T24-R26 PolarHBondContact O-N 2.84Å; R26-H28 PolarHBondContact O-N 2.92Å | ||
| 27 | N | 40.9 | Very low | 49.7 | Very low | 158 Ų | 158 | 126 Ų | 126 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | trans | -56.6 | 81.3 | 173.3 | -60.2 | -61.1 | 0 | 0 | 0 | 109.5 | E29 | N27-E29 PolarHBondContact O-N 2.83Š| ||
| 28 | H | 48.8 | Very low | 50.6 | Low | 163 Ų | 163 | 128.1 Ų | 128.1 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | trans | -85.3 | 97.1 | 153.4 | -92.1 | -74.8 | 0 | 0 | 0 | 105.6 | R26 P30 | R26-H28 PolarHBondContact O-N 2.92Å; H28-P30 WeakPolarHBondContact O-CD 3.47Å | ||
| 29 | E | 40.6 | Very low | 52.2 | Low | 147 Ų | 147 | 125.8 Ų | 125.8 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | -37.2 | 108.4 | 158.2 | -127.7 | -68 | 159.3 | 0 | 0 | 108.4 | N27 S31 | N27-E29 PolarHBondContact O-N 2.83Å; E29-S31 PolarHBondContact O-N 2.93Å; E29-S31 WeakPolarHBondContact OE2-CB 3.47Å; E29-S31 PolarHBondContact OE2-N 2.68Å | ||
| 30 | P | 54.2 | Low | 53.9 | Low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | trans | -81.5 | 36.6 | -178.2 | 34.6 | -33.5 | 0 | 0 | 0 | 110.5 | H28 A32 | H28-P30 WeakPolarHBondContact O-CD 3.47Å; P30-A32 PolarHBondContact O-N 3.28Å | ||
| 31 | S | 51.2 | Low | 54.7 | Low | 93 Ų | 93 | 124.6 Ų | 124.6 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | trans | -85.9 | 17.1 | 170.1 | -169.2 | 0 | 0 | 0 | 0 | 113.3 | E29 K33 | E29-S31 PolarHBondContact O-N 2.93Å; E29-S31 WeakPolarHBondContact OE2-CB 3.47Å; E29-S31 PolarHBondContact OE2-N 2.68Å; S31-K33 VanDerWaalsContact C-N 3.34Å; S31-K33 PolarHBondContact O-N 3.42Å | ||
| 32 | A | 58.2 | Low | 56.1 | Low | 82 Ų | 82 | 125.2 Ų | 125.2 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | trans | -91.2 | 75 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | P30 V34 | P30-A32 PolarHBondContact O-N 3.28Å; A32-V34 PolarHBondContact O-N 3.06Å | ||
| 33 | K | 62.2 | Low | 57.2 | Low | 169 Ų | 169 | 122.7 Ų | 122.7 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | trans | -55.4 | 103.9 | 165.5 | -68 | -179 | -176.4 | -177.8 | 0 | 107.1 | S31 N35 | S31-K33 VanDerWaalsContact C-N 3.34Å; S31-K33 PolarHBondContact O-N 3.42Å; K33-N35 VanDerWaalsContact C-N 3.33Å; K33-N35 PolarHBondContact O-N 3.29Å | ||
| 34 | V | 64.8 | Low | 58 | Low | 108 Ų | 108 | 120.5 Ų | 120.5 | 66% | 0.655 | 66% | 0.658 | S | S | * | * | trans | -65.1 | 99.7 | 173.3 | 177.8 | 0 | 0 | 0 | 0 | 106.2 | A32 F36 | A32-V34 PolarHBondContact O-N 3.06Å; V34-F36 HydrophobicContact CB-CE2 4.38Å; V34-F36 HydrophobicContact CB-CZ 4.41Å; V34-F36 HydrophobicContact CG1-CE1 4.12Å; V34-F36 HydrophobicContact CG1-CE2 4.28Å; V34-F36 HydrophobicContact CG1-CZ 3.98Å; V34-F36 VanDerWaalsContact O-CD2 3.23Å; V34-F36 WeakPolarHBondContact O-CD2 3.27Å; V34-F36 PolarHBondContact O-N 2.86Å | ||
| 35 | N | 69.8 | Low | 58.5 | Low | 105 Ų | 105 | 120.6 Ų | 120.6 | 56% | 0.561 | 65% | 0.654 | S | S | * | * | trans | -77.4 | 87.4 | -175.6 | -75.4 | -45.6 | 0 | 0 | 0 | 109.6 | K33 G37 Q38 | K33-N35 VanDerWaalsContact C-N 3.33Å; K33-N35 PolarHBondContact O-N 3.29Å; N35-G37 PolarHBondContact O-N 3.38Å; N35-Q38 HydrophobicContact CB-CG 4.43Å; N35-Q38 PolarHBondContact O-N 3.44Å | ||
| 36 | F | 72.7 | Confident | 59.2 | Low | 148 Ų | 148 | 119 Ų | 119 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -18.1 | 172.7 | -61.5 | -78.2 | 0 | 0 | 0 | 113.4 | V34 Q38 L39 A40 | V34-F36 HydrophobicContact CB-CE2 4.38Å; V34-F36 HydrophobicContact CB-CZ 4.41Å; V34-F36 HydrophobicContact CG1-CE1 4.12Å; V34-F36 HydrophobicContact CG1-CE2 4.28Å; V34-F36 HydrophobicContact CG1-CZ 3.98Å; V34-F36 VanDerWaalsContact O-CD2 3.23Å; V34-F36 WeakPolarHBondContact O-CD2 3.27Å; V34-F36 PolarHBondContact O-N 2.86Å; F36-Q38 PolarHBondContact O-N 2.77Å; F36-L39 HydrophobicContact CD1-CD1 4.18Å; F36-L39 WeakPolarHBondContact O-CB 3.2Å; F36-L39 PolarHBondContact O-N 2.89Å; F36-L39 VanDerWaalsContact O-N 3.12Å; F36-A40 PolarHBondContact O-N 3.47Å |
| 37 | G | 69.2 | Low | 59.8 | Low | 47 Ų | 47 | 119.4 Ų | 119.4 | 49% | 0.485 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -59.9 | -26.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N35 L39 A40 L41 | N35-G37 PolarHBondContact O-N 3.38Å; G37-L39 VanDerWaalsContact C-N 3.34Å; G37-A40 PolarHBondContact O-N 3.09Å; G37-L41 WeakPolarHBondContact O-CG 3.48Å; G37-L41 PolarHBondContact O-N 3.21Å |
| 38 | Q | 69.9 | Low | 60.4 | Low | 132 Ų | 132 | 120.1 Ų | 120.1 | 62% | 0.617 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.6 | -30.8 | 176 | -64.5 | -166.4 | -67.7 | 0 | 0 | 112.5 | N35 F36 L41 L42 | N35-Q38 HydrophobicContact CB-CG 4.43Å; N35-Q38 PolarHBondContact O-N 3.44Å; F36-Q38 PolarHBondContact O-N 2.77Å; Q38-L41 PolarHBondContact O-N 2.9Å; Q38-L42 WeakPolarHBondContact O-CG 3.45Å; Q38-L42 PolarHBondContact O-N 3.17Å |
| 39 | L | 68.8 | Low | 60.7 | Low | 103 Ų | 103 | 118.3 Ų | 118.3 | 54% | 0.539 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -65.8 | -43.9 | 174.4 | -60.3 | 178.5 | 0 | 0 | 0 | 110.5 | F36 G37 L41 L42 E43 | F36-L39 HydrophobicContact CD1-CD1 4.18Å; F36-L39 WeakPolarHBondContact O-CB 3.2Å; F36-L39 PolarHBondContact O-N 2.89Å; F36-L39 VanDerWaalsContact O-N 3.12Å; G37-L39 VanDerWaalsContact C-N 3.34Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.79Å; L39-L42 WeakPolarHBondContact O-CB 3.4Å; L39-L42 PolarHBondContact O-N 2.7Å; L39-E43 PolarHBondContact O-N 3.12Å |
| 40 | A | 66.2 | Low | 61.2 | Low | 61 Ų | 61 | 116.1 Ų | 116.1 | 50% | 0.504 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -63.4 | -37.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F36 G37 A44 | F36-A40 PolarHBondContact O-N 3.47Å; G37-A40 PolarHBondContact O-N 3.09Å; A40-A44 WeakPolarHBondContact O-CB 3.24Å; A40-A44 PolarHBondContact O-N 2.94Å |
| 41 | L | 66.5 | Low | 61.3 | Low | 123 Ų | 123 | 116 Ų | 116 | 64% | 0.644 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.2 | -36.8 | 174 | -72.1 | 177.4 | 0 | 0 | 0 | 112.5 | G37 Q38 L39 A44 N45 | G37-L41 WeakPolarHBondContact O-CG 3.48Å; G37-L41 PolarHBondContact O-N 3.21Å; Q38-L41 PolarHBondContact O-N 2.9Å; L39-L41 VanDerWaalsContact C-N 3.32Å; L39-L41 PolarHBondContact O-N 2.79Å; L41-A44 PolarHBondContact O-N 3.3Å; L41-N45 WeakPolarHBondContact O-CB 3.33Å; L41-N45 PolarHBondContact O-N 2.85Å |
| 42 | L | 64.8 | Low | 61.7 | Low | 109 Ų | 109 | 119.4 Ų | 119.4 | 57% | 0.571 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.1 | -49.1 | 173.5 | -78.9 | 161.2 | 0 | 0 | 0 | 110.5 | Q38 L39 A44 N45 T46 | Q38-L42 WeakPolarHBondContact O-CG 3.45Å; Q38-L42 PolarHBondContact O-N 3.17Å; L39-L42 WeakPolarHBondContact O-CB 3.4Å; L39-L42 PolarHBondContact O-N 2.7Å; L42-A44 PolarHBondContact O-N 2.94Å; L42-N45 PolarHBondContact O-N 3.25Å; L42-T46 PolarHBondContact O-N 3.08Å; L42-T46 PolarHBondContact O-OG1 3.24Å |
| 43 | E | 63.7 | Low | 61.8 | Low | 146 Ų | 146 | 125.7 Ų | 125.7 | 68% | 0.682 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.1 | -44.7 | 175.7 | -75.7 | -170.9 | -124.2 | 0 | 0 | 112.5 | L39 N45 T46 R47 | L39-E43 PolarHBondContact O-N 3.12Å; E43-N45 VanDerWaalsContact C-N 3.31Å; E43-N45 PolarHBondContact O-N 2.94Å; E43-T46 PolarHBondContact O-N 3.23Å; E43-R47 PolarHBondContact O-N 3.46Å; E43-R47 VanDerWaalsContact O-N 3.15Å |
| 44 | A | 56 | Low | 62 | Low | 59 Ų | 59 | 122.6 Ų | 122.6 | 49% | 0.488 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -66.9 | -33.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A40 L41 L42 R47 R48 | A40-A44 WeakPolarHBondContact O-CB 3.24Å; A40-A44 PolarHBondContact O-N 2.94Å; L41-A44 PolarHBondContact O-N 3.3Å; L42-A44 PolarHBondContact O-N 2.94Å; A44-R47 PolarHBondContact O-N 3.01Å; A44-R48 PolarHBondContact O-N 3.43Å |
| 45 | N | 55.1 | Low | 62.3 | Low | 119 Ų | 119 | 121.3 Ų | 121.3 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.5 | -35.3 | 175.7 | -172 | 76.9 | 0 | 0 | 0 | 111.9 | L41 L42 E43 R47 R48 | L41-N45 WeakPolarHBondContact O-CB 3.33Å; L41-N45 PolarHBondContact O-N 2.85Å; L42-N45 PolarHBondContact O-N 3.25Å; E43-N45 VanDerWaalsContact C-N 3.31Å; E43-N45 PolarHBondContact O-N 2.94Å; N45-R47 PolarHBondContact O-N 3.34Å; N45-R48 PolarHBondContact O-N 3.1Å |
| 46 | T | 56 | Low | 62.9 | Low | 94 Ų | 94 | 119.6 Ų | 119.6 | 58% | 0.577 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.6 | -36.7 | 170.8 | -54 | 0 | 0 | 0 | 0 | 111.2 | L42 E43 | L42-T46 PolarHBondContact O-N 3.08Å; L42-T46 PolarHBondContact O-OG1 3.24Å; E43-T46 PolarHBondContact O-N 3.23Å |
| 47 | R | 56 | Low | 63.6 | Low | 224 Ų | 224 | 121.6 Ų | 121.6 | 85% | 0.845 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -11.4 | -178.4 | -161.1 | 170.9 | -177.3 | -172.8 | 1.5 | 114.5 | E43 A44 N45 P49 | E43-R47 PolarHBondContact O-N 3.46Å; E43-R47 VanDerWaalsContact O-N 3.15Å; A44-R47 PolarHBondContact O-N 3.01Å; N45-R47 PolarHBondContact O-N 3.34Å; R47-P49 WeakPolarHBondContact O-CD 3.21Å |
| 48 | R | 54.8 | Low | 64.5 | Low | 173 Ų | 173 | 129.7 Ų | 129.7 | 65% | 0.653 | 66% | 0.656 | S | S | * | * | trans | -81.2 | 116 | -176 | -149.1 | 177.9 | -178.3 | -165.4 | 2.9 | 109.7 | A44 N45 N50 | A44-R48 PolarHBondContact O-N 3.43Å; N45-R48 PolarHBondContact O-N 3.1Å; R48-N50 WeakPolarHBondContact CD-ND2 3.49Å; R48-N50 PolarHBondContact O-N 2.98Å | ||
| 49 | P | 55.3 | Low | 65.3 | Low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 65% | 0.653 | S | S | * | * | trans | -80.5 | 58.1 | -173.2 | 35.6 | -35.9 | 0 | 0 | 0 | 111.1 | R47 | R47-P49 WeakPolarHBondContact O-CD 3.21Š| ||
| 50 | N | 50.7 | Low | 66.3 | Low | 102 Ų | 102 | 126.4 Ų | 126.4 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | trans | -102.3 | 100.9 | 176.7 | -56.2 | -3.8 | 0 | 0 | 0 | 107.4 | R48 | R48-N50 WeakPolarHBondContact CD-ND2 3.49Å; R48-N50 PolarHBondContact O-N 2.98Å | ||
| 51 | S | 55.4 | Low | 67.3 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 76.9 | 72.1 | 163.1 | -164.2 | 0 | 0 | 0 | 0 | 117.8 | Y53 | S51-Y53 PolarHBondContact O-N 3.3Š|
| 52 | N | 59.5 | Low | 68.3 | Low | 164 Ų | 164 | 124.9 Ų | 124.9 | 88% | 0.877 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 47 | 1.8 | 131.4 | -103.7 | -10.6 | 0 | 0 | 0 | 125 | ||
| 53 | Y | 60.4 | Low | 69.4 | Low | 214 Ų | 214 | 123.3 Ų | 123.3 | 84% | 0.839 | 62% | 0.617 | S | S | * | * | trans | -144.5 | 10.4 | 177.9 | -100.1 | -85.3 | 0 | 0 | 0 | 116.1 | S51 V55 | S51-Y53 PolarHBondContact O-N 3.3Å; Y53-V55 PolarHBondContact O-N 2.88Å | ||
| 54 | S | 66.6 | Low | 70.6 | Confident | 105 Ų | 105 | 123.2 Ų | 123.2 | 73% | 0.734 | 61% | 0.61 | S | S | * | * | trans | -79.6 | 91.1 | 171.7 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | D56 | S54-D56 PolarHBondContact O-N 3.35Š| ||
| 55 | V | 71.4 | Confident | 72 | Confident | 80 Ų | 80 | 122.8 Ų | 122.8 | 49% | 0.485 | 60% | 0.601 | S | S | . | * | trans | -74 | 115.8 | 176.3 | -156.7 | 0 | 0 | 0 | 0 | 108.6 | Y53 Y57 Q60 | Y53-V55 PolarHBondContact O-N 2.88Å; V55-Y57 PolarHBondContact O-N 2.86Å; V55-Q60 VanDerWaalsContact CB-NE2 3.31Å; V55-Q60 HydrophobicContact CG1-CG 3.64Å | ||
| 56 | D | 81.9 | Confident | 73.6 | Confident | 70 Ų | 70 | 119.5 Ų | 119.5 | 37% | 0.374 | 59% | 0.585 | S | S | . | * | trans | -62.8 | 105.5 | -179 | -66.5 | -41.3 | 0 | 0 | 0 | 110.2 | S54 W58 H59 Q60 | S54-D56 PolarHBondContact O-N 3.35Å; D56-W58 PolarHBondContact O-N 3.26Å; D56-H59 HydrophobicContact CB-CB 3.7Å; D56-H59 WeakPolarHBondContact O-CA 3.3Å; D56-H59 WeakPolarHBondContact O-CB 3.25Å; D56-H59 PolarHBondContact O-N 2.88Å; D56-Q60 PolarHBondContact O-N 2.93Å | ||
| 57 | Y | 87.4 | Confident | 75.1 | Confident | 189 Ų | 189 | 119.6 Ų | 119.6 | 74% | 0.741 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -57.1 | -34.7 | -178.6 | -73.9 | -76.2 | 0 | 0 | 0 | 112.8 | V55 H61 | V55-Y57 PolarHBondContact O-N 2.86Å; Y57-H61 VanDerWaalsContact O-CB 3.31Å; Y57-H61 WeakPolarHBondContact O-CB 3.32Å; Y57-H61 PolarHBondContact O-N 2.9Å |
| 58 | W | 88.2 | Confident | 76.4 | Confident | 217 Ų | 217 | 115.9 Ų | 115.9 | 82% | 0.822 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.6 | -44.5 | 173.6 | -102.3 | 99.6 | 0 | 0 | 0 | 112.1 | D56 H61 A62 | D56-W58 PolarHBondContact O-N 3.26Å; W58-H61 PolarHBondContact O-N 3.42Å; W58-A62 PolarHBondContact O-N 2.9Å |
| 59 | H | 86.6 | Confident | 77.7 | Confident | 117 Ų | 117 | 113.4 Ų | 113.4 | 54% | 0.542 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.3 | -43.4 | 177.8 | -168.6 | -166.3 | 0 | 0 | 0 | 111 | D56 H61 A62 I63 | D56-H59 HydrophobicContact CB-CB 3.7Å; D56-H59 WeakPolarHBondContact O-CA 3.3Å; D56-H59 WeakPolarHBondContact O-CB 3.25Å; D56-H59 PolarHBondContact O-N 2.88Å; H59-H61 VanDerWaalsContact C-N 3.3Å; H59-H61 PolarHBondContact O-N 3.25Å; H59-A62 PolarHBondContact O-N 3.36Å; H59-I63 WeakPolarHBondContact O-CG1 3.41Å; H59-I63 PolarHBondContact O-N 2.94Å |
| 60 | Q | 89.8 | Confident | 79.2 | Confident | 49 Ų | 49 | 109.6 Ų | 109.6 | 23% | 0.229 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 172.8 | -66.7 | -174.2 | -9.1 | 0 | 0 | 112.1 | V55 D56 R64 | V55-Q60 VanDerWaalsContact CB-NE2 3.31Å; V55-Q60 HydrophobicContact CG1-CG 3.64Å; D56-Q60 PolarHBondContact O-N 2.93Å; Q60-R64 WeakPolarHBondContact O-CB 3.28Å; Q60-R64 VanDerWaalsContact O-CG 3.28Å; Q60-R64 WeakPolarHBondContact O-CG 3.33Å; Q60-R64 PolarHBondContact O-N 2.94Å |
| 61 | H | 87.1 | Confident | 80.8 | Confident | 105 Ų | 105 | 107.7 Ų | 107.7 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64 | -48.2 | 178 | 176.1 | 74 | 0 | 0 | 0 | 110.9 | Y57 W58 H59 I63 R64 T65 | Y57-H61 VanDerWaalsContact O-CB 3.31Å; Y57-H61 WeakPolarHBondContact O-CB 3.32Å; Y57-H61 PolarHBondContact O-N 2.9Å; W58-H61 PolarHBondContact O-N 3.42Å; H59-H61 VanDerWaalsContact C-N 3.3Å; H59-H61 PolarHBondContact O-N 3.25Å; H61-I63 PolarHBondContact O-N 3.49Å; H61-R64 PolarHBondContact O-N 3.46Å; H61-T65 PolarHBondContact CE1-OG1 3.34Å; H61-T65 WeakPolarHBondContact O-CB 3.48Å; H61-T65 PolarHBondContact O-N 2.93Å; H61-T65 PolarHBondContact O-OG1 2.93Å |
| 62 | A | 87.7 | Confident | 81.7 | Confident | 47 Ų | 47 | 106.8 Ų | 106.8 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.4 | -48.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W58 H59 T65 V66 | W58-A62 PolarHBondContact O-N 2.9Å; H59-A62 PolarHBondContact O-N 3.36Å; A62-T65 PolarHBondContact O-N 3.26Å; A62-V66 WeakPolarHBondContact O-CG2 3.33Å; A62-V66 PolarHBondContact O-N 2.76Å |
| 63 | I | 88.9 | Confident | 82.4 | Confident | 77 Ų | 77 | 102.8 Ų | 102.8 | 40% | 0.395 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 177.1 | -66.9 | 167.1 | 0 | 0 | 0 | 111.1 | H59 H61 T65 V66 I67 | H59-I63 WeakPolarHBondContact O-CG1 3.41Å; H59-I63 PolarHBondContact O-N 2.94Å; H61-I63 PolarHBondContact O-N 3.49Å; I63-T65 VanDerWaalsContact C-N 3.29Å; I63-T65 PolarHBondContact O-N 2.97Å; I63-V66 PolarHBondContact O-N 3.43Å; I63-I67 HydrophobicContact CG2-CD1 3.66Å; I63-I67 HydrophobicContact CG2-CG1 4.33Å; I63-I67 WeakPolarHBondContact O-CG1 3.45Å; I63-I67 PolarHBondContact O-N 3.32Å |
| 64 | R | 87.4 | Confident | 82.9 | Confident | 144 Ų | 144 | 98.2 Ų | 98.2 | 54% | 0.543 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -40.8 | 177.8 | -79.5 | -174.7 | -155.4 | 107.6 | 1.6 | 112 | Q60 H61 R68 | Q60-R64 WeakPolarHBondContact O-CB 3.28Å; Q60-R64 VanDerWaalsContact O-CG 3.28Å; Q60-R64 WeakPolarHBondContact O-CG 3.33Å; Q60-R64 PolarHBondContact O-N 2.94Å; H61-R64 PolarHBondContact O-N 3.46Å; R64-R68 VanDerWaalsContact O-CB 3.24Å; R64-R68 WeakPolarHBondContact O-CB 3.4Å; R64-R68 PolarHBondContact O-N 3.47Å |
| 65 | T | 86.3 | Confident | 82.9 | Confident | 49 Ų | 49 | 94.8 Ų | 94.8 | 30% | 0.301 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | -179.5 | -63.2 | 0 | 0 | 0 | 0 | 110.9 | H61 A62 I63 R68 H69 | H61-T65 PolarHBondContact CE1-OG1 3.34Å; H61-T65 WeakPolarHBondContact O-CB 3.48Å; H61-T65 PolarHBondContact O-N 2.93Å; H61-T65 PolarHBondContact O-OG1 2.93Å; A62-T65 PolarHBondContact O-N 3.26Å; I63-T65 VanDerWaalsContact C-N 3.29Å; I63-T65 PolarHBondContact O-N 2.97Å; T65-R68 PolarHBondContact O-N 2.93Å; T65-H69 PolarHBondContact O-CD2 3.27Å; T65-H69 PolarHBondContact O-N 3.48Å |
| 66 | V | 88.8 | Confident | 82.2 | Confident | 51 Ų | 51 | 96.9 Ų | 96.9 | 31% | 0.309 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -52.5 | 175 | 174 | 0 | 0 | 0 | 0 | 110.3 | A62 I63 R68 H69 L70 L103 | A62-V66 WeakPolarHBondContact O-CG2 3.33Å; A62-V66 PolarHBondContact O-N 2.76Å; I63-V66 PolarHBondContact O-N 3.43Å; V66-R68 PolarHBondContact O-N 2.96Å; V66-H69 PolarHBondContact O-N 3.45Å; V66-H69 VanDerWaalsContact O-N 3.1Å; V66-L70 HydrophobicContact CG1-CD1 3.75Å; V66-L70 HydrophobicContact CG1-CG 4.25Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.43Å; V66-L70 PolarHBondContact O-N 2.88Å; V66-L103 HydrophobicContact CG1-CD1 4.25Å |
| 67 | I | 86.9 | Confident | 81.1 | Confident | 96 Ų | 96 | 99.2 Ų | 99.2 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56 | -41.5 | 177.2 | -67.2 | 170.8 | 0 | 0 | 0 | 111 | I63 L70 S71 | I63-I67 HydrophobicContact CG2-CD1 3.66Å; I63-I67 HydrophobicContact CG2-CG1 4.33Å; I63-I67 WeakPolarHBondContact O-CG1 3.45Å; I63-I67 PolarHBondContact O-N 3.32Å; I67-L70 PolarHBondContact O-N 3.39Å; I67-S71 WeakPolarHBondContact O-CB 3.35Å; I67-S71 PolarHBondContact O-N 3.2Å; I67-S71 PolarHBondContact O-OG 2.88Å |
| 68 | R | 83.9 | Confident | 79.2 | Confident | 145 Ų | 145 | 96.8 Ų | 96.8 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 178.6 | -178.7 | 58 | -177.2 | -97.1 | 3.1 | 111.7 | R64 T65 V66 S71 F72 | R64-R68 VanDerWaalsContact O-CB 3.24Å; R64-R68 WeakPolarHBondContact O-CB 3.4Å; R64-R68 PolarHBondContact O-N 3.47Å; T65-R68 PolarHBondContact O-N 2.93Å; V66-R68 PolarHBondContact O-N 2.96Å; R68-S71 PolarHBondContact O-N 2.9Å; R68-F72 HydrophobicContact CG-CD2 3.71Å; R68-F72 HydrophobicContact CG-CE2 3.69Å; R68-F72 VanDerWaalsContact CZ-CE2 3.44Å; R68-F72 VanDerWaalsContact CZ-CZ 3.45Å; R68-F72 VanDerWaalsContact NE-CD2 3.31Å; R68-F72 WeakPolarHBondContact O-CB 3.42Å; R68-F72 WeakPolarHBondContact O-CD2 3.31Å; R68-F72 PolarHBondContact O-N 2.96Å |
| 69 | H | 82.5 | Confident | 77 | Confident | 121 Ų | 121 | 93.2 Ų | 93.2 | 56% | 0.56 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 177.5 | -75.4 | -60.3 | 0 | 0 | 0 | 112.2 | T65 V66 F72 A73 | T65-H69 PolarHBondContact O-CD2 3.27Å; T65-H69 PolarHBondContact O-N 3.48Å; V66-H69 PolarHBondContact O-N 3.45Å; V66-H69 VanDerWaalsContact O-N 3.1Å; H69-F72 PolarHBondContact O-N 2.83Å; H69-A73 WeakPolarHBondContact O-CB 3.33Å; H69-A73 PolarHBondContact O-N 2.92Å |
| 70 | L | 86.1 | Confident | 75.1 | Confident | 45 Ų | 45 | 93.5 Ų | 93.5 | 24% | 0.236 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 175.8 | -60.3 | 176.3 | 0 | 0 | 0 | 111.2 | V66 I67 F72 A73 M74 L96 | V66-L70 HydrophobicContact CG1-CD1 3.75Å; V66-L70 HydrophobicContact CG1-CG 4.25Å; V66-L70 VanDerWaalsContact O-CG 3.3Å; V66-L70 WeakPolarHBondContact O-CG 3.43Å; V66-L70 PolarHBondContact O-N 2.88Å; I67-L70 PolarHBondContact O-N 3.39Å; L70-F72 VanDerWaalsContact C-N 3.29Å; L70-F72 PolarHBondContact O-N 3.34Å; L70-A73 PolarHBondContact O-N 3.02Å; L70-M74 WeakPolarHBondContact O-CB 3.46Å; L70-M74 WeakPolarHBondContact O-CG 3.32Å; L70-M74 PolarHBondContact O-N 3.22Å; L70-L96 HydrophobicContact CB-CD2 3.64Å; L70-L96 HydrophobicContact CD1-CD2 3.51Å; L70-L96 HydrophobicContact CD2-CD2 3.17Å; L70-L96 HydrophobicContact CG-CD2 3.52Å |
| 71 | S | 84.6 | Confident | 72.9 | Confident | 62 Ų | 62 | 97 Ų | 97 | 43% | 0.434 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -36.7 | 174.5 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | I67 R68 A75 | I67-S71 WeakPolarHBondContact O-CB 3.35Å; I67-S71 PolarHBondContact O-N 3.2Å; I67-S71 PolarHBondContact O-OG 2.88Å; R68-S71 PolarHBondContact O-N 2.9Å; S71-A75 WeakPolarHBondContact O-CA 3.35Å; S71-A75 VanDerWaalsContact O-CB 3.27Å; S71-A75 WeakPolarHBondContact O-CB 3.49Å; S71-A75 PolarHBondContact O-N 3.43Å |
| 72 | F | 74.6 | Confident | 70.9 | Confident | 95 Ų | 95 | 95.9 Ų | 95.9 | 42% | 0.417 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -70.2 | -37.9 | 173.9 | -89.5 | -59.1 | 0 | 0 | 0 | 112.9 | R68 H69 L70 M74 A75 Q77 | R68-F72 HydrophobicContact CG-CD2 3.71Å; R68-F72 HydrophobicContact CG-CE2 3.69Å; R68-F72 VanDerWaalsContact CZ-CE2 3.44Å; R68-F72 VanDerWaalsContact CZ-CZ 3.45Å; R68-F72 VanDerWaalsContact NE-CD2 3.31Å; R68-F72 WeakPolarHBondContact O-CB 3.42Å; R68-F72 WeakPolarHBondContact O-CD2 3.31Å; R68-F72 PolarHBondContact O-N 2.96Å; H69-F72 PolarHBondContact O-N 2.83Å; L70-F72 VanDerWaalsContact C-N 3.29Å; L70-F72 PolarHBondContact O-N 3.34Å; F72-M74 VanDerWaalsContact C-N 3.28Å; F72-A75 PolarHBondContact O-N 2.86Å; F72-Q77 PolarHBondContact O-NE2 2.94Å |
| 73 | A | 74.1 | Confident | 69.2 | Low | 80 Ų | 80 | 103.1 Ų | 103.1 | 66% | 0.661 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.3 | -32.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H69 L70 | H69-A73 WeakPolarHBondContact O-CB 3.33Å; H69-A73 PolarHBondContact O-N 2.92Å; L70-A73 PolarHBondContact O-N 3.02Å |
| 74 | M | 70.3 | Confident | 67.1 | Low | 118 Ų | 118 | 108 Ų | 108 | 58% | 0.581 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -86.7 | -19.3 | 175.2 | -66 | 179.7 | 77 | 0 | 0 | 113.9 | L70 F72 L96 | L70-M74 WeakPolarHBondContact O-CB 3.46Å; L70-M74 WeakPolarHBondContact O-CG 3.32Å; L70-M74 PolarHBondContact O-N 3.22Å; F72-M74 VanDerWaalsContact C-N 3.28Å; M74-L96 HydrophobicContact CE-CD1 4.36Å; M74-L96 HydrophobicContact CG-CD1 4.17Å; M74-L96 HydrophobicContact SD-CD1 3.52Å; M74-L96 VanDerWaalsContact SD-CD1 3.52Å |
| 75 | A | 65.7 | Low | 65.4 | Low | 34 Ų | 34 | 104.5 Ų | 104.5 | 28% | 0.281 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -59.1 | 128 | 178.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | S71 F72 Q77 | S71-A75 WeakPolarHBondContact O-CA 3.35Å; S71-A75 VanDerWaalsContact O-CB 3.27Å; S71-A75 WeakPolarHBondContact O-CB 3.49Å; S71-A75 PolarHBondContact O-N 3.43Å; F72-A75 PolarHBondContact O-N 2.86Å; A75-Q77 WeakPolarHBondContact O-CG 3.25Å; A75-Q77 PolarHBondContact O-N 3.47Å |
| 76 | P | 56.7 | Low | 64 | Low | 124 Ų | 124 | 109.3 Ų | 109.3 | 81% | 0.805 | 61% | 0.606 | S | S | * | * | trans | -65.6 | 85.5 | -179.1 | -15 | 28.2 | 0 | 0 | 0 | 108.7 | T78 | P76-T78 PolarHBondContact O-N 3.21Š| ||
| 77 | Q | 59.1 | Low | 62.5 | Low | 119 Ų | 119 | 111.5 Ų | 111.5 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | trans | -58.9 | 117.9 | 165.9 | -40.8 | -57.2 | 9.1 | 0 | 0 | 103.6 | F72 A75 L79 | F72-Q77 PolarHBondContact O-NE2 2.94Å; A75-Q77 WeakPolarHBondContact O-CG 3.25Å; A75-Q77 PolarHBondContact O-N 3.47Å; Q77-L79 PolarHBondContact O-N 2.83Å | ||
| 78 | T | 47.4 | Very low | 61.4 | Low | 138 Ų | 138 | 110.9 Ų | 110.9 | 85% | 0.847 | 62% | 0.618 | S | S | * | * | trans | -64.7 | 67.5 | 176.6 | 44.3 | 0 | 0 | 0 | 0 | 109.4 | P76 P80 | P76-T78 PolarHBondContact O-N 3.21Å; T78-P80 WeakPolarHBondContact O-CD 3.42Å | ||
| 79 | L | 42.4 | Very low | 60.9 | Low | 141 Ų | 141 | 110 Ų | 110 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | trans | -107.5 | 97 | 162.9 | -80.8 | 176.7 | 0 | 0 | 0 | 106.2 | Q77 V81 | Q77-L79 PolarHBondContact O-N 2.83Å; L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 2.78Å | ||
| 80 | P | 47.3 | Very low | 60.4 | Low | 123 Ų | 123 | 107 Ų | 107 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | trans | -75.3 | 90.7 | 171.6 | 31.5 | -29 | 0 | 0 | 0 | 107.3 | T78 | T78-P80 WeakPolarHBondContact O-CD 3.42Š| ||
| 81 | V | 44.1 | Very low | 60 | Low | 124 Ų | 124 | 110.9 Ų | 110.9 | 75% | 0.752 | 63% | 0.634 | S | S | * | * | trans | -139.1 | 88 | 164.2 | -172.8 | 0 | 0 | 0 | 0 | 108.5 | L79 | L79-V81 VanDerWaalsContact C-N 3.32Å; L79-V81 PolarHBondContact O-N 2.78Å | ||
| 82 | A | 44.1 | Very low | 59.6 | Low | 80 Ų | 80 | 112.8 Ų | 112.8 | 66% | 0.661 | 64% | 0.636 | S | S | * | * | trans | 45.9 | 103.5 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | E84 | A82-E84 VanDerWaalsContact C-N 3.34Å; A82-E84 PolarHBondContact O-N 3.34Å | ||
| 83 | E | 51.4 | Low | 60 | Low | 199 Ų | 199 | 112.9 Ų | 112.9 | 93% | 0.93 | 64% | 0.64 | S | S | * | * | S | Bend | 48.5 | 27 | 118.5 | -64.4 | -82.7 | 138.5 | 0 | 0 | 120.3 | |||
| 84 | E | 46 | Very low | 60.2 | Low | 181 Ų | 181 | 111.6 Ų | 111.6 | 85% | 0.846 | 63% | 0.629 | S | S | * | * | trans | -136.4 | 10.9 | 174.4 | -128 | 159.6 | 171.4 | 0 | 0 | 116.3 | A82 | A82-E84 VanDerWaalsContact C-N 3.34Å; A82-E84 PolarHBondContact O-N 3.34Å | ||
| 85 | S | 50.8 | Low | 60.8 | Low | 70 Ų | 70 | 110.3 Ų | 110.3 | 49% | 0.49 | 62% | 0.624 | S | S | . | * | trans | -108.4 | 22.2 | -172.1 | 68 | 0 | 0 | 0 | 0 | 116.4 | L88 Q89 | S85-L88 PolarHBondContact O-N 3.37Å; S85-Q89 PolarHBondContact O-N 3.01Å | ||
| 86 | L | 56.7 | Low | 61.6 | Low | 149 Ų | 149 | 110.3 Ų | 110.3 | 78% | 0.78 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -58.7 | -41.9 | 174.8 | -140.1 | 160.7 | 0 | 0 | 0 | 113.4 | ||
| 87 | P | 57.2 | Low | 62.5 | Low | 98 Ų | 98 | 110 Ų | 110 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.7 | -30.9 | 175.1 | 27.5 | -33.6 | 0 | 0 | 0 | 113.1 | A90 Q91 | P87-A90 PolarHBondContact O-N 3.43Å; P87-Q91 PolarHBondContact O-N 2.99Å; P87-Q91 VanDerWaalsContact O-N 3.12Å |
| 88 | L | 65.1 | Low | 63.4 | Low | 82 Ų | 82 | 108.2 Ų | 108.2 | 43% | 0.429 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.1 | -37.5 | -179 | -167.9 | 74.5 | 0 | 0 | 0 | 111.5 | S85 Q91 H92 | S85-L88 PolarHBondContact O-N 3.37Å; L88-Q91 WeakPolarHBondContact O-CB 3.19Å; L88-Q91 PolarHBondContact O-N 3.26Å; L88-H92 PolarHBondContact O-CD2 3.02Å; L88-H92 VanDerWaalsContact O-CG 3.27Å; L88-H92 PolarHBondContact O-N 2.81Å |
| 89 | Q | 72 | Confident | 64.9 | Low | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.593 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66 | -38.9 | 177 | -171.1 | 168.8 | 16.4 | 0 | 0 | 112.4 | S85 Q91 H92 L93 | S85-Q89 PolarHBondContact O-N 3.01Å; Q89-Q91 VanDerWaalsContact C-N 3.33Å; Q89-H92 PolarHBondContact O-N 3.07Å; Q89-L93 PolarHBondContact O-N 3.03Å |
| 90 | A | 73.1 | Confident | 66.5 | Low | 59 Ų | 59 | 101.2 Ų | 101.2 | 49% | 0.488 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -39.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P87 L93 A94 | P87-A90 PolarHBondContact O-N 3.43Å; A90-L93 PolarHBondContact O-N 2.85Å; A90-A94 WeakPolarHBondContact O-CB 3.29Å; A90-A94 PolarHBondContact O-N 2.74Å |
| 91 | Q | 77 | Confident | 67.6 | Low | 126 Ų | 126 | 96.8 Ų | 96.8 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 174.1 | -176.1 | 178.1 | -7 | 0 | 0 | 112 | P87 L88 Q89 A94 L95 | P87-Q91 PolarHBondContact O-N 2.99Å; P87-Q91 VanDerWaalsContact O-N 3.12Å; L88-Q91 WeakPolarHBondContact O-CB 3.19Å; L88-Q91 PolarHBondContact O-N 3.26Å; Q89-Q91 VanDerWaalsContact C-N 3.33Å; Q91-A94 PolarHBondContact O-N 3.17Å; Q91-L95 WeakPolarHBondContact O-CB 3.23Å; Q91-L95 PolarHBondContact O-N 3.37Å |
| 92 | H | 76.9 | Confident | 69.1 | Low | 102 Ų | 102 | 95.5 Ų | 95.5 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.9 | -69.7 | -175.1 | 0 | 0 | 0 | 110.8 | L88 Q89 L95 L96 | L88-H92 PolarHBondContact O-CD2 3.02Å; L88-H92 VanDerWaalsContact O-CG 3.27Å; L88-H92 PolarHBondContact O-N 2.81Å; Q89-H92 PolarHBondContact O-N 3.07Å; H92-L95 PolarHBondContact O-N 2.87Å; H92-L96 VanDerWaalsContact O-CG 3.25Å; H92-L96 WeakPolarHBondContact O-CG 3.33Å; H92-L96 PolarHBondContact O-N 3.47Å |
| 93 | L | 82.2 | Confident | 70.4 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 175 | -78.7 | 171.1 | 0 | 0 | 0 | 112.5 | Q89 A90 L95 L96 D97 | Q89-L93 PolarHBondContact O-N 3.03Å; A90-L93 PolarHBondContact O-N 2.85Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 2.89Å; L93-L96 HydrophobicContact CD2-CD1 4.42Å; L93-L96 PolarHBondContact O-N 3.42Å; L93-D97 WeakPolarHBondContact O-CB 3.42Å; L93-D97 PolarHBondContact O-N 2.97Å |
| 94 | A | 77.9 | Confident | 71.1 | Confident | 52 Ų | 52 | 91 Ų | 91 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A90 Q91 D97 T98 | A90-A94 WeakPolarHBondContact O-CB 3.29Å; A90-A94 PolarHBondContact O-N 2.74Å; Q91-A94 PolarHBondContact O-N 3.17Å; A94-D97 PolarHBondContact O-N 3.19Å; A94-T98 WeakPolarHBondContact O-CB 3.44Å; A94-T98 VanDerWaalsContact O-CG2 3.25Å; A94-T98 WeakPolarHBondContact O-CG2 3.09Å; A94-T98 PolarHBondContact O-N 3.37Å; A94-T98 PolarHBondContact O-OG1 3.18Å |
| 95 | L | 83.4 | Confident | 71.8 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 175.3 | -171.8 | 152.5 | 0 | 0 | 0 | 111.2 | Q91 H92 L93 D97 T98 L99 | Q91-L95 WeakPolarHBondContact O-CB 3.23Å; Q91-L95 PolarHBondContact O-N 3.37Å; H92-L95 PolarHBondContact O-N 2.87Å; L93-L95 VanDerWaalsContact C-N 3.3Å; L93-L95 PolarHBondContact O-N 2.89Å; L95-D97 VanDerWaalsContact C-N 3.34Å; L95-D97 PolarHBondContact O-N 3.43Å; L95-T98 WeakPolarHBondContact CA-OG1 3.44Å; L95-T98 PolarHBondContact O-N 3Å; L95-T98 PolarHBondContact O-OG1 3.05Å; L95-L99 HydrophobicContact CD2-CD1 3.48Å; L95-L99 VanDerWaalsContact CD2-CD1 3.48Å; L95-L99 HydrophobicContact CD2-CG 4.03Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.06Å |
| 96 | L | 82 | Confident | 72 | Confident | 34 Ų | 34 | 91.3 Ų | 91.3 | 18% | 0.178 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 175.4 | -65.7 | 172.5 | 0 | 0 | 0 | 111.7 | L70 M74 H92 L93 L99 S100 | L70-L96 HydrophobicContact CB-CD2 3.64Å; L70-L96 HydrophobicContact CD1-CD2 3.51Å; L70-L96 HydrophobicContact CD2-CD2 3.17Å; L70-L96 HydrophobicContact CG-CD2 3.52Å; M74-L96 HydrophobicContact CE-CD1 4.36Å; M74-L96 HydrophobicContact CG-CD1 4.17Å; M74-L96 HydrophobicContact SD-CD1 3.52Å; M74-L96 VanDerWaalsContact SD-CD1 3.52Å; H92-L96 VanDerWaalsContact O-CG 3.25Å; H92-L96 WeakPolarHBondContact O-CG 3.33Å; H92-L96 PolarHBondContact O-N 3.47Å; L93-L96 HydrophobicContact CD2-CD1 4.42Å; L93-L96 PolarHBondContact O-N 3.42Å; L96-L99 PolarHBondContact O-N 3.12Å; L96-S100 VanDerWaalsContact O-CB 3.32Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 3.25Å |
| 97 | D | 77 | Confident | 71.9 | Confident | 118 Ų | 118 | 86.9 Ų | 86.9 | 63% | 0.631 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.6 | -43.1 | -179.5 | -163.8 | 34.5 | 0 | 0 | 0 | 111.6 | L93 A94 L95 S100 A101 | L93-D97 WeakPolarHBondContact O-CB 3.42Å; L93-D97 PolarHBondContact O-N 2.97Å; A94-D97 PolarHBondContact O-N 3.19Å; L95-D97 VanDerWaalsContact C-N 3.34Å; L95-D97 PolarHBondContact O-N 3.43Å; D97-S100 WeakPolarHBondContact O-CB 3.26Å; D97-S100 PolarHBondContact O-N 2.86Å; D97-A101 WeakPolarHBondContact O-CB 3.45Å; D97-A101 PolarHBondContact O-N 2.83Å |
| 98 | T | 77.2 | Confident | 71.5 | Confident | 81 Ų | 81 | 86.7 Ų | 86.7 | 50% | 0.497 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 175.1 | 51.2 | 0 | 0 | 0 | 0 | 113 | A94 L95 A101 L102 | A94-T98 WeakPolarHBondContact O-CB 3.44Å; A94-T98 VanDerWaalsContact O-CG2 3.25Å; A94-T98 WeakPolarHBondContact O-CG2 3.09Å; A94-T98 PolarHBondContact O-N 3.37Å; A94-T98 PolarHBondContact O-OG1 3.18Å; L95-T98 WeakPolarHBondContact CA-OG1 3.44Å; L95-T98 PolarHBondContact O-N 3Å; L95-T98 PolarHBondContact O-OG1 3.05Å; T98-A101 PolarHBondContact O-N 2.91Å; T98-L102 WeakPolarHBondContact O-CB 3.5Å; T98-L102 WeakPolarHBondContact O-CG 3.23Å; T98-L102 PolarHBondContact O-N 3.45Å |
| 99 | L | 79.8 | Confident | 70.8 | Confident | 67 Ų | 67 | 88.3 Ų | 88.3 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.6 | -39.9 | 174.4 | -74.4 | -178.1 | 0 | 0 | 0 | 112 | L95 L96 A101 L102 L103 | L95-L99 HydrophobicContact CD2-CD1 3.48Å; L95-L99 VanDerWaalsContact CD2-CD1 3.48Å; L95-L99 HydrophobicContact CD2-CG 4.03Å; L95-L99 WeakPolarHBondContact O-CB 3.35Å; L95-L99 WeakPolarHBondContact O-CG 3.46Å; L95-L99 PolarHBondContact O-N 3.06Å; L96-L99 PolarHBondContact O-N 3.12Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-L102 PolarHBondContact O-N 2.97Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 3.43Å |
| 100 | S | 76.1 | Confident | 69.6 | Low | 66 Ų | 66 | 86.5 Ų | 86.5 | 46% | 0.462 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 173.7 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | L96 D97 L103 T104 | L96-S100 VanDerWaalsContact O-CB 3.32Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 3.25Å; D97-S100 WeakPolarHBondContact O-CB 3.26Å; D97-S100 PolarHBondContact O-N 2.86Å; S100-L103 PolarHBondContact O-N 3.41Å; S100-T104 WeakPolarHBondContact O-CB 3.14Å; S100-T104 WeakPolarHBondContact O-CG2 3.13Å; S100-T104 PolarHBondContact O-N 3.46Å; S100-T104 PolarHBondContact O-OG1 3.48Å |
| 101 | A | 70.8 | Confident | 68.4 | Low | 29 Ų | 29 | 92.8 Ų | 92.8 | 24% | 0.24 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D97 T98 L99 T104 Q105 | D97-A101 WeakPolarHBondContact O-CB 3.45Å; D97-A101 PolarHBondContact O-N 2.83Å; T98-A101 PolarHBondContact O-N 2.91Å; L99-A101 VanDerWaalsContact C-N 3.34Å; A101-T104 WeakPolarHBondContact CA-OG1 2.93Å; A101-T104 PolarHBondContact O-N 3.36Å; A101-T104 PolarHBondContact O-OG1 3.15Å; A101-T104 VanDerWaalsContact O-OG1 3.07Å; A101-Q105 WeakPolarHBondContact O-CB 3.08Å; A101-Q105 WeakPolarHBondContact O-CG 3.45Å; A101-Q105 PolarHBondContact O-N 2.62Å |
| 102 | L | 74.3 | Confident | 67.1 | Low | 98 Ų | 98 | 95 Ų | 95 | 51% | 0.513 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 176 | -74.9 | 173.6 | 0 | 0 | 0 | 111 | T98 L99 T104 Q105 E106 | T98-L102 WeakPolarHBondContact O-CB 3.5Å; T98-L102 WeakPolarHBondContact O-CG 3.23Å; T98-L102 PolarHBondContact O-N 3.45Å; L99-L102 PolarHBondContact O-N 2.97Å; L102-T104 PolarHBondContact O-N 2.8Å; L102-Q105 PolarHBondContact O-N 2.93Å; L102-E106 VanDerWaalsContact O-CB 3.26Å; L102-E106 WeakPolarHBondContact O-CB 3.32Å; L102-E106 WeakPolarHBondContact O-CG 3.35Å; L102-E106 PolarHBondContact O-N 2.95Å; L102-E106 VanDerWaalsContact O-OE1 3.08Å |
| 103 | L | 70.9 | Confident | 65.7 | Low | 92 Ų | 92 | 93.5 Ų | 93.5 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.4 | -31.2 | -179.8 | -70.7 | 170.1 | 0 | 0 | 0 | 113.4 | V66 L99 S100 E106 | V66-L103 HydrophobicContact CG1-CD1 4.25Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.48Å; L99-L103 PolarHBondContact O-N 3.43Å; S100-L103 PolarHBondContact O-N 3.41Å; L103-E106 VanDerWaalsContact CA-OE1 3.23Å; L103-E106 WeakPolarHBondContact CA-OE1 3.38Å; L103-E106 PolarHBondContact N-OE1 3.34Å |
| 104 | T | 67.9 | Low | 64.3 | Low | 92 Ų | 92 | 99 Ų | 99 | 56% | 0.564 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -84.1 | -34.5 | 176.2 | 52 | 0 | 0 | 0 | 0 | 113 | S100 A101 L102 | S100-T104 WeakPolarHBondContact O-CB 3.14Å; S100-T104 WeakPolarHBondContact O-CG2 3.13Å; S100-T104 PolarHBondContact O-N 3.46Å; S100-T104 PolarHBondContact O-OG1 3.48Å; A101-T104 WeakPolarHBondContact CA-OG1 2.93Å; A101-T104 PolarHBondContact O-N 3.36Å; A101-T104 PolarHBondContact O-OG1 3.15Å; A101-T104 VanDerWaalsContact O-OG1 3.07Å; L102-T104 PolarHBondContact O-N 2.8Å |
| 105 | Q | 58.9 | Low | 63 | Low | 124 Ų | 124 | 106.3 Ų | 106.3 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -81.9 | -37.8 | 179.4 | -70.3 | 176.1 | 28.6 | 0 | 0 | 112.9 | A101 L102 G107 T108 | A101-Q105 WeakPolarHBondContact O-CB 3.08Å; A101-Q105 WeakPolarHBondContact O-CG 3.45Å; A101-Q105 PolarHBondContact O-N 2.62Å; L102-Q105 PolarHBondContact O-N 2.93Å; Q105-G107 PolarHBondContact O-N 3.31Å; Q105-T108 WeakPolarHBondContact O-CB 3.43Å; Q105-T108 PolarHBondContact O-N 2.75Å; Q105-T108 PolarHBondContact O-OG1 3.05Å |
| 106 | E | 56.2 | Low | 61.8 | Low | 133 Ų | 133 | 107.7 Ų | 107.7 | 62% | 0.621 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -24.9 | 174.3 | 75.9 | -167.6 | 99.2 | 0 | 0 | 111.6 | L102 L103 T108 | L102-E106 VanDerWaalsContact O-CB 3.26Å; L102-E106 WeakPolarHBondContact O-CB 3.32Å; L102-E106 WeakPolarHBondContact O-CG 3.35Å; L102-E106 PolarHBondContact O-N 2.95Å; L102-E106 VanDerWaalsContact O-OE1 3.08Å; L103-E106 VanDerWaalsContact CA-OE1 3.23Å; L103-E106 WeakPolarHBondContact CA-OE1 3.38Å; L103-E106 PolarHBondContact N-OE1 3.34Å; E106-T108 VanDerWaalsContact C-N 3.28Å |
| 107 | G | 53.8 | Low | 60.3 | Low | 56 Ų | 56 | 111.4 Ų | 111.4 | 58% | 0.577 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -13.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q105 P109 | Q105-G107 PolarHBondContact O-N 3.31Å; G107-P109 WeakPolarHBondContact O-CD 3.43Å |
| 108 | T | 49 | Very low | 59.5 | Low | 95 Ų | 95 | 115.4 Ų | 115.4 | 58% | 0.583 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -80.9 | 104.8 | 162 | 58.1 | 0 | 0 | 0 | 0 | 106.9 | Q105 E106 S110 | Q105-T108 WeakPolarHBondContact O-CB 3.43Å; Q105-T108 PolarHBondContact O-N 2.75Å; Q105-T108 PolarHBondContact O-OG1 3.05Å; E106-T108 VanDerWaalsContact C-N 3.28Å; T108-S110 VanDerWaalsContact C-N 3.29Å; T108-S110 PolarHBondContact O-N 3.25Å |
| 109 | P | 50.7 | Low | 58.6 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 75% | 0.753 | 62% | 0.622 | S | S | * | * | trans | -60.6 | 103.9 | 173 | 26.3 | -32.2 | 0 | 0 | 0 | 105.4 | G107 E111 | G107-P109 WeakPolarHBondContact O-CD 3.43Å; P109-E111 PolarHBondContact O-N 2.7Å | ||
| 110 | S | 47.1 | Very low | 57.6 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | trans | -53.3 | 113 | 172.4 | -164 | 0 | 0 | 0 | 0 | 104.8 | T108 K112 | T108-S110 VanDerWaalsContact C-N 3.29Å; T108-S110 PolarHBondContact O-N 3.25Å; S110-K112 PolarHBondContact O-N 2.84Å | ||
| 111 | E | 48 | Very low | 56.9 | Low | 192 Ų | 192 | 125.8 Ų | 125.8 | 90% | 0.897 | 66% | 0.657 | S | S | * | * | trans | -65.6 | 34.7 | -178.4 | -162.6 | -171 | 161.5 | 0 | 0 | 111 | P109 G113 | P109-E111 PolarHBondContact O-N 2.7Å; E111-G113 PolarHBondContact O-N 2.83Å | ||
| 112 | K | 48.1 | Very low | 56.5 | Low | 171 Ų | 171 | 129.9 Ų | 129.9 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | trans | -78.9 | 78.8 | 159.7 | -64.1 | -175.3 | -174.6 | 176.6 | 0 | 105 | S110 Y114 | S110-K112 PolarHBondContact O-N 2.84Å; K112-Y114 VanDerWaalsContact C-N 3.29Å; K112-Y114 PolarHBondContact O-N 2.8Å | ||
| 113 | G | 48.1 | Very low | 55.9 | Low | 71 Ų | 71 | 130.4 Ų | 130.4 | 73% | 0.732 | 69% | 0.688 | S | S | * | * | trans | -48.2 | 98.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | E111 R115 | E111-G113 PolarHBondContact O-N 2.83Å; G113-R115 PolarHBondContact O-N 3.4Å | ||
| 114 | Y | 52.7 | Low | 55.5 | Low | 214 Ų | 214 | 134 Ų | 134 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | trans | -64.4 | 95.2 | 157.5 | -116.8 | -88.4 | 0 | 0 | 0 | 103.7 | K112 I116 | K112-Y114 VanDerWaalsContact C-N 3.29Å; K112-Y114 PolarHBondContact O-N 2.8Å; Y114-I116 PolarHBondContact O-N 3.26Å | ||
| 115 | R | 51.6 | Low | 55.5 | Low | 205 Ų | 205 | 133.8 Ų | 133.8 | 77% | 0.774 | 71% | 0.711 | S | S | * | * | trans | -61.4 | 89 | 161.6 | -178.1 | 179.4 | 174.2 | 156.6 | 4.1 | 104.5 | G113 D117 | G113-R115 PolarHBondContact O-N 3.4Å; R115-D117 WeakPolarHBondContact CD-OD1 3.47Å; R115-D117 WeakPolarHBondContact CG-OD1 3.3Å; R115-D117 IonicContact CZ-OD1 3.72Å; R115-D117 IonicContact NE-OD1 2.82Å; R115-D117 PolarHBondContact NE-OD1 3.26Å; R115-D117 IonicContact NH2-OD1 3.85Å; R115-D117 PolarHBondContact O-N 2.93Å | ||
| 116 | I | 57.4 | Low | 56.1 | Low | 120 Ų | 120 | 137.3 Ų | 137.3 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | trans | -68.1 | 92.5 | 163.8 | -58.5 | -162.2 | 0 | 0 | 0 | 103.2 | Y114 Y118 | Y114-I116 PolarHBondContact O-N 3.26Å; I116-Y118 VanDerWaalsContact C-N 3.3Å; I116-Y118 WeakPolarHBondContact O-CD2 3.29Å; I116-Y118 PolarHBondContact O-N 3.33Å | ||
| 117 | D | 50.9 | Low | 57.1 | Low | 111 Ų | 111 | 138.5 Ų | 138.5 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | trans | -57.6 | 107.4 | 162.9 | -73.3 | -37.3 | 0 | 0 | 0 | 104.5 | R115 A119 | R115-D117 WeakPolarHBondContact CD-OD1 3.47Å; R115-D117 WeakPolarHBondContact CG-OD1 3.3Å; R115-D117 IonicContact CZ-OD1 3.72Å; R115-D117 IonicContact NE-OD1 2.82Å; R115-D117 PolarHBondContact NE-OD1 3.26Å; R115-D117 IonicContact NH2-OD1 3.85Å; R115-D117 PolarHBondContact O-N 2.93Å; D117-A119 PolarHBondContact O-N 3.06Å | ||
| 118 | Y | 60.6 | Low | 58.3 | Low | 202 Ų | 202 | 138.1 Ų | 138.1 | 79% | 0.792 | 72% | 0.716 | S | S | * | * | trans | -59.6 | 88.2 | 170.1 | -66.6 | -91.9 | 0 | 0 | 0 | 105.7 | I116 H120 | I116-Y118 VanDerWaalsContact C-N 3.3Å; I116-Y118 WeakPolarHBondContact O-CD2 3.29Å; I116-Y118 PolarHBondContact O-N 3.33Å; Y118-H120 PolarHBondContact O-N 3.41Å | ||
| 119 | A | 58 | Low | 59.8 | Low | 89 Ų | 89 | 137.7 Ų | 137.7 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | -51.6 | 111.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 104.3 | D117 F121 | D117-A119 PolarHBondContact O-N 3.06Å; A119-F121 VanDerWaalsContact C-N 3.34Å; A119-F121 PolarHBondContact O-N 2.75Å | ||
| 120 | H | 59.6 | Low | 61 | Low | 181 Ų | 181 | 135.6 Ų | 135.6 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | trans | -48.9 | 101.4 | -170.7 | -69.9 | -84 | 0 | 0 | 0 | 108.6 | Y118 T122 | Y118-H120 PolarHBondContact O-N 3.41Å; H120-T122 PolarHBondContact O-N 3.04Å | ||
| 121 | F | 60.3 | Low | 62.6 | Low | 163 Ų | 163 | 135.2 Ų | 135.2 | 72% | 0.715 | 69% | 0.693 | S | S | * | * | trans | -68.4 | 95.7 | 174.2 | -175.7 | -95.6 | 0 | 0 | 0 | 104.9 | A119 P123 | A119-F121 VanDerWaalsContact C-N 3.34Å; A119-F121 PolarHBondContact O-N 2.75Å; F121-P123 WeakPolarHBondContact O-CD 3.27Å | ||
| 122 | T | 62 | Low | 64.2 | Low | 115 Ų | 115 | 132.9 Ų | 132.9 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | trans | -55.2 | 115.9 | 169.2 | 53.2 | 0 | 0 | 0 | 0 | 105.4 | H120 Q124 | H120-T122 PolarHBondContact O-N 3.04Å; T122-Q124 PolarHBondContact O-N 3.17Å | ||
| 123 | P | 62.6 | Low | 65.6 | Low | 108 Ų | 108 | 128.1 Ų | 128.1 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | trans | -58.2 | 107.4 | -176.7 | -21.5 | 31.6 | 0 | 0 | 0 | 107.7 | F121 A125 | F121-P123 WeakPolarHBondContact O-CD 3.27Å; P123-A125 PolarHBondContact O-N 2.97Å | ||
| 124 | Q | 61.4 | Low | 67.1 | Low | 168 Ų | 168 | 127.2 Ų | 127.2 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | trans | -55.1 | 129.2 | 175.6 | -170.4 | 172.9 | 3.9 | 0 | 0 | 106.9 | T122 K126 | T122-Q124 PolarHBondContact O-N 3.17Å; Q124-K126 PolarHBondContact O-N 2.78Å | ||
| 125 | A | 68 | Low | 68.3 | Low | 88 Ų | 88 | 124.1 Ų | 124.1 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | trans | -22.8 | 120.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P123 F127 | P123-A125 PolarHBondContact O-N 2.97Å; A125-F127 PolarHBondContact O-N 2.99Å | ||
| 126 | K | 73 | Confident | 69.6 | Low | 198 Ų | 198 | 117.8 Ų | 117.8 | 86% | 0.861 | 63% | 0.625 | S | S | * | * | trans | -46.1 | 113.5 | 174.2 | -68.4 | 178.5 | -178.8 | 177.3 | 0 | 109.2 | Q124 S128 | Q124-K126 PolarHBondContact O-N 2.78Å; K126-S128 PolarHBondContact O-N 3.14Å | ||
| 127 | F | 76.5 | Confident | 70.4 | Confident | 157 Ų | 157 | 118.3 Ų | 118.3 | 69% | 0.689 | 63% | 0.626 | S | S | * | * | trans | -59.2 | 121.9 | 173.5 | 175.8 | -95.8 | 0 | 0 | 0 | 108.5 | A125 T129 W132 | A125-F127 PolarHBondContact O-N 2.99Å; F127-T129 HydrophobicContact CE1-CG2 4.11Å; F127-W132 HydrophobicContact CE2-CB 3.76Å; F127-W132 AromaticContact CE2-CG 3.88Å; F127-W132 HydrophobicContact CE2-CG 3.88Å; F127-W132 HydrophobicContact CZ-CB 4.01Å; F127-W132 HydrophobicContact CZ-CD2 4.41Å; F127-W132 HydrophobicContact CZ-CG 4.1Å | ||
| 128 | S | 78.9 | Confident | 71.1 | Confident | 49 Ų | 49 | 115.8 Ų | 115.8 | 34% | 0.343 | 63% | 0.626 | S | S | . | * | trans | -126.8 | 124.8 | 177.6 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | K126 P130 V131 W132 | K126-S128 PolarHBondContact O-N 3.14Å; S128-P130 VanDerWaalsContact OG-CD 3.25Å; S128-P130 WeakPolarHBondContact OG-CD 3.34Å; S128-P130 VanDerWaalsContact OG-CG 3.3Å; S128-P130 WeakPolarHBondContact OG-CG 3.49Å; S128-V131 WeakPolarHBondContact O-CB 3.25Å; S128-V131 PolarHBondContact O-N 3.36Å; S128-W132 PolarHBondContact O-N 3.17Å | ||
| 129 | T | 79.7 | Confident | 71.3 | Confident | 85 Ų | 85 | 111 Ų | 111 | 52% | 0.521 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -52.3 | -42.9 | -179.2 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | F127 V131 W132 I133 | F127-T129 HydrophobicContact CE1-CG2 4.11Å; T129-V131 VanDerWaalsContact C-N 3.33Å; T129-V131 PolarHBondContact O-N 2.97Å; T129-W132 PolarHBondContact O-N 3.03Å; T129-I133 VanDerWaalsContact O-CG1 3.27Å; T129-I133 WeakPolarHBondContact O-CG1 3.46Å; T129-I133 PolarHBondContact O-N 2.96Å |
| 130 | P | 77.5 | Confident | 71.5 | Confident | 72 Ų | 72 | 118 Ų | 118 | 47% | 0.468 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.4 | -34.4 | 175.9 | 24.4 | -36.7 | 0 | 0 | 0 | 113.3 | S128 S134 | S128-P130 VanDerWaalsContact OG-CD 3.25Å; S128-P130 WeakPolarHBondContact OG-CD 3.34Å; S128-P130 VanDerWaalsContact OG-CG 3.3Å; S128-P130 WeakPolarHBondContact OG-CG 3.49Å; P130-S134 WeakPolarHBondContact O-CB 3.3Å; P130-S134 PolarHBondContact O-N 3Å; P130-S134 PolarHBondContact O-OG 2.8Å |
| 131 | V | 80.2 | Confident | 71.8 | Confident | 80 Ų | 80 | 113.5 Ų | 113.5 | 49% | 0.485 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.4 | -42.8 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | S128 T129 S134 Q135 | S128-V131 WeakPolarHBondContact O-CB 3.25Å; S128-V131 PolarHBondContact O-N 3.36Å; T129-V131 VanDerWaalsContact C-N 3.33Å; T129-V131 PolarHBondContact O-N 2.97Å; V131-S134 PolarHBondContact O-N 3.23Å; V131-Q135 WeakPolarHBondContact O-CG 3.19Å; V131-Q135 PolarHBondContact O-N 2.73Å |
| 132 | W | 80.4 | Confident | 71.8 | Confident | 144 Ų | 144 | 108.6 Ų | 108.6 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.5 | -43.1 | 176.1 | 176.8 | 67 | 0 | 0 | 0 | 112.2 | F127 S128 T129 Q135 A136 | F127-W132 HydrophobicContact CE2-CB 3.76Å; F127-W132 AromaticContact CE2-CG 3.88Å; F127-W132 HydrophobicContact CE2-CG 3.88Å; F127-W132 HydrophobicContact CZ-CB 4.01Å; F127-W132 HydrophobicContact CZ-CD2 4.41Å; F127-W132 HydrophobicContact CZ-CG 4.1Å; S128-W132 PolarHBondContact O-N 3.17Å; T129-W132 PolarHBondContact O-N 3.03Å; W132-Q135 PolarHBondContact O-N 2.98Å; W132-A136 VanDerWaalsContact O-CB 3.3Å; W132-A136 WeakPolarHBondContact O-CB 3.44Å; W132-A136 PolarHBondContact O-N 2.7Å |
| 133 | I | 78.9 | Confident | 71.5 | Confident | 71 Ų | 71 | 109 Ų | 109 | 36% | 0.364 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -62 | -44.9 | 176.1 | -67.6 | 167.2 | 0 | 0 | 0 | 110.5 | T129 Q135 A136 Q137 | T129-I133 VanDerWaalsContact O-CG1 3.27Å; T129-I133 WeakPolarHBondContact O-CG1 3.46Å; T129-I133 PolarHBondContact O-N 2.96Å; I133-Q135 VanDerWaalsContact C-N 3.31Å; I133-Q135 PolarHBondContact O-N 3.39Å; I133-A136 PolarHBondContact O-N 2.88Å; I133-Q137 VanDerWaalsContact CG2-CD 3.49Å; I133-Q137 HydrophobicContact CG2-CG 4.06Å; I133-Q137 VanDerWaalsContact O-CB 3.29Å; I133-Q137 WeakPolarHBondContact O-CB 3.42Å; I133-Q137 WeakPolarHBondContact O-CG 3.49Å; I133-Q137 PolarHBondContact O-N 3.39Å |
| 134 | S | 78.5 | Confident | 71.3 | Confident | 52 Ų | 52 | 112.1 Ų | 112.1 | 36% | 0.364 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.1 | -37.3 | 176.4 | -62.6 | 0 | 0 | 0 | 0 | 112.8 | P130 V131 G138 I139 | P130-S134 WeakPolarHBondContact O-CB 3.3Å; P130-S134 PolarHBondContact O-N 3Å; P130-S134 PolarHBondContact O-OG 2.8Å; V131-S134 PolarHBondContact O-N 3.23Å; S134-G138 PolarHBondContact O-N 2.92Å; S134-I139 PolarHBondContact O-N 3.21Å |
| 135 | Q | 78.4 | Confident | 70.8 | Confident | 148 Ų | 148 | 114.4 Ų | 114.4 | 69% | 0.692 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -68.5 | -43.8 | 173.9 | -74 | 176.2 | -2.5 | 0 | 0 | 112.2 | V131 W132 I133 | V131-Q135 WeakPolarHBondContact O-CG 3.19Å; V131-Q135 PolarHBondContact O-N 2.73Å; W132-Q135 PolarHBondContact O-N 2.98Å; I133-Q135 VanDerWaalsContact C-N 3.31Å; I133-Q135 PolarHBondContact O-N 3.39Å |
| 136 | A | 78.1 | Confident | 70.4 | Confident | 72 Ų | 72 | 117.4 Ų | 117.4 | 60% | 0.595 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -74.3 | -37.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | W132 I133 | W132-A136 VanDerWaalsContact O-CB 3.3Å; W132-A136 WeakPolarHBondContact O-CB 3.44Å; W132-A136 PolarHBondContact O-N 2.7Å; I133-A136 PolarHBondContact O-N 2.88Å |
| 137 | Q | 74.5 | Confident | 69.8 | Low | 132 Ų | 132 | 117.3 Ų | 117.3 | 62% | 0.617 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -89.4 | -5.5 | -179.4 | -64.6 | -175.6 | -13.9 | 0 | 0 | 113.1 | I133 I139 | I133-Q137 VanDerWaalsContact CG2-CD 3.49Å; I133-Q137 HydrophobicContact CG2-CG 4.06Å; I133-Q137 VanDerWaalsContact O-CB 3.29Å; I133-Q137 WeakPolarHBondContact O-CB 3.42Å; I133-Q137 WeakPolarHBondContact O-CG 3.49Å; I133-Q137 PolarHBondContact O-N 3.39Å; Q137-I139 HydrophobicContact CB-CD1 4.2Å; Q137-I139 HydrophobicContact CB-CG1 3.92Å; Q137-I139 PolarHBondContact O-N 2.83Å; Q137-I139 VanDerWaalsContact O-N 3.14Å |
| 138 | G | 67.2 | Low | 69.5 | Low | 58 Ų | 58 | 115.4 Ų | 115.4 | 60% | 0.598 | 64% | 0.637 | S | S | * | * | trans | 66 | 11.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S134 R140 | S134-G138 PolarHBondContact O-N 2.92Å; G138-R140 PolarHBondContact O-N 2.83Å | ||
| 139 | I | 63.3 | Low | 69 | Low | 100 Ų | 100 | 118.8 Ų | 118.8 | 51% | 0.513 | 65% | 0.653 | S | S | . | * | trans | -78.5 | 88.5 | 178.7 | -53.9 | -174.4 | 0 | 0 | 0 | 107.5 | S134 Q137 A141 | S134-I139 PolarHBondContact O-N 3.21Å; Q137-I139 HydrophobicContact CB-CD1 4.2Å; Q137-I139 HydrophobicContact CB-CG1 3.92Å; Q137-I139 PolarHBondContact O-N 2.83Å; Q137-I139 VanDerWaalsContact O-N 3.14Å; I139-A141 PolarHBondContact O-N 2.87Å | ||
| 140 | R | 63.4 | Low | 68.4 | Low | 238 Ų | 238 | 120.7 Ų | 120.7 | 90% | 0.898 | 66% | 0.66 | S | S | * | * | trans | -62.7 | 105.9 | 163.3 | -75.3 | -170.9 | 176.7 | -138.3 | 1.2 | 107.2 | G138 G142 | G138-R140 PolarHBondContact O-N 2.83Å; R140-G142 PolarHBondContact O-N 2.82Å | ||
| 141 | A | 65.7 | Low | 67.8 | Low | 86 Ų | 86 | 123.6 Ų | 123.6 | 71% | 0.711 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -49.6 | 126.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I139 | I139-A141 PolarHBondContact O-N 2.87Š|
| 142 | G | 60.1 | Low | 67 | Low | 59 Ų | 59 | 126.3 Ų | 126.3 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -60 | 168.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | R140 Q144 | R140-G142 PolarHBondContact O-N 2.82Å; G142-Q144 PolarHBondContact O-N 3.13Å; G142-Q144 VanDerWaalsContact O-N 3.13Å |
| 143 | P | 56.5 | Low | 66.2 | Low | 125 Ų | 125 | 125.1 Ų | 125.1 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 118.8 | -166.8 | 22.4 | -32.2 | 0 | 0 | 0 | 112 | R145 | P143-R145 VanDerWaalsContact C-N 3.33Å; P143-R145 PolarHBondContact O-N 2.95Å |
| 144 | Q | 57.2 | Low | 65.2 | Low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | -69.9 | 90.8 | 171.1 | -170.8 | 158.9 | -28.9 | 0 | 0 | 108.3 | G142 L146 | G142-Q144 PolarHBondContact O-N 3.13Å; G142-Q144 VanDerWaalsContact O-N 3.13Å; Q144-L146 PolarHBondContact O-N 3.35Å | ||
| 145 | R | 51.8 | Low | 64.2 | Low | 216 Ų | 216 | 134.9 Ų | 134.9 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | -67.7 | 117.7 | 164.1 | -71.7 | -170.5 | 176.6 | -100.9 | 1.2 | 107.9 | P143 | P143-R145 VanDerWaalsContact C-N 3.33Å; P143-R145 PolarHBondContact O-N 2.95Å | ||
| 146 | L | 57.9 | Low | 63.1 | Low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | -116.6 | 107.6 | 150.1 | -66.6 | 177.7 | 0 | 0 | 0 | 105.6 | Q144 | Q144-L146 PolarHBondContact O-N 3.35Š| ||
| 147 | T | 61.1 | Low | 61.7 | Low | 196 Ų | 196 | 139.5 Ų | 139.5 | 100% | 1.202 | 76% | 0.761 | S | S | * | * | trans | -94.8 | 0 | 159.6 | -54.1 | 0 | 0 | 0 | 0 | 106.6 |
Retrieved 147 of 147 residues in 32 ms
(Link to these results)