| 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 | 53.6 | Low | 78.7 | Confident | 235 Ų | 235 | 153.9 Ų | 153.9 | 100% | 1.158 | 74% | 0.735 | S | S | * | * | 0 | 133.7 | 0 | -62.3 | -173.3 | -169.8 | 0 | 0 | 108.7 | R3 | M1-R3 PolarHBondContact O-N 3.5Š| |||
| 2 | S | 60.3 | Low | 80 | Confident | 101 Ų | 101 | 143.4 Ų | 143.4 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | -54.5 | 124 | -176.8 | 61.5 | 0 | 0 | 0 | 0 | 110.9 | I4 | S2-I4 PolarHBondContact O-N 3.33Š| ||
| 3 | R | 64.1 | Low | 80.8 | Confident | 260 Ų | 260 | 144.6 Ų | 144.6 | 98% | 0.981 | 68% | 0.679 | S | S | * | * | trans | -65.1 | 7.3 | 176.1 | -71.4 | -177 | 177.4 | 177.8 | -0.4 | 114.1 | M1 K5 | M1-R3 PolarHBondContact O-N 3.5Å; R3-K5 PolarHBondContact O-N 3.1Å | ||
| 4 | I | 75.9 | Confident | 81.6 | Confident | 130 Ų | 130 | 140.4 Ų | 140.4 | 67% | 0.667 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -82.7 | 115.9 | 180 | -58.5 | 175.2 | 0 | 0 | 0 | 108.1 | S2 A6 | S2-I4 PolarHBondContact O-N 3.33Å; I4-A6 PolarHBondContact O-N 3.15Å |
| 5 | K | 77.9 | Confident | 82.5 | Confident | 189 Ų | 189 | 138.7 Ų | 138.7 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | trans | -46.2 | 126.4 | 172.7 | -175.7 | 174.3 | -177 | 174.4 | 0 | 109.8 | R3 K7 | R3-K5 PolarHBondContact O-N 3.1Å; K5-K7 PolarHBondContact O-N 3.22Å | ||
| 6 | A | 81.9 | Confident | 83.2 | Confident | 82 Ų | 82 | 137.6 Ų | 137.6 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | -58.6 | 106.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I4 | I4-A6 PolarHBondContact O-N 3.15Š| ||
| 7 | K | 88.7 | Confident | 83.8 | Confident | 142 Ų | 142 | 131.8 Ų | 131.8 | 62% | 0.617 | 66% | 0.661 | S | S | * | * | trans | -74.5 | 150.2 | 173.8 | -64.9 | -175.1 | 178.1 | -178.3 | 0 | 109.5 | K5 T9 R10 | K5-K7 PolarHBondContact O-N 3.22Å; K7-T9 PolarHBondContact O-N 3.19Å; K7-R10 WeakPolarHBondContact O-CB 3.5Å; K7-R10 PolarHBondContact O-N 3.29Å | ||
| 8 | K | 91.8 | Very high | 84.5 | Confident | 158 Ų | 158 | 128.3 Ų | 128.3 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -48.8 | -36.2 | 171.1 | -174.1 | -178.9 | 179.3 | -178.5 | 0 | 111.6 | R10 K11 L12 | K8-R10 PolarHBondContact O-N 2.91Å; K8-K11 PolarHBondContact O-N 3.28Å; K8-L12 HydrophobicContact CD-CD1 4.24Å; K8-L12 HydrophobicContact CG-CD1 3.84Å; K8-L12 HydrophobicContact CG-CG 4.34Å; K8-L12 WeakPolarHBondContact O-CG 3.29Å; K8-L12 PolarHBondContact O-N 3.32Å |
| 9 | T | 92.4 | Very high | 85 | Confident | 72 Ų | 72 | 124.5 Ų | 124.5 | 44% | 0.442 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -49.1 | -39.1 | 172.9 | -44.3 | 0 | 0 | 0 | 0 | 113.6 | K7 L12 R13 H18 | K7-T9 PolarHBondContact O-N 3.19Å; T9-L12 PolarHBondContact O-N 3.19Å; T9-R13 PolarHBondContact O-N 3.47Å; T9-H18 WeakPolarHBondContact CG2-NE2 2.94Å |
| 10 | R | 88.9 | Confident | 85.5 | Confident | 150 Ų | 150 | 123.4 Ų | 123.4 | 57% | 0.566 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.7 | -38.6 | -179.5 | -63.5 | -59 | -62.5 | -134 | -1.4 | 111.7 | K7 K8 L12 | K7-R10 WeakPolarHBondContact O-CB 3.5Å; K7-R10 PolarHBondContact O-N 3.29Å; K8-R10 PolarHBondContact O-N 2.91Å; R10-L12 PolarHBondContact O-N 2.76Å |
| 11 | K | 90.8 | Very high | 85.9 | Confident | 174 Ų | 174 | 119.5 Ų | 119.5 | 76% | 0.757 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.7 | -23.8 | 174.7 | -65.4 | -171.6 | 176.5 | -172.8 | 0 | 112.6 | K8 | K8-K11 PolarHBondContact O-N 3.28Å |
| 12 | L | 94.1 | Very high | 87.8 | Confident | 28 Ų | 28 | 117.5 Ų | 117.5 | 15% | 0.147 | 60% | 0.601 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -94.5 | 0.9 | -176.8 | -66.4 | 174.2 | 0 | 0 | 0 | 114.4 | K8 T9 R10 G14 H15 H18 | K8-L12 HydrophobicContact CD-CD1 4.24Å; K8-L12 HydrophobicContact CG-CD1 3.84Å; K8-L12 HydrophobicContact CG-CG 4.34Å; K8-L12 WeakPolarHBondContact O-CG 3.29Å; K8-L12 PolarHBondContact O-N 3.32Å; T9-L12 PolarHBondContact O-N 3.19Å; R10-L12 PolarHBondContact O-N 2.76Å; L12-G14 PolarHBondContact O-N 3.32Å; L12-H15 WeakPolarHBondContact O-CB 3.38Å; L12-H15 PolarHBondContact O-N 3.31Å; L12-H15 VanDerWaalsContact O-N 3.08Å; L12-H18 WeakPolarHBondContact CD1-O 3.29Å; L12-H18 PolarHBondContact O-CE1 3.39Å; L12-H18 PolarHBondContact O-ND1 3.44Å |
| 13 | R | 89.8 | Confident | 89.5 | Confident | 159 Ų | 159 | 119.7 Ų | 119.7 | 60% | 0.6 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 126.3 | 171.6 | -69.9 | -171.3 | 173.4 | -170.5 | -5.2 | 109.2 | T9 | T9-R13 PolarHBondContact O-N 3.47Š|
| 14 | G | 92.8 | Very high | 90.9 | Very high | 85 Ų | 85 | 109.9 Ų | 109.9 | 88% | 0.876 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.4 | -18.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L12 | L12-G14 PolarHBondContact O-N 3.32Š|
| 15 | H | 94.6 | Very high | 91.8 | Very high | 115 Ų | 115 | 110.2 Ų | 110.2 | 53% | 0.532 | 59% | 0.585 | S | S | . | * | trans | -82.6 | 127.9 | 174.2 | -67 | -96 | 0 | 0 | 0 | 111.6 | L12 S17 H18 | L12-H15 WeakPolarHBondContact O-CB 3.38Å; L12-H15 PolarHBondContact O-N 3.31Å; L12-H15 VanDerWaalsContact O-N 3.08Å; H15-S17 VanDerWaalsContact C-N 3.34Å; H15-S17 PolarHBondContact O-N 3.29Å; H15-H18 PolarHBondContact O-N 2.87Å | ||
| 16 | V | 93.1 | Very high | 92.7 | Very high | 122 Ų | 122 | 107.7 Ų | 107.7 | 74% | 0.739 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | -44.3 | -175.3 | -178 | 0 | 0 | 0 | 0 | 114.1 | ||
| 17 | S | 94.7 | Very high | 93.4 | Very high | 38 Ų | 38 | 111.5 Ų | 111.5 | 27% | 0.266 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | 14.6 | -174.4 | -48.3 | 0 | 0 | 0 | 0 | 114 | H15 G19 H20 G21 | H15-S17 VanDerWaalsContact C-N 3.34Å; H15-S17 PolarHBondContact O-N 3.29Å; S17-G19 PolarHBondContact O-N 2.9Å; S17-H20 PolarHBondContact O-N 3.49Å; S17-G21 WeakPolarHBondContact CB-O 3.18Å |
| 18 | H | 95.3 | Very high | 93.8 | Very high | 70 Ų | 70 | 113.4 Ų | 113.4 | 32% | 0.324 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 49 | 34.8 | 177.2 | -120.1 | 72.7 | 0 | 0 | 0 | 115 | T9 L12 H15 H20 | T9-H18 WeakPolarHBondContact CG2-NE2 2.94Å; L12-H18 WeakPolarHBondContact CD1-O 3.29Å; L12-H18 PolarHBondContact O-CE1 3.39Å; L12-H18 PolarHBondContact O-ND1 3.44Å; H15-H18 PolarHBondContact O-N 2.87Å; H18-H20 PolarHBondContact O-CD2 3Å |
| 19 | G | 93.9 | Very high | 94 | Very high | 55 Ų | 55 | 111.2 Ų | 111.2 | 57% | 0.567 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.6 | 9.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S17 | S17-G19 PolarHBondContact O-N 2.9Š|
| 20 | H | 95.7 | Very high | 94.1 | Very high | 103 Ų | 103 | 113.7 Ų | 113.7 | 48% | 0.477 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -103.6 | 14.8 | -178.9 | -64.2 | -80.2 | 0 | 0 | 0 | 115 | S17 H18 H26 | S17-H20 PolarHBondContact O-N 3.49Å; H18-H20 PolarHBondContact O-CD2 3Å; H20-H26 HydrophobicContact CB-CB 3.69Å; H20-H26 AromaticContact ND1-CD2 3.77Å; H20-H26 AromaticContact ND1-CG 3.92Å |
| 21 | G | 93.9 | Very high | 94.4 | Very high | 42 Ų | 42 | 107.9 Ų | 107.9 | 43% | 0.433 | 58% | 0.578 | S | S | . | * | trans | 78.1 | 145.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S17 | S17-G21 WeakPolarHBondContact CB-O 3.18Š| ||
| 22 | R | 94.1 | Very high | 94.6 | Very high | 193 Ų | 193 | 101.5 Ų | 101.5 | 73% | 0.728 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -38.9 | -177.8 | -67.3 | -177.9 | -179.6 | -177.8 | 0.2 | 113 | ||
| 23 | V | 95.9 | Very high | 94.7 | Very high | 146 Ų | 146 | 108.9 Ų | 108.9 | 89% | 0.885 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -60.5 | -174.1 | -178.1 | 0 | 0 | 0 | 0 | 111.6 | K25 | V23-K25 PolarHBondContact O-N 3.36Š|
| 24 | G | 94 | Very high | 95 | Very high | 54 Ų | 54 | 104.9 Ų | 104.9 | 56% | 0.557 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -30.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R27 | G24-R27 PolarHBondContact O-NH1 2.94Š|
| 25 | K | 94.6 | Very high | 95.1 | Very high | 137 Ų | 137 | 106.1 Ų | 106.1 | 60% | 0.596 | 58% | 0.582 | S | S | * | * | trans | 55.4 | 149.8 | -171.8 | -61.1 | -179 | 179.8 | 177.1 | 0 | 113.7 | V23 R27 | V23-K25 PolarHBondContact O-N 3.36Å; K25-R27 PolarHBondContact O-N 3.36Å | ||
| 26 | H | 96.8 | Very high | 95.2 | Very high | 136 Ų | 136 | 102.8 Ų | 102.8 | 63% | 0.63 | 57% | 0.574 | S | S | * | * | trans | -73.7 | 124.4 | 173.3 | -173.4 | -127.1 | 0 | 0 | 0 | 110.7 | H20 | H20-H26 HydrophobicContact CB-CB 3.69Å; H20-H26 AromaticContact ND1-CD2 3.77Å; H20-H26 AromaticContact ND1-CG 3.92Å | ||
| 27 | R | 95.8 | Very high | 95.3 | Very high | 162 Ų | 162 | 97.8 Ų | 97.8 | 61% | 0.611 | 55% | 0.548 | S | S | * | . | trans | -130.8 | 152 | 174.8 | -67.4 | -174.8 | 169.4 | 95.1 | -9.3 | 110.2 | G24 K25 H29 | G24-R27 PolarHBondContact O-NH1 2.94Å; K25-R27 PolarHBondContact O-N 3.36Å; R27-H29 PolarHBondContact O-N 3.37Å | ||
| 28 | K | 96.6 | Very high | 95.3 | Very high | 183 Ų | 183 | 97.3 Ų | 97.3 | 80% | 0.796 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -70.4 | 121.3 | 179.5 | 60.3 | -174.2 | -178.3 | -178.5 | 0 | 111.1 | ||
| 29 | H | 95.4 | Very high | 95.3 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 51% | 0.514 | 55% | 0.552 | S | S | . | * | trans | 51.6 | 54.8 | 169.7 | -52.4 | -65.5 | 0 | 0 | 0 | 117.2 | R27 G31 G32 R33 | R27-H29 PolarHBondContact O-N 3.37Å; H29-G31 VanDerWaalsContact C-N 3.26Å; H29-G31 PolarHBondContact O-N 3.09Å; H29-G32 PolarHBondContact O-N 2.86Å; H29-R33 HydrophobicContact CB-CG 4.1Å | ||
| 30 | P | 95.8 | Very high | 95.4 | Very high | 124 Ų | 124 | 103.5 Ų | 103.5 | 81% | 0.805 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -27.4 | -177.1 | 27.2 | -35.4 | 0 | 0 | 0 | 114 | ||
| 31 | G | 94.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 104.5 Ų | 104.5 | 30% | 0.299 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.5 | 12.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | H29 H41 H42 | H29-G31 VanDerWaalsContact C-N 3.26Å; H29-G31 PolarHBondContact O-N 3.09Å; G31-H41 PolarHBondContact O-NE2 2.98Å; G31-H42 PolarHBondContact O-NE2 3.28Å |
| 32 | G | 96.1 | Very high | 95.6 | Very high | 39 Ų | 39 | 105.6 Ų | 105.6 | 40% | 0.402 | 55% | 0.554 | S | S | . | * | trans | 94.7 | 176.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H29 | H29-G32 PolarHBondContact O-N 2.86Š| ||
| 33 | R | 96.9 | Very high | 95.7 | Very high | 183 Ų | 183 | 103.1 Ų | 103.1 | 69% | 0.691 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -103 | 138.5 | 179.5 | -66.4 | -174.2 | -178.3 | -149.6 | 4.5 | 110.5 | H29 N35 A36 | H29-R33 HydrophobicContact CB-CG 4.1Å; R33-N35 PolarHBondContact O-N 3.49Å; R33-A36 WeakPolarHBondContact O-CB 3.27Å; R33-A36 PolarHBondContact O-N 2.94Å |
| 34 | G | 95.8 | Very high | 95.7 | Very high | 76 Ų | 76 | 102.8 Ų | 102.8 | 78% | 0.784 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -130.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | A36 | G34-A36 VanDerWaalsContact C-N 3.3Å; G34-A36 PolarHBondContact O-N 3.29Å |
| 35 | N | 94.8 | Very high | 95.9 | Very high | 110 Ų | 110 | 104 Ų | 104 | 59% | 0.588 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 32.2 | -179.5 | -69.6 | -3.6 | 0 | 0 | 0 | 112.6 | R33 L38 Y53 | R33-N35 PolarHBondContact O-N 3.49Å; N35-L38 HydrophobicContact CB-CD1 4.09Å; N35-L38 HydrophobicContact CB-CD2 3.84Å; N35-L38 HydrophobicContact CB-CG 4.18Å; N35-L38 VanDerWaalsContact O-CG 3.23Å; N35-L38 WeakPolarHBondContact O-CG 3.39Å; N35-Y53 PolarHBondContact ND2-OH 3.43Å |
| 36 | A | 96.2 | Very high | 95.9 | Very high | 45 Ų | 45 | 98.2 Ų | 98.2 | 37% | 0.372 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 135.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R33 G34 H42 | R33-A36 WeakPolarHBondContact O-CB 3.27Å; R33-A36 PolarHBondContact O-N 2.94Å; G34-A36 VanDerWaalsContact C-N 3.3Å; G34-A36 PolarHBondContact O-N 3.29Å; A36-H42 PolarHBondContact O-CD2 3.3Å |
| 37 | G | 95.2 | Very high | 95.8 | Very high | 17 Ų | 17 | 96.7 Ų | 96.7 | 18% | 0.175 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | 16.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E39 H40 H41 H42 | G37-E39 VanDerWaalsContact C-N 3.27Å; G37-E39 PolarHBondContact O-N 3.06Å; G37-H40 CarbonylContact O-C 3.48Å; G37-H40 PolarHBondContact O-N 2.95Å; G37-H41 VanDerWaalsContact CA-CE1 3.48Å; G37-H41 WeakPolarHBondContact CA-CE1 3.31Å; G37-H41 PolarHBondContact O-N 2.69Å; G37-H42 WeakPolarHBondContact O-CA 3.46Å; G37-H42 WeakPolarHBondContact O-CB 3.4Å; G37-H42 PolarHBondContact O-N 2.88Å |
| 38 | L | 94.3 | Very high | 95.9 | Very high | 29 Ų | 29 | 95.7 Ų | 95.7 | 15% | 0.152 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -38.9 | -178 | -58.9 | 178.3 | 0 | 0 | 0 | 113.9 | N35 R43 M46 Y53 I54 | N35-L38 HydrophobicContact CB-CD1 4.09Å; N35-L38 HydrophobicContact CB-CD2 3.84Å; N35-L38 HydrophobicContact CB-CG 4.18Å; N35-L38 VanDerWaalsContact O-CG 3.23Å; N35-L38 WeakPolarHBondContact O-CG 3.39Å; L38-R43 WeakPolarHBondContact O-CA 3.41Å; L38-R43 PolarHBondContact O-N 2.98Å; L38-M46 HydrophobicContact CB-CG 3.88Å; L38-M46 HydrophobicContact CD1-CE 4.19Å; L38-M46 HydrophobicContact CD2-CE 3.9Å; L38-M46 HydrophobicContact CD2-CG 3.5Å; L38-M46 HydrophobicContact CD2-SD 3.44Å; L38-M46 WeakPolarHBondContact CD2-SD 3.38Å; L38-M46 HydrophobicContact CG-CE 4.45Å; L38-M46 HydrophobicContact CG-CG 4.19Å; L38-M46 HydrophobicContact CG-SD 4.47Å; L38-Y53 HydrophobicContact CD1-CD1 3.91Å; L38-Y53 HydrophobicContact CD1-CE1 3.41Å; L38-Y53 VanDerWaalsContact CD1-CE1 3.41Å; L38-I54 HydrophobicContact CB-CD1 4.16Å |
| 39 | E | 95.1 | Very high | 95.9 | Very high | 116 Ų | 116 | 93.7 Ų | 93.7 | 54% | 0.542 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -7.1 | 178.9 | -64.8 | 178.2 | 159.1 | 0 | 0 | 113.4 | G37 I54 | G37-E39 VanDerWaalsContact C-N 3.27Å; G37-E39 PolarHBondContact O-N 3.06Å; E39-I54 HydrophobicContact CG-CD1 3.2Å; E39-I54 WeakPolarHBondContact OE1-CD1 3.38Å; E39-I54 VanDerWaalsContact OE1-CG2 3.23Å; E39-I54 WeakPolarHBondContact OE1-CG2 3.29Å |
| 40 | H | 96.3 | Very high | 96 | Very high | 139 Ų | 139 | 93 Ų | 93 | 64% | 0.644 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.2 | -110.5 | -170.3 | -57.9 | 77.6 | 0 | 0 | 0 | 108.9 | G37 H42 R43 | G37-H40 CarbonylContact O-C 3.48Å; G37-H40 PolarHBondContact O-N 2.95Å; H40-H42 VanDerWaalsContact C-N 3.28Å; H40-H42 PolarHBondContact O-N 3.21Å; H40-R43 WeakPolarHBondContact O-CB 3.38Å; H40-R43 PolarHBondContact O-N 3.2Å |
| 41 | H | 96.9 | Very high | 96 | Very high | 123 Ų | 123 | 92.2 Ų | 92.2 | 57% | 0.569 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.3 | -175.1 | 57.1 | -80.7 | 0 | 0 | 0 | 115 | G31 G37 | G31-H41 PolarHBondContact O-NE2 2.98Å; G37-H41 VanDerWaalsContact CA-CE1 3.48Å; G37-H41 WeakPolarHBondContact CA-CE1 3.31Å; G37-H41 PolarHBondContact O-N 2.69Å |
| 42 | H | 96.5 | Very high | 96 | Very high | 65 Ų | 65 | 94.6 Ų | 94.6 | 30% | 0.301 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 10.2 | 169.8 | -64 | -66.7 | 0 | 0 | 0 | 113.6 | G31 A36 G37 H40 I44 N45 M46 | G31-H42 PolarHBondContact O-NE2 3.28Å; A36-H42 PolarHBondContact O-CD2 3.3Å; G37-H42 WeakPolarHBondContact O-CA 3.46Å; G37-H42 WeakPolarHBondContact O-CB 3.4Å; G37-H42 PolarHBondContact O-N 2.88Å; H40-H42 VanDerWaalsContact C-N 3.28Å; H40-H42 PolarHBondContact O-N 3.21Å; H42-I44 VanDerWaalsContact C-N 3.34Å; H42-I44 PolarHBondContact O-N 2.86Å; H42-N45 WeakPolarHBondContact O-CB 3.36Å; H42-N45 PolarHBondContact O-N 3.19Å; H42-M46 PolarHBondContact O-N 3.39Å; H42-M46 VanDerWaalsContact O-N 3.11Å |
| 43 | R | 96.5 | Very high | 96 | Very high | 141 Ų | 141 | 99 Ų | 99 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -51.6 | -48.6 | -178.9 | -175.9 | -179.7 | 69.1 | -165.4 | 0.9 | 113.5 | L38 H40 N45 M46 D47 | L38-R43 WeakPolarHBondContact O-CA 3.41Å; L38-R43 PolarHBondContact O-N 2.98Å; H40-R43 WeakPolarHBondContact O-CB 3.38Å; H40-R43 PolarHBondContact O-N 3.2Å; R43-N45 PolarHBondContact O-N 3.07Å; R43-M46 PolarHBondContact O-N 2.97Å; R43-M46 VanDerWaalsContact O-N 3.1Å; R43-D47 WeakPolarHBondContact CG-OD2 3.49Å; R43-D47 WeakPolarHBondContact O-CB 3.24Å; R43-D47 PolarHBondContact O-N 3.29Å |
| 44 | I | 96.9 | Very high | 95.8 | Very high | 139 Ų | 139 | 94.2 Ų | 94.2 | 71% | 0.713 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.3 | -37.4 | -179.4 | -62.8 | 170.9 | 0 | 0 | 0 | 111.6 | H42 K48 | H42-I44 VanDerWaalsContact C-N 3.34Å; H42-I44 PolarHBondContact O-N 2.86Å; I44-K48 WeakPolarHBondContact O-CB 3.38Å; I44-K48 PolarHBondContact O-N 2.98Å |
| 45 | N | 96.4 | Very high | 95.7 | Very high | 79 Ų | 79 | 93.9 Ų | 93.9 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.8 | -47 | 178.3 | -172.8 | -11.6 | 0 | 0 | 0 | 110.4 | H42 R43 K48 Y49 | H42-N45 WeakPolarHBondContact O-CB 3.36Å; H42-N45 PolarHBondContact O-N 3.19Å; R43-N45 PolarHBondContact O-N 3.07Å; N45-K48 PolarHBondContact O-N 2.64Å; N45-Y49 WeakPolarHBondContact O-CD2 3.48Å; N45-Y49 PolarHBondContact O-N 3.11Å; N45-Y49 VanDerWaalsContact OD1-CD2 3.26Å; N45-Y49 WeakPolarHBondContact OD1-CD2 3.39Å |
| 46 | M | 95.4 | Very high | 95.8 | Very high | 17 Ų | 17 | 97 Ų | 97 | 8% | 0.084 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -66 | -47.4 | -179.1 | -69.7 | -56.3 | -65.4 | 0 | 0 | 112.9 | L38 H42 R43 K48 H50 Y53 | L38-M46 HydrophobicContact CB-CG 3.88Å; L38-M46 HydrophobicContact CD1-CE 4.19Å; L38-M46 HydrophobicContact CD2-CE 3.9Å; L38-M46 HydrophobicContact CD2-CG 3.5Å; L38-M46 HydrophobicContact CD2-SD 3.44Å; L38-M46 WeakPolarHBondContact CD2-SD 3.38Å; L38-M46 HydrophobicContact CG-CE 4.45Å; L38-M46 HydrophobicContact CG-CG 4.19Å; L38-M46 HydrophobicContact CG-SD 4.47Å; H42-M46 PolarHBondContact O-N 3.39Å; H42-M46 VanDerWaalsContact O-N 3.11Å; R43-M46 PolarHBondContact O-N 2.97Å; R43-M46 VanDerWaalsContact O-N 3.1Å; M46-K48 PolarHBondContact O-N 2.78Å; M46-H50 HydrophobicContact CE-CB 3.63Å; M46-H50 CarbonylContact O-C 3.08Å; M46-H50 WeakPolarHBondContact O-CA 3.37Å; M46-H50 WeakPolarHBondContact O-CB 3.42Å; M46-H50 PolarHBondContact O-N 3.23Å; M46-H50 HydrophobicContact SD-CB 4.15Å; M46-H50 VanDerWaalsContact SD-CD2 3.58Å; M46-Y53 HydrophobicContact CE-CD1 3.47Å; M46-Y53 VanDerWaalsContact CE-CD1 3.47Å; M46-Y53 HydrophobicContact CE-CD2 4.01Å; M46-Y53 HydrophobicContact CE-CE1 4.1Å; M46-Y53 HydrophobicContact CE-CG 3.44Å; M46-Y53 VanDerWaalsContact CE-CG 3.44Å |
| 47 | D | 95.2 | Very high | 95.8 | Very high | 104 Ų | 104 | 101.8 Ų | 101.8 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.6 | -34.4 | 179.7 | -66.4 | -10.8 | 0 | 0 | 0 | 111.4 | R43 | R43-D47 WeakPolarHBondContact CG-OD2 3.49Å; R43-D47 WeakPolarHBondContact O-CB 3.24Å; R43-D47 PolarHBondContact O-N 3.29Å |
| 48 | K | 97.1 | Very high | 95.8 | Very high | 141 Ų | 141 | 104.1 Ų | 104.1 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -77.2 | -46.3 | -178.2 | -176.1 | 173.8 | -179.7 | -176.8 | 0 | 113.4 | I44 N45 M46 | I44-K48 WeakPolarHBondContact O-CB 3.38Å; I44-K48 PolarHBondContact O-N 2.98Å; N45-K48 PolarHBondContact O-N 2.64Å; M46-K48 PolarHBondContact O-N 2.78Å |
| 49 | Y | 97.7 | Very high | 96 | Very high | 141 Ų | 141 | 112.1 Ų | 112.1 | 55% | 0.553 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -108.6 | -16.7 | -169.8 | -59.2 | -69.7 | 0 | 0 | 0 | 113.7 | N45 P51 | N45-Y49 WeakPolarHBondContact O-CD2 3.48Å; N45-Y49 PolarHBondContact O-N 3.11Å; N45-Y49 VanDerWaalsContact OD1-CD2 3.26Å; N45-Y49 WeakPolarHBondContact OD1-CD2 3.39Å; Y49-P51 VanDerWaalsContact C-CD 3.41Å |
| 50 | H | 96.8 | Very high | 96.1 | Very high | 97 Ų | 97 | 114.8 Ų | 114.8 | 45% | 0.449 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -132.1 | 53 | -177.1 | -56.4 | -62 | 0 | 0 | 0 | 112.3 | M46 G52 Y53 | M46-H50 HydrophobicContact CE-CB 3.63Å; M46-H50 CarbonylContact O-C 3.08Å; M46-H50 WeakPolarHBondContact O-CA 3.37Å; M46-H50 WeakPolarHBondContact O-CB 3.42Å; M46-H50 PolarHBondContact O-N 3.23Å; M46-H50 HydrophobicContact SD-CB 4.15Å; M46-H50 VanDerWaalsContact SD-CD2 3.58Å; H50-G52 PolarHBondContact O-N 3.42Å; H50-Y53 VanDerWaalsContact O-CB 3.29Å; H50-Y53 WeakPolarHBondContact O-CB 3.49Å; H50-Y53 PolarHBondContact O-N 3.05Å |
| 51 | P | 95.7 | Very high | 96.1 | Very high | 107 Ų | 107 | 113.2 Ų | 113.2 | 70% | 0.695 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | 136.3 | 177.7 | 28 | -35.4 | 0 | 0 | 0 | 110.6 | Y49 Y53 | Y49-P51 VanDerWaalsContact C-CD 3.41Å; P51-Y53 VanDerWaalsContact C-N 3.34Å |
| 52 | G | 94.5 | Very high | 96.1 | Very high | 79 Ų | 79 | 115 Ų | 115 | 81% | 0.814 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.1 | 7.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | H50 I54 | H50-G52 PolarHBondContact O-N 3.42Å; G52-I54 VanDerWaalsContact C-N 3.34Å |
| 53 | Y | 95.7 | Very high | 96.1 | Very high | 132 Ų | 132 | 119.1 Ų | 119.1 | 52% | 0.518 | 61% | 0.612 | S | S | . | * | trans | -64.7 | -38.7 | 175.5 | -175 | -89.6 | 0 | 0 | 0 | 112.5 | N35 L38 M46 H50 P51 | N35-Y53 PolarHBondContact ND2-OH 3.43Å; L38-Y53 HydrophobicContact CD1-CD1 3.91Å; L38-Y53 HydrophobicContact CD1-CE1 3.41Å; L38-Y53 VanDerWaalsContact CD1-CE1 3.41Å; M46-Y53 HydrophobicContact CE-CD1 3.47Å; M46-Y53 VanDerWaalsContact CE-CD1 3.47Å; M46-Y53 HydrophobicContact CE-CD2 4.01Å; M46-Y53 HydrophobicContact CE-CE1 4.1Å; M46-Y53 HydrophobicContact CE-CG 3.44Å; M46-Y53 VanDerWaalsContact CE-CG 3.44Å; H50-Y53 VanDerWaalsContact O-CB 3.29Å; H50-Y53 WeakPolarHBondContact O-CB 3.49Å; H50-Y53 PolarHBondContact O-N 3.05Å; P51-Y53 VanDerWaalsContact C-N 3.34Å | ||
| 54 | I | 93.6 | Very high | 96.1 | Very high | 82 Ų | 82 | 116.6 Ų | 116.6 | 42% | 0.421 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -97.9 | 124.5 | -179 | -54.6 | -174.8 | 0 | 0 | 0 | 109.2 | L38 E39 G52 | L38-I54 HydrophobicContact CB-CD1 4.16Å; E39-I54 HydrophobicContact CG-CD1 3.2Å; E39-I54 WeakPolarHBondContact OE1-CD1 3.38Å; E39-I54 VanDerWaalsContact OE1-CG2 3.23Å; E39-I54 WeakPolarHBondContact OE1-CG2 3.29Å; G52-I54 VanDerWaalsContact C-N 3.34Å |
| 55 | G | 93.5 | Very high | 96.2 | Very high | 69 Ų | 69 | 116 Ų | 116 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | S | Bend | trans | 144 | 179.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 56 | K | 96.4 | Very high | 96.2 | Very high | 174 Ų | 174 | 121.4 Ų | 121.4 | 76% | 0.757 | 62% | 0.615 | S | S | * | * | trans | -131.3 | 124.4 | 175.2 | -176.9 | -179.1 | 177.9 | -175.3 | 0 | 108.7 | ||||
| 57 | V | 95.9 | Very high | 96.3 | Very high | 147 Ų | 147 | 127.5 Ų | 127.5 | 89% | 0.891 | 65% | 0.648 | S | S | * | * | trans | -131.8 | 141.6 | -175.6 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 58 | G | 96.3 | Very high | 96.3 | Very high | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 65% | 0.653 | S | S | * | * | S | Bend | trans | 80.7 | 177 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 59 | M | 97.6 | Very high | 96.2 | Very high | 197 Ų | 197 | 127.9 Ų | 127.9 | 97% | 0.97 | 65% | 0.652 | S | S | * | * | trans | -87 | 145.1 | 176.7 | -64.2 | 178.4 | -179.8 | 0 | 0 | 111 | ||||
| 60 | R | 96.8 | Very high | 96.1 | Very high | 171 Ų | 171 | 127.7 Ų | 127.7 | 65% | 0.645 | 65% | 0.651 | S | S | * | * | trans | -79.5 | 130.1 | 176.1 | -68.6 | -176.3 | -71 | -178.2 | 0.3 | 110.4 | Y62 | R60-Y62 HydrophobicContact CB-CE1 4.05Å; R60-Y62 PolarHBondContact NE-OH 3.14Å; R60-Y62 PolarHBondContact NH1-OH 3.06Å; R60-Y62 PolarHBondContact NH2-OH 3.14Å | ||
| 61 | H | 96.7 | Very high | 96.1 | Very high | 106 Ų | 106 | 125.5 Ų | 125.5 | 49% | 0.491 | 65% | 0.646 | S | S | . | * | trans | -106.6 | 102.3 | 171.4 | -175.2 | -178 | 0 | 0 | 0 | 109.5 | L64 Y69 | H61-L64 VanDerWaalsContact CE1-CD1 3.42Å; H61-L64 WeakPolarHBondContact CE1-CD1 3.36Å; H61-L64 WeakPolarHBondContact ND1-CD1 3.48Å; H61-Y69 AromaticContact CE1-CE2 3.76Å; H61-Y69 AromaticContact CE1-CZ 3.84Å; H61-Y69 PolarHBondContact CE1-OH 3.29Å; H61-Y69 VanDerWaalsContact CE1-OH 3.22Å | ||
| 62 | Y | 97.1 | Very high | 96.2 | Very high | 161 Ų | 161 | 121.6 Ų | 121.6 | 63% | 0.631 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 143.3 | 177 | -54.3 | -59.1 | 0 | 0 | 0 | 111 | R60 L64 | R60-Y62 HydrophobicContact CB-CE1 4.05Å; R60-Y62 PolarHBondContact NE-OH 3.14Å; R60-Y62 PolarHBondContact NH1-OH 3.06Å; R60-Y62 PolarHBondContact NH2-OH 3.14Å; Y62-L64 PolarHBondContact O-N 3.33Å |
| 63 | H | 97.1 | Very high | 96.4 | Very high | 151 Ų | 151 | 121.1 Ų | 121.1 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.6 | 54.9 | -178.4 | -164.8 | 163.6 | 0 | 0 | 0 | 112.8 | K65 | H63-K65 WeakPolarHBondContact NE2-CE 3.33Å; H63-K65 PolarHBondContact O-N 3.46Å |
| 64 | L | 96.5 | Very high | 96.4 | Very high | 88 Ų | 88 | 115.1 Ų | 115.1 | 46% | 0.461 | 58% | 0.58 | S | S | . | * | trans | -60.3 | 103 | 174.9 | 174.6 | 64.6 | 0 | 0 | 0 | 110.9 | H61 Y62 R66 Y69 | H61-L64 VanDerWaalsContact CE1-CD1 3.42Å; H61-L64 WeakPolarHBondContact CE1-CD1 3.36Å; H61-L64 WeakPolarHBondContact ND1-CD1 3.48Å; Y62-L64 PolarHBondContact O-N 3.33Å; L64-R66 HydrophobicContact CD2-CG 4.36Å; L64-R66 HydrophobicContact CG-CG 4.26Å; L64-Y69 HydrophobicContact CD1-CD2 4.07Å; L64-Y69 HydrophobicContact CD1-CE2 3.85Å | ||
| 65 | K | 97.5 | Very high | 96.6 | Very high | 126 Ų | 126 | 113.3 Ų | 113.3 | 55% | 0.548 | 57% | 0.571 | S | S | . | * | trans | -84.1 | 112.8 | 167.4 | -64.6 | 179.6 | -177.8 | 179 | 0 | 107.8 | H63 P68 Y69 | H63-K65 WeakPolarHBondContact NE2-CE 3.33Å; H63-K65 PolarHBondContact O-N 3.46Å; K65-P68 HydrophobicContact CB-CG 4.36Å; K65-P68 WeakPolarHBondContact O-CD 3.33Å; K65-Y69 WeakPolarHBondContact O-CD2 3.21Å; K65-Y69 WeakPolarHBondContact O-CE2 3Å | ||
| 66 | R | 96.7 | Very high | 96.7 | Very high | 193 Ų | 193 | 110 Ų | 110 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -74.6 | -24.7 | -178.1 | -68.9 | -175.9 | 176.8 | -173.7 | -1.8 | 113.7 | L64 Y69 Y70 | L64-R66 HydrophobicContact CD2-CG 4.36Å; L64-R66 HydrophobicContact CG-CG 4.26Å; R66-Y69 PolarHBondContact O-N 3.35Å; R66-Y69 VanDerWaalsContact O-N 3.11Å; R66-Y70 PolarHBondContact O-N 3.07Å |
| 67 | N | 97.1 | Very high | 96.5 | Very high | 145 Ų | 145 | 105.2 Ų | 105.2 | 78% | 0.775 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -61.4 | -43 | -174.2 | -60.6 | -4.2 | 0 | 0 | 0 | 113.9 | Y69 Y70 | N67-Y69 VanDerWaalsContact C-N 3.25Å; N67-Y69 PolarHBondContact O-N 3.33Å; N67-Y70 VanDerWaalsContact O-CB 3.22Å; N67-Y70 WeakPolarHBondContact O-CB 3.18Å; N67-Y70 PolarHBondContact O-N 2.89Å; N67-Y70 VanDerWaalsContact O-N 3.15Å |
| 68 | P | 95.5 | Very high | 96.4 | Very high | 103 Ų | 103 | 104.3 Ų | 104.3 | 67% | 0.669 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -62.8 | -27.4 | 174.1 | -24.8 | 35.5 | 0 | 0 | 0 | 114.6 | K65 Y70 | K65-P68 HydrophobicContact CB-CG 4.36Å; K65-P68 WeakPolarHBondContact O-CD 3.33Å; P68-Y70 VanDerWaalsContact C-N 3.33Å |
| 69 | Y | 95.8 | Very high | 96.3 | Very high | 151 Ų | 151 | 101.1 Ų | 101.1 | 59% | 0.592 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -88.7 | -2.1 | 177.9 | -59.3 | -77.6 | 0 | 0 | 0 | 113.1 | H61 L64 K65 R66 N67 C71 | H61-Y69 AromaticContact CE1-CE2 3.76Å; H61-Y69 AromaticContact CE1-CZ 3.84Å; H61-Y69 PolarHBondContact CE1-OH 3.29Å; H61-Y69 VanDerWaalsContact CE1-OH 3.22Å; L64-Y69 HydrophobicContact CD1-CD2 4.07Å; L64-Y69 HydrophobicContact CD1-CE2 3.85Å; K65-Y69 WeakPolarHBondContact O-CD2 3.21Å; K65-Y69 WeakPolarHBondContact O-CE2 3Å; R66-Y69 PolarHBondContact O-N 3.35Å; R66-Y69 VanDerWaalsContact O-N 3.11Å; N67-Y69 VanDerWaalsContact C-N 3.25Å; N67-Y69 PolarHBondContact O-N 3.33Å; Y69-C71 PolarHBondContact O-N 2.87Å; Y69-C71 VanDerWaalsContact O-N 3.11Å |
| 70 | Y | 96 | Very high | 96.1 | Very high | 136 Ų | 136 | 93.2 Ų | 93.2 | 53% | 0.533 | 43% | 0.43 | S | S | . | . | trans | -66.5 | 112.7 | -179.2 | -174.1 | -107.2 | 0 | 0 | 0 | 109.9 | R66 N67 P68 P72 F110 | R66-Y70 PolarHBondContact O-N 3.07Å; N67-Y70 VanDerWaalsContact O-CB 3.22Å; N67-Y70 WeakPolarHBondContact O-CB 3.18Å; N67-Y70 PolarHBondContact O-N 2.89Å; N67-Y70 VanDerWaalsContact O-N 3.15Å; P68-Y70 VanDerWaalsContact C-N 3.33Å; Y70-P72 HydrophobicContact CD1-CG 4.27Å; Y70-P72 VanDerWaalsContact CE1-CD 3.42Å; Y70-P72 HydrophobicContact CE1-CG 3.58Å; Y70-F110 HydrophobicContact CD1-CD2 4.35Å; Y70-F110 AromaticContact CD1-CE2 3.66Å; Y70-F110 HydrophobicContact CD1-CE2 3.66Å; Y70-F110 AromaticContact CD1-CZ 3.82Å; Y70-F110 HydrophobicContact CD1-CZ 3.82Å; Y70-F110 HydrophobicContact CE1-CE1 4.46Å; Y70-F110 HydrophobicContact CE1-CE2 4.26Å; Y70-F110 HydrophobicContact CE1-CZ 4.02Å; Y70-F110 WeakPolarHBondContact O-CD2 3.22Å; Y70-F110 WeakPolarHBondContact O-CE2 3.26Å | ||
| 71 | C | 96.5 | Very high | 95.9 | Very high | 51 Ų | 51 | 89.2 Ų | 89.2 | 35% | 0.345 | 43% | 0.428 | S | S | . | . | trans | -145.4 | 71.2 | -177 | -167.7 | 0 | 0 | 0 | 0 | 110.7 | Y69 T73 | Y69-C71 PolarHBondContact O-N 2.87Å; Y69-C71 VanDerWaalsContact O-N 3.11Å; C71-T73 WeakPolarHBondContact O-CG2 3.37Å; C71-T73 PolarHBondContact O-N 2.78Å | ||
| 72 | P | 97.5 | Very high | 95.7 | Very high | 26 Ų | 26 | 85.3 Ų | 85.3 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | trans | -60.2 | 136.4 | 173.8 | 24.9 | -33.8 | 0 | 0 | 0 | 110.2 | Y70 G108 Y109 F110 K111 | Y70-P72 HydrophobicContact CD1-CG 4.27Å; Y70-P72 VanDerWaalsContact CE1-CD 3.42Å; Y70-P72 HydrophobicContact CE1-CG 3.58Å; P72-G108 VanDerWaalsContact CB-O 3.28Å; P72-G108 WeakPolarHBondContact CB-O 3.42Å; P72-G108 WeakPolarHBondContact CG-O 3.33Å; P72-Y109 HydrophobicContact CB-CD1 4.36Å; P72-F110 HydrophobicContact CG-CB 4.46Å; P72-F110 HydrophobicContact CG-CD1 4.1Å; P72-F110 HydrophobicContact CG-CG 4.15Å; P72-F110 PolarHBondContact O-N 3.24Å; P72-K111 PolarHBondContact O-N 3.19Å | ||
| 73 | T | 97.8 | Very high | 95.5 | Very high | 68 Ų | 68 | 79.2 Ų | 79.2 | 42% | 0.417 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 147.6 | -173.2 | 65.1 | 0 | 0 | 0 | 0 | 112.3 | C71 Y109 K111 L113 | C71-T73 WeakPolarHBondContact O-CG2 3.37Å; C71-T73 PolarHBondContact O-N 2.78Å; T73-Y109 WeakPolarHBondContact O-CD1 3.19Å; T73-K111 CarbonylContact C-O 3.17Å; T73-K111 VanDerWaalsContact CA-O 3.24Å; T73-K111 WeakPolarHBondContact CA-O 3.38Å; T73-K111 HydrophobicContact CG2-CB 3.95Å; T73-K111 HydrophobicContact CG2-CG 4.45Å; T73-L113 HydrophobicContact CG2-CD1 4.19Å |
| 74 | I | 97.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 75.2 Ų | 75.2 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 146.6 | 170.9 | -169.6 | 170.2 | 0 | 0 | 0 | 109.7 | K78 L82 Y109 K111 V112 L113 | I74-K78 HydrophobicContact CD1-CB 4.21Å; I74-K78 HydrophobicContact CG1-CB 4.08Å; I74-L82 HydrophobicContact CD1-CD1 3.66Å; I74-L82 HydrophobicContact CD1-CD2 3.91Å; I74-L82 HydrophobicContact CD1-CG 3.8Å; I74-Y109 HydrophobicContact CB-CD1 3.79Å; I74-Y109 HydrophobicContact CB-CD2 4.26Å; I74-Y109 HydrophobicContact CB-CE1 4.19Å; I74-Y109 HydrophobicContact CB-CG 3.82Å; I74-Y109 HydrophobicContact CD1-CD2 4.1Å; I74-Y109 HydrophobicContact CD1-CE2 4.04Å; I74-Y109 HydrophobicContact CG2-CD1 4.45Å; I74-Y109 HydrophobicContact CG2-CG 4.06Å; I74-K111 PolarHBondContact N-O 3.39Å; I74-V112 HydrophobicContact CG2-CG2 3.97Å; I74-V112 CarbonylContact O-C 3.55Å; I74-V112 WeakPolarHBondContact O-CA 3.39Å; I74-L113 PolarHBondContact O-N 3.23Å |
| 75 | N | 97.3 | Very high | 94.9 | Very high | 44 Ų | 44 | 77.9 Ų | 77.9 | 24% | 0.235 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 156.6 | 176.1 | -72.2 | -69.2 | 0 | 0 | 0 | 110.9 | D77 K78 I79 L113 K115 | N75-D77 VanDerWaalsContact C-N 3.27Å; N75-D77 WeakPolarHBondContact CB-OD1 3.36Å; N75-D77 PolarHBondContact O-N 3.05Å; N75-K78 PolarHBondContact O-N 2.83Å; N75-I79 PolarHBondContact O-N 3.09Å; N75-L113 WeakPolarHBondContact CA-O 3.29Å; N75-L113 WeakPolarHBondContact OD1-CB 3.31Å; N75-K115 HydrophobicContact CB-CB 4.02Å; N75-K115 WeakPolarHBondContact OD1-CB 3.1Å |
| 76 | L | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -57.3 | -37.1 | -178.9 | -64.2 | -176.8 | 0 | 0 | 0 | 113.7 | K78 I79 V112 L113 K115 L118 A134 K137 I138 | L76-K78 PolarHBondContact O-N 2.59Å; L76-K78 VanDerWaalsContact O-N 3.14Å; L76-I79 HydrophobicContact CB-CD1 4.46Å; L76-I79 HydrophobicContact CD2-CD1 3.4Å; L76-I79 HydrophobicContact CG-CD1 4.47Å; L76-I79 PolarHBondContact O-N 2.93Å; L76-I79 VanDerWaalsContact O-N 3.14Å; L76-V112 HydrophobicContact CD2-CG1 3.72Å; L76-L113 WeakPolarHBondContact CG-O 3.38Å; L76-L113 PolarHBondContact N-O 3.17Å; L76-K115 PolarHBondContact N-O 3.4Å; L76-L118 HydrophobicContact CB-CD2 4.15Å; L76-L118 HydrophobicContact CB-CG 4.03Å; L76-L118 HydrophobicContact CD1-CD1 4.04Å; L76-L118 HydrophobicContact CD1-CG 4.2Å; L76-L118 HydrophobicContact CD2-CD1 4.13Å; L76-L118 HydrophobicContact CD2-CG 4.5Å; L76-L118 HydrophobicContact CG-CD1 4.47Å; L76-L118 HydrophobicContact CG-CG 4.47Å; L76-A134 HydrophobicContact CD2-CB 4.14Å; L76-A134 HydrophobicContact CG-CB 4.47Å; L76-K137 HydrophobicContact CD1-CB 3.46Å; L76-K137 VanDerWaalsContact CD1-CB 3.46Å; L76-K137 HydrophobicContact CD1-CD 3.46Å; L76-K137 VanDerWaalsContact CD1-CD 3.46Å; L76-K137 HydrophobicContact CD1-CG 4.11Å; L76-I138 HydrophobicContact CD2-CD1 3.79Å; L76-I138 HydrophobicContact CD2-CG1 3.85Å |
| 77 | D | 92.9 | Very high | 94.3 | Very high | 72 Ų | 72 | 68.1 Ų | 68.1 | 39% | 0.385 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -54.8 | -29 | 175.9 | 52.5 | 1.9 | 0 | 0 | 0 | 113.7 | N75 K115 | N75-D77 VanDerWaalsContact C-N 3.27Å; N75-D77 WeakPolarHBondContact CB-OD1 3.36Å; N75-D77 PolarHBondContact O-N 3.05Å; D77-K115 PolarHBondContact N-O 2.99Å |
| 78 | K | 94.3 | Very high | 93.9 | Very high | 128 Ų | 128 | 64.1 Ų | 64.1 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -102 | -0.7 | -177.8 | -65.9 | -172.5 | -178.9 | -169.9 | 0 | 113.9 | I74 N75 L76 W80 S81 | I74-K78 HydrophobicContact CD1-CB 4.21Å; I74-K78 HydrophobicContact CG1-CB 4.08Å; N75-K78 PolarHBondContact O-N 2.83Å; L76-K78 PolarHBondContact O-N 2.59Å; L76-K78 VanDerWaalsContact O-N 3.14Å; K78-W80 VanDerWaalsContact C-N 3.31Å; K78-W80 PolarHBondContact O-N 2.81Å; K78-S81 WeakPolarHBondContact O-CB 3.27Å; K78-S81 PolarHBondContact O-N 2.89Å; K78-S81 PolarHBondContact O-OG 3.02Å |
| 79 | I | 93.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -59.1 | -43.6 | -177.3 | -76.6 | -178.1 | 0 | 0 | 0 | 111.6 | N75 L76 S81 L82 I102 V112 L118 V125 | N75-I79 PolarHBondContact O-N 3.09Å; L76-I79 HydrophobicContact CB-CD1 4.46Å; L76-I79 HydrophobicContact CD2-CD1 3.4Å; L76-I79 HydrophobicContact CG-CD1 4.47Å; L76-I79 PolarHBondContact O-N 2.93Å; L76-I79 VanDerWaalsContact O-N 3.14Å; I79-S81 PolarHBondContact O-N 2.89Å; I79-L82 WeakPolarHBondContact O-CB 3.39Å; I79-L82 PolarHBondContact O-N 2.88Å; I79-L82 VanDerWaalsContact O-N 3.09Å; I79-I102 HydrophobicContact CG2-CB 4.45Å; I79-I102 HydrophobicContact CG2-CD1 3.51Å; I79-I102 HydrophobicContact CG2-CG2 4.22Å; I79-V112 HydrophobicContact CD1-CG1 3.82Å; I79-L118 HydrophobicContact CB-CD2 4.47Å; I79-V125 HydrophobicContact CD1-CG1 4.31Å; I79-V125 HydrophobicContact CD1-CG2 4.08Å; I79-V125 HydrophobicContact CG2-CG2 4.39Å |
| 80 | W | 92.7 | Very high | 93.3 | Very high | 31 Ų | 31 | 63.2 Ų | 63.2 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -70 | -13.7 | 179.6 | -71 | 102.1 | 0 | 0 | 0 | 114.2 | K78 L82 V83 Y88 P100 I102 P119 V121 V123 | K78-W80 VanDerWaalsContact C-N 3.31Å; K78-W80 PolarHBondContact O-N 2.81Å; W80-L82 PolarHBondContact O-N 2.96Å; W80-V83 HydrophobicContact CE3-CG2 3.72Å; W80-V83 HydrophobicContact CZ3-CG2 4.32Å; W80-V83 WeakPolarHBondContact O-CG2 3.39Å; W80-Y88 AromaticContact CD2-CD2 3.68Å; W80-Y88 HydrophobicContact CD2-CD2 3.68Å; W80-Y88 AromaticContact CD2-CE2 3.99Å; W80-Y88 HydrophobicContact CD2-CE2 3.99Å; W80-Y88 AromaticContact CE3-CD2 3.34Å; W80-Y88 HydrophobicContact CE3-CD2 3.34Å; W80-Y88 HydrophobicContact CE3-CE2 4.1Å; W80-Y88 HydrophobicContact CE3-CG 4.21Å; W80-Y88 HydrophobicContact CG-CD2 4.29Å; W80-Y88 HydrophobicContact CG-CE2 4.39Å; W80-Y88 HydrophobicContact CH2-CD2 4.13Å; W80-Y88 HydrophobicContact CZ2-CD2 4.46Å; W80-Y88 HydrophobicContact CZ2-CE2 4.47Å; W80-Y88 AromaticContact CZ3-CD2 3.59Å; W80-Y88 HydrophobicContact CZ3-CD2 3.59Å; W80-Y88 HydrophobicContact CZ3-CE2 4.37Å; W80-P100 HydrophobicContact CH2-CG 3.49Å; W80-P100 VanDerWaalsContact CH2-CG 3.49Å; W80-P100 HydrophobicContact CZ3-CG 3.71Å; W80-I102 HydrophobicContact CD2-CD1 4.45Å; W80-I102 HydrophobicContact CE3-CD1 4.21Å; W80-I102 HydrophobicContact CZ3-CD1 4.49Å; W80-P119 VanDerWaalsContact CD1-CD 3.43Å; W80-P119 HydrophobicContact CD2-CG 4.5Å; W80-P119 HydrophobicContact CG-CG 4.33Å; W80-P119 HydrophobicContact CZ2-CG 4.37Å; W80-P119 VanDerWaalsContact NE1-CD 3.28Å; W80-V121 HydrophobicContact CH2-CB 4.26Å; W80-V121 HydrophobicContact CH2-CG1 3.73Å; W80-V121 HydrophobicContact CZ2-CB 3.88Å; W80-V121 HydrophobicContact CZ2-CG1 3.86Å; W80-V123 HydrophobicContact CH2-CB 4.5Å; W80-V123 HydrophobicContact CZ2-CB 3.99Å; W80-V123 HydrophobicContact CZ2-CG2 4.29Å |
| 81 | S | 92.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 61% | 0.608 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -74.6 | -12.1 | 171.5 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | K78 I79 V83 | K78-S81 WeakPolarHBondContact O-CB 3.27Å; K78-S81 PolarHBondContact O-N 2.89Å; K78-S81 PolarHBondContact O-OG 3.02Å; I79-S81 PolarHBondContact O-N 2.89Å; S81-V83 VanDerWaalsContact C-N 3.29Å |
| 82 | L | 93.2 | Very high | 92.4 | Very high | 24 Ų | 24 | 64.9 Ų | 64.9 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -79.7 | -13.9 | 177.4 | -62.3 | -175.2 | 0 | 0 | 0 | 113.4 | I74 I79 W80 I102 K107 Y109 | I74-L82 HydrophobicContact CD1-CD1 3.66Å; I74-L82 HydrophobicContact CD1-CD2 3.91Å; I74-L82 HydrophobicContact CD1-CG 3.8Å; I79-L82 WeakPolarHBondContact O-CB 3.39Å; I79-L82 PolarHBondContact O-N 2.88Å; I79-L82 VanDerWaalsContact O-N 3.09Å; W80-L82 PolarHBondContact O-N 2.96Å; L82-I102 HydrophobicContact CB-CG2 3.92Å; L82-I102 HydrophobicContact CD1-CG2 3.77Å; L82-I102 HydrophobicContact CG-CG2 4.43Å; L82-K107 HydrophobicContact CB-CG 4.35Å; L82-K107 HydrophobicContact CD1-CB 4.27Å; L82-K107 HydrophobicContact CD1-CG 4.29Å; L82-K107 HydrophobicContact CD2-CB 4.02Å; L82-K107 HydrophobicContact CD2-CG 4.18Å; L82-K107 WeakPolarHBondContact O-CE 3.37Å; L82-Y109 HydrophobicContact CD1-CD2 4.45Å; L82-Y109 HydrophobicContact CD2-CD2 4.24Å; L82-Y109 HydrophobicContact CD2-CE2 3.79Å |
| 83 | V | 91.7 | Very high | 91.8 | Very high | 32 Ų | 32 | 69.5 Ų | 69.5 | 19% | 0.194 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -111.6 | 157.9 | 177.4 | -63.1 | 0 | 0 | 0 | 0 | 110 | W80 S81 T87 I102 | W80-V83 HydrophobicContact CE3-CG2 3.72Å; W80-V83 HydrophobicContact CZ3-CG2 4.32Å; W80-V83 WeakPolarHBondContact O-CG2 3.39Å; S81-V83 VanDerWaalsContact C-N 3.29Å; V83-T87 HydrophobicContact CB-CG2 4.33Å; V83-I102 HydrophobicContact CG1-CD1 3.95Å; V83-I102 HydrophobicContact CG1-CG1 3.8Å; V83-I102 HydrophobicContact CG2-CD1 4.47Å |
| 84 | S | 92.1 | Very high | 90.9 | Very high | 68 Ų | 68 | 68.2 Ų | 68.2 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | trans | -68.9 | 151.8 | 174.6 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | A86 T87 Y88 | S84-A86 PolarHBondContact O-N 3.15Å; S84-T87 WeakPolarHBondContact O-CA 3.38Å; S84-T87 WeakPolarHBondContact O-CB 3.25Å; S84-T87 PolarHBondContact O-N 3.45Å; S84-T87 PolarHBondContact OG-N 2.84Å; S84-T87 PolarHBondContact OG-OG1 2.97Å; S84-Y88 PolarHBondContact O-N 2.91Å; S84-Y88 VanDerWaalsContact O-N 3.11Å | ||
| 85 | Q | 90.5 | Very high | 90 | Very high | 143 Ų | 143 | 74.4 Ų | 74.4 | 67% | 0.668 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.5 | -39.3 | 177.2 | -175.8 | 176.8 | -20.9 | 0 | 0 | 112.1 | T87 Y88 E89 | Q85-T87 VanDerWaalsContact C-N 3.25Å; Q85-T87 PolarHBondContact O-N 3Å; Q85-Y88 WeakPolarHBondContact O-CB 3.08Å; Q85-Y88 PolarHBondContact O-N 3.22Å; Q85-E89 WeakPolarHBondContact CG-OE1 3.24Å; Q85-E89 PolarHBondContact NE2-OE1 3.18Å; Q85-E89 PolarHBondContact O-N 3.36Å |
| 86 | A | 90.4 | Very high | 89.2 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 57% | 0.57 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -59.8 | -34.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S84 K90 | S84-A86 PolarHBondContact O-N 3.15Å; A86-K90 WeakPolarHBondContact O-CB 3.25Å; A86-K90 PolarHBondContact O-N 2.85Å; A86-K90 VanDerWaalsContact O-N 3.09Å |
| 87 | T | 89.6 | Confident | 88.6 | Confident | 46 Ų | 46 | 81.3 Ų | 81.3 | 28% | 0.282 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.2 | -42.8 | 174.5 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | V83 S84 Q85 K90 Y91 | V83-T87 HydrophobicContact CB-CG2 4.33Å; S84-T87 WeakPolarHBondContact O-CA 3.38Å; S84-T87 WeakPolarHBondContact O-CB 3.25Å; S84-T87 PolarHBondContact O-N 3.45Å; S84-T87 PolarHBondContact OG-N 2.84Å; S84-T87 PolarHBondContact OG-OG1 2.97Å; Q85-T87 VanDerWaalsContact C-N 3.25Å; Q85-T87 PolarHBondContact O-N 3Å; T87-K90 PolarHBondContact O-N 3.32Å; T87-Y91 HydrophobicContact CG2-CD2 3.79Å; T87-Y91 HydrophobicContact CG2-CE2 3.74Å; T87-Y91 VanDerWaalsContact O-CD2 3.24Å; T87-Y91 WeakPolarHBondContact O-CD2 3.5Å; T87-Y91 PolarHBondContact O-N 3.15Å |
| 88 | Y | 89.5 | Confident | 88.3 | Confident | 60 Ų | 60 | 84.9 Ų | 84.9 | 24% | 0.235 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 177 | 174.5 | -113.9 | 0 | 0 | 0 | 112 | W80 S84 Q85 K90 Y91 R92 P119 V121 | W80-Y88 AromaticContact CD2-CD2 3.68Å; W80-Y88 HydrophobicContact CD2-CD2 3.68Å; W80-Y88 AromaticContact CD2-CE2 3.99Å; W80-Y88 HydrophobicContact CD2-CE2 3.99Å; W80-Y88 AromaticContact CE3-CD2 3.34Å; W80-Y88 HydrophobicContact CE3-CD2 3.34Å; W80-Y88 HydrophobicContact CE3-CE2 4.1Å; W80-Y88 HydrophobicContact CE3-CG 4.21Å; W80-Y88 HydrophobicContact CG-CD2 4.29Å; W80-Y88 HydrophobicContact CG-CE2 4.39Å; W80-Y88 HydrophobicContact CH2-CD2 4.13Å; W80-Y88 HydrophobicContact CZ2-CD2 4.46Å; W80-Y88 HydrophobicContact CZ2-CE2 4.47Å; W80-Y88 AromaticContact CZ3-CD2 3.59Å; W80-Y88 HydrophobicContact CZ3-CD2 3.59Å; W80-Y88 HydrophobicContact CZ3-CE2 4.37Å; S84-Y88 PolarHBondContact O-N 2.91Å; S84-Y88 VanDerWaalsContact O-N 3.11Å; Q85-Y88 WeakPolarHBondContact O-CB 3.08Å; Q85-Y88 PolarHBondContact O-N 3.22Å; Y88-K90 PolarHBondContact O-N 3.11Å; Y88-Y91 PolarHBondContact O-N 3.2Å; Y88-R92 VanDerWaalsContact O-CB 3.29Å; Y88-R92 WeakPolarHBondContact O-CB 3.47Å; Y88-R92 PolarHBondContact O-N 2.99Å; Y88-P119 HydrophobicContact CE2-CB 4.49Å; Y88-P119 HydrophobicContact CE2-CG 3.99Å; Y88-V121 HydrophobicContact CE2-CG2 4.49Å |
| 89 | E | 89.3 | Confident | 88 | Confident | 88 Ų | 88 | 80 Ų | 80 | 41% | 0.411 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 178.6 | -70.8 | 166.3 | -175.5 | 0 | 0 | 111.4 | Q85 Y91 R92 D93 | Q85-E89 WeakPolarHBondContact CG-OE1 3.24Å; Q85-E89 PolarHBondContact NE2-OE1 3.18Å; Q85-E89 PolarHBondContact O-N 3.36Å; E89-Y91 VanDerWaalsContact C-N 3.34Å; E89-Y91 PolarHBondContact O-N 2.96Å; E89-R92 WeakPolarHBondContact O-CB 3.28Å; E89-R92 PolarHBondContact O-N 3.17Å; E89-D93 PolarHBondContact O-N 3.48Å |
| 90 | K | 89.1 | Confident | 88 | Confident | 148 Ų | 148 | 80.2 Ų | 80.2 | 64% | 0.643 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -55.1 | -44.6 | 176.5 | -177.5 | -179.1 | 180 | 177.7 | 0 | 113.4 | A86 T87 Y88 S94 | A86-K90 WeakPolarHBondContact O-CB 3.25Å; A86-K90 PolarHBondContact O-N 2.85Å; A86-K90 VanDerWaalsContact O-N 3.09Å; T87-K90 PolarHBondContact O-N 3.32Å; Y88-K90 PolarHBondContact O-N 3.11Å; K90-S94 VanDerWaalsContact O-CB 3.29Å; K90-S94 WeakPolarHBondContact O-CB 3.34Å; K90-S94 PolarHBondContact O-N 3.31Å |
| 91 | Y | 88 | Confident | 88.1 | Confident | 65 Ų | 65 | 82.5 Ų | 82.5 | 26% | 0.255 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -84.5 | -19.6 | -178.6 | -76 | -75.3 | 0 | 0 | 0 | 113.5 | T87 Y88 E89 D93 K98 P100 | T87-Y91 HydrophobicContact CG2-CD2 3.79Å; T87-Y91 HydrophobicContact CG2-CE2 3.74Å; T87-Y91 VanDerWaalsContact O-CD2 3.24Å; T87-Y91 WeakPolarHBondContact O-CD2 3.5Å; T87-Y91 PolarHBondContact O-N 3.15Å; Y88-Y91 PolarHBondContact O-N 3.2Å; E89-Y91 VanDerWaalsContact C-N 3.34Å; E89-Y91 PolarHBondContact O-N 2.96Å; Y91-D93 VanDerWaalsContact C-N 3.35Å; Y91-K98 WeakPolarHBondContact CD1-O 3.44Å; Y91-K98 HydrophobicContact CE1-CB 4.32Å; Y91-P100 HydrophobicContact CD1-CB 4.48Å; Y91-P100 HydrophobicContact CD1-CG 4.35Å; Y91-P100 HydrophobicContact CD2-CB 3.67Å; Y91-P100 HydrophobicContact CD2-CG 3.88Å; Y91-P100 HydrophobicContact CE1-CB 4.46Å; Y91-P100 HydrophobicContact CE2-CB 3.68Å; Y91-P100 HydrophobicContact CE2-CG 4.37Å; Y91-P100 HydrophobicContact CG-CB 4.1Å; Y91-P100 HydrophobicContact CG-CG 3.88Å |
| 92 | R | 86.3 | Confident | 88.1 | Confident | 156 Ų | 156 | 78.5 Ų | 78.5 | 59% | 0.589 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -67.1 | -39.4 | 173.4 | -177.8 | -177.4 | 178.8 | -174.3 | -2.3 | 111.4 | Y88 E89 V121 | Y88-R92 VanDerWaalsContact O-CB 3.29Å; Y88-R92 WeakPolarHBondContact O-CB 3.47Å; Y88-R92 PolarHBondContact O-N 2.99Å; E89-R92 WeakPolarHBondContact O-CB 3.28Å; E89-R92 PolarHBondContact O-N 3.17Å; R92-V121 HydrophobicContact CB-CG2 4.44Å; R92-V121 HydrophobicContact CG-CG2 4.35Å |
| 93 | D | 83.5 | Confident | 88.3 | Confident | 124 Ų | 124 | 79.1 Ų | 79.1 | 66% | 0.663 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -99.7 | -6 | -174.8 | -57.3 | -27.3 | 0 | 0 | 0 | 113.2 | E89 Y91 T95 | E89-D93 PolarHBondContact O-N 3.48Å; Y91-D93 VanDerWaalsContact C-N 3.35Å; D93-T95 PolarHBondContact O-N 2.82Å |
| 94 | S | 80.5 | Confident | 88.5 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | trans | -72.9 | 128.2 | -179.8 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | K90 D96 | K90-S94 VanDerWaalsContact O-CB 3.29Å; K90-S94 WeakPolarHBondContact O-CB 3.34Å; K90-S94 PolarHBondContact O-N 3.31Å; S94-D96 PolarHBondContact OG-N 3.42Å | ||
| 95 | T | 78.8 | Confident | 88.6 | Confident | 136 Ų | 136 | 76.3 Ų | 76.3 | 83% | 0.834 | 41% | 0.411 | S | S | * | . | trans | -92.7 | 1.2 | 173 | 48.9 | 0 | 0 | 0 | 0 | 113.4 | D93 G97 | D93-T95 PolarHBondContact O-N 2.82Å; T95-G97 PolarHBondContact O-N 3.11Å; T95-G97 VanDerWaalsContact O-N 3.1Å | ||
| 96 | D | 79.1 | Confident | 88.8 | Confident | 111 Ų | 111 | 79.6 Ų | 79.6 | 59% | 0.594 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -76.7 | 2.3 | -169.3 | -59.7 | -19.9 | 0 | 0 | 0 | 113.9 | S94 K98 | S94-D96 PolarHBondContact OG-N 3.42Å; D96-K98 HydrophobicContact CB-CD 4.36Å; D96-K98 HydrophobicContact CB-CG 4.3Å; D96-K98 PolarHBondContact O-N 3.22Å; D96-K98 VanDerWaalsContact O-N 3.15Å |
| 97 | G | 81.6 | Confident | 89 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 81% | 0.814 | 42% | 0.415 | S | S | * | . | trans | 67.6 | 8.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T95 | T95-G97 PolarHBondContact O-N 3.11Å; T95-G97 VanDerWaalsContact O-N 3.1Å | ||
| 98 | K | 86.7 | Confident | 89.2 | Confident | 147 Ų | 147 | 81.5 Ų | 81.5 | 64% | 0.639 | 42% | 0.418 | S | S | * | . | trans | -87.7 | 134.9 | -180 | -66.8 | 176.9 | -176.5 | 168.7 | 0 | 110.8 | Y91 D96 | Y91-K98 WeakPolarHBondContact CD1-O 3.44Å; Y91-K98 HydrophobicContact CE1-CB 4.32Å; D96-K98 HydrophobicContact CB-CD 4.36Å; D96-K98 HydrophobicContact CB-CG 4.3Å; D96-K98 PolarHBondContact O-N 3.22Å; D96-K98 VanDerWaalsContact O-N 3.15Å | ||
| 99 | A | 89.5 | Confident | 89.6 | Confident | 26 Ų | 26 | 82.5 Ų | 82.5 | 22% | 0.215 | 42% | 0.422 | C | S | . | . | trans | -107.4 | 143.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | P122 I124 | A99-P122 HydrophobicContact CB-CB 4.13Å; A99-I124 HydrophobicContact CB-CD1 4.16Å; A99-I124 HydrophobicContact CB-CG1 4.02Å | ||
| 100 | P | 93 | Very high | 89.9 | Confident | 4 Ų | 4 | 80 Ų | 80 | 3% | 0.026 | 41% | 0.41 | C | S | . | . | trans | -68.2 | 139.3 | 173 | 24.8 | -27.1 | 0 | 0 | 0 | 110.9 | W80 Y91 P122 I124 | W80-P100 HydrophobicContact CH2-CG 3.49Å; W80-P100 VanDerWaalsContact CH2-CG 3.49Å; W80-P100 HydrophobicContact CZ3-CG 3.71Å; Y91-P100 HydrophobicContact CD1-CB 4.48Å; Y91-P100 HydrophobicContact CD1-CG 4.35Å; Y91-P100 HydrophobicContact CD2-CB 3.67Å; Y91-P100 HydrophobicContact CD2-CG 3.88Å; Y91-P100 HydrophobicContact CE1-CB 4.46Å; Y91-P100 HydrophobicContact CE2-CB 3.68Å; Y91-P100 HydrophobicContact CE2-CG 4.37Å; Y91-P100 HydrophobicContact CG-CB 4.1Å; Y91-P100 HydrophobicContact CG-CG 3.88Å; P100-P122 WeakPolarHBondContact CD-O 3.22Å; P100-I124 PolarHBondContact O-N 3.31Å | ||
| 101 | V | 94.1 | Very high | 90.3 | Very high | 78 Ų | 78 | 76.5 Ų | 76.5 | 47% | 0.473 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 110.7 | 169.9 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | I124 K126 | V101-I124 CarbonylContact C-O 3.56Å; V101-I124 WeakPolarHBondContact CA-O 3.29Å; V101-I124 HydrophobicContact CG1-CG2 4.38Å; V101-I124 HydrophobicContact CG2-CB 4.14Å; V101-I124 HydrophobicContact CG2-CD1 4.22Å; V101-I124 HydrophobicContact CG2-CG2 4.19Å; V101-K126 HydrophobicContact CG1-CD 3.71Å; V101-K126 HydrophobicContact CG1-CG 4.06Å |
| 102 | I | 94.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 73.4 Ų | 73.4 | 2% | 0.015 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 109.1 | 175.6 | -57.2 | -175.9 | 0 | 0 | 0 | 108.5 | I79 W80 L82 V83 C104 V123 I124 K126 | I79-I102 HydrophobicContact CG2-CB 4.45Å; I79-I102 HydrophobicContact CG2-CD1 3.51Å; I79-I102 HydrophobicContact CG2-CG2 4.22Å; W80-I102 HydrophobicContact CD2-CD1 4.45Å; W80-I102 HydrophobicContact CE3-CD1 4.21Å; W80-I102 HydrophobicContact CZ3-CD1 4.49Å; L82-I102 HydrophobicContact CB-CG2 3.92Å; L82-I102 HydrophobicContact CD1-CG2 3.77Å; L82-I102 HydrophobicContact CG-CG2 4.43Å; V83-I102 HydrophobicContact CG1-CD1 3.95Å; V83-I102 HydrophobicContact CG1-CG1 3.8Å; V83-I102 HydrophobicContact CG2-CD1 4.47Å; I102-C104 PolarHBondContact O-N 3.22Å; I102-V123 HydrophobicContact CD1-CG2 3.63Å; I102-V123 HydrophobicContact CG1-CG2 3.95Å; I102-I124 PolarHBondContact N-O 3.18Å; I102-K126 PolarHBondContact O-N 3.26Å |
| 103 | D | 95.5 | Very high | 91.4 | Very high | 38 Ų | 38 | 68.2 Ų | 68.2 | 20% | 0.203 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 97.5 | 178.6 | -166.4 | -32 | 0 | 0 | 0 | 110.6 | L105 R106 K107 | D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 WeakPolarHBondContact OD1-CA 3.34Å; D103-L105 WeakPolarHBondContact OD1-CB 3.38Å; D103-L105 PolarHBondContact OD1-N 3.03Å; D103-R106 HydrophobicContact CB-CB 4.15Å; D103-R106 HydrophobicContact CB-CG 4.3Å; D103-R106 VanDerWaalsContact CG-CG 3.47Å; D103-R106 PolarHBondContact OD1-N 3.2Å; D103-R106 WeakPolarHBondContact OD2-CD 2.92Å; D103-R106 VanDerWaalsContact OD2-CG 3.25Å; D103-R106 WeakPolarHBondContact OD2-CG 3.28Å; D103-K107 VanDerWaalsContact O-CG 3.27Å; D103-K107 WeakPolarHBondContact O-CG 3.43Å; D103-K107 PolarHBondContact O-N 3.23Å |
| 104 | C | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -34 | 177.4 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | I102 K107 G108 Y109 V112 V125 K126 A127 | I102-C104 PolarHBondContact O-N 3.22Å; C104-K107 CarbonylContact O-C 3.46Å; C104-K107 PolarHBondContact O-N 3.11Å; C104-K107 VanDerWaalsContact O-N 3.15Å; C104-G108 PolarHBondContact O-N 3.42Å; C104-G108 VanDerWaalsContact O-N 3.17Å; C104-Y109 CarbonylContact C-O 3.56Å; C104-Y109 PolarHBondContact O-N 2.9Å; C104-Y109 VanDerWaalsContact O-O 3.09Å; C104-V112 HydrophobicContact CB-CG2 4.46Å; C104-V125 VanDerWaalsContact SG-CG1 3.6Å; C104-K126 VanDerWaalsContact CB-O 3.25Å; C104-K126 WeakPolarHBondContact CB-O 3.47Å; C104-K126 PolarHBondContact N-O 3.18Å; C104-A127 HydrophobicContact CB-CB 4.07Å |
| 105 | L | 94.6 | Very high | 92.7 | Very high | 40 Ų | 40 | 67.2 Ų | 67.2 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -48.1 | -177.9 | -177.5 | 64 | 0 | 0 | 0 | 110.9 | D103 K107 G108 Y109 F110 R128 A149 | D103-L105 VanDerWaalsContact C-N 3.31Å; D103-L105 WeakPolarHBondContact OD1-CA 3.34Å; D103-L105 WeakPolarHBondContact OD1-CB 3.38Å; D103-L105 PolarHBondContact OD1-N 3.03Å; L105-K107 PolarHBondContact O-N 3.1Å; L105-G108 PolarHBondContact O-N 2.83Å; L105-Y109 WeakPolarHBondContact CA-O 3.19Å; L105-Y109 PolarHBondContact N-O 3.48Å; L105-F110 HydrophobicContact CD1-CD1 3.6Å; L105-F110 HydrophobicContact CD1-CE1 3.56Å; L105-F110 HydrophobicContact CD1-CZ 4.5Å; L105-R128 HydrophobicContact CD1-CG 3.98Å; L105-A149 WeakPolarHBondContact CD2-O 3.47Å |
| 106 | R | 94.3 | Very high | 93.5 | Very high | 212 Ų | 212 | 61.7 Ų | 61.7 | 80% | 0.8 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.7 | 175.3 | -73.4 | -179.5 | 69.7 | 177.6 | 2.8 | 113.5 | D103 G108 | D103-R106 HydrophobicContact CB-CB 4.15Å; D103-R106 HydrophobicContact CB-CG 4.3Å; D103-R106 VanDerWaalsContact CG-CG 3.47Å; D103-R106 PolarHBondContact OD1-N 3.2Å; D103-R106 WeakPolarHBondContact OD2-CD 2.92Å; D103-R106 VanDerWaalsContact OD2-CG 3.25Å; D103-R106 WeakPolarHBondContact OD2-CG 3.28Å; R106-G108 VanDerWaalsContact C-N 3.32Å |
| 107 | K | 94.9 | Very high | 94 | Very high | 123 Ų | 123 | 66.3 Ų | 66.3 | 54% | 0.535 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.8 | 175.7 | -61.4 | -66.7 | -175.4 | 175.4 | 0 | 113.1 | L82 D103 C104 L105 Y109 | L82-K107 HydrophobicContact CB-CG 4.35Å; L82-K107 HydrophobicContact CD1-CB 4.27Å; L82-K107 HydrophobicContact CD1-CG 4.29Å; L82-K107 HydrophobicContact CD2-CB 4.02Å; L82-K107 HydrophobicContact CD2-CG 4.18Å; L82-K107 WeakPolarHBondContact O-CE 3.37Å; D103-K107 VanDerWaalsContact O-CG 3.27Å; D103-K107 WeakPolarHBondContact O-CG 3.43Å; D103-K107 PolarHBondContact O-N 3.23Å; C104-K107 CarbonylContact O-C 3.46Å; C104-K107 PolarHBondContact O-N 3.11Å; C104-K107 VanDerWaalsContact O-N 3.15Å; L105-K107 PolarHBondContact O-N 3.1Å; K107-Y109 HydrophobicContact CB-CD2 4.12Å; K107-Y109 HydrophobicContact CB-CE2 4.43Å |
| 108 | G | 95.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 34% | 0.34 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87 | 19 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P72 C104 L105 R106 | P72-G108 VanDerWaalsContact CB-O 3.28Å; P72-G108 WeakPolarHBondContact CB-O 3.42Å; P72-G108 WeakPolarHBondContact CG-O 3.33Å; C104-G108 PolarHBondContact O-N 3.42Å; C104-G108 VanDerWaalsContact O-N 3.17Å; L105-G108 PolarHBondContact O-N 2.83Å; R106-G108 VanDerWaalsContact C-N 3.32Å |
| 109 | Y | 96.8 | Very high | 94.5 | Very high | 81 Ų | 81 | 58.3 Ų | 58.3 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | trans | -116.1 | 128.6 | 177.8 | -60.4 | -74.8 | 0 | 0 | 0 | 111.4 | P72 T73 I74 L82 C104 L105 K107 | P72-Y109 HydrophobicContact CB-CD1 4.36Å; T73-Y109 WeakPolarHBondContact O-CD1 3.19Å; I74-Y109 HydrophobicContact CB-CD1 3.79Å; I74-Y109 HydrophobicContact CB-CD2 4.26Å; I74-Y109 HydrophobicContact CB-CE1 4.19Å; I74-Y109 HydrophobicContact CB-CG 3.82Å; I74-Y109 HydrophobicContact CD1-CD2 4.1Å; I74-Y109 HydrophobicContact CD1-CE2 4.04Å; I74-Y109 HydrophobicContact CG2-CD1 4.45Å; I74-Y109 HydrophobicContact CG2-CG 4.06Å; L82-Y109 HydrophobicContact CD1-CD2 4.45Å; L82-Y109 HydrophobicContact CD2-CD2 4.24Å; L82-Y109 HydrophobicContact CD2-CE2 3.79Å; C104-Y109 CarbonylContact C-O 3.56Å; C104-Y109 PolarHBondContact O-N 2.9Å; C104-Y109 VanDerWaalsContact O-O 3.09Å; L105-Y109 WeakPolarHBondContact CA-O 3.19Å; L105-Y109 PolarHBondContact N-O 3.48Å; K107-Y109 HydrophobicContact CB-CD2 4.12Å; K107-Y109 HydrophobicContact CB-CE2 4.43Å | ||
| 110 | F | 96.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 66.8 Ų | 66.8 | 16% | 0.158 | 31% | 0.313 | C | S | . | . | trans | -98 | -34.6 | -177 | -70.3 | 7.5 | 0 | 0 | 0 | 111.9 | Y70 P72 L105 R128 F129 | Y70-F110 HydrophobicContact CD1-CD2 4.35Å; Y70-F110 AromaticContact CD1-CE2 3.66Å; Y70-F110 HydrophobicContact CD1-CE2 3.66Å; Y70-F110 AromaticContact CD1-CZ 3.82Å; Y70-F110 HydrophobicContact CD1-CZ 3.82Å; Y70-F110 HydrophobicContact CE1-CE1 4.46Å; Y70-F110 HydrophobicContact CE1-CE2 4.26Å; Y70-F110 HydrophobicContact CE1-CZ 4.02Å; Y70-F110 WeakPolarHBondContact O-CD2 3.22Å; Y70-F110 WeakPolarHBondContact O-CE2 3.26Å; P72-F110 HydrophobicContact CG-CB 4.46Å; P72-F110 HydrophobicContact CG-CD1 4.1Å; P72-F110 HydrophobicContact CG-CG 4.15Å; P72-F110 PolarHBondContact O-N 3.24Å; L105-F110 HydrophobicContact CD1-CD1 3.6Å; L105-F110 HydrophobicContact CD1-CE1 3.56Å; L105-F110 HydrophobicContact CD1-CZ 4.5Å; F110-R128 HydrophobicContact CB-CB 4.39Å; F110-R128 HydrophobicContact CB-CG 4.42Å; F110-R128 HydrophobicContact CG-CG 4.45Å; F110-R128 WeakPolarHBondContact O-CA 3.39Å; F110-R128 WeakPolarHBondContact O-CB 3.18Å; F110-R128 PolarHBondContact O-N 3.29Å; F110-F129 PolarHBondContact O-N 3.44Å | ||
| 111 | K | 97.7 | Very high | 94.3 | Very high | 74 Ų | 74 | 67.2 Ų | 67.2 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.2 | -176.2 | -175.2 | 170.2 | -172.6 | 175.4 | 0 | 113 | P72 T73 I74 L113 F129 | P72-K111 PolarHBondContact O-N 3.19Å; T73-K111 CarbonylContact C-O 3.17Å; T73-K111 VanDerWaalsContact CA-O 3.24Å; T73-K111 WeakPolarHBondContact CA-O 3.38Å; T73-K111 HydrophobicContact CG2-CB 3.95Å; T73-K111 HydrophobicContact CG2-CG 4.45Å; I74-K111 PolarHBondContact N-O 3.39Å; K111-L113 HydrophobicContact CD-CD2 4.14Å; K111-L113 HydrophobicContact CG-CD2 4.11Å; K111-F129 CarbonylContact C-O 3.59Å; K111-F129 VanDerWaalsContact CA-O 3.28Å; K111-F129 WeakPolarHBondContact CA-O 3.38Å; K111-F129 HydrophobicContact CB-CB 3.88Å; K111-F129 HydrophobicContact CB-CD2 4.48Å; K111-F129 HydrophobicContact CD-CB 4.13Å; K111-F129 HydrophobicContact CG-CB 3.75Å |
| 112 | V | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 127.6 | 175.1 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | I74 L76 I79 C104 V125 A127 F129 F130 S131 A134 | I74-V112 HydrophobicContact CG2-CG2 3.97Å; I74-V112 CarbonylContact O-C 3.55Å; I74-V112 WeakPolarHBondContact O-CA 3.39Å; L76-V112 HydrophobicContact CD2-CG1 3.72Å; I79-V112 HydrophobicContact CD1-CG1 3.82Å; C104-V112 HydrophobicContact CB-CG2 4.46Å; V112-V125 HydrophobicContact CG2-CG1 3.97Å; V112-A127 HydrophobicContact CG2-CB 3.67Å; V112-F129 PolarHBondContact N-O 2.85Å; V112-F130 HydrophobicContact CB-CD1 3.65Å; V112-F130 HydrophobicContact CB-CE1 3.82Å; V112-F130 HydrophobicContact CG1-CD1 4.19Å; V112-F130 HydrophobicContact CG1-CE1 4.32Å; V112-F130 HydrophobicContact CG2-CD1 4.13Å; V112-F130 HydrophobicContact CG2-CE1 3.78Å; V112-F130 HydrophobicContact CG2-CZ 4.49Å; V112-S131 PolarHBondContact O-N 3.29Å; V112-A134 HydrophobicContact CG1-CB 4.12Å |
| 113 | L | 98.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 25% | 0.246 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 147.5 | -176.2 | -62.9 | -179.5 | 0 | 0 | 0 | 111.8 | T73 I74 N75 L76 K111 K115 | T73-L113 HydrophobicContact CG2-CD1 4.19Å; I74-L113 PolarHBondContact O-N 3.23Å; N75-L113 WeakPolarHBondContact CA-O 3.29Å; N75-L113 WeakPolarHBondContact OD1-CB 3.31Å; L76-L113 WeakPolarHBondContact CG-O 3.38Å; L76-L113 PolarHBondContact N-O 3.17Å; K111-L113 HydrophobicContact CD-CD2 4.14Å; K111-L113 HydrophobicContact CG-CD2 4.11Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 2.89Å |
| 114 | G | 96.1 | Very high | 94.1 | Very high | 6 Ų | 6 | 66.4 Ų | 66.4 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | trans | -83.7 | 18.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | S131 K137 | G114-S131 PolarHBondContact N-OG 3.29Å; G114-S131 VanDerWaalsContact N-OG 3.17Å; G114-K137 PolarHBondContact O-NZ 3.12Å | ||
| 115 | K | 97.1 | Very high | 94.1 | Very high | 138 Ų | 138 | 66.4 Ų | 66.4 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | trans | -74.2 | 141.7 | 177.2 | -169.9 | -172.6 | 174.8 | -174.7 | 0 | 110.3 | N75 L76 D77 L113 | N75-K115 HydrophobicContact CB-CB 4.02Å; N75-K115 WeakPolarHBondContact OD1-CB 3.1Å; L76-K115 PolarHBondContact N-O 3.4Å; D77-K115 PolarHBondContact N-O 2.99Å; L113-K115 VanDerWaalsContact C-N 3.34Å; L113-K115 PolarHBondContact O-N 2.89Å | ||
| 116 | G | 93.7 | Very high | 94.2 | Very high | 20 Ų | 20 | 68 Ų | 68 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 85.3 | -171.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K137 | G116-K137 PolarHBondContact O-NZ 3.24Š|
| 117 | Y | 89.4 | Confident | 94.4 | Very high | 207 Ų | 207 | 57.9 Ų | 57.9 | 81% | 0.812 | 28% | 0.278 | S | S | * | . | trans | -115.2 | 143.1 | -177.4 | -62.6 | -87.5 | 0 | 0 | 0 | 109.8 | ||||
| 118 | L | 90.4 | Very high | 94.4 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 11% | 0.105 | 27% | 0.269 | C | S | . | . | trans | -91.7 | 140.3 | 164.2 | -74 | 168.8 | 0 | 0 | 0 | 108.2 | L76 I79 V123 I138 V141 | L76-L118 HydrophobicContact CB-CD2 4.15Å; L76-L118 HydrophobicContact CB-CG 4.03Å; L76-L118 HydrophobicContact CD1-CD1 4.04Å; L76-L118 HydrophobicContact CD1-CG 4.2Å; L76-L118 HydrophobicContact CD2-CD1 4.13Å; L76-L118 HydrophobicContact CD2-CG 4.5Å; L76-L118 HydrophobicContact CG-CD1 4.47Å; L76-L118 HydrophobicContact CG-CG 4.47Å; I79-L118 HydrophobicContact CB-CD2 4.47Å; L118-V123 HydrophobicContact CD1-CG1 4.46Å; L118-I138 HydrophobicContact CD1-CB 4.48Å; L118-I138 HydrophobicContact CD1-CG1 3.74Å; L118-V141 HydrophobicContact CB-CG1 3.98Å; L118-V141 HydrophobicContact CB-CG2 4.38Å; L118-V141 HydrophobicContact CD1-CG2 3.96Å | ||
| 119 | P | 89.6 | Confident | 94.5 | Very high | 38 Ų | 38 | 59.5 Ų | 59.5 | 25% | 0.247 | 27% | 0.273 | C | S | . | . | trans | -58.3 | 155.4 | 164.8 | 28.6 | -34.3 | 0 | 0 | 0 | 109.2 | W80 Y88 V121 | W80-P119 VanDerWaalsContact CD1-CD 3.43Å; W80-P119 HydrophobicContact CD2-CG 4.5Å; W80-P119 HydrophobicContact CG-CG 4.33Å; W80-P119 HydrophobicContact CZ2-CG 4.37Å; W80-P119 VanDerWaalsContact NE1-CD 3.28Å; Y88-P119 HydrophobicContact CE2-CB 4.49Å; Y88-P119 HydrophobicContact CE2-CG 3.99Å; P119-V121 HydrophobicContact CB-CG2 4.33Å; P119-V121 PolarHBondContact O-N 3.4Å | ||
| 120 | K | 88.1 | Confident | 94.6 | Very high | 204 Ų | 204 | 57.2 Ų | 57.2 | 89% | 0.887 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -73.2 | 51.4 | 176.9 | -61.6 | -175.3 | 179.8 | -178.6 | 0 | 111.7 | ||
| 121 | V | 89.9 | Confident | 94.6 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -122.7 | 121 | 177.7 | -179.2 | 0 | 0 | 0 | 0 | 106.6 | W80 Y88 R92 P119 V123 | W80-V121 HydrophobicContact CH2-CB 4.26Å; W80-V121 HydrophobicContact CH2-CG1 3.73Å; W80-V121 HydrophobicContact CZ2-CB 3.88Å; W80-V121 HydrophobicContact CZ2-CG1 3.86Å; Y88-V121 HydrophobicContact CE2-CG2 4.49Å; R92-V121 HydrophobicContact CB-CG2 4.44Å; R92-V121 HydrophobicContact CG-CG2 4.35Å; P119-V121 HydrophobicContact CB-CG2 4.33Å; P119-V121 PolarHBondContact O-N 3.4Å; V121-V123 PolarHBondContact O-N 3.06Å |
| 122 | P | 92.4 | Very high | 94.6 | Very high | 61 Ų | 61 | 62.7 Ų | 62.7 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | trans | -54.7 | 136.8 | 177.3 | -27.8 | 36.2 | 0 | 0 | 0 | 111.8 | A99 P100 V141 | A99-P122 HydrophobicContact CB-CB 4.13Å; P100-P122 WeakPolarHBondContact CD-O 3.22Å; P122-V141 WeakPolarHBondContact CA-O 3.42Å | ||
| 123 | V | 93.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | trans | -143.2 | 136.3 | -177.3 | 62.3 | 0 | 0 | 0 | 0 | 111.6 | W80 I102 L118 V121 V125 V141 G143 A144 | W80-V123 HydrophobicContact CH2-CB 4.5Å; W80-V123 HydrophobicContact CZ2-CB 3.99Å; W80-V123 HydrophobicContact CZ2-CG2 4.29Å; I102-V123 HydrophobicContact CD1-CG2 3.63Å; I102-V123 HydrophobicContact CG1-CG2 3.95Å; L118-V123 HydrophobicContact CD1-CG1 4.46Å; V121-V123 PolarHBondContact O-N 3.06Å; V123-V125 HydrophobicContact CG1-CG2 4.21Å; V123-V125 HydrophobicContact CG2-CG2 4.03Å; V123-V141 HydrophobicContact CG1-CG2 4.39Å; V123-G143 CarbonylContact O-C 3.44Å; V123-G143 WeakPolarHBondContact O-CA 3.38Å; V123-A144 PolarHBondContact O-N 3.01Å | ||
| 124 | I | 94.7 | Very high | 94.5 | Very high | 42 Ų | 42 | 66.2 Ų | 66.2 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.8 | 173.5 | -62.1 | 169.6 | 0 | 0 | 0 | 107.8 | A99 P100 V101 I102 A144 I146 | A99-I124 HydrophobicContact CB-CD1 4.16Å; A99-I124 HydrophobicContact CB-CG1 4.02Å; P100-I124 PolarHBondContact O-N 3.31Å; V101-I124 CarbonylContact C-O 3.56Å; V101-I124 WeakPolarHBondContact CA-O 3.29Å; V101-I124 HydrophobicContact CG1-CG2 4.38Å; V101-I124 HydrophobicContact CG2-CB 4.14Å; V101-I124 HydrophobicContact CG2-CD1 4.22Å; V101-I124 HydrophobicContact CG2-CG2 4.19Å; I102-I124 PolarHBondContact N-O 3.18Å; I124-A144 CarbonylContact C-O 3.58Å; I124-A144 WeakPolarHBondContact CA-O 3.47Å; I124-A144 HydrophobicContact CG1-CB 4.31Å; I124-I146 HydrophobicContact CG2-CD1 3.35Å; I124-I146 HydrophobicContact CG2-CG1 3.92Å |
| 125 | V | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.3 | -177.3 | -173.5 | 0 | 0 | 0 | 0 | 109.4 | I79 C104 V112 V123 F130 I138 A144 I146 | I79-V125 HydrophobicContact CD1-CG1 4.31Å; I79-V125 HydrophobicContact CD1-CG2 4.08Å; I79-V125 HydrophobicContact CG2-CG2 4.39Å; C104-V125 VanDerWaalsContact SG-CG1 3.6Å; V112-V125 HydrophobicContact CG2-CG1 3.97Å; V123-V125 HydrophobicContact CG1-CG2 4.21Å; V123-V125 HydrophobicContact CG2-CG2 4.03Å; V125-F130 HydrophobicContact CB-CE1 4.03Å; V125-F130 HydrophobicContact CB-CZ 4.31Å; V125-F130 HydrophobicContact CG1-CE1 3.76Å; V125-F130 HydrophobicContact CG1-CZ 4.1Å; V125-F130 WeakPolarHBondContact O-CZ 3.36Å; V125-I138 HydrophobicContact CB-CD1 4.15Å; V125-I138 HydrophobicContact CG2-CD1 3.87Å; V125-I138 HydrophobicContact CG2-CG1 4.39Å; V125-A144 PolarHBondContact N-O 2.91Å; V125-I146 PolarHBondContact O-N 3.4Å |
| 126 | K | 97.1 | Very high | 94.5 | Very high | 72 Ų | 72 | 67.9 Ų | 67.9 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 120 | 173.5 | -74.1 | 178.9 | 176.3 | -173.9 | 0 | 110.2 | V101 I102 C104 I146 | V101-K126 HydrophobicContact CG1-CD 3.71Å; V101-K126 HydrophobicContact CG1-CG 4.06Å; I102-K126 PolarHBondContact O-N 3.26Å; C104-K126 VanDerWaalsContact CB-O 3.25Å; C104-K126 WeakPolarHBondContact CB-O 3.47Å; C104-K126 PolarHBondContact N-O 3.18Å; K126-I146 WeakPolarHBondContact CA-O 3.47Å; K126-I146 HydrophobicContact CG-CB 3.78Å; K126-I146 HydrophobicContact CG-CD1 4.23Å; K126-I146 HydrophobicContact CG-CG2 3.92Å |
| 127 | A | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 167.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | C104 V112 F130 I146 L147 S148 | C104-A127 HydrophobicContact CB-CB 4.07Å; V112-A127 HydrophobicContact CG2-CB 3.67Å; A127-F130 HydrophobicContact CB-CE1 4.14Å; A127-F130 HydrophobicContact CB-CE2 3.87Å; A127-F130 HydrophobicContact CB-CZ 3.57Å; A127-I146 PolarHBondContact N-O 3.23Å; A127-L147 WeakPolarHBondContact O-CA 3.2Å; A127-S148 PolarHBondContact O-N 3.44Å |
| 128 | R | 96.5 | Very high | 94.9 | Very high | 92 Ų | 92 | 59.7 Ų | 59.7 | 35% | 0.347 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -74.5 | -35 | 175.3 | -58 | -172.1 | 65.6 | -174.6 | -0.1 | 112.2 | L105 F110 S148 A149 | L105-R128 HydrophobicContact CD1-CG 3.98Å; F110-R128 HydrophobicContact CB-CB 4.39Å; F110-R128 HydrophobicContact CB-CG 4.42Å; F110-R128 HydrophobicContact CG-CG 4.45Å; F110-R128 WeakPolarHBondContact O-CA 3.39Å; F110-R128 WeakPolarHBondContact O-CB 3.18Å; F110-R128 PolarHBondContact O-N 3.29Å; R128-S148 WeakPolarHBondContact CA-O 3.35Å; R128-S148 WeakPolarHBondContact CG-O 3.42Å; R128-A149 PolarHBondContact NE-OXT 3.06Å |
| 129 | F | 97.1 | Very high | 95.1 | Very high | 98 Ų | 98 | 64.7 Ų | 64.7 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 147.5 | -175 | -54.7 | -70.8 | 0 | 0 | 0 | 112.1 | F110 K111 V112 | F110-F129 PolarHBondContact O-N 3.44Å; K111-F129 CarbonylContact C-O 3.59Å; K111-F129 VanDerWaalsContact CA-O 3.28Å; K111-F129 WeakPolarHBondContact CA-O 3.38Å; K111-F129 HydrophobicContact CB-CB 3.88Å; K111-F129 HydrophobicContact CB-CD2 4.48Å; K111-F129 HydrophobicContact CD-CB 4.13Å; K111-F129 HydrophobicContact CG-CB 3.75Å; V112-F129 PolarHBondContact N-O 2.85Å |
| 130 | F | 97.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 67 Ų | 67 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.7 | 172.1 | -64.8 | -91.9 | 0 | 0 | 0 | 109.6 | V112 V125 A127 I138 C145 L147 | V112-F130 HydrophobicContact CB-CD1 3.65Å; V112-F130 HydrophobicContact CB-CE1 3.82Å; V112-F130 HydrophobicContact CG1-CD1 4.19Å; V112-F130 HydrophobicContact CG1-CE1 4.32Å; V112-F130 HydrophobicContact CG2-CD1 4.13Å; V112-F130 HydrophobicContact CG2-CE1 3.78Å; V112-F130 HydrophobicContact CG2-CZ 4.49Å; V125-F130 HydrophobicContact CB-CE1 4.03Å; V125-F130 HydrophobicContact CB-CZ 4.31Å; V125-F130 HydrophobicContact CG1-CE1 3.76Å; V125-F130 HydrophobicContact CG1-CZ 4.1Å; V125-F130 WeakPolarHBondContact O-CZ 3.36Å; A127-F130 HydrophobicContact CB-CE1 4.14Å; A127-F130 HydrophobicContact CB-CE2 3.87Å; A127-F130 HydrophobicContact CB-CZ 3.57Å; F130-I138 HydrophobicContact CD1-CD1 4.23Å; F130-I138 HydrophobicContact CE1-CD1 4.12Å; F130-C145 HydrophobicContact CD1-CB 4.17Å; F130-C145 HydrophobicContact CD2-CB 4.12Å; F130-C145 HydrophobicContact CE1-CB 4.02Å; F130-C145 HydrophobicContact CE2-CB 3.96Å; F130-C145 HydrophobicContact CG-CB 4.23Å; F130-C145 HydrophobicContact CZ-CB 3.92Å; F130-L147 HydrophobicContact CD2-CD2 3.82Å; F130-L147 HydrophobicContact CE2-CD2 4.02Å |
| 131 | S | 97.7 | Very high | 95.5 | Very high | 27 Ų | 27 | 58.6 Ų | 58.6 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | trans | -76.9 | 148.9 | 162.2 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | V112 G114 K133 A134 E135 | V112-S131 PolarHBondContact O-N 3.29Å; G114-S131 PolarHBondContact N-OG 3.29Å; G114-S131 VanDerWaalsContact N-OG 3.17Å; S131-K133 VanDerWaalsContact C-N 3.25Å; S131-K133 PolarHBondContact O-N 2.91Å; S131-A134 WeakPolarHBondContact O-CA 3.44Å; S131-A134 VanDerWaalsContact O-CB 3.31Å; S131-A134 WeakPolarHBondContact O-CB 3.22Å; S131-A134 PolarHBondContact O-N 3.43Å; S131-A134 VanDerWaalsContact OG-CB 3.29Å; S131-A134 WeakPolarHBondContact OG-CB 3.21Å; S131-A134 PolarHBondContact OG-N 2.98Å; S131-E135 PolarHBondContact O-N 3.35Å | ||
| 132 | R | 97.1 | Very high | 95.6 | Very high | 198 Ų | 198 | 60.7 Ų | 60.7 | 75% | 0.747 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -48.1 | -47.9 | 175.5 | -175.2 | 179.7 | 72.1 | -178.4 | -1 | 112.5 | A134 E135 E136 | R132-A134 VanDerWaalsContact C-N 3.28Å; R132-A134 PolarHBondContact O-N 3Å; R132-E135 WeakPolarHBondContact O-CB 3.47Å; R132-E135 PolarHBondContact O-N 3.19Å; R132-E136 WeakPolarHBondContact CG-OE1 3.24Å; R132-E136 IonicContact NE-OE1 2.64Å; R132-E136 WeakPolarHBondContact O-CG 3.23Å; R132-E136 PolarHBondContact O-N 3.06Å |
| 133 | K | 97 | Very high | 95.6 | Very high | 120 Ų | 120 | 58.4 Ų | 58.4 | 52% | 0.522 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.5 | -31 | 177.6 | -171.5 | 174.4 | -174.3 | 170 | 0 | 113.6 | S131 K137 | S131-K133 VanDerWaalsContact C-N 3.25Å; S131-K133 PolarHBondContact O-N 2.91Å; K133-K137 WeakPolarHBondContact O-CG 3.46Å; K133-K137 PolarHBondContact O-N 3.25Å |
| 134 | A | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.3 | -45.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | L76 V112 S131 R132 K137 I138 | L76-A134 HydrophobicContact CD2-CB 4.14Å; L76-A134 HydrophobicContact CG-CB 4.47Å; V112-A134 HydrophobicContact CG1-CB 4.12Å; S131-A134 WeakPolarHBondContact O-CA 3.44Å; S131-A134 VanDerWaalsContact O-CB 3.31Å; S131-A134 WeakPolarHBondContact O-CB 3.22Å; S131-A134 PolarHBondContact O-N 3.43Å; S131-A134 VanDerWaalsContact OG-CB 3.29Å; S131-A134 WeakPolarHBondContact OG-CB 3.21Å; S131-A134 PolarHBondContact OG-N 2.98Å; R132-A134 VanDerWaalsContact C-N 3.28Å; R132-A134 PolarHBondContact O-N 3Å; A134-K137 PolarHBondContact O-N 2.91Å; A134-I138 VanDerWaalsContact O-CG1 3.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.5Å; A134-I138 PolarHBondContact O-N 3.38Å |
| 135 | E | 96.5 | Very high | 95.8 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 35% | 0.35 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -48.2 | 179.2 | -171.6 | -174.3 | 165.2 | 0 | 0 | 112 | S131 R132 K137 I138 K139 | S131-E135 PolarHBondContact O-N 3.35Å; R132-E135 WeakPolarHBondContact O-CB 3.47Å; R132-E135 PolarHBondContact O-N 3.19Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-K137 PolarHBondContact O-N 2.95Å; E135-I138 PolarHBondContact O-N 3.24Å; E135-K139 HydrophobicContact CG-CD 4.14Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 WeakPolarHBondContact O-CG 3.11Å; E135-K139 PolarHBondContact O-N 3.4Å; E135-K139 WeakPolarHBondContact OE1-CE 3.46Å; E135-K139 IonicContact OE1-NZ 3.7Å; E135-K139 PolarHBondContact OE1-NZ 3.32Å |
| 136 | E | 96.3 | Very high | 95.8 | Very high | 105 Ų | 105 | 63.3 Ų | 63.3 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.9 | -46.1 | 176.5 | -73.3 | 165.9 | 179.8 | 0 | 0 | 111.9 | R132 K139 A140 | R132-E136 WeakPolarHBondContact CG-OE1 3.24Å; R132-E136 IonicContact NE-OE1 2.64Å; R132-E136 WeakPolarHBondContact O-CG 3.23Å; R132-E136 PolarHBondContact O-N 3.06Å; E136-K139 PolarHBondContact O-N 3.08Å; E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.48Å; E136-A140 PolarHBondContact O-N 3.35Å |
| 137 | K | 95.9 | Very high | 95.8 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.9 | -37.2 | -179.2 | -76.4 | 179.9 | 172.7 | -174.5 | 0 | 113.4 | L76 G114 G116 K133 A134 E135 A140 V141 | L76-K137 HydrophobicContact CD1-CB 3.46Å; L76-K137 VanDerWaalsContact CD1-CB 3.46Å; L76-K137 HydrophobicContact CD1-CD 3.46Å; L76-K137 VanDerWaalsContact CD1-CD 3.46Å; L76-K137 HydrophobicContact CD1-CG 4.11Å; G114-K137 PolarHBondContact O-NZ 3.12Å; G116-K137 PolarHBondContact O-NZ 3.24Å; K133-K137 WeakPolarHBondContact O-CG 3.46Å; K133-K137 PolarHBondContact O-N 3.25Å; A134-K137 PolarHBondContact O-N 2.91Å; E135-K137 VanDerWaalsContact C-N 3.32Å; E135-K137 PolarHBondContact O-N 2.95Å; K137-A140 PolarHBondContact O-N 3.2Å; K137-V141 PolarHBondContact O-N 3.38Å |
| 138 | I | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.3 | -45 | 175.8 | -70.7 | 164.7 | 0 | 0 | 0 | 109.4 | L76 L118 V125 F130 A134 E135 A140 V141 G143 C145 | L76-I138 HydrophobicContact CD2-CD1 3.79Å; L76-I138 HydrophobicContact CD2-CG1 3.85Å; L118-I138 HydrophobicContact CD1-CB 4.48Å; L118-I138 HydrophobicContact CD1-CG1 3.74Å; V125-I138 HydrophobicContact CB-CD1 4.15Å; V125-I138 HydrophobicContact CG2-CD1 3.87Å; V125-I138 HydrophobicContact CG2-CG1 4.39Å; F130-I138 HydrophobicContact CD1-CD1 4.23Å; F130-I138 HydrophobicContact CE1-CD1 4.12Å; A134-I138 VanDerWaalsContact O-CG1 3.29Å; A134-I138 WeakPolarHBondContact O-CG1 3.5Å; A134-I138 PolarHBondContact O-N 3.38Å; E135-I138 PolarHBondContact O-N 3.24Å; I138-A140 VanDerWaalsContact C-N 3.33Å; I138-A140 PolarHBondContact O-N 3.27Å; I138-V141 WeakPolarHBondContact O-CG2 3.5Å; I138-V141 PolarHBondContact O-N 3.45Å; I138-G143 VanDerWaalsContact O-CA 3.27Å; I138-G143 WeakPolarHBondContact O-CA 3.48Å; I138-G143 PolarHBondContact O-N 2.9Å; I138-C145 WeakPolarHBondContact CD1-SG 3.23Å |
| 139 | K | 95.1 | Very high | 95.1 | Very high | 125 Ų | 125 | 69.4 Ų | 69.4 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 174.8 | -72.9 | 175.1 | 171.6 | 175.5 | 0 | 112 | E135 E136 V141 G142 | E135-K139 HydrophobicContact CG-CD 4.14Å; E135-K139 WeakPolarHBondContact O-CB 3.5Å; E135-K139 WeakPolarHBondContact O-CG 3.11Å; E135-K139 PolarHBondContact O-N 3.4Å; E135-K139 WeakPolarHBondContact OE1-CE 3.46Å; E135-K139 IonicContact OE1-NZ 3.7Å; E135-K139 PolarHBondContact OE1-NZ 3.32Å; E136-K139 PolarHBondContact O-N 3.08Å; K139-V141 VanDerWaalsContact C-N 3.27Å; K139-V141 PolarHBondContact O-N 3.43Å; K139-G142 PolarHBondContact O-N 3.41Å |
| 140 | A | 94.3 | Very high | 95 | Very high | 86 Ų | 86 | 68 Ų | 68 | 71% | 0.711 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.5 | -26.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E136 K137 I138 G142 | E136-A140 VanDerWaalsContact O-CB 3.31Å; E136-A140 WeakPolarHBondContact O-CB 3.48Å; E136-A140 PolarHBondContact O-N 3.35Å; K137-A140 PolarHBondContact O-N 3.2Å; I138-A140 VanDerWaalsContact C-N 3.33Å; I138-A140 PolarHBondContact O-N 3.27Å; A140-G142 VanDerWaalsContact C-N 3.31Å |
| 141 | V | 92 | Very high | 94.8 | Very high | 28 Ų | 28 | 69.7 Ų | 69.7 | 17% | 0.17 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 9.8 | 174 | -60.5 | 0 | 0 | 0 | 0 | 113.2 | L118 P122 V123 K137 I138 K139 G143 | L118-V141 HydrophobicContact CB-CG1 3.98Å; L118-V141 HydrophobicContact CB-CG2 4.38Å; L118-V141 HydrophobicContact CD1-CG2 3.96Å; P122-V141 WeakPolarHBondContact CA-O 3.42Å; V123-V141 HydrophobicContact CG1-CG2 4.39Å; K137-V141 PolarHBondContact O-N 3.38Å; I138-V141 WeakPolarHBondContact O-CG2 3.5Å; I138-V141 PolarHBondContact O-N 3.45Å; K139-V141 VanDerWaalsContact C-N 3.27Å; K139-V141 PolarHBondContact O-N 3.43Å; V141-G143 VanDerWaalsContact C-N 3.28Å |
| 142 | G | 91.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 60% | 0.598 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 15.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K139 A140 | K139-G142 PolarHBondContact O-N 3.41Å; A140-G142 VanDerWaalsContact C-N 3.31Å |
| 143 | G | 93.2 | Very high | 94.5 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 13% | 0.134 | 39% | 0.39 | C | S | . | . | trans | -86.4 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V123 I138 V141 | V123-G143 CarbonylContact O-C 3.44Å; V123-G143 WeakPolarHBondContact O-CA 3.38Å; I138-G143 VanDerWaalsContact O-CA 3.27Å; I138-G143 WeakPolarHBondContact O-CA 3.48Å; I138-G143 PolarHBondContact O-N 2.9Å; V141-G143 VanDerWaalsContact C-N 3.28Å | ||
| 144 | A | 95.4 | Very high | 94.4 | Very high | 42 Ų | 42 | 61.3 Ų | 61.3 | 35% | 0.347 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 143.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V123 I124 V125 | V123-A144 PolarHBondContact O-N 3.01Å; I124-A144 CarbonylContact C-O 3.58Å; I124-A144 WeakPolarHBondContact CA-O 3.47Å; I124-A144 HydrophobicContact CG1-CB 4.31Å; V125-A144 PolarHBondContact N-O 2.91Å |
| 145 | C | 96.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 65.3 Ų | 65.3 | 25% | 0.25 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.5 | 171.5 | -60.9 | 0 | 0 | 0 | 0 | 108.9 | F130 I138 | F130-C145 HydrophobicContact CD1-CB 4.17Å; F130-C145 HydrophobicContact CD2-CB 4.12Å; F130-C145 HydrophobicContact CE1-CB 4.02Å; F130-C145 HydrophobicContact CE2-CB 3.96Å; F130-C145 HydrophobicContact CG-CB 4.23Å; F130-C145 HydrophobicContact CZ-CB 3.92Å; I138-C145 WeakPolarHBondContact CD1-SG 3.23Å |
| 146 | I | 96.4 | Very high | 94.1 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 34% | 0.338 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 123.2 | 176.4 | -61.9 | 178.9 | 0 | 0 | 0 | 108.3 | I124 V125 K126 A127 | I124-I146 HydrophobicContact CG2-CD1 3.35Å; I124-I146 HydrophobicContact CG2-CG1 3.92Å; V125-I146 PolarHBondContact O-N 3.4Å; K126-I146 WeakPolarHBondContact CA-O 3.47Å; K126-I146 HydrophobicContact CG-CB 3.78Å; K126-I146 HydrophobicContact CG-CD1 4.23Å; K126-I146 HydrophobicContact CG-CG2 3.92Å; A127-I146 PolarHBondContact N-O 3.23Å |
| 147 | L | 96.4 | Very high | 93.9 | Very high | 132 Ų | 132 | 61.5 Ų | 61.5 | 69% | 0.691 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 127.9 | 171.1 | -64.1 | 174.8 | 0 | 0 | 0 | 109.3 | A127 F130 | A127-L147 WeakPolarHBondContact O-CA 3.2Å; F130-L147 HydrophobicContact CD2-CD2 3.82Å; F130-L147 HydrophobicContact CE2-CD2 4.02Å |
| 148 | S | 91.2 | Very high | 93.7 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 32% | 0.315 | 42% | 0.42 | S | S | . | . | trans | -123.6 | 145.8 | 173.4 | -169.4 | 0 | 0 | 0 | 0 | 109.5 | A127 R128 | A127-S148 PolarHBondContact O-N 3.44Å; R128-S148 WeakPolarHBondContact CA-O 3.35Å; R128-S148 WeakPolarHBondContact CG-O 3.42Å | ||
| 149 | A | 87.1 | Confident | 93.6 | Very high | 114 Ų | 114 | 67.8 Ų | 67.8 | 94% | 0.942 | 46% | 0.458 | S | S | * | . | trans | -80.7 | 0 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111 | L105 R128 | L105-A149 WeakPolarHBondContact CD2-O 3.47Å; R128-A149 PolarHBondContact NE-OXT 3.06Å |
Retrieved 149 of 149 residues in 41.2 ms
(Link to these results)