| 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 | 46.3 | Very low | 55.7 | Low | 248 Ų | 248 | 120.5 Ų | 120.5 | 100% | 1.222 | 67% | 0.671 | S | S | * | * | 0 | 119 | 0 | -91.8 | 75.6 | 169.4 | 0 | 0 | 109.3 | |||||
| 2 | G | 53.9 | Low | 56.3 | Low | 81 Ų | 81 | 119.1 Ų | 119.1 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | trans | 153.4 | 60 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 3 | A | 52.7 | Low | 56.9 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | trans | -73.5 | 151.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | A5 | A3-A5 PolarHBondContact O-N 3.35Š| ||
| 4 | P | 51 | Low | 57.4 | Low | 73 Ų | 73 | 119 Ų | 119 | 47% | 0.474 | 66% | 0.655 | S | S | . | * | trans | -81.9 | 108.1 | -151.5 | 31.8 | -34.4 | 0 | 0 | 0 | 113 | R6 K7 | P4-R6 PolarHBondContact O-N 3.14Å; P4-K7 HydrophobicContact CG-CD 4.11Å; P4-K7 HydrophobicContact CG-CG 4.39Å; P4-K7 PolarHBondContact O-N 3.42Å | ||
| 5 | A | 55.1 | Low | 57.8 | Low | 79 Ų | 79 | 118.3 Ų | 118.3 | 65% | 0.653 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -60.3 | -26.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A3 K7 R8 A9 | A3-A5 PolarHBondContact O-N 3.35Å; A5-K7 PolarHBondContact O-N 2.97Å; A5-R8 PolarHBondContact O-N 3.44Å; A5-A9 PolarHBondContact O-N 3.11Å; A5-A9 VanDerWaalsContact O-N 3.15Å |
| 6 | R | 55.1 | Low | 57.9 | Low | 218 Ų | 218 | 118.3 Ų | 118.3 | 82% | 0.823 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -68.7 | -32.4 | -176 | -146.6 | 172.2 | -174.6 | 178.8 | 1.2 | 113.8 | P4 S10 | P4-R6 PolarHBondContact O-N 3.14Å; R6-S10 PolarHBondContact O-N 3.44Å; R6-S10 PolarHBondContact O-OG 2.84Å |
| 7 | K | 53.3 | Low | 58 | Low | 148 Ų | 148 | 114.6 Ų | 114.6 | 64% | 0.643 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.6 | -37.5 | 178.9 | -66.7 | -174.9 | -179.9 | -176.3 | 0 | 111.9 | P4 A5 S10 L11 | P4-K7 HydrophobicContact CG-CD 4.11Å; P4-K7 HydrophobicContact CG-CG 4.39Å; P4-K7 PolarHBondContact O-N 3.42Å; A5-K7 PolarHBondContact O-N 2.97Å; K7-S10 PolarHBondContact O-N 2.88Å; K7-L11 VanDerWaalsContact O-CD1 3.29Å; K7-L11 WeakPolarHBondContact O-CD1 3.45Å; K7-L11 PolarHBondContact O-N 2.67Å |
| 8 | R | 55.7 | Low | 58.1 | Low | 180 Ų | 180 | 112.8 Ų | 112.8 | 68% | 0.679 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.4 | -42.3 | 177.1 | -67.5 | -177.6 | 177.6 | -174.1 | -1.9 | 111.7 | A5 L11 L12 | A5-R8 PolarHBondContact O-N 3.44Å; R8-L11 PolarHBondContact O-N 3.4Å; R8-L12 WeakPolarHBondContact O-CB 3.22Å; R8-L12 WeakPolarHBondContact O-CD1 3.11Å; R8-L12 VanDerWaalsContact O-CG 3.3Å; R8-L12 WeakPolarHBondContact O-CG 3.44Å; R8-L12 PolarHBondContact O-N 3.38Å |
| 9 | A | 60.3 | Low | 58.1 | Low | 47 Ų | 47 | 114.8 Ų | 114.8 | 39% | 0.388 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.1 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | A5 L12 L13 | A5-A9 PolarHBondContact O-N 3.11Å; A5-A9 VanDerWaalsContact O-N 3.15Å; A9-L12 PolarHBondContact O-N 3Å; A9-L13 WeakPolarHBondContact O-CB 3.36Å; A9-L13 WeakPolarHBondContact O-CD1 3.45Å; A9-L13 WeakPolarHBondContact O-CG 3.41Å; A9-L13 PolarHBondContact O-N 3Å |
| 10 | S | 64.6 | Low | 57.9 | Low | 61 Ų | 61 | 112.5 Ų | 112.5 | 43% | 0.427 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66 | -41.3 | 176.9 | -61.5 | 0 | 0 | 0 | 0 | 112.8 | R6 K7 L13 L14 | R6-S10 PolarHBondContact O-N 3.44Å; R6-S10 PolarHBondContact O-OG 2.84Å; K7-S10 PolarHBondContact O-N 2.88Å; S10-L13 PolarHBondContact O-N 3.45Å; S10-L14 WeakPolarHBondContact O-CB 3.49Å; S10-L14 WeakPolarHBondContact O-CD1 3.41Å; S10-L14 VanDerWaalsContact O-CG 3.23Å; S10-L14 WeakPolarHBondContact O-CG 3.25Å; S10-L14 PolarHBondContact O-N 2.86Å |
| 11 | L | 64.3 | Low | 57.7 | Low | 110 Ų | 110 | 113.9 Ų | 113.9 | 58% | 0.576 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65 | -40.7 | 173.7 | -96.6 | 104.8 | 0 | 0 | 0 | 112.2 | K7 R8 L14 L15 | K7-L11 VanDerWaalsContact O-CD1 3.29Å; K7-L11 WeakPolarHBondContact O-CD1 3.45Å; K7-L11 PolarHBondContact O-N 2.67Å; R8-L11 PolarHBondContact O-N 3.4Å; L11-L14 PolarHBondContact O-N 2.94Å; L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 2.86Å |
| 12 | L | 63.9 | Low | 58.2 | Low | 104 Ų | 104 | 108 Ų | 108 | 55% | 0.545 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.4 | -41.9 | 175.6 | -76.5 | 161 | 0 | 0 | 0 | 111.8 | R8 A9 L15 L16 | R8-L12 WeakPolarHBondContact O-CB 3.22Å; R8-L12 WeakPolarHBondContact O-CD1 3.11Å; R8-L12 VanDerWaalsContact O-CG 3.3Å; R8-L12 WeakPolarHBondContact O-CG 3.44Å; R8-L12 PolarHBondContact O-N 3.38Å; A9-L12 PolarHBondContact O-N 3Å; L12-L15 PolarHBondContact O-N 2.7Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 WeakPolarHBondContact O-CD1 3.21Å; L12-L16 VanDerWaalsContact O-CG 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.2Å |
| 13 | L | 63.4 | Low | 58.4 | Low | 120 Ų | 120 | 108.2 Ų | 108.2 | 63% | 0.628 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.7 | -41.4 | 174.6 | -80.7 | 155.6 | 0 | 0 | 0 | 112.1 | A9 S10 A17 | A9-L13 WeakPolarHBondContact O-CB 3.36Å; A9-L13 WeakPolarHBondContact O-CD1 3.45Å; A9-L13 WeakPolarHBondContact O-CG 3.41Å; A9-L13 PolarHBondContact O-N 3Å; S10-L13 PolarHBondContact O-N 3.45Å; L13-A17 WeakPolarHBondContact O-CB 3.49Å; L13-A17 PolarHBondContact O-N 2.82Å |
| 14 | L | 64.1 | Low | 58.8 | Low | 117 Ų | 117 | 108.9 Ų | 108.9 | 61% | 0.613 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.4 | -42.1 | 176.5 | -73.4 | 162.5 | 0 | 0 | 0 | 112 | S10 L11 A17 T18 | S10-L14 WeakPolarHBondContact O-CB 3.49Å; S10-L14 WeakPolarHBondContact O-CD1 3.41Å; S10-L14 VanDerWaalsContact O-CG 3.23Å; S10-L14 WeakPolarHBondContact O-CG 3.25Å; S10-L14 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 2.94Å; L14-A17 PolarHBondContact O-N 2.94Å; L14-T18 WeakPolarHBondContact O-CG2 3.31Å; L14-T18 PolarHBondContact O-N 3.39Å; L14-T18 PolarHBondContact O-OG1 3.19Å |
| 15 | L | 62.8 | Low | 59.2 | Low | 108 Ų | 108 | 111.8 Ų | 111.8 | 57% | 0.565 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -41.6 | 177 | -72 | 168.2 | 0 | 0 | 0 | 112.1 | L11 L12 T18 M19 | L11-L15 WeakPolarHBondContact O-CB 3.47Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.43Å; L11-L15 PolarHBondContact O-N 2.86Å; L12-L15 PolarHBondContact O-N 2.7Å; L15-T18 WeakPolarHBondContact CA-OG1 3.35Å; L15-T18 PolarHBondContact O-N 3.43Å; L15-T18 PolarHBondContact O-OG1 3.28Å; L15-M19 PolarHBondContact O-N 2.79Å |
| 16 | L | 59.9 | Low | 59.5 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 62% | 0.623 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.9 | -39.1 | 174.7 | -71 | 167.1 | 0 | 0 | 0 | 111.9 | L12 T18 M19 A20 | L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 WeakPolarHBondContact O-CD1 3.21Å; L12-L16 VanDerWaalsContact O-CG 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.23Å; L12-L16 PolarHBondContact O-N 3.2Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 3.49Å; L16-M19 PolarHBondContact O-N 3.08Å; L16-A20 PolarHBondContact O-N 2.96Å |
| 17 | A | 60.4 | Low | 59.6 | Low | 55 Ų | 55 | 111.1 Ų | 111.1 | 46% | 0.455 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.7 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L13 L14 A20 | L13-A17 WeakPolarHBondContact O-CB 3.49Å; L13-A17 PolarHBondContact O-N 2.82Å; L14-A17 PolarHBondContact O-N 2.94Å; A17-A20 PolarHBondContact O-N 2.83Å |
| 18 | T | 59.1 | Low | 60.1 | Low | 82 Ų | 82 | 109.2 Ų | 109.2 | 50% | 0.503 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.9 | -30.7 | 175.5 | 55.1 | 0 | 0 | 0 | 0 | 113.4 | L14 L15 L16 A20 L21 | L14-T18 WeakPolarHBondContact O-CG2 3.31Å; L14-T18 PolarHBondContact O-N 3.39Å; L14-T18 PolarHBondContact O-OG1 3.19Å; L15-T18 WeakPolarHBondContact CA-OG1 3.35Å; L15-T18 PolarHBondContact O-N 3.43Å; L15-T18 PolarHBondContact O-OG1 3.28Å; L16-T18 VanDerWaalsContact C-N 3.34Å; L16-T18 PolarHBondContact O-N 3.49Å; T18-A20 VanDerWaalsContact C-N 3.31Å; T18-A20 PolarHBondContact O-N 3.48Å; T18-L21 PolarHBondContact O-N 3Å |
| 19 | M | 57.7 | Low | 60.6 | Low | 151 Ų | 151 | 108.8 Ų | 108.8 | 74% | 0.744 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.8 | -26.9 | 179 | -150.3 | 169.1 | -143.6 | 0 | 0 | 112.5 | L15 L16 | L15-M19 PolarHBondContact O-N 2.79Å; L16-M19 PolarHBondContact O-N 3.08Å |
| 20 | A | 55 | Low | 60.8 | Low | 69 Ų | 69 | 112 Ų | 112 | 57% | 0.57 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -77.6 | -17.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114 | L16 A17 T18 S23 | L16-A20 PolarHBondContact O-N 2.96Å; A17-A20 PolarHBondContact O-N 2.83Å; T18-A20 VanDerWaalsContact C-N 3.31Å; T18-A20 PolarHBondContact O-N 3.48Å; A20-S23 PolarHBondContact O-OG 2.9Å |
| 21 | L | 53.8 | Low | 60.7 | Low | 141 Ų | 141 | 117.7 Ų | 117.7 | 74% | 0.738 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -82.7 | -16.5 | 176.6 | -85.5 | 149.1 | 0 | 0 | 0 | 113.1 | T18 | T18-L21 PolarHBondContact O-N 3Å |
| 22 | V | 56.7 | Low | 60.8 | Low | 126 Ų | 126 | 115.2 Ų | 115.2 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -93.5 | -5.9 | -178.3 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | S24 | V22-S24 PolarHBondContact O-N 2.88Š|
| 23 | S | 56.6 | Low | 61.1 | Low | 84 Ų | 84 | 116.6 Ų | 116.6 | 59% | 0.587 | 68% | 0.682 | S | S | * | * | trans | -89.8 | 74.6 | 169.8 | 60.5 | 0 | 0 | 0 | 0 | 110.1 | A20 P25 | A20-S23 PolarHBondContact O-OG 2.9Å; S23-P25 WeakPolarHBondContact O-CD 3.36Å | ||
| 24 | S | 62 | Low | 61.5 | Low | 95 Ų | 95 | 116 Ų | 116 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | trans | -83.6 | 100.7 | 158 | -55 | 0 | 0 | 0 | 0 | 107.5 | V22 G26 | V22-S24 PolarHBondContact O-N 2.88Å; S24-G26 PolarHBondContact O-N 2.93Å | ||
| 25 | P | 59.3 | Low | 62.4 | Low | 133 Ų | 133 | 113.9 Ų | 113.9 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -76.1 | 56.2 | 160 | 35.5 | -34.7 | 0 | 0 | 0 | 107.7 | S23 | S23-P25 WeakPolarHBondContact O-CD 3.36Š| ||
| 26 | G | 61 | Low | 63.9 | Low | 53 Ų | 53 | 114.4 Ų | 114.4 | 55% | 0.546 | 69% | 0.692 | S | S | . | * | trans | -116.2 | 24.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S24 S28 | S24-G26 PolarHBondContact O-N 2.93Å; G26-S28 PolarHBondContact O-N 2.86Å | ||
| 27 | W | 58 | Low | 65.6 | Low | 230 Ų | 230 | 112.9 Ų | 112.9 | 87% | 0.871 | 68% | 0.68 | S | S | * | * | trans | -86.7 | 78.4 | 160.4 | -69.3 | 2.1 | 0 | 0 | 0 | 106.8 | F29 | W27-F29 PolarHBondContact O-N 2.88Š| ||
| 28 | S | 64.4 | Low | 67.3 | Low | 109 Ų | 109 | 112.5 Ų | 112.5 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | trans | -64.5 | 87.8 | 154.1 | -64.9 | 0 | 0 | 0 | 0 | 105.9 | G26 S30 | G26-S28 PolarHBondContact O-N 2.86Å; S28-S30 PolarHBondContact O-N 3.31Å | ||
| 29 | F | 65.1 | Low | 69.2 | Low | 171 Ų | 171 | 112.9 Ų | 112.9 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | trans | -55.8 | 102.3 | 153.6 | -104.9 | -98 | 0 | 0 | 0 | 104.3 | W27 Q31 | W27-F29 PolarHBondContact O-N 2.88Å; F29-Q31 PolarHBondContact O-N 3.09Å | ||
| 30 | S | 63.8 | Low | 71.1 | Confident | 115 Ų | 115 | 109.4 Ų | 109.4 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | trans | -62 | 85 | 159.7 | -56.6 | 0 | 0 | 0 | 0 | 105 | S28 G32 | S28-S30 PolarHBondContact O-N 3.31Å; S30-G32 PolarHBondContact O-N 2.81Å | ||
| 31 | Q | 63.8 | Low | 73.1 | Confident | 179 Ų | 179 | 111.9 Ų | 111.9 | 84% | 0.836 | 67% | 0.671 | S | S | * | * | trans | -70.4 | 85.7 | 171.9 | -163.7 | 164.5 | 14.7 | 0 | 0 | 104.3 | F29 T33 | F29-Q31 PolarHBondContact O-N 3.09Å; Q31-T33 PolarHBondContact O-N 3.35Å | ||
| 32 | G | 65.1 | Low | 75.2 | Confident | 59 Ų | 59 | 108.9 Ų | 108.9 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 129.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | S30 | S30-G32 PolarHBondContact O-N 2.81Š|
| 33 | T | 71 | Confident | 77.2 | Confident | 133 Ų | 133 | 106.9 Ų | 106.9 | 82% | 0.816 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 127.9 | 173.6 | 30.4 | 0 | 0 | 0 | 0 | 108.5 | Q31 A35 | Q31-T33 PolarHBondContact O-N 3.35Å; T33-A35 PolarHBondContact O-N 2.76Å; T33-A35 VanDerWaalsContact O-N 3.1Å |
| 34 | P | 72.8 | Confident | 79.1 | Confident | 106 Ų | 106 | 109 Ų | 109 | 69% | 0.688 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 123.7 | 177.1 | -24.2 | 31.5 | 0 | 0 | 0 | 108.8 | T36 | P34-T36 PolarHBondContact O-N 3.31Å; P34-T36 VanDerWaalsContact O-N 3.08Å |
| 35 | A | 82.1 | Confident | 80.8 | Confident | 73 Ų | 73 | 107.5 Ų | 107.5 | 60% | 0.603 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 120.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | T33 F37 S68 | T33-A35 PolarHBondContact O-N 2.76Å; T33-A35 VanDerWaalsContact O-N 3.1Å; A35-F37 WeakPolarHBondContact O-CD1 3.36Å; A35-S68 WeakPolarHBondContact O-CB 3.41Å; A35-S68 PolarHBondContact O-OG 3.42Å |
| 36 | T | 94.8 | Very high | 82.6 | Confident | 119 Ų | 119 | 106.4 Ų | 106.4 | 73% | 0.73 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 125.4 | 172.8 | -53.5 | 0 | 0 | 0 | 0 | 107.9 | P34 S68 | P34-T36 PolarHBondContact O-N 3.31Å; P34-T36 VanDerWaalsContact O-N 3.08Å; T36-S68 WeakPolarHBondContact CA-O 3.47Å; T36-S68 VanDerWaalsContact CG2-O 3.27Å; T36-S68 WeakPolarHBondContact CG2-O 3.37Å |
| 37 | F | 95.4 | Very high | 84.2 | Confident | 87 Ų | 87 | 108 Ų | 108 | 38% | 0.382 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -152.4 | 148.9 | 179.1 | 64.4 | -84.5 | 0 | 0 | 0 | 110.3 | A35 V40 R66 S68 | A35-F37 WeakPolarHBondContact O-CD1 3.36Å; F37-V40 HydrophobicContact CD2-CG2 4.41Å; F37-R66 HydrophobicContact CE2-CB 3.93Å; F37-R66 WeakPolarHBondContact CE2-O 3.43Å; F37-R66 HydrophobicContact CZ-CB 4.16Å; F37-S68 PolarHBondContact N-O 2.83Å; F37-S68 VanDerWaalsContact N-O 3.09Å; F37-S68 PolarHBondContact O-N 2.72Å; F37-S68 VanDerWaalsContact O-N 3.09Å |
| 38 | G | 96.8 | Very high | 85.8 | Confident | 48 Ų | 48 | 100.9 Ų | 100.9 | 50% | 0.495 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -69.7 | 169.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V40 | G38-V40 PolarHBondContact O-N 2.85Å |
| 39 | P | 97.9 | Very high | 87.2 | Confident | 89 Ų | 89 | 103.8 Ų | 103.8 | 58% | 0.578 | 62% | 0.616 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -60 | 126.5 | -179.9 | -23.4 | 34.4 | 0 | 0 | 0 | 113.1 | A65 R66 A67 A71 | P39-A65 HydrophobicContact CB-CB 4.09Å; P39-R66 CarbonylContact C-O 3.38Å; P39-R66 WeakPolarHBondContact CA-O 3.07Å; P39-A67 HydrophobicContact CB-CB 4.31Å; P39-A67 HydrophobicContact CG-CB 4.1Å; P39-A71 HydrophobicContact CB-CB 4.17Å; P39-A71 HydrophobicContact CG-CB 4.03Å |
| 40 | V | 97.5 | Very high | 88.6 | Confident | 79 Ų | 79 | 98.9 Ų | 98.9 | 48% | 0.479 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119.7 | 120.1 | 172.4 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | F37 G38 E42 A65 R66 | F37-V40 HydrophobicContact CD2-CG2 4.41Å; G38-V40 PolarHBondContact O-N 2.85Å; V40-E42 PolarHBondContact O-N 3.26Å; V40-A65 CarbonylContact O-C 3.58Å; V40-A65 VanDerWaalsContact O-CA 3.22Å; V40-A65 WeakPolarHBondContact O-CA 3.45Å; V40-R66 PolarHBondContact N-O 3.31Å; V40-R66 PolarHBondContact O-N 3.31Å |
| 41 | F | 97.8 | Very high | 90 | Very high | 120 Ų | 120 | 96.4 Ų | 96.4 | 53% | 0.526 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.3 | 128.1 | 177.7 | -67.4 | -69.7 | 0 | 0 | 0 | 110.9 | Q44 A65 | F41-Q44 HydrophobicContact CB-CG 3.79Å; F41-Q44 HydrophobicContact CD1-CG 4.29Å; F41-Q44 HydrophobicContact CG-CG 3.98Å; F41-A65 HydrophobicContact CD1-CB 4.25Å |
| 42 | E | 97.4 | Very high | 91.1 | Very high | 78 Ų | 78 | 97.2 Ų | 97.2 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | -30.7 | 165.2 | -67.8 | -169.8 | 137.2 | 0 | 0 | 111.3 | V40 R64 R66 | V40-E42 PolarHBondContact O-N 3.26Å; E42-R64 PolarHBondContact N-O 2.88Å; E42-R64 IonicContact OE2-CZ 3.45Å; E42-R64 IonicContact OE2-NE 3.43Å; E42-R64 PolarHBondContact OE2-NE 2.85Å; E42-R64 IonicContact OE2-NH2 3.39Å; E42-R66 HydrophobicContact CG-CG 3.82Å; E42-R66 WeakPolarHBondContact OE1-CD 3.47Å; E42-R66 VanDerWaalsContact OE1-CG 3.25Å; E42-R66 WeakPolarHBondContact OE1-CG 3.01Å; E42-R66 IonicContact OE1-CZ 3.54Å; E42-R66 IonicContact OE1-NE 2.76Å; E42-R66 PolarHBondContact OE1-NE 3.17Å; E42-R66 VanDerWaalsContact OE1-NE 3.1Å; E42-R66 IonicContact OE1-NH1 3.1Å; E42-R66 PolarHBondContact OE1-NH1 3.29Å |
| 43 | E | 98 | Very high | 92.3 | Very high | 85 Ų | 85 | 102.3 Ų | 102.3 | 40% | 0.397 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.2 | 131.3 | 179 | -171.2 | 169.5 | -170.3 | 0 | 0 | 108.7 | A62 C63 R64 | E43-A62 HydrophobicContact CG-CB 4.09Å; E43-A62 WeakPolarHBondContact OE1-CB 3.34Å; E43-C63 WeakPolarHBondContact O-CA 3.08Å; E43-R64 HydrophobicContact CB-CB 3.92Å; E43-R64 PolarHBondContact N-O 3.44Å; E43-R64 VanDerWaalsContact N-O 3.09Å; E43-R64 PolarHBondContact O-N 3.06Å |
| 44 | Q | 97.9 | Very high | 93.2 | Very high | 129 Ų | 129 | 97.5 Ų | 97.5 | 60% | 0.603 | 56% | 0.559 | S | S | * | * | trans | -118.2 | 150.6 | -179 | -66.4 | -174.5 | -111.9 | 0 | 0 | 109.5 | F41 V46 A62 | F41-Q44 HydrophobicContact CB-CG 3.79Å; F41-Q44 HydrophobicContact CD1-CG 4.29Å; F41-Q44 HydrophobicContact CG-CG 3.98Å; Q44-V46 PolarHBondContact O-N 3.1Å; Q44-A62 CarbonylContact C-O 3.49Å | ||
| 45 | P | 97.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 97.4 Ų | 97.4 | 41% | 0.409 | 57% | 0.567 | S | S | . | * | trans | -60.1 | 134.2 | 173.3 | 20.3 | -29.4 | 0 | 0 | 0 | 110.6 | A62 W75 | P45-A62 WeakPolarHBondContact CA-O 3.45Å; P45-A62 VanDerWaalsContact N-O 3.13Å; P45-W75 HydrophobicContact CB-CH2 3.74Å; P45-W75 HydrophobicContact CB-CZ3 3.9Å; P45-W75 HydrophobicContact CG-CH2 3.91Å; P45-W75 HydrophobicContact CG-CZ3 3.96Å | ||
| 46 | V | 96.4 | Very high | 94.7 | Very high | 110 Ų | 110 | 100.2 Ų | 100.2 | 67% | 0.667 | 57% | 0.568 | S | S | * | * | trans | -109.7 | 152.9 | 173.2 | -64.9 | 0 | 0 | 0 | 0 | 109.9 | Q44 L48 | Q44-V46 PolarHBondContact O-N 3.1Å; V46-L48 PolarHBondContact O-N 2.68Å | ||
| 47 | G | 94.8 | Very high | 94.6 | Very high | 85 Ų | 85 | 99.1 Ų | 99.1 | 88% | 0.876 | 56% | 0.557 | S | S | * | * | trans | -63.9 | 131.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 48 | L | 92.5 | Very high | 94.6 | Very high | 81 Ų | 81 | 99 Ų | 99 | 42% | 0.424 | 56% | 0.558 | S | S | . | * | trans | -136.2 | 156.6 | 176.2 | 62.9 | 83.5 | 0 | 0 | 0 | 109.6 | V46 V59 L61 | V46-L48 PolarHBondContact O-N 2.68Å; L48-V59 HydrophobicContact CD1-CG2 3.48Å; L48-V59 VanDerWaalsContact CD1-CG2 3.48Å; L48-V59 HydrophobicContact CD2-CG2 3.96Å; L48-V59 HydrophobicContact CG-CG2 4.41Å; L48-L61 HydrophobicContact CD2-CD2 3.67Å; L48-L61 HydrophobicContact CG-CD2 4.14Å | ||
| 49 | L | 93.2 | Very high | 94.5 | Very high | 171 Ų | 171 | 97.7 Ų | 97.7 | 90% | 0.895 | 54% | 0.54 | S | S | * | . | trans | -111.7 | 128.5 | 172.3 | -63.7 | 175.3 | 0 | 0 | 0 | 107.8 | ||||
| 50 | F | 93.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 96.3 Ų | 96.3 | 29% | 0.294 | 53% | 0.531 | S | S | . | . | trans | -98 | 118.4 | 175.5 | -169.2 | -92 | 0 | 0 | 0 | 109 | E56 V59 P102 | F50-E56 HydrophobicContact CE2-CB 4.28Å; F50-E56 HydrophobicContact CZ-CB 4.16Å; F50-E56 WeakPolarHBondContact CZ-O 3.25Å; F50-V59 HydrophobicContact CD2-CB 3.73Å; F50-V59 HydrophobicContact CD2-CG2 3.98Å; F50-V59 HydrophobicContact CE2-CB 4.1Å; F50-P102 HydrophobicContact CD1-CB 4.26Å; F50-P102 HydrophobicContact CD1-CG 3.58Å; F50-P102 HydrophobicContact CD2-CG 4.07Å; F50-P102 HydrophobicContact CE1-CG 3.48Å; F50-P102 VanDerWaalsContact CE1-CG 3.48Å; F50-P102 HydrophobicContact CE2-CG 3.97Å; F50-P102 HydrophobicContact CG-CB 4.42Å; F50-P102 HydrophobicContact CG-CG 3.88Å; F50-P102 HydrophobicContact CZ-CG 3.69Å | ||
| 51 | P | 93.4 | Very high | 94.4 | Very high | 63 Ų | 63 | 94.4 Ų | 94.4 | 41% | 0.409 | 52% | 0.517 | S | S | . | . | trans | -67.4 | 133.1 | 178.5 | -17.9 | 31.1 | 0 | 0 | 0 | 111.4 | E53 S54 | P51-E53 PolarHBondContact O-N 3.09Å; P51-S54 WeakPolarHBondContact O-CB 3.22Å; P51-S54 PolarHBondContact O-N 3.09Å; P51-S54 VanDerWaalsContact O-N 3.11Å | ||
| 52 | E | 88 | Confident | 94.4 | Very high | 196 Ų | 196 | 89.9 Ų | 89.9 | 92% | 0.916 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.1 | 178.1 | -68.5 | -170.2 | 157.5 | 0 | 0 | 112 | S54 | E52-S54 VanDerWaalsContact C-N 3.27Å; E52-S54 PolarHBondContact O-N 3.08Å |
| 53 | E | 90.3 | Very high | 94.5 | Very high | 167 Ų | 167 | 86.7 Ų | 86.7 | 78% | 0.78 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 7.3 | 175.4 | 70.8 | -84.4 | -172.7 | 0 | 0 | 114.6 | P51 | P51-E53 PolarHBondContact O-N 3.09Š|
| 54 | S | 90.1 | Very high | 94.5 | Very high | 31 Ų | 31 | 88.8 Ų | 88.8 | 22% | 0.217 | 49% | 0.492 | C | S | . | . | trans | -63.3 | 140.7 | 177.4 | 176.9 | 0 | 0 | 0 | 0 | 111.2 | P51 E52 E56 | P51-S54 WeakPolarHBondContact O-CB 3.22Å; P51-S54 PolarHBondContact O-N 3.09Å; P51-S54 VanDerWaalsContact O-N 3.11Å; E52-S54 VanDerWaalsContact C-N 3.27Å; E52-S54 PolarHBondContact O-N 3.08Å; S54-E56 VanDerWaalsContact C-N 3.3Å; S54-E56 WeakPolarHBondContact OG-CB 2.94Å; S54-E56 PolarHBondContact OG-N 2.85Å; S54-E56 PolarHBondContact OG-OE2 3.1Å | ||
| 55 | A | 92.2 | Very high | 94.5 | Very high | 105 Ų | 105 | 83.2 Ų | 83.2 | 87% | 0.868 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -81.2 | -11.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 56 | E | 93.7 | Very high | 94.5 | Very high | 131 Ų | 131 | 87.1 Ų | 87.1 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | trans | -69.3 | 141.3 | 171.1 | -83.2 | 76.8 | -150.6 | 0 | 0 | 110.5 | F50 S54 | F50-E56 HydrophobicContact CE2-CB 4.28Å; F50-E56 HydrophobicContact CZ-CB 4.16Å; F50-E56 WeakPolarHBondContact CZ-O 3.25Å; S54-E56 VanDerWaalsContact C-N 3.3Å; S54-E56 WeakPolarHBondContact OG-CB 2.94Å; S54-E56 PolarHBondContact OG-N 2.85Å; S54-E56 PolarHBondContact OG-OE2 3.1Å | ||
| 57 | D | 92.7 | Very high | 94.5 | Very high | 96 Ų | 96 | 82.9 Ų | 82.9 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -103.1 | 9.1 | 178.1 | 68.8 | -24.6 | 0 | 0 | 0 | 112.3 | S101 | D57-S101 WeakPolarHBondContact O-CA 3.4Å; D57-S101 PolarHBondContact O-N 3.47Å |
| 58 | Q | 94.3 | Very high | 94.6 | Very high | 86 Ų | 86 | 80.4 Ų | 80.4 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 154.4 | -178.3 | 64.9 | 173.7 | 15.9 | 0 | 0 | 112.8 | V98 I99 M100 | Q58-V98 HydrophobicContact CB-CG1 4.36Å; Q58-I99 CarbonylContact C-O 3.59Å; Q58-I99 VanDerWaalsContact CA-O 3.25Å; Q58-I99 WeakPolarHBondContact CA-O 3.44Å; Q58-M100 HydrophobicContact CB-CE 4.18Å; Q58-M100 HydrophobicContact CB-SD 3.81Å |
| 59 | V | 95.8 | Very high | 94.7 | Very high | 19 Ų | 19 | 81.4 Ų | 81.4 | 12% | 0.115 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142.2 | 170.8 | 65.3 | 0 | 0 | 0 | 0 | 110.5 | L48 F50 V98 I99 P102 | L48-V59 HydrophobicContact CD1-CG2 3.48Å; L48-V59 VanDerWaalsContact CD1-CG2 3.48Å; L48-V59 HydrophobicContact CD2-CG2 3.96Å; L48-V59 HydrophobicContact CG-CG2 4.41Å; F50-V59 HydrophobicContact CD2-CB 3.73Å; F50-V59 HydrophobicContact CD2-CG2 3.98Å; F50-V59 HydrophobicContact CE2-CB 4.1Å; V59-V98 WeakPolarHBondContact O-CA 3.27Å; V59-I99 HydrophobicContact CG1-CB 3.76Å; V59-I99 HydrophobicContact CG1-CD1 4.26Å; V59-I99 HydrophobicContact CG1-CG1 4.28Å; V59-I99 PolarHBondContact N-O 3.23Å; V59-I99 PolarHBondContact O-N 2.79Å; V59-P102 HydrophobicContact CB-CG 4.37Å; V59-P102 HydrophobicContact CG1-CB 3.87Å; V59-P102 HydrophobicContact CG1-CG 4.01Å |
| 60 | T | 96.5 | Very high | 94.8 | Very high | 61 Ų | 61 | 78.9 Ų | 78.9 | 37% | 0.374 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124.1 | -178.2 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | N96 L97 V98 | T60-N96 HydrophobicContact CG2-CB 3.8Å; T60-L97 WeakPolarHBondContact CA-O 3.29Å; T60-V98 HydrophobicContact CG2-CG2 4.39Å |
| 61 | L | 97.5 | Very high | 95 | Very high | 39 Ų | 39 | 76.8 Ų | 76.8 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 108.2 | 168.5 | -64.2 | 168.2 | 0 | 0 | 0 | 108.3 | L48 W75 N96 L97 I99 | L48-L61 HydrophobicContact CD2-CD2 3.67Å; L48-L61 HydrophobicContact CG-CD2 4.14Å; L61-W75 HydrophobicContact CB-CH2 3.54Å; L61-W75 HydrophobicContact CB-CZ2 4.35Å; L61-W75 HydrophobicContact CB-CZ3 3.88Å; L61-W75 HydrophobicContact CD1-CZ3 4.16Å; L61-W75 WeakPolarHBondContact O-CH2 3.44Å; L61-W75 WeakPolarHBondContact O-CZ2 3.5Å; L61-N96 WeakPolarHBondContact O-CA 3.32Å; L61-L97 HydrophobicContact CB-CB 4.28Å; L61-L97 HydrophobicContact CD1-CD2 3.97Å; L61-L97 HydrophobicContact CD1-CG 4.49Å; L61-L97 PolarHBondContact N-O 2.74Å; L61-L97 PolarHBondContact O-N 3.36Å; L61-I99 HydrophobicContact CD1-CD1 4.31Å |
| 62 | A | 97.9 | Very high | 95.1 | Very high | 24 Ų | 24 | 80.2 Ų | 80.2 | 20% | 0.198 | 44% | 0.441 | C | S | . | . | trans | -74.4 | 140 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E43 Q44 P45 N96 | E43-A62 HydrophobicContact CG-CB 4.09Å; E43-A62 WeakPolarHBondContact OE1-CB 3.34Å; Q44-A62 CarbonylContact C-O 3.49Å; P45-A62 WeakPolarHBondContact CA-O 3.45Å; P45-A62 VanDerWaalsContact N-O 3.13Å; A62-N96 VanDerWaalsContact CA-OD1 3.31Å; A62-N96 WeakPolarHBondContact CA-OD1 3.13Å | ||
| 63 | C | 97.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 73.3 Ų | 73.3 | 7% | 0.074 | 41% | 0.407 | C | S | . | . | trans | -153.5 | 122.2 | 174 | -177.4 | 0 | 0 | 0 | 0 | 110 | E43 W75 G95 N96 | E43-C63 WeakPolarHBondContact O-CA 3.08Å; C63-W75 HydrophobicContact CB-CH2 4.11Å; C63-W75 HydrophobicContact CB-CZ2 3.55Å; C63-G95 CarbonylContact O-C 3.55Å; C63-N96 PolarHBondContact N-OD1 2.86Å; C63-N96 PolarHBondContact O-OD1 3.25Å | ||
| 64 | R | 98 | Very high | 95.9 | Very high | 129 Ų | 129 | 74 Ų | 74 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 130.3 | 177.4 | -169.4 | 169.6 | 72.3 | -153.9 | -12.6 | 110.4 | E42 E43 | E42-R64 PolarHBondContact N-O 2.88Å; E42-R64 IonicContact OE2-CZ 3.45Å; E42-R64 IonicContact OE2-NE 3.43Å; E42-R64 PolarHBondContact OE2-NE 2.85Å; E42-R64 IonicContact OE2-NH2 3.39Å; E43-R64 HydrophobicContact CB-CB 3.92Å; E43-R64 PolarHBondContact N-O 3.44Å; E43-R64 VanDerWaalsContact N-O 3.09Å; E43-R64 PolarHBondContact O-N 3.06Å |
| 65 | A | 98.1 | Very high | 96.2 | Very high | 12 Ų | 12 | 73.9 Ų | 73.9 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | P39 V40 F41 A71 Y73 | P39-A65 HydrophobicContact CB-CB 4.09Å; V40-A65 CarbonylContact O-C 3.58Å; V40-A65 VanDerWaalsContact O-CA 3.22Å; V40-A65 WeakPolarHBondContact O-CA 3.45Å; F41-A65 HydrophobicContact CD1-CB 4.25Å; A65-A71 HydrophobicContact CB-CB 4.34Å; A65-Y73 HydrophobicContact CB-CE1 4.31Å; A65-Y73 PolarHBondContact N-OH 2.85Å; A65-Y73 PolarHBondContact O-OH 3.21Å |
| 66 | R | 96.9 | Very high | 96.5 | Very high | 145 Ų | 145 | 75.3 Ų | 75.3 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133.4 | 165.5 | -76.8 | -169.8 | -55.5 | -140.3 | 12.1 | 109.3 | F37 P39 V40 E42 | F37-R66 HydrophobicContact CE2-CB 3.93Å; F37-R66 WeakPolarHBondContact CE2-O 3.43Å; F37-R66 HydrophobicContact CZ-CB 4.16Å; P39-R66 CarbonylContact C-O 3.38Å; P39-R66 WeakPolarHBondContact CA-O 3.07Å; V40-R66 PolarHBondContact N-O 3.31Å; V40-R66 PolarHBondContact O-N 3.31Å; E42-R66 HydrophobicContact CG-CG 3.82Å; E42-R66 WeakPolarHBondContact OE1-CD 3.47Å; E42-R66 VanDerWaalsContact OE1-CG 3.25Å; E42-R66 WeakPolarHBondContact OE1-CG 3.01Å; E42-R66 IonicContact OE1-CZ 3.54Å; E42-R66 IonicContact OE1-NE 2.76Å; E42-R66 PolarHBondContact OE1-NE 3.17Å; E42-R66 VanDerWaalsContact OE1-NE 3.1Å; E42-R66 IonicContact OE1-NH1 3.1Å; E42-R66 PolarHBondContact OE1-NH1 3.29Å |
| 67 | A | 97.2 | Very high | 96.5 | Very high | 22 Ų | 22 | 74.5 Ų | 74.5 | 18% | 0.182 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 157.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P39 P69 A71 | P39-A67 HydrophobicContact CB-CB 4.31Å; P39-A67 HydrophobicContact CG-CB 4.1Å; A67-P69 CarbonylContact C-O 3.14Å; A67-P69 WeakPolarHBondContact CB-O 3.42Å; A67-A71 HydrophobicContact CB-CB 3.89Å |
| 68 | S | 96.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 77.3 Ų | 77.3 | 23% | 0.231 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 108 | 170.3 | 175.9 | 0 | 0 | 0 | 0 | 108 | A35 T36 F37 | A35-S68 WeakPolarHBondContact O-CB 3.41Å; A35-S68 PolarHBondContact O-OG 3.42Å; T36-S68 WeakPolarHBondContact CA-O 3.47Å; T36-S68 VanDerWaalsContact CG2-O 3.27Å; T36-S68 WeakPolarHBondContact CG2-O 3.37Å; F37-S68 PolarHBondContact N-O 2.83Å; F37-S68 VanDerWaalsContact N-O 3.09Å; F37-S68 PolarHBondContact O-N 2.72Å; F37-S68 VanDerWaalsContact O-N 3.09Å |
| 69 | P | 95.8 | Very high | 96.8 | Very high | 101 Ų | 101 | 75.9 Ų | 75.9 | 66% | 0.656 | 41% | 0.405 | S | S | * | . | S | Bend | cis | -64.5 | 169.6 | -0.5 | -20.4 | 33.9 | 0 | 0 | 0 | 114.9 | A67 | A67-P69 CarbonylContact C-O 3.14Å; A67-P69 WeakPolarHBondContact CB-O 3.42Å |
| 70 | P | 95.6 | Very high | 96.8 | Very high | 119 Ų | 119 | 79.8 Ų | 79.8 | 77% | 0.773 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 141 | -178.7 | -26.7 | 35.3 | 0 | 0 | 0 | 113.9 | ||
| 71 | A | 96.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 81.9 Ų | 81.9 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 151.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P39 A65 A67 Y73 | P39-A71 HydrophobicContact CB-CB 4.17Å; P39-A71 HydrophobicContact CG-CB 4.03Å; A65-A71 HydrophobicContact CB-CB 4.34Å; A67-A71 HydrophobicContact CB-CB 3.89Å; A71-Y73 HydrophobicContact CB-CE2 4.23Å |
| 72 | T | 96.4 | Very high | 96.7 | Very high | 136 Ų | 136 | 81.6 Ų | 81.6 | 83% | 0.834 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 148.8 | 165.8 | 57.3 | 0 | 0 | 0 | 0 | 109.8 | ||
| 73 | Y | 96.8 | Very high | 96.3 | Very high | 51 Ų | 51 | 85.5 Ų | 85.5 | 20% | 0.2 | 45% | 0.45 | C | S | . | . | trans | -119.8 | 143.1 | -172.2 | -64.1 | -98.1 | 0 | 0 | 0 | 110.7 | A65 A71 G95 | A65-Y73 HydrophobicContact CB-CE1 4.31Å; A65-Y73 PolarHBondContact N-OH 2.85Å; A65-Y73 PolarHBondContact O-OH 3.21Å; A71-Y73 HydrophobicContact CB-CE2 4.23Å; Y73-G95 VanDerWaalsContact CD1-CA 3.43Å | ||
| 74 | R | 96.6 | Very high | 96.1 | Very high | 181 Ų | 181 | 86.9 Ų | 86.9 | 68% | 0.683 | 46% | 0.457 | S | S | * | . | trans | -142.9 | 143.6 | 174.5 | -67.6 | -173.2 | -78.2 | 171.5 | -3.3 | 108.7 | E81 | R74-E81 WeakPolarHBondContact CD-OE1 3.24Å; R74-E81 IonicContact NH1-OE1 2.68Å; R74-E81 PolarHBondContact NH1-OE1 2.93Å; R74-E81 IonicContact NH1-OE2 3.1Å; R74-E81 PolarHBondContact NH1-OE2 3.43Å | ||
| 75 | W | 97.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 86.3 Ų | 86.3 | 11% | 0.106 | 46% | 0.459 | C | S | . | . | trans | -113.5 | 146.6 | 178.4 | -74.7 | 83.1 | 0 | 0 | 0 | 110.9 | P45 L61 C63 M82 L84 G95 L97 | P45-W75 HydrophobicContact CB-CH2 3.74Å; P45-W75 HydrophobicContact CB-CZ3 3.9Å; P45-W75 HydrophobicContact CG-CH2 3.91Å; P45-W75 HydrophobicContact CG-CZ3 3.96Å; L61-W75 HydrophobicContact CB-CH2 3.54Å; L61-W75 HydrophobicContact CB-CZ2 4.35Å; L61-W75 HydrophobicContact CB-CZ3 3.88Å; L61-W75 HydrophobicContact CD1-CZ3 4.16Å; L61-W75 WeakPolarHBondContact O-CH2 3.44Å; L61-W75 WeakPolarHBondContact O-CZ2 3.5Å; C63-W75 HydrophobicContact CB-CH2 4.11Å; C63-W75 HydrophobicContact CB-CZ2 3.55Å; W75-M82 HydrophobicContact CB-SD 3.91Å; W75-M82 PolarHBondContact O-N 3.47Å; W75-L84 HydrophobicContact CB-CD1 4.41Å; W75-G95 WeakPolarHBondContact CZ2-O 3.32Å; W75-G95 PolarHBondContact NE1-O 3.45Å; W75-L97 HydrophobicContact CB-CD2 4.21Å; W75-L97 HydrophobicContact CD2-CB 3.48Å; W75-L97 VanDerWaalsContact CD2-CB 3.48Å; W75-L97 HydrophobicContact CD2-CD2 3.84Å; W75-L97 HydrophobicContact CD2-CG 4.26Å; W75-L97 HydrophobicContact CE3-CB 3.91Å; W75-L97 HydrophobicContact CE3-CD2 3.69Å; W75-L97 HydrophobicContact CE3-CG 4.47Å; W75-L97 HydrophobicContact CG-CB 3.86Å; W75-L97 HydrophobicContact CG-CD2 4.06Å; W75-L97 HydrophobicContact CG-CG 4.43Å; W75-L97 HydrophobicContact CH2-CB 4.08Å; W75-L97 HydrophobicContact CZ2-CB 3.69Å; W75-L97 HydrophobicContact CZ3-CB 4.19Å; W75-L97 HydrophobicContact CZ3-CD2 4.3Å | ||
| 76 | K | 97.3 | Very high | 95.2 | Very high | 135 Ų | 135 | 92.1 Ų | 92.1 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.8 | 174.8 | -66.7 | -176 | 171 | -166 | 0 | 109.3 | T80 | K76-T80 CarbonylContact C-O 3.47Å; K76-T80 WeakPolarHBondContact CA-O 3.25Å; K76-T80 WeakPolarHBondContact CB-O 3.44Å |
| 77 | M | 95.3 | Very high | 94.7 | Very high | 114 Ų | 114 | 89.1 Ų | 89.1 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 122.9 | 169.4 | -171.7 | 177.9 | -173.3 | 0 | 0 | 107.9 | G79 T80 M82 | M77-G79 PolarHBondContact O-N 3.48Å; M77-G79 VanDerWaalsContact O-N 3.14Å; M77-T80 PolarHBondContact N-O 3.5Å; M77-T80 PolarHBondContact O-N 3.32Å; M77-M82 HydrophobicContact CB-CG 3.95Å; M77-M82 HydrophobicContact CB-SD 3.97Å |
| 78 | N | 95.8 | Very high | 94.4 | Very high | 155 Ų | 155 | 89.8 Ų | 89.8 | 83% | 0.829 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 35.9 | -177.9 | -59.5 | -27 | 0 | 0 | 0 | 113.7 | T80 | N78-T80 VanDerWaalsContact C-N 3.3Å; N78-T80 PolarHBondContact O-N 3.02Å |
| 79 | G | 96.4 | Very high | 94.3 | Very high | 57 Ų | 57 | 93.6 Ų | 93.6 | 59% | 0.588 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.7 | -11.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | M77 | M77-G79 PolarHBondContact O-N 3.48Å; M77-G79 VanDerWaalsContact O-N 3.14Å |
| 80 | T | 96.8 | Very high | 94.3 | Very high | 100 Ų | 100 | 91 Ų | 91 | 61% | 0.613 | 50% | 0.502 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 133.8 | 179.5 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | K76 M77 N78 M82 | K76-T80 CarbonylContact C-O 3.47Å; K76-T80 WeakPolarHBondContact CA-O 3.25Å; K76-T80 WeakPolarHBondContact CB-O 3.44Å; M77-T80 PolarHBondContact N-O 3.5Å; M77-T80 PolarHBondContact O-N 3.32Å; N78-T80 VanDerWaalsContact C-N 3.3Å; N78-T80 PolarHBondContact O-N 3.02Å; T80-M82 PolarHBondContact O-N 3.4Å |
| 81 | E | 96.2 | Very high | 94.3 | Very high | 105 Ų | 105 | 88.5 Ų | 88.5 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 129.6 | 176.6 | -167.8 | 162.3 | 166.9 | 0 | 0 | 111 | R74 | R74-E81 WeakPolarHBondContact CD-OE1 3.24Å; R74-E81 IonicContact NH1-OE1 2.68Å; R74-E81 PolarHBondContact NH1-OE1 2.93Å; R74-E81 IonicContact NH1-OE2 3.1Å; R74-E81 PolarHBondContact NH1-OE2 3.43Å |
| 82 | M | 95.1 | Very high | 94.2 | Very high | 33 Ų | 33 | 91 Ų | 91 | 16% | 0.163 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -83.5 | 136.5 | -179.4 | -63 | 176.9 | 72.1 | 0 | 0 | 110.1 | W75 M77 T80 L84 H90 L97 | W75-M82 HydrophobicContact CB-SD 3.91Å; W75-M82 PolarHBondContact O-N 3.47Å; M77-M82 HydrophobicContact CB-CG 3.95Å; M77-M82 HydrophobicContact CB-SD 3.97Å; T80-M82 PolarHBondContact O-N 3.4Å; M82-L84 HydrophobicContact CB-CD2 4.03Å; M82-L84 HydrophobicContact CB-CG 4.35Å; M82-L84 HydrophobicContact CE-CD2 4.31Å; M82-L84 PolarHBondContact O-N 3.32Å; M82-H90 HydrophobicContact CE-CB 4.04Å; M82-H90 VanDerWaalsContact CE-CD2 3.45Å; M82-H90 WeakPolarHBondContact CE-CD2 3.39Å; M82-L97 HydrophobicContact CE-CD1 4.29Å; M82-L97 HydrophobicContact CE-CD2 4.08Å; M82-L97 HydrophobicContact SD-CD2 3.87Å |
| 83 | N | 90.4 | Very high | 94.1 | Very high | 106 Ų | 106 | 89.1 Ų | 89.1 | 57% | 0.567 | 47% | 0.473 | S | S | * | . | trans | -85.3 | 110.2 | 169.4 | -166.9 | 18.7 | 0 | 0 | 0 | 109.8 | E85 | N83-E85 PolarHBondContact ND2-OE1 2.99Å; N83-E85 PolarHBondContact O-N 3.02Å | ||
| 84 | L | 93.6 | Very high | 94 | Very high | 41 Ų | 41 | 90.3 Ų | 90.3 | 22% | 0.215 | 50% | 0.501 | C | S | . | . | trans | -102.8 | 55.5 | -175.7 | -56.7 | 178.5 | 0 | 0 | 0 | 110.5 | W75 M82 H90 L92 L97 | W75-L84 HydrophobicContact CB-CD1 4.41Å; M82-L84 HydrophobicContact CB-CD2 4.03Å; M82-L84 HydrophobicContact CB-CG 4.35Å; M82-L84 HydrophobicContact CE-CD2 4.31Å; M82-L84 PolarHBondContact O-N 3.32Å; L84-H90 HydrophobicContact CD2-CB 3.51Å; L84-L92 HydrophobicContact CD1-CB 3.75Å; L84-L92 HydrophobicContact CD1-CD1 4.31Å; L84-L92 HydrophobicContact CD1-CG 4.42Å; L84-L97 HydrophobicContact CD2-CD1 3.9Å | ||
| 85 | E | 89.8 | Confident | 94 | Very high | 116 Ų | 116 | 81.8 Ų | 81.8 | 54% | 0.542 | 47% | 0.469 | S | S | . | . | trans | -68.4 | 149.2 | 179.6 | -82.4 | 173.4 | -171.9 | 0 | 0 | 112.6 | N83 G87 S88 | N83-E85 PolarHBondContact ND2-OE1 2.99Å; N83-E85 PolarHBondContact O-N 3.02Å; E85-G87 PolarHBondContact O-N 3.39Å; E85-S88 VanDerWaalsContact O-CB 3.23Å; E85-S88 WeakPolarHBondContact O-CB 3.23Å; E85-S88 PolarHBondContact O-N 2.96Å; E85-S88 VanDerWaalsContact O-N 3.08Å | ||
| 86 | P | 87.1 | Confident | 94 | Very high | 135 Ų | 135 | 82.9 Ų | 82.9 | 88% | 0.877 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 129.8 | 170.2 | -22.7 | 33.2 | 0 | 0 | 0 | 111.4 | ||
| 87 | G | 85 | Confident | 94 | Very high | 81 Ų | 81 | 76.7 Ų | 76.7 | 84% | 0.835 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | -4.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E85 | E85-G87 PolarHBondContact O-N 3.39Š|
| 88 | S | 91.8 | Very high | 94 | Very high | 36 Ų | 36 | 71.5 Ų | 71.5 | 25% | 0.252 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -69.2 | 155.4 | 167 | -179.8 | 0 | 0 | 0 | 0 | 111.3 | E85 H90 | E85-S88 VanDerWaalsContact O-CB 3.23Å; E85-S88 WeakPolarHBondContact O-CB 3.23Å; E85-S88 PolarHBondContact O-N 2.96Å; E85-S88 VanDerWaalsContact O-N 3.08Å; S88-H90 PolarHBondContact O-N 2.96Å; S88-H90 PolarHBondContact OG-N 2.94Å |
| 89 | R | 93.8 | Very high | 94 | Very high | 114 Ų | 114 | 65.5 Ų | 65.5 | 43% | 0.43 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -67 | -13.9 | 168.6 | 72.9 | -178.5 | -67.9 | -158.4 | -10.6 | 113.1 | I99 M100 S101 P102 | R89-I99 WeakPolarHBondContact O-CA 3.3Å; R89-M100 HydrophobicContact CB-CB 4.39Å; R89-M100 PolarHBondContact NE-O 3.46Å; R89-M100 PolarHBondContact NH2-O 3.37Å; R89-M100 PolarHBondContact O-N 3.5Å; R89-S101 PolarHBondContact NH2-O 3.22Å; R89-P102 VanDerWaalsContact NH2-C 3.33Å; R89-P102 PolarHBondContact NH2-OXT 3.26Å |
| 90 | H | 95.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 64.9 Ų | 64.9 | 21% | 0.213 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.2 | 176.5 | -52.4 | 96.5 | 0 | 0 | 0 | 109.4 | M82 L84 S88 L97 V98 | M82-H90 HydrophobicContact CE-CB 4.04Å; M82-H90 VanDerWaalsContact CE-CD2 3.45Å; M82-H90 WeakPolarHBondContact CE-CD2 3.39Å; L84-H90 HydrophobicContact CD2-CB 3.51Å; S88-H90 PolarHBondContact O-N 2.96Å; S88-H90 PolarHBondContact OG-N 2.94Å; H90-L97 HydrophobicContact CB-CD1 4.15Å; H90-V98 WeakPolarHBondContact CA-O 3.4Å |
| 91 | Q | 95.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 64.4 Ų | 64.4 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 143.8 | -175.3 | -58.5 | -177.9 | 22.1 | 0 | 0 | 111.4 | M93 V98 | Q91-M93 VanDerWaalsContact OE1-CE 3.23Å; Q91-V98 HydrophobicContact CB-CB 4.39Å; Q91-V98 PolarHBondContact N-O 3.15Å; Q91-V98 PolarHBondContact O-N 3.32Å |
| 92 | L | 95.9 | Very high | 93.1 | Very high | 74 Ų | 74 | 63.4 Ų | 63.4 | 39% | 0.387 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 115 | 174.1 | -173.5 | 61.5 | 0 | 0 | 0 | 110.4 | L84 | L84-L92 HydrophobicContact CD1-CB 3.75Å; L84-L92 HydrophobicContact CD1-CD1 4.31Å; L84-L92 HydrophobicContact CD1-CG 4.42Å |
| 93 | M | 94.8 | Very high | 93 | Very high | 98 Ų | 98 | 65 Ų | 65 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 101.5 | 178.6 | -64.6 | -161.4 | -175.9 | 0 | 0 | 111.2 | Q91 G95 N96 V98 | Q91-M93 VanDerWaalsContact OE1-CE 3.23Å; M93-G95 PolarHBondContact O-N 3.45Å; M93-N96 PolarHBondContact N-O 2.94Å; M93-N96 WeakPolarHBondContact O-CB 3.35Å; M93-N96 PolarHBondContact O-N 2.88Å; M93-V98 HydrophobicContact CB-CG2 4.24Å; M93-V98 HydrophobicContact CG-CG2 4.01Å; M93-V98 HydrophobicContact SD-CG2 4.06Å |
| 94 | G | 93.4 | Very high | 93.1 | Very high | 76 Ų | 76 | 62.8 Ų | 62.8 | 78% | 0.784 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 19.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 95 | G | 96.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 109.2 | -25.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | C63 Y73 W75 M93 | C63-G95 CarbonylContact O-C 3.55Å; Y73-G95 VanDerWaalsContact CD1-CA 3.43Å; W75-G95 WeakPolarHBondContact CZ2-O 3.32Å; W75-G95 PolarHBondContact NE1-O 3.45Å; M93-G95 PolarHBondContact O-N 3.45Å |
| 96 | N | 97.4 | Very high | 93.2 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 27% | 0.267 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 141.1 | 178 | -58.4 | -23.3 | 0 | 0 | 0 | 111.3 | T60 L61 A62 C63 M93 | T60-N96 HydrophobicContact CG2-CB 3.8Å; L61-N96 WeakPolarHBondContact O-CA 3.32Å; A62-N96 VanDerWaalsContact CA-OD1 3.31Å; A62-N96 WeakPolarHBondContact CA-OD1 3.13Å; C63-N96 PolarHBondContact N-OD1 2.86Å; C63-N96 PolarHBondContact O-OD1 3.25Å; M93-N96 PolarHBondContact N-O 2.94Å; M93-N96 WeakPolarHBondContact O-CB 3.35Å; M93-N96 PolarHBondContact O-N 2.88Å |
| 97 | L | 97.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 117.5 | 168.3 | 170.7 | 62.3 | 0 | 0 | 0 | 108.8 | T60 L61 W75 M82 L84 H90 I99 | T60-L97 WeakPolarHBondContact CA-O 3.29Å; L61-L97 HydrophobicContact CB-CB 4.28Å; L61-L97 HydrophobicContact CD1-CD2 3.97Å; L61-L97 HydrophobicContact CD1-CG 4.49Å; L61-L97 PolarHBondContact N-O 2.74Å; L61-L97 PolarHBondContact O-N 3.36Å; W75-L97 HydrophobicContact CB-CD2 4.21Å; W75-L97 HydrophobicContact CD2-CB 3.48Å; W75-L97 VanDerWaalsContact CD2-CB 3.48Å; W75-L97 HydrophobicContact CD2-CD2 3.84Å; W75-L97 HydrophobicContact CD2-CG 4.26Å; W75-L97 HydrophobicContact CE3-CB 3.91Å; W75-L97 HydrophobicContact CE3-CD2 3.69Å; W75-L97 HydrophobicContact CE3-CG 4.47Å; W75-L97 HydrophobicContact CG-CB 3.86Å; W75-L97 HydrophobicContact CG-CD2 4.06Å; W75-L97 HydrophobicContact CG-CG 4.43Å; W75-L97 HydrophobicContact CH2-CB 4.08Å; W75-L97 HydrophobicContact CZ2-CB 3.69Å; W75-L97 HydrophobicContact CZ3-CB 4.19Å; W75-L97 HydrophobicContact CZ3-CD2 4.3Å; M82-L97 HydrophobicContact CE-CD1 4.29Å; M82-L97 HydrophobicContact CE-CD2 4.08Å; M82-L97 HydrophobicContact SD-CD2 3.87Å; L84-L97 HydrophobicContact CD2-CD1 3.9Å; H90-L97 HydrophobicContact CB-CD1 4.15Å; L97-I99 HydrophobicContact CD2-CD1 4.46Å; L97-I99 HydrophobicContact CD2-CG1 4.49Å; L97-I99 HydrophobicContact CG-CG1 4.11Å |
| 98 | V | 96.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.5 | 174 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | Q58 V59 T60 H90 Q91 M93 M100 | Q58-V98 HydrophobicContact CB-CG1 4.36Å; V59-V98 WeakPolarHBondContact O-CA 3.27Å; T60-V98 HydrophobicContact CG2-CG2 4.39Å; H90-V98 WeakPolarHBondContact CA-O 3.4Å; Q91-V98 HydrophobicContact CB-CB 4.39Å; Q91-V98 PolarHBondContact N-O 3.15Å; Q91-V98 PolarHBondContact O-N 3.32Å; M93-V98 HydrophobicContact CB-CG2 4.24Å; M93-V98 HydrophobicContact CG-CG2 4.01Å; M93-V98 HydrophobicContact SD-CG2 4.06Å; V98-M100 HydrophobicContact CG1-SD 4.01Å |
| 99 | I | 95.5 | Very high | 94.4 | Very high | 30 Ų | 30 | 56 Ų | 56 | 15% | 0.154 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.6 | 177.6 | -49.5 | 178.8 | 0 | 0 | 0 | 107.5 | Q58 V59 L61 R89 L97 P102 | Q58-I99 CarbonylContact C-O 3.59Å; Q58-I99 VanDerWaalsContact CA-O 3.25Å; Q58-I99 WeakPolarHBondContact CA-O 3.44Å; V59-I99 HydrophobicContact CG1-CB 3.76Å; V59-I99 HydrophobicContact CG1-CD1 4.26Å; V59-I99 HydrophobicContact CG1-CG1 4.28Å; V59-I99 PolarHBondContact N-O 3.23Å; V59-I99 PolarHBondContact O-N 2.79Å; L61-I99 HydrophobicContact CD1-CD1 4.31Å; R89-I99 WeakPolarHBondContact O-CA 3.3Å; L97-I99 HydrophobicContact CD2-CD1 4.46Å; L97-I99 HydrophobicContact CD2-CG1 4.49Å; L97-I99 HydrophobicContact CG-CG1 4.11Å; I99-P102 HydrophobicContact CG2-CB 4.34Å |
| 100 | M | 94.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 22% | 0.217 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 141.9 | 176.4 | -55.8 | -59 | -59.1 | 0 | 0 | 110.5 | Q58 R89 V98 | Q58-M100 HydrophobicContact CB-CE 4.18Å; Q58-M100 HydrophobicContact CB-SD 3.81Å; R89-M100 HydrophobicContact CB-CB 4.39Å; R89-M100 PolarHBondContact NE-O 3.46Å; R89-M100 PolarHBondContact NH2-O 3.37Å; R89-M100 PolarHBondContact O-N 3.5Å; V98-M100 HydrophobicContact CG1-SD 4.01Å |
| 101 | S | 90.7 | Very high | 94.3 | Very high | 89 Ų | 89 | 52 Ų | 52 | 62% | 0.622 | 32% | 0.321 | S | S | * | . | trans | 42.1 | 57.1 | -177.8 | -49.6 | 0 | 0 | 0 | 0 | 111.7 | D57 R89 | D57-S101 WeakPolarHBondContact O-CA 3.4Å; D57-S101 PolarHBondContact O-N 3.47Å; R89-S101 PolarHBondContact NH2-O 3.22Å | ||
| 102 | P | 84.1 | Confident | 94.2 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | trans | -49.3 | 0 | -170.6 | 18.2 | -30.7 | 0 | 0 | 0 | 113.7 | F50 V59 R89 I99 | F50-P102 HydrophobicContact CD1-CB 4.26Å; F50-P102 HydrophobicContact CD1-CG 3.58Å; F50-P102 HydrophobicContact CD2-CG 4.07Å; F50-P102 HydrophobicContact CE1-CG 3.48Å; F50-P102 VanDerWaalsContact CE1-CG 3.48Å; F50-P102 HydrophobicContact CE2-CG 3.97Å; F50-P102 HydrophobicContact CG-CB 4.42Å; F50-P102 HydrophobicContact CG-CG 3.88Å; F50-P102 HydrophobicContact CZ-CG 3.69Å; V59-P102 HydrophobicContact CB-CG 4.37Å; V59-P102 HydrophobicContact CG1-CB 3.87Å; V59-P102 HydrophobicContact CG1-CG 4.01Å; R89-P102 VanDerWaalsContact NH2-C 3.33Å; R89-P102 PolarHBondContact NH2-OXT 3.26Å; I99-P102 HydrophobicContact CG2-CB 4.34Å |
Retrieved 102 of 102 residues in 30.7 ms
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