| 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 | 29 | Very low | 33.5 | Very low | 255 Ų | 255 | 136.3 Ų | 136.3 | 100% | 1.256 | 78% | 0.784 | S | S | * | * | 0 | 138.5 | 0 | -65.4 | -162.6 | -161 | 0 | 0 | 108.6 | |||||
| 2 | G | 33.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 134 Ų | 134 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | 162.9 | 62.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A4 | G2-A4 PolarHBondContact O-N 3.4Š| ||
| 3 | V | 36.5 | Very low | 32.9 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -75.9 | 105.2 | 172.9 | -86.5 | 0 | 0 | 0 | 0 | 108.6 | S5 | V3-S5 PolarHBondContact O-N 3.49Š| ||
| 4 | A | 34 | Very low | 33 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | trans | -65.3 | 96.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | G2 I6 | G2-A4 PolarHBondContact O-N 3.4Å; A4-I6 PolarHBondContact O-N 3.01Å; A4-I6 VanDerWaalsContact O-N 3.11Å | ||
| 5 | S | 31.4 | Very low | 32.7 | Very low | 89 Ų | 89 | 132.1 Ų | 132.1 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | trans | -69.4 | 105 | 175.9 | -69 | 0 | 0 | 0 | 0 | 108.7 | V3 H7 | V3-S5 PolarHBondContact O-N 3.49Å; S5-H7 PolarHBondContact O-CD2 3.41Å; S5-H7 PolarHBondContact O-N 3.16Å; S5-H7 VanDerWaalsContact O-N 3.07Å | ||
| 6 | I | 36.9 | Very low | 33.1 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -75.8 | 94.8 | 172.1 | -60.1 | 172.8 | 0 | 0 | 0 | 106.4 | A4 F8 | A4-I6 PolarHBondContact O-N 3.01Å; A4-I6 VanDerWaalsContact O-N 3.11Å; I6-F8 VanDerWaalsContact C-N 3.34Å; I6-F8 PolarHBondContact O-N 3Å | ||
| 7 | H | 28 | Very low | 33.2 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -66.7 | 94.2 | 172 | -74.8 | -100.1 | 0 | 0 | 0 | 108.8 | S5 V9 | S5-H7 PolarHBondContact O-CD2 3.41Å; S5-H7 PolarHBondContact O-N 3.16Å; S5-H7 VanDerWaalsContact O-N 3.07Å; H7-V9 HydrophobicContact CB-CG2 4.33Å; H7-V9 PolarHBondContact O-N 3.09Å | ||
| 8 | F | 35.5 | Very low | 33.3 | Very low | 180 Ų | 180 | 143 Ų | 143 | 79% | 0.789 | 79% | 0.786 | S | S | * | * | trans | -71.5 | 84.7 | 166 | -157.2 | -95.7 | 0 | 0 | 0 | 106.8 | I6 T10 | I6-F8 VanDerWaalsContact C-N 3.34Å; I6-F8 PolarHBondContact O-N 3Å; F8-T10 PolarHBondContact O-N 3.37Å | ||
| 9 | V | 32.2 | Very low | 33.5 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | trans | -68.2 | 90.8 | 174.3 | -176.9 | 0 | 0 | 0 | 0 | 106.8 | H7 L11 | H7-V9 HydrophobicContact CB-CG2 4.33Å; H7-V9 PolarHBondContact O-N 3.09Å; V9-L11 HydrophobicContact CG1-CD1 3.96Å; V9-L11 HydrophobicContact CG1-CG 4.36Å; V9-L11 PolarHBondContact O-N 3.46Å | ||
| 10 | T | 37.4 | Very low | 33.7 | Very low | 98 Ų | 98 | 140.6 Ų | 140.6 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | trans | -62.5 | 89.6 | 164.9 | -55.1 | 0 | 0 | 0 | 0 | 106.6 | F8 C12 | F8-T10 PolarHBondContact O-N 3.37Å; T10-C12 VanDerWaalsContact CG2-SG 3.54Å; T10-C12 PolarHBondContact O-N 3.33Å | ||
| 11 | L | 34.4 | Very low | 34 | Very low | 149 Ų | 149 | 138.5 Ų | 138.5 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | trans | -65.6 | 75.8 | 165.9 | -93.3 | 113.3 | 0 | 0 | 0 | 108.4 | V9 S13 | V9-L11 HydrophobicContact CG1-CD1 3.96Å; V9-L11 HydrophobicContact CG1-CG 4.36Å; V9-L11 PolarHBondContact O-N 3.46Å; L11-S13 PolarHBondContact O-N 3Å | ||
| 12 | C | 28.2 | Very low | 34.7 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | -74 | 69.3 | 155.7 | -76.4 | 0 | 0 | 0 | 0 | 107.2 | T10 S14 | T10-C12 VanDerWaalsContact CG2-SG 3.54Å; T10-C12 PolarHBondContact O-N 3.33Å; C12-S14 PolarHBondContact O-N 3.15Å; C12-S14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | S | 30.3 | Very low | 35.2 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 62% | 0.622 | 72% | 0.723 | S | S | * | * | trans | -68.1 | 107.7 | 169.7 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | L11 Q15 | L11-S13 PolarHBondContact O-N 3Å; S13-Q15 VanDerWaalsContact C-N 3.33Å; S13-Q15 PolarHBondContact O-N 3.4Å | ||
| 14 | S | 34.3 | Very low | 35.3 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -58.8 | 85.6 | 171.1 | 35.6 | 0 | 0 | 0 | 0 | 110.9 | C12 | C12-S14 PolarHBondContact O-N 3.15Å; C12-S14 VanDerWaalsContact O-N 3.08Å | ||
| 15 | Q | 29.2 | Very low | 35.8 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 80% | 0.799 | 70% | 0.703 | S | S | * | * | trans | -134.8 | 116 | 158 | -78.5 | -164.6 | -19 | 0 | 0 | 110.3 | S13 R17 | S13-Q15 VanDerWaalsContact C-N 3.33Å; S13-Q15 PolarHBondContact O-N 3.4Å; Q15-R17 PolarHBondContact O-N 3Å | ||
| 16 | P | 39 | Very low | 36.4 | Very low | 121 Ų | 121 | 137.4 Ų | 137.4 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | trans | -85.7 | 103.6 | 174 | 32.4 | -25.9 | 0 | 0 | 0 | 107.7 | ||||
| 17 | R | 34.3 | Very low | 37 | Very low | 233 Ų | 233 | 134.5 Ų | 134.5 | 88% | 0.879 | 69% | 0.694 | S | S | * | * | trans | -165.2 | 105.3 | 156.4 | -105.8 | 151 | -161 | -102.5 | 5.4 | 111.2 | Q15 | Q15-R17 PolarHBondContact O-N 3Š| ||
| 18 | R | 35.3 | Very low | 37.8 | Very low | 239 Ų | 239 | 132 Ų | 132 | 90% | 0.902 | 69% | 0.686 | S | S | * | * | trans | 19.4 | 128.7 | 136.2 | -62.8 | -176.1 | 173.5 | -150.9 | -2.3 | 116.2 | ||||
| 19 | Q | 37.1 | Very low | 38.4 | Very low | 203 Ų | 203 | 128.2 Ų | 128.2 | 95% | 0.949 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 92.7 | 100.3 | 177.2 | -63.9 | -175.5 | -16.9 | 0 | 0 | 115.1 | ||
| 20 | G | 36.7 | Very low | 39.4 | Very low | 34 Ų | 34 | 125.9 Ų | 125.9 | 35% | 0.351 | 67% | 0.666 | S | S | . | * | trans | 116.7 | 42.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | K22 S23 | G20-K22 PolarHBondContact O-N 3.14Å; G20-S23 WeakPolarHBondContact O-CB 3.49Å; G20-S23 PolarHBondContact O-N 2.94Å; G20-S23 PolarHBondContact O-OG 3.48Å | ||
| 21 | S | 40.8 | Very low | 40 | Very low | 97 Ų | 97 | 123.3 Ų | 123.3 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -54 | -25.5 | 166.7 | -37.2 | 0 | 0 | 0 | 0 | 112.3 | S23 I25 | S21-S23 VanDerWaalsContact C-N 3.3Å; S21-S23 PolarHBondContact O-N 3.3Å; S21-I25 WeakPolarHBondContact O-CG1 3.46Å |
| 22 | K | 43.6 | Very low | 40.8 | Very low | 169 Ų | 169 | 119 Ų | 119 | 74% | 0.735 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -68.7 | -21.6 | 171.6 | -67.4 | -174.2 | -178.6 | 177.4 | 0 | 113.9 | G20 R26 | G20-K22 PolarHBondContact O-N 3.14Å; K22-R26 WeakPolarHBondContact O-CG 3.4Å; K22-R26 PolarHBondContact O-NE 3.44Å |
| 23 | S | 43.4 | Very low | 42 | Very low | 58 Ų | 58 | 121 Ų | 121 | 41% | 0.406 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -83.9 | -47 | -179.6 | 72.6 | 0 | 0 | 0 | 0 | 111.4 | G20 S21 I25 R26 V27 | G20-S23 WeakPolarHBondContact O-CB 3.49Å; G20-S23 PolarHBondContact O-N 2.94Å; G20-S23 PolarHBondContact O-OG 3.48Å; S21-S23 VanDerWaalsContact C-N 3.3Å; S21-S23 PolarHBondContact O-N 3.3Å; S23-I25 PolarHBondContact O-N 3.49Å; S23-R26 WeakPolarHBondContact O-CB 3.43Å; S23-R26 PolarHBondContact O-N 3Å; S23-V27 WeakPolarHBondContact O-CG2 3.47Å; S23-V27 PolarHBondContact O-N 3.49Å |
| 24 | I | 40 | Very low | 43.1 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.6 | -43.1 | -176.2 | -59.9 | 170.8 | 0 | 0 | 0 | 111.3 | R26 V27 N28 | I24-R26 VanDerWaalsContact C-N 3.3Å; I24-R26 PolarHBondContact O-N 3.08Å; I24-V27 PolarHBondContact O-N 3.09Å; I24-N28 PolarHBondContact O-N 3.35Å |
| 25 | I | 44.8 | Very low | 44.1 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 60% | 0.6 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.2 | -37.3 | 176.8 | -61.6 | 173 | 0 | 0 | 0 | 111.1 | S21 S23 N28 L29 | S21-I25 WeakPolarHBondContact O-CG1 3.46Å; S23-I25 PolarHBondContact O-N 3.49Å; I25-N28 PolarHBondContact O-N 2.98Å; I25-L29 PolarHBondContact O-N 3.21Å; I25-L29 VanDerWaalsContact O-N 3.09Å |
| 26 | R | 42.5 | Very low | 45.1 | Very low | 175 Ų | 175 | 118.5 Ų | 118.5 | 66% | 0.66 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.4 | -40.6 | 178.2 | -79.7 | -170.3 | -77.2 | -173.6 | 1.5 | 112 | K22 S23 I24 L29 A30 | K22-R26 WeakPolarHBondContact O-CG 3.4Å; K22-R26 PolarHBondContact O-NE 3.44Å; S23-R26 WeakPolarHBondContact O-CB 3.43Å; S23-R26 PolarHBondContact O-N 3Å; I24-R26 VanDerWaalsContact C-N 3.3Å; I24-R26 PolarHBondContact O-N 3.08Å; R26-L29 PolarHBondContact O-N 2.98Å; R26-A30 WeakPolarHBondContact O-CB 3.41Å; R26-A30 PolarHBondContact O-N 3.48Å |
| 27 | V | 50.6 | Low | 45.8 | Very low | 95 Ų | 95 | 117.4 Ų | 117.4 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.7 | -44.8 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 110.4 | S23 I24 L29 A30 A31 | S23-V27 WeakPolarHBondContact O-CG2 3.47Å; S23-V27 PolarHBondContact O-N 3.49Å; I24-V27 PolarHBondContact O-N 3.09Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 2.9Å; V27-A30 PolarHBondContact O-N 3.36Å; V27-A31 WeakPolarHBondContact O-CB 3.29Å; V27-A31 PolarHBondContact O-N 3.2Å |
| 28 | N | 45.2 | Very low | 46.6 | Very low | 107 Ų | 107 | 111.6 Ų | 111.6 | 57% | 0.572 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.2 | -36.6 | 179.1 | -72.7 | -17.9 | 0 | 0 | 0 | 112.9 | I24 I25 A32 | I24-N28 PolarHBondContact O-N 3.35Å; I25-N28 PolarHBondContact O-N 2.98Å; N28-A32 VanDerWaalsContact O-CB 3.31Å; N28-A32 WeakPolarHBondContact O-CB 3.38Å; N28-A32 PolarHBondContact O-N 3.03Å |
| 29 | L | 48.3 | Very low | 47.4 | Very low | 100 Ų | 100 | 105.6 Ų | 105.6 | 52% | 0.524 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -72.2 | -38.6 | 176.1 | -174.1 | 64.5 | 0 | 0 | 0 | 112.4 | I25 R26 V27 A32 K33 | I25-L29 PolarHBondContact O-N 3.21Å; I25-L29 VanDerWaalsContact O-N 3.09Å; R26-L29 PolarHBondContact O-N 2.98Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 2.9Å; L29-A32 PolarHBondContact O-N 3.27Å; L29-K33 WeakPolarHBondContact O-CB 3.44Å; L29-K33 WeakPolarHBondContact O-CG 3.37Å; L29-K33 PolarHBondContact O-N 2.93Å |
| 30 | A | 52 | Low | 48.2 | Very low | 58 Ų | 58 | 100 Ų | 100 | 48% | 0.479 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R26 V27 A32 K33 Q34 | R26-A30 WeakPolarHBondContact O-CB 3.41Å; R26-A30 PolarHBondContact O-N 3.48Å; V27-A30 PolarHBondContact O-N 3.36Å; A30-A32 PolarHBondContact O-N 3.32Å; A30-K33 PolarHBondContact O-N 3.42Å; A30-Q34 WeakPolarHBondContact O-CB 3.4Å; A30-Q34 PolarHBondContact O-N 2.88Å |
| 31 | A | 51 | Low | 48.9 | Very low | 44 Ų | 44 | 106.4 Ų | 106.4 | 36% | 0.364 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V27 Q34 M35 | V27-A31 WeakPolarHBondContact O-CB 3.29Å; V27-A31 PolarHBondContact O-N 3.2Å; A31-Q34 PolarHBondContact O-N 2.74Å; A31-M35 WeakPolarHBondContact O-CB 3.35Å; A31-M35 VanDerWaalsContact O-CG 3.28Å; A31-M35 WeakPolarHBondContact O-CG 3.41Å; A31-M35 PolarHBondContact O-N 3.33Å |
| 32 | A | 50.3 | Low | 49.3 | Very low | 58 Ų | 58 | 107.4 Ų | 107.4 | 48% | 0.479 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.1 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | N28 L29 A30 G36 | N28-A32 VanDerWaalsContact O-CB 3.31Å; N28-A32 WeakPolarHBondContact O-CB 3.38Å; N28-A32 PolarHBondContact O-N 3.03Å; L29-A32 PolarHBondContact O-N 3.27Å; A30-A32 PolarHBondContact O-N 3.32Å; A32-G36 PolarHBondContact O-N 2.89Å |
| 33 | K | 52.8 | Low | 49.5 | Very low | 151 Ų | 151 | 104.1 Ų | 104.1 | 66% | 0.657 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 174.2 | -79.5 | -174.5 | 174.8 | -174.5 | 0 | 111.6 | L29 A30 G36 L37 | L29-K33 WeakPolarHBondContact O-CB 3.44Å; L29-K33 WeakPolarHBondContact O-CG 3.37Å; L29-K33 PolarHBondContact O-N 2.93Å; A30-K33 PolarHBondContact O-N 3.42Å; K33-G36 PolarHBondContact O-N 2.92Å; K33-L37 WeakPolarHBondContact O-CB 3.34Å; K33-L37 PolarHBondContact O-N 3.39Å |
| 34 | Q | 54.3 | Low | 49.6 | Very low | 148 Ų | 148 | 103.8 Ų | 103.8 | 69% | 0.692 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -71.7 | -40.7 | -177.9 | -158.6 | 177.3 | 9.4 | 0 | 0 | 111.7 | A30 A31 L37 H38 | A30-Q34 WeakPolarHBondContact O-CB 3.4Å; A30-Q34 PolarHBondContact O-N 2.88Å; A31-Q34 PolarHBondContact O-N 2.74Å; Q34-L37 PolarHBondContact O-N 3.32Å; Q34-H38 WeakPolarHBondContact O-CB 3.44Å; Q34-H38 PolarHBondContact O-N 3.46Å |
| 35 | M | 54.9 | Low | 49.6 | Very low | 136 Ų | 136 | 103.6 Ų | 103.6 | 67% | 0.67 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64 | -43.4 | 172.7 | -71.7 | -135.7 | -65.5 | 0 | 0 | 111.5 | A31 L37 H38 L39 | A31-M35 WeakPolarHBondContact O-CB 3.35Å; A31-M35 VanDerWaalsContact O-CG 3.28Å; A31-M35 WeakPolarHBondContact O-CG 3.41Å; A31-M35 PolarHBondContact O-N 3.33Å; M35-L37 VanDerWaalsContact C-N 3.34Å; M35-L37 PolarHBondContact O-N 2.99Å; M35-H38 PolarHBondContact O-N 2.89Å; M35-L39 WeakPolarHBondContact O-CB 3.45Å; M35-L39 PolarHBondContact O-N 3.17Å |
| 36 | G | 50.9 | Low | 49.5 | Very low | 36 Ų | 36 | 105.4 Ų | 105.4 | 37% | 0.371 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.3 | -45.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A32 K33 L39 V40 | A32-G36 PolarHBondContact O-N 2.89Å; K33-G36 PolarHBondContact O-N 2.92Å; G36-L39 PolarHBondContact O-N 3Å; G36-V40 VanDerWaalsContact O-CG2 3.3Å; G36-V40 WeakPolarHBondContact O-CG2 3.4Å; G36-V40 PolarHBondContact O-N 3.38Å; G36-V40 VanDerWaalsContact O-N 3.07Å |
| 37 | L | 52.6 | Low | 49.3 | Very low | 99 Ų | 99 | 100 Ų | 100 | 52% | 0.518 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.6 | -37.6 | 177.3 | -151.6 | 89.1 | 0 | 0 | 0 | 112.4 | K33 Q34 M35 V40 R41 | K33-L37 WeakPolarHBondContact O-CB 3.34Å; K33-L37 PolarHBondContact O-N 3.39Å; Q34-L37 PolarHBondContact O-N 3.32Å; M35-L37 VanDerWaalsContact C-N 3.34Å; M35-L37 PolarHBondContact O-N 2.99Å; L37-V40 PolarHBondContact O-N 2.92Å; L37-R41 WeakPolarHBondContact O-CG 3.33Å; L37-R41 PolarHBondContact O-N 2.99Å |
| 38 | H | 50.8 | Low | 48.6 | Very low | 111 Ų | 111 | 103.4 Ų | 103.4 | 51% | 0.514 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.7 | -41.3 | 177.7 | -162.7 | 81.4 | 0 | 0 | 0 | 111.3 | Q34 M35 R41 Q42 | Q34-H38 WeakPolarHBondContact O-CB 3.44Å; Q34-H38 PolarHBondContact O-N 3.46Å; M35-H38 PolarHBondContact O-N 2.89Å; H38-R41 PolarHBondContact O-N 3.31Å; H38-Q42 PolarHBondContact NE2-NE2 3.43Å; H38-Q42 PolarHBondContact O-N 3.37Å |
| 39 | L | 52.5 | Low | 48.1 | Very low | 113 Ų | 113 | 105.6 Ų | 105.6 | 59% | 0.592 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.6 | -44 | 174.9 | -124.5 | 112.5 | 0 | 0 | 0 | 111.5 | M35 G36 R41 Q42 M43 | M35-L39 WeakPolarHBondContact O-CB 3.45Å; M35-L39 PolarHBondContact O-N 3.17Å; G36-L39 PolarHBondContact O-N 3Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.29Å; L39-Q42 PolarHBondContact O-N 3Å; L39-M43 WeakPolarHBondContact O-CB 3.5Å; L39-M43 WeakPolarHBondContact O-CG 3.43Å; L39-M43 PolarHBondContact O-N 3.32Å |
| 40 | V | 54 | Low | 47.3 | Very low | 84 Ų | 84 | 109.9 Ų | 109.9 | 51% | 0.509 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.6 | -39.9 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | G36 L37 G44 | G36-V40 VanDerWaalsContact O-CG2 3.3Å; G36-V40 WeakPolarHBondContact O-CG2 3.4Å; G36-V40 PolarHBondContact O-N 3.38Å; G36-V40 VanDerWaalsContact O-N 3.07Å; L37-V40 PolarHBondContact O-N 2.92Å; V40-G44 PolarHBondContact O-N 3.37Å |
| 41 | R | 51.1 | Low | 46.4 | Very low | 169 Ų | 169 | 111.6 Ų | 111.6 | 64% | 0.638 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.2 | -42.8 | 176 | -77.2 | -178.5 | 179.1 | 171.8 | 0.2 | 112.6 | L37 H38 L39 G44 M45 | L37-R41 WeakPolarHBondContact O-CG 3.33Å; L37-R41 PolarHBondContact O-N 2.99Å; H38-R41 PolarHBondContact O-N 3.31Å; L39-R41 VanDerWaalsContact C-N 3.32Å; L39-R41 PolarHBondContact O-N 3.29Å; R41-G44 PolarHBondContact O-N 2.99Å; R41-M45 WeakPolarHBondContact O-CB 3.33Å; R41-M45 WeakPolarHBondContact O-CG 3.5Å; R41-M45 PolarHBondContact O-N 3.43Å |
| 42 | Q | 48.8 | Very low | 45.8 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 55% | 0.551 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -65.2 | -42.9 | 176.7 | -75.5 | -164.9 | 1.5 | 0 | 0 | 111.9 | H38 L39 M45 Q46 | H38-Q42 PolarHBondContact NE2-NE2 3.43Å; H38-Q42 PolarHBondContact O-N 3.37Å; L39-Q42 PolarHBondContact O-N 3Å; Q42-M45 PolarHBondContact O-N 3.43Å; Q42-Q46 PolarHBondContact O-N 3.5Å |
| 43 | M | 49.7 | Very low | 44.8 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 50% | 0.498 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -67.7 | -38.9 | 177.3 | -66.7 | -95.9 | -73.7 | 0 | 0 | 111.9 | L39 M45 Q46 A86 | L39-M43 WeakPolarHBondContact O-CB 3.5Å; L39-M43 WeakPolarHBondContact O-CG 3.43Å; L39-M43 PolarHBondContact O-N 3.32Å; M43-M45 VanDerWaalsContact C-N 3.29Å; M43-M45 PolarHBondContact O-N 2.89Å; M43-Q46 PolarHBondContact O-N 2.95Å; M43-A86 HydrophobicContact CE-CB 3.73Å |
| 44 | G | 43.8 | Very low | 43.8 | Very low | 51 Ų | 51 | 124.3 Ų | 124.3 | 53% | 0.526 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -68.2 | -26.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V40 R41 | V40-G44 PolarHBondContact O-N 3.37Å; R41-G44 PolarHBondContact O-N 2.99Å |
| 45 | M | 41.4 | Very low | 42.6 | Very low | 105 Ų | 105 | 122.8 Ų | 122.8 | 52% | 0.517 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -84.3 | -26.5 | 176.7 | -69.2 | -94.7 | 62.8 | 0 | 0 | 113.3 | R41 Q42 M43 G47 K48 | R41-M45 WeakPolarHBondContact O-CB 3.33Å; R41-M45 WeakPolarHBondContact O-CG 3.5Å; R41-M45 PolarHBondContact O-N 3.43Å; Q42-M45 PolarHBondContact O-N 3.43Å; M43-M45 VanDerWaalsContact C-N 3.29Å; M43-M45 PolarHBondContact O-N 2.89Å; M45-G47 PolarHBondContact O-N 2.95Å; M45-K48 HydrophobicContact CE-CB 4.4Å; M45-K48 HydrophobicContact CE-CD 3.26Å; M45-K48 HydrophobicContact CE-CG 3.63Å; M45-K48 PolarHBondContact O-N 3.42Å |
| 46 | Q | 43.2 | Very low | 41.4 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.7 | -15 | 168.3 | -77.9 | -171.8 | -21.6 | 0 | 0 | 112.8 | Q42 M43 K48 | Q42-Q46 PolarHBondContact O-N 3.5Å; M43-Q46 PolarHBondContact O-N 2.95Å; Q46-K48 VanDerWaalsContact C-N 3.32Å; Q46-K48 PolarHBondContact O-N 3.3Å |
| 47 | G | 37.7 | Very low | 40.7 | Very low | 62 Ų | 62 | 126.2 Ų | 126.2 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -2.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | M45 L49 | M45-G47 PolarHBondContact O-N 2.95Å; G47-L49 VanDerWaalsContact C-N 3.27Å; G47-L49 PolarHBondContact O-N 3.45Å |
| 48 | K | 36.1 | Very low | 40 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 18.3 | 176.1 | -72.7 | -158.1 | -176.2 | 171.5 | 0 | 114.5 | M45 Q46 K50 | M45-K48 HydrophobicContact CE-CB 4.4Å; M45-K48 HydrophobicContact CE-CD 3.26Å; M45-K48 HydrophobicContact CE-CG 3.63Å; M45-K48 PolarHBondContact O-N 3.42Å; Q46-K48 VanDerWaalsContact C-N 3.32Å; Q46-K48 PolarHBondContact O-N 3.3Å; K48-K50 PolarHBondContact O-N 3.46Å; K48-K50 VanDerWaalsContact O-N 3.15Å |
| 49 | L | 34.3 | Very low | 39.4 | Very low | 153 Ų | 153 | 127.9 Ų | 127.9 | 80% | 0.801 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -78.2 | 96.6 | 166.2 | -81.6 | 162.3 | 0 | 0 | 0 | 109.4 | G47 | G47-L49 VanDerWaalsContact C-N 3.27Å; G47-L49 PolarHBondContact O-N 3.45Å |
| 50 | K | 30.9 | Very low | 38.5 | Very low | 191 Ų | 191 | 129.2 Ų | 129.2 | 83% | 0.83 | 69% | 0.692 | S | S | * | * | trans | 45.2 | 85.9 | 164 | -84.1 | 174.3 | 170.2 | 173.9 | 0 | 114.7 | K48 P52 | K48-K50 PolarHBondContact O-N 3.46Å; K48-K50 VanDerWaalsContact O-N 3.15Å; K50-P52 VanDerWaalsContact O-CD 3.25Å; K50-P52 WeakPolarHBondContact O-CD 3.33Å; K50-P52 VanDerWaalsContact O-N 3.14Å | ||
| 51 | A | 33.6 | Very low | 37.9 | Very low | 94 Ų | 94 | 133.3 Ų | 133.3 | 78% | 0.777 | 71% | 0.705 | S | S | * | * | trans | -56.3 | 115.2 | 148.1 | 0 | 0 | 0 | 0 | 0 | 107 | Q53 | A51-Q53 PolarHBondContact O-N 3.47Å; A51-Q53 VanDerWaalsContact O-N 3.08Å | ||
| 52 | P | 37.7 | Very low | 37.1 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | trans | -67.8 | 114.4 | 172 | 11.2 | 0.4 | 0 | 0 | 0 | 105.6 | K50 R54 | K50-P52 VanDerWaalsContact O-CD 3.25Å; K50-P52 WeakPolarHBondContact O-CD 3.33Å; K50-P52 VanDerWaalsContact O-N 3.14Å; P52-R54 PolarHBondContact O-N 3.38Å | ||
| 53 | Q | 30.4 | Very low | 36.4 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 72% | 0.724 | S | S | * | * | trans | -59.8 | 76.9 | 158.1 | -80.9 | 176.8 | -13.5 | 0 | 0 | 107.5 | A51 C55 | A51-Q53 PolarHBondContact O-N 3.47Å; A51-Q53 VanDerWaalsContact O-N 3.08Å; Q53-C55 PolarHBondContact O-N 2.89Å | ||
| 54 | R | 31.1 | Very low | 35.7 | Very low | 218 Ų | 218 | 135.3 Ų | 135.3 | 82% | 0.823 | 74% | 0.735 | S | S | * | * | trans | -84.1 | 97.2 | 154.8 | -84.7 | -170.7 | 170.5 | 166.5 | -2.3 | 104.7 | P52 L56 | P52-R54 PolarHBondContact O-N 3.38Å; R54-L56 VanDerWaalsContact C-N 3.34Å; R54-L56 PolarHBondContact O-N 2.92Å | ||
| 55 | C | 28.9 | Very low | 35.3 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | trans | -43.1 | 104.5 | 160.1 | -57.9 | 0 | 0 | 0 | 0 | 107.1 | Q53 P57 | Q53-C55 PolarHBondContact O-N 2.89Å; C55-P57 WeakPolarHBondContact O-CD 3.45Å | ||
| 56 | L | 30.9 | Very low | 34.8 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -68.4 | 112.4 | 170.1 | -75.7 | 161.9 | 0 | 0 | 0 | 105.4 | R54 | R54-L56 VanDerWaalsContact C-N 3.34Å; R54-L56 PolarHBondContact O-N 2.92Å | ||
| 57 | P | 34.8 | Very low | 34.2 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | -64.1 | 144.5 | 167.1 | 21.9 | -17.5 | 0 | 0 | 0 | 107.8 | C55 I59 | C55-P57 WeakPolarHBondContact O-CD 3.45Å; P57-I59 WeakPolarHBondContact O-CG1 3.48Å; P57-I59 PolarHBondContact O-N 3Å | ||
| 58 | P | 37.6 | Very low | 34.1 | Very low | 128 Ų | 128 | 141 Ų | 141 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | -59.2 | 115 | -175.1 | 23.5 | -31 | 0 | 0 | 0 | 108.9 | D60 | P58-D60 PolarHBondContact O-N 3.08Å; P58-D60 VanDerWaalsContact O-N 3.16Å | ||
| 59 | I | 38.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 141 Ų | 141 | 60% | 0.595 | 78% | 0.778 | S | S | * | * | trans | -79.5 | 99.3 | -179 | -58.3 | 175.1 | 0 | 0 | 0 | 106.6 | P57 H61 | P57-I59 WeakPolarHBondContact O-CG1 3.48Å; P57-I59 PolarHBondContact O-N 3Å; I59-H61 PolarHBondContact O-N 2.91Å | ||
| 60 | D | 33.7 | Very low | 33.7 | Very low | 141 Ų | 141 | 139 Ų | 139 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | trans | -58.4 | 120.3 | 164.4 | -97.1 | -40.2 | 0 | 0 | 0 | 108.9 | P58 H62 | P58-D60 PolarHBondContact O-N 3.08Å; P58-D60 VanDerWaalsContact O-N 3.16Å; D60-H62 PolarHBondContact O-N 2.98Å | ||
| 61 | H | 42.1 | Very low | 33.9 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 3.7 | -168.9 | -75.8 | -53.8 | 0 | 0 | 0 | 115.5 | I59 | I59-H61 PolarHBondContact O-N 2.91Š|
| 62 | H | 34.9 | Very low | 33.7 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -13.3 | -174.6 | -73.4 | -65.3 | 0 | 0 | 0 | 115.5 | D60 | D60-H62 PolarHBondContact O-N 2.98Š|
| 63 | Q | 33.6 | Very low | 33.9 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -100.5 | -8.6 | -178.6 | -83.2 | -176.9 | 0.5 | 0 | 0 | 115.8 | A65 | Q63-A65 PolarHBondContact O-N 3.05Å; Q63-A65 VanDerWaalsContact O-N 3.1Å |
| 64 | A | 35.3 | Very low | 34 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -5.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 65 | A | 34.3 | Very low | 34.2 | Very low | 92 Ų | 92 | 130 Ų | 130 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -13.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q63 | Q63-A65 PolarHBondContact O-N 3.05Å; Q63-A65 VanDerWaalsContact O-N 3.1Å |
| 66 | C | 30.1 | Very low | 34.5 | Very low | 112 Ų | 112 | 132 Ų | 132 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -120.6 | 12.3 | -165 | -65.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 67 | T | 31.8 | Very low | 34.9 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -139.7 | 66.9 | 177.3 | 34.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 68 | L | 34.8 | Very low | 34.8 | Very low | 169 Ų | 169 | 130.5 Ų | 130.5 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -108.2 | 2.8 | 167.8 | -139.3 | 89.6 | 0 | 0 | 0 | 114.1 | ||||
| 69 | D | 31.8 | Very low | 34.6 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -108.7 | 17.4 | -171.4 | -88.5 | -27.8 | 0 | 0 | 0 | 115.7 | ||
| 70 | S | 30.4 | Very low | 34.8 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | -151 | 62.3 | 178.3 | 22.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 71 | A | 35.7 | Very low | 35.4 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 76% | 0.764 | S | S | * | * | trans | -136.7 | 91.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P73 | A71-P73 WeakPolarHBondContact O-CD 3.47Š| ||
| 72 | S | 29.6 | Very low | 35.5 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | trans | -50 | 113.5 | 167.7 | -177.7 | 0 | 0 | 0 | 0 | 110 | E74 | S72-E74 PolarHBondContact O-N 3.37Š| ||
| 73 | P | 41 | Very low | 36.4 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -91.8 | 77 | 176 | 32.7 | -23 | 0 | 0 | 0 | 108.7 | A71 T75 | A71-P73 WeakPolarHBondContact O-CD 3.47Å; P73-T75 PolarHBondContact O-N 3.5Å | ||
| 74 | E | 33.9 | Very low | 37.9 | Very low | 179 Ų | 179 | 125.1 Ų | 125.1 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | trans | -71.9 | 83.1 | 154.3 | -72.3 | -153.9 | 150.7 | 0 | 0 | 108 | S72 | S72-E74 PolarHBondContact O-N 3.37Š| ||
| 75 | T | 34 | Very low | 39.7 | Very low | 130 Ų | 130 | 124.5 Ų | 124.5 | 80% | 0.798 | 73% | 0.727 | S | S | * | * | trans | -170.8 | 82.9 | 156.9 | 22.4 | 0 | 0 | 0 | 0 | 108.5 | P73 | P73-T75 PolarHBondContact O-N 3.5Š| ||
| 76 | N | 36 | Very low | 41.7 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 84% | 0.84 | 70% | 0.702 | S | S | * | * | trans | -72.1 | 157 | 148.1 | -81.8 | -52.3 | 0 | 0 | 0 | 108.3 | ||||
| 77 | P | 39 | Very low | 44.1 | Very low | 107 Ų | 107 | 117.2 Ų | 117.2 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | cis | -137.5 | 162.8 | 4.9 | 32.8 | -11.6 | 0 | 0 | 0 | 115.2 | ||||
| 78 | S | 32.5 | Very low | 46.5 | Very low | 105 Ų | 105 | 118.6 Ų | 118.6 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | trans | 34.7 | 140.9 | 142.2 | 83.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 79 | M | 34.5 | Very low | 48.9 | Very low | 136 Ų | 136 | 115.5 Ų | 115.5 | 67% | 0.67 | 65% | 0.652 | S | S | * | * | trans | 105 | 37.8 | 163 | -54.5 | -75.7 | -80.1 | 0 | 0 | 117.4 | L81 | M79-L81 HydrophobicContact CE-CB 4.48Å; M79-L81 PolarHBondContact O-N 3.3Å; M79-L81 HydrophobicContact SD-CB 4.2Å | ||
| 80 | N | 41.6 | Very low | 51.4 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | trans | -70.5 | 29.5 | 148 | -101.3 | -35.3 | 0 | 0 | 0 | 112.5 | H82 H83 | N80-H82 PolarHBondContact O-N 3.43Å; N80-H83 PolarHBondContact O-N 3.34Å | ||
| 81 | L | 46.8 | Very low | 53.9 | Low | 115 Ų | 115 | 113.9 Ų | 113.9 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 12.1 | 169.6 | -139 | 87.8 | 0 | 0 | 0 | 112.4 | M79 H83 | M79-L81 HydrophobicContact CE-CB 4.48Å; M79-L81 PolarHBondContact O-N 3.3Å; M79-L81 HydrophobicContact SD-CB 4.2Å; L81-H83 VanDerWaalsContact C-N 3.28Å |
| 82 | H | 44.5 | Very low | 56.5 | Low | 146 Ų | 146 | 118.1 Ų | 118.1 | 68% | 0.676 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 21.3 | 168.5 | -94.8 | -95.2 | 0 | 0 | 0 | 112.5 | N80 N84 | N80-H82 PolarHBondContact O-N 3.43Å; H82-N84 PolarHBondContact O-N 3.07Å |
| 83 | H | 52.8 | Low | 59.3 | Low | 152 Ų | 152 | 115.3 Ų | 115.3 | 70% | 0.704 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -60.9 | 85.6 | 158.9 | -79.6 | -13.8 | 0 | 0 | 0 | 110.2 | N80 L81 | N80-H83 PolarHBondContact O-N 3.34Å; L81-H83 VanDerWaalsContact C-N 3.28Å |
| 84 | N | 65 | Low | 61.7 | Low | 96 Ų | 96 | 115 Ų | 115 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | trans | 60.8 | 66.8 | 156.9 | -148.3 | -13.4 | 0 | 0 | 0 | 115.9 | H82 A86 G87 R88 | H82-N84 PolarHBondContact O-N 3.07Å; N84-A86 PolarHBondContact O-N 3.03Å; N84-A86 WeakPolarHBondContact OD1-CB 3.45Å; N84-G87 WeakPolarHBondContact O-CA 3.28Å; N84-G87 PolarHBondContact O-N 3.26Å; N84-G87 PolarHBondContact OD1-N 3.41Å; N84-R88 PolarHBondContact O-N 3.34Å | ||
| 85 | V | 74.2 | Confident | 64.4 | Low | 75 Ų | 75 | 110.4 Ų | 110.4 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -47.4 | -43.3 | 165.8 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | G87 R88 I89 | V85-G87 PolarHBondContact O-N 2.93Å; V85-R88 PolarHBondContact O-N 2.93Å; V85-I89 HydrophobicContact CG1-CD1 3.8Å; V85-I89 HydrophobicContact CG1-CG1 4.44Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.39Å; V85-I89 PolarHBondContact O-N 3.1Å |
| 86 | A | 76.8 | Confident | 67.2 | Low | 28 Ų | 28 | 109 Ų | 109 | 23% | 0.231 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -60.4 | -45.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | M43 N84 R88 I89 M90 | M43-A86 HydrophobicContact CE-CB 3.73Å; N84-A86 PolarHBondContact O-N 3.03Å; N84-A86 WeakPolarHBondContact OD1-CB 3.45Å; A86-R88 VanDerWaalsContact C-N 3.34Å; A86-R88 PolarHBondContact O-N 3.48Å; A86-I89 PolarHBondContact O-N 3.07Å; A86-M90 WeakPolarHBondContact O-CB 3.35Å; A86-M90 VanDerWaalsContact O-CG 3.32Å; A86-M90 WeakPolarHBondContact O-CG 3.43Å; A86-M90 PolarHBondContact O-N 2.84Å |
| 87 | G | 78.9 | Confident | 69.9 | Low | 22 Ų | 22 | 106 Ų | 106 | 23% | 0.227 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | N84 V85 M90 Y91 | N84-G87 WeakPolarHBondContact O-CA 3.28Å; N84-G87 PolarHBondContact O-N 3.26Å; N84-G87 PolarHBondContact OD1-N 3.41Å; V85-G87 PolarHBondContact O-N 2.93Å; G87-M90 PolarHBondContact O-N 3.4Å; G87-Y91 WeakPolarHBondContact O-CB 3.49Å; G87-Y91 PolarHBondContact O-N 3.14Å |
| 88 | R | 82.6 | Confident | 72.2 | Confident | 148 Ų | 148 | 103.9 Ų | 103.9 | 56% | 0.558 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.5 | -41 | 176 | -65.8 | -177.3 | -175.8 | -173.4 | 0.1 | 112.3 | N84 V85 A86 Y91 R92 | N84-R88 PolarHBondContact O-N 3.34Å; V85-R88 PolarHBondContact O-N 2.93Å; A86-R88 VanDerWaalsContact C-N 3.34Å; A86-R88 PolarHBondContact O-N 3.48Å; R88-Y91 PolarHBondContact O-N 2.94Å; R88-R92 WeakPolarHBondContact O-CB 3.34Å; R88-R92 WeakPolarHBondContact O-CG 3.4Å; R88-R92 PolarHBondContact O-N 2.79Å |
| 89 | I | 86.1 | Confident | 75.1 | Confident | 104 Ų | 104 | 105.3 Ų | 105.3 | 53% | 0.533 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 176.5 | -68.6 | 167 | 0 | 0 | 0 | 110.2 | V85 A86 Y91 R92 A93 | V85-I89 HydrophobicContact CG1-CD1 3.8Å; V85-I89 HydrophobicContact CG1-CG1 4.44Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.39Å; V85-I89 PolarHBondContact O-N 3.1Å; A86-I89 PolarHBondContact O-N 3.07Å; I89-Y91 PolarHBondContact O-N 2.78Å; I89-R92 PolarHBondContact O-N 2.86Å; I89-A93 WeakPolarHBondContact O-CB 3.35Å; I89-A93 PolarHBondContact O-N 3.29Å |
| 90 | M | 83 | Confident | 77.8 | Confident | 104 Ų | 104 | 103.5 Ų | 103.5 | 51% | 0.512 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -45.2 | 177.4 | -72.5 | -172.1 | -64.2 | 0 | 0 | 111.6 | A86 G87 R92 A93 M94 | A86-M90 WeakPolarHBondContact O-CB 3.35Å; A86-M90 VanDerWaalsContact O-CG 3.32Å; A86-M90 WeakPolarHBondContact O-CG 3.43Å; A86-M90 PolarHBondContact O-N 2.84Å; G87-M90 PolarHBondContact O-N 3.4Å; M90-R92 PolarHBondContact O-N 2.92Å; M90-A93 PolarHBondContact O-N 3.46Å; M90-M94 WeakPolarHBondContact O-CB 3.42Å; M90-M94 PolarHBondContact O-N 3.02Å |
| 91 | Y | 83.2 | Confident | 80.2 | Confident | 138 Ų | 138 | 100 Ų | 100 | 54% | 0.541 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61 | -44.8 | 176.9 | -178.5 | -102.3 | 0 | 0 | 0 | 112 | G87 R88 I89 M94 L95 | G87-Y91 WeakPolarHBondContact O-CB 3.49Å; G87-Y91 PolarHBondContact O-N 3.14Å; R88-Y91 PolarHBondContact O-N 2.94Å; I89-Y91 PolarHBondContact O-N 2.78Å; Y91-M94 HydrophobicContact CD2-CE 3.7Å; Y91-M94 HydrophobicContact CE2-CE 3.9Å; Y91-M94 WeakPolarHBondContact O-CB 3.42Å; Y91-M94 PolarHBondContact O-N 3.22Å; Y91-L95 HydrophobicContact CD1-CD1 3.97Å; Y91-L95 HydrophobicContact CD1-CG 4.41Å; Y91-L95 HydrophobicContact CE1-CD1 3.42Å; Y91-L95 VanDerWaalsContact CE1-CD1 3.42Å; Y91-L95 HydrophobicContact CE1-CG 4.04Å; Y91-L95 WeakPolarHBondContact O-CG 3.49Å; Y91-L95 PolarHBondContact O-N 3.06Å |
| 92 | R | 89.7 | Confident | 82.3 | Confident | 179 Ų | 179 | 102.1 Ų | 102.1 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -43.9 | 175.5 | -75.7 | 179.5 | 176.2 | -179.7 | -1 | 112.2 | R88 I89 M90 M94 L95 I96 | R88-R92 WeakPolarHBondContact O-CB 3.34Å; R88-R92 WeakPolarHBondContact O-CG 3.4Å; R88-R92 PolarHBondContact O-N 2.79Å; I89-R92 PolarHBondContact O-N 2.86Å; M90-R92 PolarHBondContact O-N 2.92Å; R92-M94 VanDerWaalsContact C-N 3.32Å; R92-M94 PolarHBondContact O-N 2.85Å; R92-L95 PolarHBondContact O-N 3.09Å; R92-I96 WeakPolarHBondContact O-CG1 3.42Å; R92-I96 PolarHBondContact O-N 2.97Å |
| 93 | A | 88.7 | Confident | 84.4 | Confident | 49 Ų | 49 | 100.4 Ų | 100.4 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I89 M90 L95 I96 V97 | I89-A93 WeakPolarHBondContact O-CB 3.35Å; I89-A93 PolarHBondContact O-N 3.29Å; M90-A93 PolarHBondContact O-N 3.46Å; A93-L95 PolarHBondContact O-N 3.04Å; A93-I96 PolarHBondContact O-N 3.4Å; A93-V97 WeakPolarHBondContact O-CG2 3.47Å; A93-V97 PolarHBondContact O-N 3.14Å |
| 94 | M | 92.2 | Very high | 86.2 | Confident | 103 Ų | 103 | 98.5 Ų | 98.5 | 51% | 0.507 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 175.2 | -176.3 | -179.4 | 69.8 | 0 | 0 | 111.8 | M90 Y91 R92 I96 V97 C98 | M90-M94 WeakPolarHBondContact O-CB 3.42Å; M90-M94 PolarHBondContact O-N 3.02Å; Y91-M94 HydrophobicContact CD2-CE 3.7Å; Y91-M94 HydrophobicContact CE2-CE 3.9Å; Y91-M94 WeakPolarHBondContact O-CB 3.42Å; Y91-M94 PolarHBondContact O-N 3.22Å; R92-M94 VanDerWaalsContact C-N 3.32Å; R92-M94 PolarHBondContact O-N 2.85Å; M94-I96 VanDerWaalsContact C-N 3.34Å; M94-I96 PolarHBondContact O-N 2.81Å; M94-V97 PolarHBondContact O-N 3.39Å; M94-C98 PolarHBondContact O-N 2.96Å; M94-C98 PolarHBondContact O-SG 2.75Å |
| 95 | L | 90.9 | Very high | 87.4 | Confident | 83 Ų | 83 | 99.2 Ų | 99.2 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -41 | 176.9 | -71.3 | -179.6 | 0 | 0 | 0 | 112.7 | Y91 R92 A93 C98 K99 | Y91-L95 HydrophobicContact CD1-CD1 3.97Å; Y91-L95 HydrophobicContact CD1-CG 4.41Å; Y91-L95 HydrophobicContact CE1-CD1 3.42Å; Y91-L95 VanDerWaalsContact CE1-CD1 3.42Å; Y91-L95 HydrophobicContact CE1-CG 4.04Å; Y91-L95 WeakPolarHBondContact O-CG 3.49Å; Y91-L95 PolarHBondContact O-N 3.06Å; R92-L95 PolarHBondContact O-N 3.09Å; A93-L95 PolarHBondContact O-N 3.04Å; L95-C98 PolarHBondContact O-N 3.06Å; L95-K99 WeakPolarHBondContact O-CB 3.45Å; L95-K99 PolarHBondContact O-N 3.44Å |
| 96 | I | 92.8 | Very high | 88.1 | Confident | 102 Ų | 102 | 99.5 Ų | 99.5 | 52% | 0.523 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 176 | -68.2 | 165.7 | 0 | 0 | 0 | 110 | R92 A93 M94 C98 K99 L100 | R92-I96 WeakPolarHBondContact O-CG1 3.42Å; R92-I96 PolarHBondContact O-N 2.97Å; A93-I96 PolarHBondContact O-N 3.4Å; M94-I96 VanDerWaalsContact C-N 3.34Å; M94-I96 PolarHBondContact O-N 2.81Å; I96-C98 PolarHBondContact O-N 3.35Å; I96-K99 PolarHBondContact O-N 3.4Å; I96-L100 HydrophobicContact CG2-CD1 3.94Å; I96-L100 HydrophobicContact CG2-CG 4.4Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 3.36Å |
| 97 | V | 91.4 | Very high | 88.8 | Confident | 92 Ų | 92 | 103.3 Ų | 103.3 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.2 | -44.5 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | A93 M94 K99 L100 D101 | A93-V97 WeakPolarHBondContact O-CG2 3.47Å; A93-V97 PolarHBondContact O-N 3.14Å; M94-V97 PolarHBondContact O-N 3.39Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 2.92Å; V97-L100 PolarHBondContact O-N 2.92Å; V97-D101 PolarHBondContact O-N 2.93Å |
| 98 | C | 89 | Confident | 89.4 | Confident | 64 Ų | 64 | 107 Ų | 107 | 43% | 0.432 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 176.3 | -69.3 | 0 | 0 | 0 | 0 | 112.4 | M94 L95 I96 K102 | M94-C98 PolarHBondContact O-N 2.96Å; M94-C98 PolarHBondContact O-SG 2.75Å; L95-C98 PolarHBondContact O-N 3.06Å; I96-C98 PolarHBondContact O-N 3.35Å; C98-K102 WeakPolarHBondContact O-CG 3.46Å; C98-K102 PolarHBondContact O-N 3.15Å; C98-K102 VanDerWaalsContact O-N 3.15Å |
| 99 | K | 92 | Very high | 89.9 | Confident | 134 Ų | 134 | 107.6 Ų | 107.6 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.9 | -43.8 | 176.5 | -172 | 173.8 | -178.9 | 178.2 | 0 | 111.3 | L95 I96 V97 K102 Q103 | L95-K99 WeakPolarHBondContact O-CB 3.45Å; L95-K99 PolarHBondContact O-N 3.44Å; I96-K99 PolarHBondContact O-N 3.4Å; V97-K99 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 2.92Å; K99-K102 PolarHBondContact O-N 3.14Å; K99-Q103 WeakPolarHBondContact O-CG 2.9Å; K99-Q103 PolarHBondContact O-N 3.37Å |
| 100 | L | 91.1 | Very high | 90.1 | Very high | 99 Ų | 99 | 105.3 Ų | 105.3 | 52% | 0.518 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 177.1 | -70 | 173.3 | 0 | 0 | 0 | 112.1 | I96 V97 Q103 K104 | I96-L100 HydrophobicContact CG2-CD1 3.94Å; I96-L100 HydrophobicContact CG2-CG 4.4Å; I96-L100 WeakPolarHBondContact O-CG 3.44Å; I96-L100 PolarHBondContact O-N 3.36Å; V97-L100 PolarHBondContact O-N 2.92Å; L100-Q103 PolarHBondContact O-N 3.45Å; L100-K104 WeakPolarHBondContact O-CB 3.32Å; L100-K104 PolarHBondContact O-N 2.99Å |
| 101 | D | 91.6 | Very high | 90.4 | Very high | 68 Ų | 68 | 104.5 Ų | 104.5 | 36% | 0.364 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.9 | -175.3 | 66.5 | 0 | 0 | 0 | 111.9 | V97 K104 K105 | V97-D101 PolarHBondContact O-N 2.93Å; D101-K104 PolarHBondContact O-N 3.49Å; D101-K105 WeakPolarHBondContact O-CG 3.44Å; D101-K105 PolarHBondContact O-N 3.39Å; D101-K105 IonicContact OD1-NZ 3.97Å; D101-K105 VanDerWaalsContact OD2-CE 3.3Å; D101-K105 WeakPolarHBondContact OD2-CE 3.41Å; D101-K105 IonicContact OD2-NZ 2.72Å; D101-K105 PolarHBondContact OD2-NZ 2.86Å |
| 102 | K | 90.9 | Very high | 90.8 | Very high | 159 Ų | 159 | 104 Ų | 104 | 69% | 0.691 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.6 | -46 | 173.7 | -72.8 | 178.9 | 179.7 | -175.9 | 0 | 111.8 | C98 K99 K105 S106 | C98-K102 WeakPolarHBondContact O-CG 3.46Å; C98-K102 PolarHBondContact O-N 3.15Å; C98-K102 VanDerWaalsContact O-N 3.15Å; K99-K102 PolarHBondContact O-N 3.14Å; K102-K105 PolarHBondContact O-N 2.98Å; K102-S106 WeakPolarHBondContact O-CB 3.33Å; K102-S106 PolarHBondContact O-N 3.09Å |
| 103 | Q | 89.8 | Confident | 91 | Very high | 110 Ų | 110 | 98.5 Ų | 98.5 | 51% | 0.514 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.7 | -74.7 | -179.8 | -32.5 | 0 | 0 | 111.8 | K99 L100 S106 L107 | K99-Q103 WeakPolarHBondContact O-CG 2.9Å; K99-Q103 PolarHBondContact O-N 3.37Å; L100-Q103 PolarHBondContact O-N 3.45Å; Q103-S106 WeakPolarHBondContact O-CB 3.31Å; Q103-S106 PolarHBondContact O-N 2.85Å; Q103-L107 WeakPolarHBondContact O-CB 3.28Å; Q103-L107 PolarHBondContact O-N 3.3Å |
| 104 | K | 89.4 | Confident | 90.9 | Very high | 111 Ų | 111 | 98.6 Ų | 98.6 | 48% | 0.483 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -51.3 | 175.5 | 179.3 | -171.5 | 165.6 | -168.4 | 0 | 111.3 | L100 D101 S106 L107 E108 | L100-K104 WeakPolarHBondContact O-CB 3.32Å; L100-K104 PolarHBondContact O-N 2.99Å; D101-K104 PolarHBondContact O-N 3.49Å; K104-S106 VanDerWaalsContact C-N 3.28Å; K104-S106 PolarHBondContact O-N 2.91Å; K104-L107 PolarHBondContact O-N 3.28Å; K104-L107 VanDerWaalsContact O-N 3.14Å; K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 HydrophobicContact CG-CG 4.48Å; K104-E108 IonicContact NZ-OE1 3.72Å; K104-E108 WeakPolarHBondContact O-CG 3.34Å; K104-E108 PolarHBondContact O-N 3Å |
| 105 | K | 90.3 | Very high | 90.9 | Very high | 112 Ų | 112 | 97.7 Ų | 97.7 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 178.3 | -74.1 | 169.8 | 176.1 | 160.8 | 0 | 112 | D101 K102 K109 | D101-K105 WeakPolarHBondContact O-CG 3.44Å; D101-K105 PolarHBondContact O-N 3.39Å; D101-K105 IonicContact OD1-NZ 3.97Å; D101-K105 VanDerWaalsContact OD2-CE 3.3Å; D101-K105 WeakPolarHBondContact OD2-CE 3.41Å; D101-K105 IonicContact OD2-NZ 2.72Å; D101-K105 PolarHBondContact OD2-NZ 2.86Å; K102-K105 PolarHBondContact O-N 2.98Å; K105-K109 WeakPolarHBondContact O-CG 3.34Å; K105-K109 PolarHBondContact O-N 3.38Å; K105-K109 VanDerWaalsContact O-N 3.15Å |
| 106 | S | 90.2 | Very high | 90.9 | Very high | 80 Ų | 80 | 99.7 Ų | 99.7 | 56% | 0.559 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.5 | -43 | 175.1 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | K102 Q103 K104 K109 A110 | K102-S106 WeakPolarHBondContact O-CB 3.33Å; K102-S106 PolarHBondContact O-N 3.09Å; Q103-S106 WeakPolarHBondContact O-CB 3.31Å; Q103-S106 PolarHBondContact O-N 2.85Å; K104-S106 VanDerWaalsContact C-N 3.28Å; K104-S106 PolarHBondContact O-N 2.91Å; S106-K109 PolarHBondContact O-N 3.11Å; S106-A110 PolarHBondContact O-N 2.94Å |
| 107 | L | 91.3 | Very high | 90.8 | Very high | 108 Ų | 108 | 102 Ų | 102 | 57% | 0.565 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.7 | -42.2 | 178.9 | -177 | 62.6 | 0 | 0 | 0 | 111.8 | Q103 K104 K109 A110 I111 | Q103-L107 WeakPolarHBondContact O-CB 3.28Å; Q103-L107 PolarHBondContact O-N 3.3Å; K104-L107 PolarHBondContact O-N 3.28Å; K104-L107 VanDerWaalsContact O-N 3.14Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 2.97Å; L107-A110 PolarHBondContact O-N 3.07Å; L107-A110 VanDerWaalsContact O-N 3.14Å; L107-I111 HydrophobicContact CD1-CD1 4.42Å; L107-I111 HydrophobicContact CG-CD1 4.07Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.42Å |
| 108 | E | 91.4 | Very high | 90.7 | Very high | 101 Ų | 101 | 104.2 Ų | 104.2 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.4 | -41.1 | 175.8 | -74.4 | 174.4 | 162.2 | 0 | 0 | 111.6 | K104 L112 | K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 HydrophobicContact CG-CG 4.48Å; K104-E108 IonicContact NZ-OE1 3.72Å; K104-E108 WeakPolarHBondContact O-CG 3.34Å; K104-E108 PolarHBondContact O-N 3Å; E108-L112 PolarHBondContact O-N 2.91Å; E108-L112 VanDerWaalsContact O-N 3.14Å |
| 109 | K | 92.7 | Very high | 90.7 | Very high | 160 Ų | 160 | 104.8 Ų | 104.8 | 70% | 0.696 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -42.1 | 173.1 | -73.4 | -178.5 | 178.3 | -171.9 | 0 | 112.5 | K105 S106 L107 I111 L112 E113 | K105-K109 WeakPolarHBondContact O-CG 3.34Å; K105-K109 PolarHBondContact O-N 3.38Å; K105-K109 VanDerWaalsContact O-N 3.15Å; S106-K109 PolarHBondContact O-N 3.11Å; L107-K109 VanDerWaalsContact C-N 3.3Å; L107-K109 PolarHBondContact O-N 2.97Å; K109-I111 VanDerWaalsContact C-N 3.35Å; K109-L112 PolarHBondContact O-N 3.31Å; K109-E113 PolarHBondContact O-N 3.19Å |
| 110 | A | 89.7 | Confident | 90.7 | Very high | 55 Ų | 55 | 101.8 Ų | 101.8 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S106 L107 E113 A114 | S106-A110 PolarHBondContact O-N 2.94Å; L107-A110 PolarHBondContact O-N 3.07Å; L107-A110 VanDerWaalsContact O-N 3.14Å; A110-E113 PolarHBondContact O-N 3.45Å; A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 3Å |
| 111 | I | 90.9 | Very high | 90.6 | Very high | 88 Ų | 88 | 101.8 Ų | 101.8 | 45% | 0.451 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -48.9 | 175.3 | -68 | 165.2 | 0 | 0 | 0 | 110.3 | L107 K109 E113 A114 D115 | L107-I111 HydrophobicContact CD1-CD1 4.42Å; L107-I111 HydrophobicContact CG-CD1 4.07Å; L107-I111 WeakPolarHBondContact O-CG1 3.46Å; L107-I111 PolarHBondContact O-N 3.42Å; K109-I111 VanDerWaalsContact C-N 3.35Å; I111-E113 VanDerWaalsContact C-N 3.27Å; I111-E113 PolarHBondContact O-N 3.39Å; I111-A114 WeakPolarHBondContact O-CB 3.35Å; I111-A114 PolarHBondContact O-N 3.37Å; I111-A114 VanDerWaalsContact O-N 3.09Å; I111-D115 PolarHBondContact O-N 3.15Å |
| 112 | L | 91.5 | Very high | 90.5 | Very high | 128 Ų | 128 | 101.7 Ų | 101.7 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.1 | -39.4 | 179.5 | -173.9 | 70 | 0 | 0 | 0 | 112.3 | E108 K109 R116 | E108-L112 PolarHBondContact O-N 2.91Å; E108-L112 VanDerWaalsContact O-N 3.14Å; K109-L112 PolarHBondContact O-N 3.31Å; L112-R116 WeakPolarHBondContact O-CB 3.44Å; L112-R116 PolarHBondContact O-N 3.48Å |
| 113 | E | 92.6 | Very high | 90.6 | Very high | 62 Ų | 62 | 99.3 Ų | 99.3 | 29% | 0.29 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.7 | -35.2 | 176.7 | 178.5 | 58 | -163.5 | 0 | 0 | 112.4 | K109 A110 I111 R116 R117 | K109-E113 PolarHBondContact O-N 3.19Å; A110-E113 PolarHBondContact O-N 3.45Å; I111-E113 VanDerWaalsContact C-N 3.27Å; I111-E113 PolarHBondContact O-N 3.39Å; E113-R116 PolarHBondContact O-N 2.8Å; E113-R116 IonicContact OE1-CZ 3.46Å; E113-R116 IonicContact OE1-NE 2.85Å; E113-R116 IonicContact OE1-NH2 3.22Å; E113-R116 PolarHBondContact OE1-NH2 3.3Å; E113-R116 IonicContact OE2-CZ 2.81Å; E113-R116 IonicContact OE2-NE 3.71Å; E113-R116 PolarHBondContact OE2-NE 2.83Å; E113-R116 IonicContact OE2-NH2 3.79Å; E113-R116 PolarHBondContact OE2-NH2 3.31Å; E113-R117 VanDerWaalsContact O-CG 3.28Å; E113-R117 WeakPolarHBondContact O-CG 3.41Å; E113-R117 PolarHBondContact O-N 2.91Å; E113-R117 IonicContact OE1-CZ 3.66Å; E113-R117 IonicContact OE1-NE 2.94Å; E113-R117 PolarHBondContact OE1-NE 3.28Å; E113-R117 IonicContact OE1-NH2 3.48Å; E113-R117 PolarHBondContact OE1-NH2 3.49Å |
| 114 | A | 88.1 | Confident | 90.7 | Very high | 52 Ų | 52 | 98.6 Ų | 98.6 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -47.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A110 I111 R116 R117 E118 | A110-A114 WeakPolarHBondContact O-CB 3.46Å; A110-A114 PolarHBondContact O-N 3Å; I111-A114 WeakPolarHBondContact O-CB 3.35Å; I111-A114 PolarHBondContact O-N 3.37Å; I111-A114 VanDerWaalsContact O-N 3.09Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 2.91Å; A114-R117 PolarHBondContact O-N 3.42Å; A114-R117 VanDerWaalsContact O-N 3.1Å; A114-E118 PolarHBondContact O-N 2.96Å |
| 115 | D | 90.6 | Very high | 90.7 | Very high | 84 Ų | 84 | 98.9 Ų | 98.9 | 45% | 0.449 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 176.6 | -68.8 | -9.2 | 0 | 0 | 0 | 110.7 | I111 R117 E118 T119 | I111-D115 PolarHBondContact O-N 3.15Å; D115-R117 VanDerWaalsContact C-N 3.34Å; D115-R117 PolarHBondContact O-N 2.9Å; D115-E118 PolarHBondContact O-N 2.88Å; D115-T119 WeakPolarHBondContact O-CG2 3.49Å; D115-T119 PolarHBondContact O-N 2.92Å; D115-T119 PolarHBondContact O-OG1 3.32Å |
| 116 | R | 92.4 | Very high | 90.7 | Very high | 124 Ų | 124 | 98 Ų | 98 | 47% | 0.468 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 176.6 | -168.6 | -173.3 | 73.9 | 85.2 | 5.5 | 112.9 | L112 E113 A114 T119 N120 | L112-R116 WeakPolarHBondContact O-CB 3.44Å; L112-R116 PolarHBondContact O-N 3.48Å; E113-R116 PolarHBondContact O-N 2.8Å; E113-R116 IonicContact OE1-CZ 3.46Å; E113-R116 IonicContact OE1-NE 2.85Å; E113-R116 IonicContact OE1-NH2 3.22Å; E113-R116 PolarHBondContact OE1-NH2 3.3Å; E113-R116 IonicContact OE2-CZ 2.81Å; E113-R116 IonicContact OE2-NE 3.71Å; E113-R116 PolarHBondContact OE2-NE 2.83Å; E113-R116 IonicContact OE2-NH2 3.79Å; E113-R116 PolarHBondContact OE2-NH2 3.31Å; A114-R116 VanDerWaalsContact C-N 3.3Å; A114-R116 PolarHBondContact O-N 2.91Å; R116-T119 WeakPolarHBondContact CA-OG1 3.3Å; R116-T119 PolarHBondContact O-OG1 3.39Å; R116-N120 PolarHBondContact NH1-ND2 3.27Å; R116-N120 WeakPolarHBondContact O-CB 3.34Å; R116-N120 PolarHBondContact O-N 3.24Å; R116-N120 VanDerWaalsContact O-N 3.07Å; R116-N120 PolarHBondContact O-ND2 3.02Å |
| 117 | R | 89.6 | Confident | 90.7 | Very high | 152 Ų | 152 | 98.9 Ų | 98.9 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -70.1 | -40.3 | 176.4 | -74.6 | 172.5 | -174.5 | -159.1 | 0.6 | 111.2 | E113 A114 D115 N120 N121 | E113-R117 VanDerWaalsContact O-CG 3.28Å; E113-R117 WeakPolarHBondContact O-CG 3.41Å; E113-R117 PolarHBondContact O-N 2.91Å; E113-R117 IonicContact OE1-CZ 3.66Å; E113-R117 IonicContact OE1-NE 2.94Å; E113-R117 PolarHBondContact OE1-NE 3.28Å; E113-R117 IonicContact OE1-NH2 3.48Å; E113-R117 PolarHBondContact OE1-NH2 3.49Å; A114-R117 PolarHBondContact O-N 3.42Å; A114-R117 VanDerWaalsContact O-N 3.1Å; D115-R117 VanDerWaalsContact C-N 3.34Å; D115-R117 PolarHBondContact O-N 2.9Å; R117-N120 PolarHBondContact O-N 3.27Å; R117-N121 WeakPolarHBondContact O-CB 3.43Å; R117-N121 PolarHBondContact O-N 2.72Å; R117-N121 PolarHBondContact O-ND2 3.04Å; R117-N121 PolarHBondContact O-OD1 3.27Å |
| 118 | E | 89.5 | Confident | 90.8 | Very high | 137 Ų | 137 | 98.4 Ų | 98.4 | 64% | 0.64 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.8 | -46.2 | 176.2 | -173.1 | 172.6 | -171.9 | 0 | 0 | 111.3 | A114 D115 N120 N121 S122 | A114-E118 PolarHBondContact O-N 2.96Å; D115-E118 PolarHBondContact O-N 2.88Å; E118-N120 PolarHBondContact O-N 3.3Å; E118-N121 PolarHBondContact O-N 2.88Å; E118-S122 WeakPolarHBondContact O-CB 3.36Å; E118-S122 PolarHBondContact O-N 3.43Å |
| 119 | T | 90.1 | Very high | 90.8 | Very high | 77 Ų | 77 | 97.5 Ų | 97.5 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.2 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | D115 R116 N121 S122 L123 | D115-T119 WeakPolarHBondContact O-CG2 3.49Å; D115-T119 PolarHBondContact O-N 2.92Å; D115-T119 PolarHBondContact O-OG1 3.32Å; R116-T119 WeakPolarHBondContact CA-OG1 3.3Å; R116-T119 PolarHBondContact O-OG1 3.39Å; T119-N121 VanDerWaalsContact C-N 3.34Å; T119-N121 PolarHBondContact O-N 2.88Å; T119-S122 WeakPolarHBondContact O-CB 3.47Å; T119-S122 PolarHBondContact O-N 3.47Å; T119-L123 WeakPolarHBondContact O-CG 3.3Å; T119-L123 PolarHBondContact O-N 2.85Å |
| 120 | N | 90.1 | Very high | 90.7 | Very high | 70 Ų | 70 | 92.9 Ų | 92.9 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 176.8 | -72.4 | -15.5 | 0 | 0 | 0 | 112.2 | R116 R117 E118 L123 L124 | R116-N120 PolarHBondContact NH1-ND2 3.27Å; R116-N120 WeakPolarHBondContact O-CB 3.34Å; R116-N120 PolarHBondContact O-N 3.24Å; R116-N120 VanDerWaalsContact O-N 3.07Å; R116-N120 PolarHBondContact O-ND2 3.02Å; R117-N120 PolarHBondContact O-N 3.27Å; E118-N120 PolarHBondContact O-N 3.3Å; N120-L123 PolarHBondContact O-N 3.45Å; N120-L124 WeakPolarHBondContact O-CB 3.33Å; N120-L124 PolarHBondContact O-N 3.42Å |
| 121 | N | 90.2 | Very high | 90.7 | Very high | 100 Ų | 100 | 94.6 Ų | 94.6 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66 | -41 | 176.9 | -71.9 | -10.3 | 0 | 0 | 0 | 111.2 | R117 E118 T119 L124 M125 | R117-N121 WeakPolarHBondContact O-CB 3.43Å; R117-N121 PolarHBondContact O-N 2.72Å; R117-N121 PolarHBondContact O-ND2 3.04Å; R117-N121 PolarHBondContact O-OD1 3.27Å; E118-N121 PolarHBondContact O-N 2.88Å; T119-N121 VanDerWaalsContact C-N 3.34Å; T119-N121 PolarHBondContact O-N 2.88Å; N121-L124 PolarHBondContact O-N 2.98Å; N121-M125 WeakPolarHBondContact O-CG 3.48Å; N121-M125 PolarHBondContact O-N 3.38Å |
| 122 | S | 90.2 | Very high | 90.8 | Very high | 65 Ų | 65 | 93.2 Ų | 93.2 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -48.6 | 174 | -170.3 | 0 | 0 | 0 | 0 | 111.4 | E118 T119 L124 M125 D126 | E118-S122 WeakPolarHBondContact O-CB 3.36Å; E118-S122 PolarHBondContact O-N 3.43Å; T119-S122 WeakPolarHBondContact O-CB 3.47Å; T119-S122 PolarHBondContact O-N 3.47Å; S122-L124 VanDerWaalsContact C-N 3.3Å; S122-L124 PolarHBondContact O-N 2.88Å; S122-M125 PolarHBondContact O-N 2.96Å; S122-M125 VanDerWaalsContact O-N 3.17Å; S122-D126 PolarHBondContact O-N 3.25Å |
| 123 | L | 91.1 | Very high | 90.8 | Very high | 110 Ų | 110 | 93.6 Ų | 93.6 | 58% | 0.576 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.2 | -38.5 | 177.9 | -71.3 | 170.7 | 0 | 0 | 0 | 112.3 | T119 N120 D126 L127 | T119-L123 WeakPolarHBondContact O-CG 3.3Å; T119-L123 PolarHBondContact O-N 2.85Å; N120-L123 PolarHBondContact O-N 3.45Å; L123-D126 PolarHBondContact O-N 3.49Å; L123-L127 WeakPolarHBondContact O-CB 3.44Å; L123-L127 PolarHBondContact O-N 3.43Å |
| 124 | L | 91.9 | Very high | 90.7 | Very high | 95 Ų | 95 | 94 Ų | 94 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 175.9 | -176.9 | 64.8 | 0 | 0 | 0 | 111.5 | N120 N121 S122 L127 L128 | N120-L124 WeakPolarHBondContact O-CB 3.33Å; N120-L124 PolarHBondContact O-N 3.42Å; N121-L124 PolarHBondContact O-N 2.98Å; S122-L124 VanDerWaalsContact C-N 3.3Å; S122-L124 PolarHBondContact O-N 2.88Å; L124-L127 PolarHBondContact O-N 2.84Å; L124-L128 HydrophobicContact CG-CD1 4.36Å; L124-L128 WeakPolarHBondContact O-CG 3.43Å; L124-L128 PolarHBondContact O-N 3.31Å |
| 125 | M | 90.3 | Very high | 90.8 | Very high | 116 Ų | 116 | 97.2 Ų | 97.2 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 176.4 | -68.3 | -61.7 | -74.8 | 0 | 0 | 111.6 | N121 S122 L127 L128 I129 | N121-M125 WeakPolarHBondContact O-CG 3.48Å; N121-M125 PolarHBondContact O-N 3.38Å; S122-M125 PolarHBondContact O-N 2.96Å; S122-M125 VanDerWaalsContact O-N 3.17Å; M125-L127 VanDerWaalsContact C-N 3.33Å; M125-L127 PolarHBondContact O-N 2.89Å; M125-L128 PolarHBondContact O-N 3.47Å; M125-L128 HydrophobicContact SD-CD1 4.41Å; M125-I129 VanDerWaalsContact O-CG1 3.29Å; M125-I129 WeakPolarHBondContact O-CG1 3.34Å; M125-I129 PolarHBondContact O-N 3.49Å |
| 126 | D | 91.3 | Very high | 90.9 | Very high | 94 Ų | 94 | 99.2 Ų | 99.2 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 176.6 | -69.8 | -27.4 | 0 | 0 | 0 | 111.9 | S122 L123 I129 S130 | S122-D126 PolarHBondContact O-N 3.25Å; L123-D126 PolarHBondContact O-N 3.49Å; D126-I129 PolarHBondContact O-N 3.07Å; D126-S130 WeakPolarHBondContact O-CB 3.3Å; D126-S130 PolarHBondContact O-N 3.28Å |
| 127 | L | 90.3 | Very high | 90.8 | Very high | 98 Ų | 98 | 100.3 Ų | 100.3 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 176.7 | -173.7 | 68.5 | 0 | 0 | 0 | 111.9 | L123 L124 M125 S130 N131 | L123-L127 WeakPolarHBondContact O-CB 3.44Å; L123-L127 PolarHBondContact O-N 3.43Å; L124-L127 PolarHBondContact O-N 2.84Å; M125-L127 VanDerWaalsContact C-N 3.33Å; M125-L127 PolarHBondContact O-N 2.89Å; L127-S130 PolarHBondContact O-N 3.47Å; L127-N131 WeakPolarHBondContact O-CB 3.33Å; L127-N131 PolarHBondContact O-N 2.98Å |
| 128 | L | 91.6 | Very high | 90.8 | Very high | 98 Ų | 98 | 98 Ų | 98 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 177.1 | -73.6 | 171.3 | 0 | 0 | 0 | 111.7 | L124 M125 N131 S132 | L124-L128 HydrophobicContact CG-CD1 4.36Å; L124-L128 WeakPolarHBondContact O-CG 3.43Å; L124-L128 PolarHBondContact O-N 3.31Å; M125-L128 PolarHBondContact O-N 3.47Å; M125-L128 HydrophobicContact SD-CD1 4.41Å; L128-N131 PolarHBondContact O-N 3.48Å; L128-S132 WeakPolarHBondContact O-CB 3.43Å; L128-S132 PolarHBondContact O-N 3.24Å |
| 129 | I | 91.8 | Very high | 90.9 | Very high | 83 Ų | 83 | 95.4 Ų | 95.4 | 43% | 0.426 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -45.9 | 176.1 | -67.8 | 165.5 | 0 | 0 | 0 | 110.3 | M125 D126 S132 K133 | M125-I129 VanDerWaalsContact O-CG1 3.29Å; M125-I129 WeakPolarHBondContact O-CG1 3.34Å; M125-I129 PolarHBondContact O-N 3.49Å; D126-I129 PolarHBondContact O-N 3.07Å; I129-S132 PolarHBondContact O-N 2.94Å; I129-K133 HydrophobicContact CG2-CD 4.26Å; I129-K133 WeakPolarHBondContact O-CG 3.34Å; I129-K133 PolarHBondContact O-N 2.9Å |
| 130 | S | 90.7 | Very high | 90.8 | Very high | 62 Ų | 62 | 93.8 Ų | 93.8 | 43% | 0.434 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 178 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | D126 L127 S132 K133 V134 | D126-S130 WeakPolarHBondContact O-CB 3.3Å; D126-S130 PolarHBondContact O-N 3.28Å; L127-S130 PolarHBondContact O-N 3.47Å; S130-S132 VanDerWaalsContact C-N 3.33Å; S130-S132 PolarHBondContact O-N 3.21Å; S130-K133 PolarHBondContact O-N 2.9Å; S130-V134 WeakPolarHBondContact O-CG2 3.09Å; S130-V134 PolarHBondContact O-N 3.27Å |
| 131 | N | 90 | Very high | 90.7 | Very high | 91 Ų | 91 | 96.4 Ų | 96.4 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -39.9 | 177.4 | -75.4 | -17.6 | 0 | 0 | 0 | 112.3 | L127 L128 V134 H135 | L127-N131 WeakPolarHBondContact O-CB 3.33Å; L127-N131 PolarHBondContact O-N 2.98Å; L128-N131 PolarHBondContact O-N 3.48Å; N131-V134 PolarHBondContact O-N 3.45Å; N131-H135 WeakPolarHBondContact O-CB 3.32Å; N131-H135 PolarHBondContact O-N 3.44Å |
| 132 | S | 93 | Very high | 90.5 | Very high | 60 Ų | 60 | 99.5 Ų | 99.5 | 42% | 0.42 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | L128 I129 S130 H135 Q136 | L128-S132 WeakPolarHBondContact O-CB 3.43Å; L128-S132 PolarHBondContact O-N 3.24Å; I129-S132 PolarHBondContact O-N 2.94Å; S130-S132 VanDerWaalsContact C-N 3.33Å; S130-S132 PolarHBondContact O-N 3.21Å; S132-H135 PolarHBondContact O-N 3.49Å; S132-Q136 WeakPolarHBondContact O-CG 3.47Å; S132-Q136 PolarHBondContact O-N 3.02Å |
| 133 | K | 91.8 | Very high | 90.3 | Very high | 135 Ų | 135 | 102.2 Ų | 102.2 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | 175.7 | -72.3 | 175.2 | 179.9 | 179.1 | 0 | 112.1 | I129 S130 H135 Q136 W137 | I129-K133 HydrophobicContact CG2-CD 4.26Å; I129-K133 WeakPolarHBondContact O-CG 3.34Å; I129-K133 PolarHBondContact O-N 2.9Å; S130-K133 PolarHBondContact O-N 2.9Å; K133-H135 VanDerWaalsContact C-N 3.32Å; K133-H135 PolarHBondContact O-N 3.35Å; K133-Q136 PolarHBondContact O-N 2.95Å; K133-W137 WeakPolarHBondContact O-CB 3.14Å; K133-W137 PolarHBondContact O-N 3.47Å |
| 134 | V | 89.9 | Confident | 89.6 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 42% | 0.424 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 110.1 | S130 N131 W137 H138 | S130-V134 WeakPolarHBondContact O-CG2 3.09Å; S130-V134 PolarHBondContact O-N 3.27Å; N131-V134 PolarHBondContact O-N 3.45Å; V134-W137 PolarHBondContact O-N 2.92Å; V134-H138 VanDerWaalsContact CG1-CE1 3.45Å; V134-H138 WeakPolarHBondContact CG1-CE1 3.47Å; V134-H138 PolarHBondContact O-N 3.23Å; V134-H138 PolarHBondContact O-ND1 2.96Å |
| 135 | H | 90.6 | Very high | 88.8 | Confident | 121 Ų | 121 | 100.7 Ų | 100.7 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.5 | -45.8 | 177.1 | -173.8 | -89.7 | 0 | 0 | 0 | 112.2 | N131 S132 K133 W137 H138 L139 | N131-H135 WeakPolarHBondContact O-CB 3.32Å; N131-H135 PolarHBondContact O-N 3.44Å; S132-H135 PolarHBondContact O-N 3.49Å; K133-H135 VanDerWaalsContact C-N 3.32Å; K133-H135 PolarHBondContact O-N 3.35Å; H135-W137 VanDerWaalsContact C-N 3.32Å; H135-W137 PolarHBondContact O-N 2.83Å; H135-H138 PolarHBondContact O-N 2.79Å; H135-L139 WeakPolarHBondContact O-CG 3.39Å; H135-L139 PolarHBondContact O-N 3.42Å |
| 136 | Q | 91.7 | Very high | 87.6 | Confident | 125 Ų | 125 | 98 Ų | 98 | 58% | 0.584 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.8 | -41 | 175.2 | -74.6 | -179.3 | -4.9 | 0 | 0 | 112.2 | S132 K133 H138 L139 A140 | S132-Q136 WeakPolarHBondContact O-CG 3.47Å; S132-Q136 PolarHBondContact O-N 3.02Å; K133-Q136 PolarHBondContact O-N 2.95Å; Q136-H138 PolarHBondContact O-N 3.28Å; Q136-L139 PolarHBondContact O-N 2.96Å; Q136-A140 WeakPolarHBondContact O-CB 3.25Å; Q136-A140 PolarHBondContact O-N 2.96Å |
| 137 | W | 90 | Very high | 86 | Confident | 147 Ų | 147 | 100.4 Ų | 100.4 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 175.5 | 179 | 85.3 | 0 | 0 | 0 | 112.2 | K133 V134 H135 A140 K141 | K133-W137 WeakPolarHBondContact O-CB 3.14Å; K133-W137 PolarHBondContact O-N 3.47Å; V134-W137 PolarHBondContact O-N 2.92Å; H135-W137 VanDerWaalsContact C-N 3.32Å; H135-W137 PolarHBondContact O-N 2.83Å; W137-A140 PolarHBondContact O-N 3.28Å; W137-K141 HydrophobicContact CH2-CD 3.81Å; W137-K141 HydrophobicContact CZ2-CD 4.08Å; W137-K141 HydrophobicContact CZ3-CD 4.23Å; W137-K141 WeakPolarHBondContact O-CB 3.21Å; W137-K141 PolarHBondContact O-N 3.49Å |
| 138 | H | 90.2 | Very high | 84.5 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.2 | -75.1 | 90.7 | 0 | 0 | 0 | 112.2 | V134 H135 Q136 K141 K142 | V134-H138 VanDerWaalsContact CG1-CE1 3.45Å; V134-H138 WeakPolarHBondContact CG1-CE1 3.47Å; V134-H138 PolarHBondContact O-N 3.23Å; V134-H138 PolarHBondContact O-ND1 2.96Å; H135-H138 PolarHBondContact O-N 2.79Å; Q136-H138 PolarHBondContact O-N 3.28Å; H138-K141 PolarHBondContact O-N 3.45Å; H138-K142 PolarHBondContact O-N 3.45Å; H138-K142 VanDerWaalsContact O-N 3.09Å |
| 139 | L | 91.1 | Very high | 82.9 | Confident | 81 Ų | 81 | 101.1 Ų | 101.1 | 42% | 0.424 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.6 | -49.3 | 175.2 | -70.2 | 177.9 | 0 | 0 | 0 | 111.5 | H135 Q136 K141 K142 E143 | H135-L139 WeakPolarHBondContact O-CG 3.39Å; H135-L139 PolarHBondContact O-N 3.42Å; Q136-L139 PolarHBondContact O-N 2.96Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 3.19Å; L139-K142 WeakPolarHBondContact O-CB 3.18Å; L139-K142 PolarHBondContact O-N 3.06Å; L139-K142 VanDerWaalsContact O-N 3.08Å; L139-E143 PolarHBondContact O-N 3.47Å |
| 140 | A | 89.3 | Confident | 81 | Confident | 44 Ų | 44 | 101.8 Ų | 101.8 | 36% | 0.364 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -38.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q136 W137 K142 E143 M144 | Q136-A140 WeakPolarHBondContact O-CB 3.25Å; Q136-A140 PolarHBondContact O-N 2.96Å; W137-A140 PolarHBondContact O-N 3.28Å; A140-K142 VanDerWaalsContact C-N 3.33Å; A140-K142 PolarHBondContact O-N 2.67Å; A140-E143 PolarHBondContact O-N 2.94Å; A140-M144 WeakPolarHBondContact O-CG 3.49Å; A140-M144 PolarHBondContact O-N 3.15Å |
| 141 | K | 86.8 | Confident | 79.2 | Confident | 125 Ų | 125 | 104 Ų | 104 | 54% | 0.543 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -38.3 | 175.2 | -172.4 | 176.8 | 179.4 | -179.5 | 0 | 112 | W137 H138 L139 G145 | W137-K141 HydrophobicContact CH2-CD 3.81Å; W137-K141 HydrophobicContact CZ2-CD 4.08Å; W137-K141 HydrophobicContact CZ3-CD 4.23Å; W137-K141 WeakPolarHBondContact O-CB 3.21Å; W137-K141 PolarHBondContact O-N 3.49Å; H138-K141 PolarHBondContact O-N 3.45Å; L139-K141 VanDerWaalsContact C-N 3.31Å; L139-K141 PolarHBondContact O-N 3.19Å; K141-G145 PolarHBondContact O-N 2.72Å; K141-G145 VanDerWaalsContact O-N 3.09Å |
| 142 | K | 86.9 | Confident | 77.4 | Confident | 164 Ų | 164 | 107.9 Ų | 107.9 | 71% | 0.713 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.6 | -40.7 | 177.4 | -171.2 | 179.6 | 179.1 | -176.7 | 0 | 111.7 | H138 L139 A140 A146 | H138-K142 PolarHBondContact O-N 3.45Å; H138-K142 VanDerWaalsContact O-N 3.09Å; L139-K142 WeakPolarHBondContact O-CB 3.18Å; L139-K142 PolarHBondContact O-N 3.06Å; L139-K142 VanDerWaalsContact O-N 3.08Å; A140-K142 VanDerWaalsContact C-N 3.33Å; A140-K142 PolarHBondContact O-N 2.67Å; K142-A146 PolarHBondContact O-N 3.4Å; K142-A146 VanDerWaalsContact O-N 3.14Å |
| 143 | E | 85.5 | Confident | 75.3 | Confident | 122 Ų | 122 | 112.4 Ų | 112.4 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -64.4 | -47.6 | 175.9 | -70.9 | 173.5 | 176.5 | 0 | 0 | 111.3 | L139 A140 G145 A146 H147 | L139-E143 PolarHBondContact O-N 3.47Å; A140-E143 PolarHBondContact O-N 2.94Å; E143-G145 VanDerWaalsContact C-N 3.34Å; E143-G145 PolarHBondContact O-N 3.24Å; E143-A146 PolarHBondContact O-N 3.4Å; E143-A146 VanDerWaalsContact O-N 3.15Å; E143-H147 PolarHBondContact O-CD2 3.1Å; E143-H147 PolarHBondContact O-N 3.02Å; E143-H147 VanDerWaalsContact O-N 3.16Å |
| 144 | M | 76.8 | Confident | 73.5 | Confident | 133 Ų | 133 | 113.5 Ų | 113.5 | 66% | 0.655 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -60.9 | -40 | 177.1 | -72.5 | -164.3 | -69.6 | 0 | 0 | 113 | A140 A146 H147 T148 | A140-M144 WeakPolarHBondContact O-CG 3.49Å; A140-M144 PolarHBondContact O-N 3.15Å; M144-A146 VanDerWaalsContact C-N 3.31Å; M144-A146 PolarHBondContact O-N 2.97Å; M144-H147 PolarHBondContact O-N 3.08Å; M144-T148 PolarHBondContact O-N 3.16Å |
| 145 | G | 75.9 | Confident | 71.7 | Confident | 40 Ų | 40 | 119.1 Ų | 119.1 | 41% | 0.412 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.2 | -29.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K141 E143 T148 | K141-G145 PolarHBondContact O-N 2.72Å; K141-G145 VanDerWaalsContact O-N 3.09Å; E143-G145 VanDerWaalsContact C-N 3.34Å; E143-G145 PolarHBondContact O-N 3.24Å; G145-T148 PolarHBondContact O-OG1 2.88Å |
| 146 | A | 64.1 | Low | 69.7 | Low | 60 Ų | 60 | 121.2 Ų | 121.2 | 50% | 0.496 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -73.6 | -31.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K142 E143 M144 T149 | K142-A146 PolarHBondContact O-N 3.4Å; K142-A146 VanDerWaalsContact O-N 3.14Å; E143-A146 PolarHBondContact O-N 3.4Å; E143-A146 VanDerWaalsContact O-N 3.15Å; M144-A146 VanDerWaalsContact C-N 3.31Å; M144-A146 PolarHBondContact O-N 2.97Å; A146-T149 PolarHBondContact O-OG1 2.9Å |
| 147 | H | 58.3 | Low | 68 | Low | 144 Ų | 144 | 124.7 Ų | 124.7 | 67% | 0.667 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.6 | -28.7 | 178.1 | -71.1 | -60.7 | 0 | 0 | 0 | 113.3 | E143 M144 T149 | E143-H147 PolarHBondContact O-CD2 3.1Å; E143-H147 PolarHBondContact O-N 3.02Å; E143-H147 VanDerWaalsContact O-N 3.16Å; M144-H147 PolarHBondContact O-N 3.08Å; H147-T149 PolarHBondContact O-N 3.26Å |
| 148 | T | 58.7 | Low | 66.9 | Low | 105 Ų | 105 | 123.6 Ų | 123.6 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -72 | -27 | -179.5 | 48.4 | 0 | 0 | 0 | 0 | 113.9 | M144 G145 | M144-T148 PolarHBondContact O-N 3.16Å; G145-T148 PolarHBondContact O-OG1 2.88Å |
| 149 | T | 57.4 | Low | 65.6 | Low | 107 Ų | 107 | 124.6 Ų | 124.6 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -7.4 | -179.3 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | A146 H147 | A146-T149 PolarHBondContact O-OG1 2.9Å; H147-T149 PolarHBondContact O-N 3.26Å |
| 150 | S | 52.8 | Low | 64.2 | Low | 97 Ų | 97 | 127 Ų | 127 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -10.4 | -177.5 | -171.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 151 | S | 53.1 | Low | 62.7 | Low | 108 Ų | 108 | 131.9 Ų | 131.9 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -97.5 | 3.2 | -171.6 | -116.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 152 | E | 52.1 | Low | 61.2 | Low | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -97.2 | 9 | -174.4 | -96.3 | -178.7 | 165.1 | 0 | 0 | 115.7 | ||
| 153 | N | 49.3 | Very low | 59.5 | Low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -114.6 | 40.7 | -177.3 | -77.6 | -13.2 | 0 | 0 | 0 | 114.4 | ||||
| 154 | I | 53.6 | Low | 57.7 | Low | 158 Ų | 158 | 130.8 Ų | 130.8 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -139 | 62 | 171.8 | -44.1 | 174 | 0 | 0 | 0 | 110.8 | ||||
| 155 | E | 52 | Low | 56.2 | Low | 188 Ų | 188 | 130.6 Ų | 130.6 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -149 | 76.6 | 153.1 | -72.7 | -164.8 | 164.1 | 0 | 0 | 108.2 | ||||
| 156 | D | 47.7 | Very low | 54.6 | Low | 164 Ų | 164 | 138.2 Ų | 138.2 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | trans | -154 | 84.5 | 163.9 | -104.3 | -19.2 | 0 | 0 | 0 | 108.5 | ||||
| 157 | S | 55.7 | Low | 53.7 | Low | 199 Ų | 199 | 145.3 Ų | 145.3 | 100% | 1.392 | 82% | 0.818 | S | S | * | * | trans | -171.6 | 0 | 157 | -77.1 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 157 of 157 residues in 36.6 ms
(Link to these results)