| 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 | 44.5 | Very low | 46.8 | Very low | 248 Ų | 248 | 140.1 Ų | 140.1 | 100% | 1.222 | 69% | 0.694 | S | S | * | * | 0 | 80.4 | 0 | -148.9 | 136.2 | 103.1 | 0 | 0 | 106.6 | |||||
| 2 | N | 44.9 | Very low | 47.1 | Very low | 138 Ų | 138 | 143.1 Ų | 143.1 | 74% | 0.738 | 69% | 0.694 | S | S | * | * | trans | -150.6 | 66.8 | -160.8 | -156.5 | 23.2 | 0 | 0 | 0 | 108.5 | ||||
| 3 | K | 49.1 | Very low | 48.1 | Very low | 180 Ų | 180 | 140 Ų | 140 | 78% | 0.783 | 68% | 0.678 | S | S | * | * | trans | -141.3 | 5.2 | -172.8 | -87.4 | -168.6 | 175 | -175.8 | 0 | 115.7 | ||||
| 4 | N | 49.3 | Very low | 49.1 | Very low | 137 Ų | 137 | 138.5 Ų | 138.5 | 73% | 0.733 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -110.3 | -2.5 | -177.5 | -91.3 | 7.7 | 0 | 0 | 0 | 115.1 | ||
| 5 | T | 48.2 | Very low | 49.9 | Very low | 91 Ų | 91 | 137.5 Ų | 137.5 | 56% | 0.558 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -84.6 | -23.6 | 174.2 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | N7 H9 | T5-N7 PolarHBondContact O-N 2.76Å; T5-H9 PolarHBondContact O-N 3.12Å |
| 6 | D | 46.6 | Very low | 51.1 | Low | 102 Ų | 102 | 138 Ų | 138 | 55% | 0.545 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -77.1 | -27.9 | -170.8 | -56.5 | -14.3 | 0 | 0 | 0 | 112.4 | H9 Y10 | D6-H9 PolarHBondContact O-N 3.29Å; D6-Y10 PolarHBondContact O-N 2.7Å; D6-Y10 VanDerWaalsContact O-N 3.08Å |
| 7 | N | 48.6 | Very low | 52.3 | Low | 128 Ų | 128 | 135.9 Ų | 135.9 | 68% | 0.684 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77.4 | -29 | 179.6 | -78.4 | -16.5 | 0 | 0 | 0 | 114 | T5 G11 | T5-N7 PolarHBondContact O-N 2.76Å; N7-G11 PolarHBondContact O-N 3.04Å |
| 8 | Y | 40.3 | Very low | 53.2 | Low | 199 Ų | 199 | 135.6 Ų | 135.6 | 78% | 0.78 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.2 | -32.3 | 172.5 | -81 | -81.5 | 0 | 0 | 0 | 111.4 | Y12 | Y8-Y12 PolarHBondContact O-N 2.56Å |
| 9 | H | 45.7 | Very low | 54 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 56% | 0.556 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.2 | -35.2 | 177.6 | -139.5 | -40.6 | 0 | 0 | 0 | 112.2 | T5 D6 Y12 E13 | T5-H9 PolarHBondContact O-N 3.12Å; D6-H9 PolarHBondContact O-N 3.29Å; H9-Y12 PolarHBondContact O-N 2.77Å; H9-E13 IonicContact CE1-OE1 3.58Å; H9-E13 IonicContact ND1-OE1 2.57Å; H9-E13 PolarHBondContact O-N 2.94Å |
| 10 | Y | 47.8 | Very low | 55.1 | Low | 157 Ų | 157 | 131.5 Ų | 131.5 | 62% | 0.616 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.2 | -37.8 | 178.4 | -137.3 | -94.5 | 0 | 0 | 0 | 113.2 | D6 Q14 | D6-Y10 PolarHBondContact O-N 2.7Å; D6-Y10 VanDerWaalsContact O-N 3.08Å; Y10-Q14 PolarHBondContact O-N 2.89Å; Y10-Q14 VanDerWaalsContact O-N 3.12Å |
| 11 | G | 50.3 | Low | 56 | Low | 41 Ų | 41 | 129 Ų | 129 | 42% | 0.423 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.7 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | N7 E15 | N7-G11 PolarHBondContact O-N 3.04Å; G11-E15 PolarHBondContact O-N 2.95Å |
| 12 | Y | 49.6 | Very low | 57.3 | Low | 176 Ų | 176 | 121.6 Ų | 121.6 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.6 | -36.4 | 177.9 | -126.4 | -92.6 | 0 | 0 | 0 | 112.4 | Y8 H9 K16 | Y8-Y12 PolarHBondContact O-N 2.56Å; H9-Y12 PolarHBondContact O-N 2.77Å; Y12-K16 WeakPolarHBondContact O-CB 3.19Å; Y12-K16 PolarHBondContact O-N 3.26Å |
| 13 | E | 60.5 | Low | 58.5 | Low | 103 Ų | 103 | 118 Ų | 118 | 48% | 0.481 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.7 | -40 | 175.9 | -77.7 | -176.5 | 166 | 0 | 0 | 112.2 | H9 E15 K16 D17 | H9-E13 IonicContact CE1-OE1 3.58Å; H9-E13 IonicContact ND1-OE1 2.57Å; H9-E13 PolarHBondContact O-N 2.94Å; E13-E15 PolarHBondContact O-N 3.01Å; E13-K16 PolarHBondContact O-N 2.75Å; E13-D17 PolarHBondContact O-N 3.12Å |
| 14 | Q | 61.7 | Low | 59.5 | Low | 119 Ų | 119 | 113.8 Ų | 113.8 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64 | -38.5 | 175.4 | -109 | -178.7 | -12.7 | 0 | 0 | 113.2 | Y10 Q18 | Y10-Q14 PolarHBondContact O-N 2.89Å; Y10-Q14 VanDerWaalsContact O-N 3.12Å; Q14-Q18 WeakPolarHBondContact O-CG 3.47Å; Q14-Q18 PolarHBondContact O-N 3.47Å; Q14-Q18 VanDerWaalsContact O-N 3.12Å |
| 15 | E | 62.3 | Low | 60.5 | Low | 124 Ų | 124 | 114 Ų | 114 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.1 | -38.7 | 175.6 | -167.8 | 172.6 | -177.4 | 0 | 0 | 111 | G11 E13 Q18 V19 | G11-E15 PolarHBondContact O-N 2.95Å; E13-E15 PolarHBondContact O-N 3.01Å; E15-Q18 PolarHBondContact O-N 2.72Å; E15-V19 WeakPolarHBondContact O-CB 3.4Å; E15-V19 VanDerWaalsContact O-CG2 3.25Å; E15-V19 WeakPolarHBondContact O-CG2 3Å; E15-V19 PolarHBondContact O-N 3.4Å |
| 16 | K | 68 | Low | 61.5 | Low | 145 Ų | 145 | 114.6 Ų | 114.6 | 63% | 0.63 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.7 | -43.7 | 176.8 | -155.4 | -178.8 | -177.9 | -169.5 | 0 | 112.3 | Y12 E13 Q18 V19 E20 | Y12-K16 WeakPolarHBondContact O-CB 3.19Å; Y12-K16 PolarHBondContact O-N 3.26Å; E13-K16 PolarHBondContact O-N 2.75Å; K16-Q18 VanDerWaalsContact C-N 3.35Å; K16-Q18 PolarHBondContact O-N 2.94Å; K16-V19 PolarHBondContact O-N 3.34Å; K16-E20 WeakPolarHBondContact O-CB 3.45Å; K16-E20 PolarHBondContact O-N 2.86Å |
| 17 | D | 71.3 | Confident | 62.3 | Low | 103 Ų | 103 | 113.9 Ų | 113.9 | 55% | 0.551 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.3 | -37.7 | 176.2 | -78.3 | -10.7 | 0 | 0 | 0 | 112.1 | E13 T21 | E13-D17 PolarHBondContact O-N 3.12Å; D17-T21 VanDerWaalsContact O-CB 3.31Å; D17-T21 WeakPolarHBondContact O-CB 3.25Å; D17-T21 PolarHBondContact O-N 2.91Å; D17-T21 PolarHBondContact O-OG1 3.21Å |
| 18 | Q | 68.3 | Low | 63.2 | Low | 130 Ų | 130 | 112 Ų | 112 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67.5 | -44.2 | 174.5 | -79.6 | -171.6 | 2.9 | 0 | 0 | 112 | Q14 E15 K16 T21 I22 | Q14-Q18 WeakPolarHBondContact O-CG 3.47Å; Q14-Q18 PolarHBondContact O-N 3.47Å; Q14-Q18 VanDerWaalsContact O-N 3.12Å; E15-Q18 PolarHBondContact O-N 2.72Å; K16-Q18 VanDerWaalsContact C-N 3.35Å; K16-Q18 PolarHBondContact O-N 2.94Å; Q18-T21 PolarHBondContact O-N 3.46Å; Q18-I22 VanDerWaalsContact O-CG1 3.27Å; Q18-I22 WeakPolarHBondContact O-CG1 3.31Å; Q18-I22 PolarHBondContact O-N 3.31Å |
| 19 | V | 69.8 | Low | 64.1 | Low | 81 Ų | 81 | 107.5 Ų | 107.5 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -41.4 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | E15 K16 I22 T23 | E15-V19 WeakPolarHBondContact O-CB 3.4Å; E15-V19 VanDerWaalsContact O-CG2 3.25Å; E15-V19 WeakPolarHBondContact O-CG2 3Å; E15-V19 PolarHBondContact O-N 3.4Å; K16-V19 PolarHBondContact O-N 3.34Å; V19-I22 PolarHBondContact O-N 2.85Å; V19-T23 VanDerWaalsContact O-CB 3.28Å; V19-T23 WeakPolarHBondContact O-CB 3.28Å; V19-T23 PolarHBondContact O-N 2.94Å; V19-T23 PolarHBondContact O-OG1 3.2Å |
| 20 | E | 75.1 | Confident | 64.7 | Low | 108 Ų | 108 | 103 Ų | 103 | 51% | 0.505 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 177.6 | -164.8 | 163.8 | -171.5 | 0 | 0 | 111.3 | K16 T23 N24 | K16-E20 WeakPolarHBondContact O-CB 3.45Å; K16-E20 PolarHBondContact O-N 2.86Å; E20-T23 PolarHBondContact O-N 3.48Å; E20-N24 VanDerWaalsContact O-CB 3.26Å; E20-N24 WeakPolarHBondContact O-CB 3.28Å; E20-N24 VanDerWaalsContact O-CG 3.23Å; E20-N24 PolarHBondContact O-N 3.44Å; E20-N24 PolarHBondContact O-ND2 3.36Å |
| 21 | T | 74.7 | Confident | 65 | Low | 78 Ų | 78 | 102.3 Ų | 102.3 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 173.4 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | D17 Q18 K25 | D17-T21 VanDerWaalsContact O-CB 3.31Å; D17-T21 WeakPolarHBondContact O-CB 3.25Å; D17-T21 PolarHBondContact O-N 2.91Å; D17-T21 PolarHBondContact O-OG1 3.21Å; Q18-T21 PolarHBondContact O-N 3.46Å; T21-K25 WeakPolarHBondContact O-CG 3.26Å; T21-K25 PolarHBondContact O-N 3.19Å |
| 22 | I | 71.1 | Confident | 64.9 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.7 | -41.6 | 177.8 | -67.8 | 166.7 | 0 | 0 | 0 | 110.5 | Q18 V19 N24 K25 L26 | Q18-I22 VanDerWaalsContact O-CG1 3.27Å; Q18-I22 WeakPolarHBondContact O-CG1 3.31Å; Q18-I22 PolarHBondContact O-N 3.31Å; V19-I22 PolarHBondContact O-N 2.85Å; I22-N24 VanDerWaalsContact C-N 3.33Å; I22-N24 PolarHBondContact O-N 2.79Å; I22-K25 PolarHBondContact O-N 2.78Å; I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.33Å; I22-L26 WeakPolarHBondContact O-CB 3.35Å; I22-L26 WeakPolarHBondContact O-CG 3.45Å; I22-L26 PolarHBondContact O-N 3.42Å |
| 23 | T | 71.2 | Confident | 65.1 | Low | 64 Ų | 64 | 105.9 Ų | 105.9 | 39% | 0.393 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 177.3 | -53.2 | 0 | 0 | 0 | 0 | 110.8 | V19 E20 L26 N27 | V19-T23 VanDerWaalsContact O-CB 3.28Å; V19-T23 WeakPolarHBondContact O-CB 3.28Å; V19-T23 PolarHBondContact O-N 2.94Å; V19-T23 PolarHBondContact O-OG1 3.2Å; E20-T23 PolarHBondContact O-N 3.48Å; T23-L26 PolarHBondContact O-N 2.8Å; T23-N27 VanDerWaalsContact O-CB 3.26Å; T23-N27 WeakPolarHBondContact O-CB 3.26Å; T23-N27 PolarHBondContact O-N 3.38Å |
| 24 | N | 69.1 | Low | 64.3 | Low | 90 Ų | 90 | 110.2 Ų | 110.2 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66 | -40.4 | 173.2 | -75.7 | -27.9 | 0 | 0 | 0 | 111.8 | E20 I22 N27 V28 | E20-N24 VanDerWaalsContact O-CB 3.26Å; E20-N24 WeakPolarHBondContact O-CB 3.28Å; E20-N24 VanDerWaalsContact O-CG 3.23Å; E20-N24 PolarHBondContact O-N 3.44Å; E20-N24 PolarHBondContact O-ND2 3.36Å; I22-N24 VanDerWaalsContact C-N 3.33Å; I22-N24 PolarHBondContact O-N 2.79Å; N24-N27 PolarHBondContact O-N 2.85Å; N24-V28 WeakPolarHBondContact O-CB 3.49Å; N24-V28 WeakPolarHBondContact O-CG2 3.3Å; N24-V28 PolarHBondContact O-N 2.87Å |
| 25 | K | 70.3 | Confident | 63.3 | Low | 143 Ų | 143 | 111.2 Ų | 111.2 | 62% | 0.622 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 172.9 | -80.3 | -178.1 | 177.1 | -178.6 | 0 | 112.5 | T21 I22 V28 L29 | T21-K25 WeakPolarHBondContact O-CG 3.26Å; T21-K25 PolarHBondContact O-N 3.19Å; I22-K25 PolarHBondContact O-N 2.78Å; K25-V28 PolarHBondContact O-N 2.87Å; K25-L29 WeakPolarHBondContact O-CB 3.18Å; K25-L29 VanDerWaalsContact O-CG 3.25Å; K25-L29 WeakPolarHBondContact O-CG 3.34Å; K25-L29 PolarHBondContact O-N 3.47Å |
| 26 | L | 68.8 | Low | 62.2 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.5 | -34.3 | 177.7 | -72.8 | 171 | 0 | 0 | 0 | 112.2 | I22 T23 L29 S30 | I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.33Å; I22-L26 WeakPolarHBondContact O-CB 3.35Å; I22-L26 WeakPolarHBondContact O-CG 3.45Å; I22-L26 PolarHBondContact O-N 3.42Å; T23-L26 PolarHBondContact O-N 2.8Å; L26-L29 PolarHBondContact O-N 2.86Å; L26-S30 VanDerWaalsContact O-CB 3.28Å; L26-S30 WeakPolarHBondContact O-CB 2.96Å; L26-S30 PolarHBondContact O-N 3.15Å; L26-S30 PolarHBondContact O-OG 2.81Å |
| 27 | N | 63.6 | Low | 60.7 | Low | 87 Ų | 87 | 105.1 Ų | 105.1 | 47% | 0.465 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.3 | -37.8 | 171.9 | -84.7 | -21.6 | 0 | 0 | 0 | 111.2 | T23 N24 K31 | T23-N27 VanDerWaalsContact O-CB 3.26Å; T23-N27 WeakPolarHBondContact O-CB 3.26Å; T23-N27 PolarHBondContact O-N 3.38Å; N24-N27 PolarHBondContact O-N 2.85Å; N27-K31 WeakPolarHBondContact O-CA 3.47Å; N27-K31 WeakPolarHBondContact O-CB 3.28Å; N27-K31 PolarHBondContact O-N 3.25Å |
| 28 | V | 68 | Low | 59.3 | Low | 87 Ų | 87 | 106.5 Ų | 106.5 | 53% | 0.527 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.1 | -41.4 | 173.1 | 171 | 0 | 0 | 0 | 0 | 110.8 | N24 K25 H32 | N24-V28 WeakPolarHBondContact O-CB 3.49Å; N24-V28 WeakPolarHBondContact O-CG2 3.3Å; N24-V28 PolarHBondContact O-N 2.87Å; K25-V28 PolarHBondContact O-N 2.87Å; V28-H32 WeakPolarHBondContact O-CB 3.36Å; V28-H32 PolarHBondContact O-N 3.31Å |
| 29 | L | 59.2 | Low | 57.7 | Low | 106 Ų | 106 | 106.3 Ų | 106.3 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.5 | -47.6 | 176.9 | -70.3 | 169.6 | 0 | 0 | 0 | 111.8 | K25 L26 K31 H32 E33 | K25-L29 WeakPolarHBondContact O-CB 3.18Å; K25-L29 VanDerWaalsContact O-CG 3.25Å; K25-L29 WeakPolarHBondContact O-CG 3.34Å; K25-L29 PolarHBondContact O-N 3.47Å; L26-L29 PolarHBondContact O-N 2.86Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 2.86Å; L29-H32 PolarHBondContact O-N 3.47Å; L29-H32 VanDerWaalsContact O-N 3.15Å; L29-E33 PolarHBondContact O-N 2.91Å |
| 30 | S | 58.9 | Low | 56.2 | Low | 25 Ų | 25 | 107.6 Ų | 107.6 | 18% | 0.175 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -71.5 | -23.4 | 178.4 | 79.4 | 0 | 0 | 0 | 0 | 113.2 | L26 R34 | L26-S30 VanDerWaalsContact O-CB 3.28Å; L26-S30 WeakPolarHBondContact O-CB 2.96Å; L26-S30 PolarHBondContact O-N 3.15Å; L26-S30 PolarHBondContact O-OG 2.81Å; S30-R34 WeakPolarHBondContact O-CB 3.26Å; S30-R34 VanDerWaalsContact O-CG 3.3Å; S30-R34 WeakPolarHBondContact O-CG 3.28Å; S30-R34 PolarHBondContact O-N 2.89Å; S30-R34 PolarHBondContact O-NE 3.44Å; S30-R34 PolarHBondContact OG-NH2 2.92Å |
| 31 | K | 52.5 | Low | 54.9 | Low | 142 Ų | 142 | 108.2 Ų | 108.2 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -82.1 | -29.2 | 171.1 | -160.8 | 174.6 | -169.8 | -179.1 | 0 | 110.9 | N27 L29 L35 | N27-K31 WeakPolarHBondContact O-CA 3.47Å; N27-K31 WeakPolarHBondContact O-CB 3.28Å; N27-K31 PolarHBondContact O-N 3.25Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 2.86Å; K31-L35 WeakPolarHBondContact O-CA 3.35Å; K31-L35 WeakPolarHBondContact O-CB 3.48Å; K31-L35 PolarHBondContact O-N 3.41Å |
| 32 | H | 49.3 | Very low | 53.2 | Low | 145 Ų | 145 | 112.4 Ų | 112.4 | 67% | 0.671 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.2 | -38 | 167.1 | -108.8 | -76.1 | 0 | 0 | 0 | 111.7 | V28 L29 S36 | V28-H32 WeakPolarHBondContact O-CB 3.36Å; V28-H32 PolarHBondContact O-N 3.31Å; L29-H32 PolarHBondContact O-N 3.47Å; L29-H32 VanDerWaalsContact O-N 3.15Å; H32-S36 PolarHBondContact O-N 3.24Å; H32-S36 PolarHBondContact O-OG 3.05Å |
| 33 | E | 53.2 | Low | 51.9 | Low | 147 Ų | 147 | 111.3 Ų | 111.3 | 69% | 0.687 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.9 | -32.8 | 175.7 | -79.8 | 176 | 135.1 | 0 | 0 | 113.6 | L29 S36 | L29-E33 PolarHBondContact O-N 2.91Å; E33-S36 PolarHBondContact O-OG 3.27Å |
| 34 | R | 43.9 | Very low | 50.5 | Low | 195 Ų | 195 | 111.2 Ų | 111.2 | 74% | 0.736 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -91.6 | -17.9 | 179.5 | -71.6 | -171.7 | -82.7 | -156.8 | -4.4 | 114.8 | S30 | S30-R34 WeakPolarHBondContact O-CB 3.26Å; S30-R34 VanDerWaalsContact O-CG 3.3Å; S30-R34 WeakPolarHBondContact O-CG 3.28Å; S30-R34 PolarHBondContact O-N 2.89Å; S30-R34 PolarHBondContact O-NE 3.44Å; S30-R34 PolarHBondContact OG-NH2 2.92Å |
| 35 | L | 41.8 | Very low | 49.4 | Very low | 139 Ų | 139 | 115.4 Ų | 115.4 | 73% | 0.728 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -97 | -8.9 | 174.4 | -148.1 | 85 | 0 | 0 | 0 | 112.6 | K31 S37 | K31-L35 WeakPolarHBondContact O-CA 3.35Å; K31-L35 WeakPolarHBondContact O-CB 3.48Å; K31-L35 PolarHBondContact O-N 3.41Å; L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.15Å; L35-S37 VanDerWaalsContact O-N 3.12Å |
| 36 | S | 37.9 | Very low | 48.5 | Very low | 62 Ų | 62 | 115.3 Ų | 115.3 | 43% | 0.434 | 62% | 0.619 | S | S | . | * | trans | -71.9 | 93.8 | 149.7 | 49.6 | 0 | 0 | 0 | 0 | 107.9 | H32 E33 | H32-S36 PolarHBondContact O-N 3.24Å; H32-S36 PolarHBondContact O-OG 3.05Å; E33-S36 PolarHBondContact O-OG 3.27Å | ||
| 37 | S | 37 | Very low | 47.8 | Very low | 80 Ų | 80 | 116.5 Ų | 116.5 | 56% | 0.559 | 63% | 0.626 | S | S | * | * | trans | -42.9 | 148.6 | 135.4 | 50.2 | 0 | 0 | 0 | 0 | 107.3 | L35 L39 | L35-S37 VanDerWaalsContact C-N 3.29Å; L35-S37 PolarHBondContact O-N 3.15Å; L35-S37 VanDerWaalsContact O-N 3.12Å; S37-L39 PolarHBondContact O-N 3.18Å | ||
| 38 | P | 42.4 | Very low | 47.4 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | trans | -64.2 | 85.7 | 176.5 | 27.3 | -31 | 0 | 0 | 0 | 107.3 | ||||
| 39 | L | 35.1 | Very low | 47.2 | Very low | 127 Ų | 127 | 119 Ų | 119 | 67% | 0.665 | 64% | 0.636 | S | S | * | * | trans | -55.7 | 123.6 | 154.6 | -74.3 | 170.9 | 0 | 0 | 0 | 102 | S37 V41 | S37-L39 PolarHBondContact O-N 3.18Å; L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 3.24Å | ||
| 40 | P | 38.2 | Very low | 47.4 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | trans | -55.3 | 108.2 | 178 | 22.8 | -30.4 | 0 | 0 | 0 | 105.5 | Q42 | P40-Q42 PolarHBondContact O-N 2.98Š| ||
| 41 | V | 46.1 | Very low | 47.3 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | trans | -63.8 | 95.8 | 168 | 175.8 | 0 | 0 | 0 | 0 | 102.4 | L39 P43 | L39-V41 VanDerWaalsContact C-N 3.32Å; L39-V41 PolarHBondContact O-N 3.24Å; V41-P43 VanDerWaalsContact O-CD 3.28Å; V41-P43 WeakPolarHBondContact O-CD 3.34Å | ||
| 42 | Q | 39 | Very low | 47.3 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 117.6 | 173.7 | -71.8 | -171.6 | -7.7 | 0 | 0 | 104.7 | P40 S44 | P40-Q42 PolarHBondContact O-N 2.98Å; Q42-S44 PolarHBondContact O-N 3.1Å |
| 43 | P | 45.1 | Very low | 47.6 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 46% | 0.455 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 117.7 | 178.8 | 21.4 | -30 | 0 | 0 | 0 | 105.9 | V41 L45 K330 | V41-P43 VanDerWaalsContact O-CD 3.28Å; V41-P43 WeakPolarHBondContact O-CD 3.34Å; P43-L45 PolarHBondContact O-N 3.08Å; P43-K330 HydrophobicContact CG-CD 4.3Å |
| 44 | S | 41.8 | Very low | 47.6 | Very low | 62 Ų | 62 | 123.4 Ų | 123.4 | 43% | 0.434 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 133.5 | 173.4 | 83.5 | 0 | 0 | 0 | 0 | 106 | Q42 N46 D47 | Q42-S44 PolarHBondContact O-N 3.1Å; S44-N46 PolarHBondContact O-N 3.33Å; S44-D47 PolarHBondContact O-N 3.13Å; S44-D47 VanDerWaalsContact OG-CG 3.23Å; S44-D47 PolarHBondContact OG-OD2 3.14Å |
| 45 | L | 44.6 | Very low | 48.2 | Very low | 178 Ų | 178 | 118.9 Ų | 118.9 | 93% | 0.932 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -3.2 | -172.3 | -157.1 | 75.5 | 0 | 0 | 0 | 113.2 | P43 | P43-L45 PolarHBondContact O-N 3.08Š|
| 46 | N | 51.5 | Low | 49.1 | Very low | 142 Ų | 142 | 114.1 Ų | 114.1 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | 4.2 | -179 | -75.1 | -14.2 | 0 | 0 | 0 | 114.9 | S44 H48 | S44-N46 PolarHBondContact O-N 3.33Å; N46-H48 PolarHBondContact O-N 2.94Å |
| 47 | D | 54.1 | Low | 50.4 | Low | 128 Ų | 128 | 113.7 Ų | 113.7 | 68% | 0.684 | 63% | 0.63 | S | S | * | * | trans | -84.3 | 103.9 | 173.5 | -71.6 | -39.5 | 0 | 0 | 0 | 110.5 | S44 | S44-D47 PolarHBondContact O-N 3.13Å; S44-D47 VanDerWaalsContact OG-CG 3.23Å; S44-D47 PolarHBondContact OG-OD2 3.14Å | ||
| 48 | H | 56.5 | Low | 51.9 | Low | 143 Ų | 143 | 114.4 Ų | 114.4 | 66% | 0.662 | 63% | 0.628 | S | S | * | * | trans | -86.4 | 166.2 | 169.6 | 59.6 | -72.6 | 0 | 0 | 0 | 109.6 | N46 H50 | N46-H48 PolarHBondContact O-N 2.94Å; H48-H50 PolarHBondContact O-N 2.94Å | ||
| 49 | C | 62.8 | Low | 53.2 | Low | 82 Ų | 82 | 112.5 Ų | 112.5 | 55% | 0.554 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -57.2 | 8 | -165.7 | -61.6 | 0 | 0 | 0 | 0 | 118 | K337 | C49-K337 PolarHBondContact O-NZ 3.3Š|
| 50 | H | 64.1 | Low | 55 | Low | 133 Ų | 133 | 109.7 Ų | 109.7 | 62% | 0.616 | 60% | 0.595 | S | S | * | * | trans | -127.1 | 113.5 | -179.5 | -58.6 | -70.5 | 0 | 0 | 0 | 111 | H48 | H48-H50 PolarHBondContact O-N 2.94Š| ||
| 51 | E | 57.6 | Low | 57 | Low | 141 Ų | 141 | 111.3 Ų | 111.3 | 66% | 0.659 | 59% | 0.591 | S | S | * | * | trans | -93.5 | 128.6 | 162.4 | -169.8 | 168 | -178.3 | 0 | 0 | 107.8 | S53 Q338 | E51-S53 PolarHBondContact O-N 2.67Å; E51-Q338 PolarHBondContact OE2-NE2 3.46Å | ||
| 52 | Y | 51.8 | Low | 58.7 | Low | 217 Ų | 217 | 107.4 Ų | 107.4 | 85% | 0.851 | 57% | 0.569 | S | S | * | * | trans | -73.4 | 94.9 | -175.4 | -135 | -88 | 0 | 0 | 0 | 109.4 | T54 | Y52-T54 PolarHBondContact O-N 3.21Š| ||
| 53 | S | 55.3 | Low | 60.8 | Low | 81 Ų | 81 | 101.1 Ų | 101.1 | 57% | 0.566 | 55% | 0.546 | S | S | * | . | trans | -68.4 | 92.3 | 175.6 | -47.5 | 0 | 0 | 0 | 0 | 110.3 | E51 V55 | E51-S53 PolarHBondContact O-N 2.67Å; S53-V55 PolarHBondContact O-N 2.81Å | ||
| 54 | T | 53.7 | Low | 62.8 | Low | 87 Ų | 87 | 104 Ų | 104 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.7 | -20.4 | 180 | 55 | 0 | 0 | 0 | 0 | 113.3 | Y52 S57 N58 | Y52-T54 PolarHBondContact O-N 3.21Å; T54-S57 PolarHBondContact O-N 3.33Å; T54-S57 PolarHBondContact O-OG 3.5Å; T54-N58 PolarHBondContact O-ND2 3.47Å |
| 55 | V | 56.6 | Low | 65.1 | Low | 100 Ų | 100 | 109.6 Ų | 109.6 | 61% | 0.606 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.8 | -49.2 | -173.4 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | S53 S57 N58 I59 | S53-V55 PolarHBondContact O-N 2.81Å; V55-S57 VanDerWaalsContact C-N 3.27Å; V55-S57 PolarHBondContact O-N 3.22Å; V55-N58 PolarHBondContact O-N 3.48Å; V55-I59 HydrophobicContact CG1-CD1 4.37Å |
| 56 | S | 60.4 | Low | 67.1 | Low | 38 Ų | 38 | 103.1 Ų | 103.1 | 27% | 0.266 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -37.3 | -176.6 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | N58 I59 D60 | S56-N58 VanDerWaalsContact C-N 3.26Å; S56-N58 PolarHBondContact O-N 3.08Å; S56-I59 PolarHBondContact O-N 3.4Å; S56-D60 PolarHBondContact O-N 3.12Å |
| 57 | S | 64.6 | Low | 68.9 | Low | 54 Ų | 54 | 97.4 Ų | 97.4 | 38% | 0.378 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -26.8 | -178.5 | 77.6 | 0 | 0 | 0 | 0 | 114.1 | T54 V55 K61 | T54-S57 PolarHBondContact O-N 3.33Å; T54-S57 PolarHBondContact O-OG 3.5Å; V55-S57 VanDerWaalsContact C-N 3.27Å; V55-S57 PolarHBondContact O-N 3.22Å; S57-K61 WeakPolarHBondContact O-CG 3.3Å |
| 58 | N | 68 | Low | 70.7 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -81.5 | -33.9 | -179.6 | -74.4 | -45.4 | 0 | 0 | 0 | 112.1 | T54 V55 S56 K61 S62 | T54-N58 PolarHBondContact O-ND2 3.47Å; V55-N58 PolarHBondContact O-N 3.48Å; S56-N58 VanDerWaalsContact C-N 3.26Å; S56-N58 PolarHBondContact O-N 3.08Å; N58-K61 PolarHBondContact O-N 3.07Å; N58-S62 PolarHBondContact O-N 2.87Å |
| 59 | I | 69.6 | Low | 72.4 | Confident | 90 Ų | 90 | 93.9 Ų | 93.9 | 46% | 0.462 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 177.2 | -62.6 | 172.6 | 0 | 0 | 0 | 109.5 | V55 S56 K61 S62 A63 | V55-I59 HydrophobicContact CG1-CD1 4.37Å; S56-I59 PolarHBondContact O-N 3.4Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.48Å; I59-S62 PolarHBondContact O-N 2.67Å; I59-A63 PolarHBondContact O-N 3.41Å |
| 60 | D | 73.2 | Confident | 73.7 | Confident | 69 Ų | 69 | 90.1 Ų | 90.1 | 37% | 0.369 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | -179.3 | -62.8 | -14.1 | 0 | 0 | 0 | 112.4 | S56 A63 R64 | S56-D60 PolarHBondContact O-N 3.12Å; D60-A63 PolarHBondContact O-N 3.07Å; D60-R64 VanDerWaalsContact O-CB 3.3Å; D60-R64 WeakPolarHBondContact O-CB 3.48Å; D60-R64 PolarHBondContact O-N 3.22Å |
| 61 | K | 81.8 | Confident | 75 | Confident | 141 Ų | 141 | 84.3 Ų | 84.3 | 61% | 0.613 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64 | -43 | 176.9 | -73.6 | 174.1 | -174.1 | 173.9 | 0 | 111.9 | S57 N58 I59 R65 | S57-K61 WeakPolarHBondContact O-CG 3.3Å; N58-K61 PolarHBondContact O-N 3.07Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.48Å; K61-R65 PolarHBondContact O-N 2.99Å; K61-R65 VanDerWaalsContact O-N 3.1Å |
| 62 | S | 81.3 | Confident | 76.7 | Confident | 40 Ų | 40 | 79.6 Ų | 79.6 | 28% | 0.28 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 177.9 | -173.7 | 0 | 0 | 0 | 0 | 111 | N58 I59 R64 R65 K66 | N58-S62 PolarHBondContact O-N 2.87Å; I59-S62 PolarHBondContact O-N 2.67Å; S62-R64 PolarHBondContact O-N 2.94Å; S62-R65 PolarHBondContact O-N 3.46Å; S62-K66 WeakPolarHBondContact O-CG 3.27Å; S62-K66 PolarHBondContact O-N 2.89Å; S62-K66 VanDerWaalsContact O-N 3.12Å |
| 63 | A | 83.4 | Confident | 78.6 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I59 D60 R65 K66 L67 L114 | I59-A63 PolarHBondContact O-N 3.41Å; D60-A63 PolarHBondContact O-N 3.07Å; A63-R65 PolarHBondContact O-N 3.01Å; A63-K66 PolarHBondContact O-N 3.41Å; A63-L67 PolarHBondContact O-N 2.62Å; A63-L114 HydrophobicContact CB-CD1 4.36Å |
| 64 | R | 87.2 | Confident | 80.3 | Confident | 131 Ų | 131 | 67.4 Ų | 67.4 | 49% | 0.494 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 177.3 | -176.6 | 178.1 | 175.5 | -155.4 | -2.1 | 112.2 | D60 S62 L67 I68 L111 | D60-R64 VanDerWaalsContact O-CB 3.3Å; D60-R64 WeakPolarHBondContact O-CB 3.48Å; D60-R64 PolarHBondContact O-N 3.22Å; S62-R64 PolarHBondContact O-N 2.94Å; R64-L67 PolarHBondContact O-N 3.43Å; R64-I68 HydrophobicContact CG-CD1 3.93Å; R64-I68 VanDerWaalsContact O-CG1 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.25Å; R64-I68 PolarHBondContact O-N 2.86Å; R64-L111 HydrophobicContact CG-CD2 4.45Å |
| 65 | R | 89 | Confident | 82.2 | Confident | 178 Ų | 178 | 67.1 Ų | 67.1 | 67% | 0.672 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.3 | -42.8 | 179.7 | -174.5 | 175.8 | 65.2 | -172.5 | -0.3 | 111.9 | K61 S62 A63 I68 L69 | K61-R65 PolarHBondContact O-N 2.99Å; K61-R65 VanDerWaalsContact O-N 3.1Å; S62-R65 PolarHBondContact O-N 3.46Å; A63-R65 PolarHBondContact O-N 3.01Å; R65-I68 PolarHBondContact O-N 3.49Å; R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 PolarHBondContact O-N 3.43Å |
| 66 | K | 88 | Confident | 83.9 | Confident | 43 Ų | 43 | 69.1 Ų | 69.1 | 19% | 0.187 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -44.1 | 178.3 | -68 | 174.3 | -172.3 | -179.2 | 0 | 111.9 | S62 A63 L69 A70 N191 | S62-K66 WeakPolarHBondContact O-CG 3.27Å; S62-K66 PolarHBondContact O-N 2.89Å; S62-K66 VanDerWaalsContact O-N 3.12Å; A63-K66 PolarHBondContact O-N 3.41Å; K66-L69 PolarHBondContact O-N 2.88Å; K66-A70 WeakPolarHBondContact O-CB 3.46Å; K66-A70 PolarHBondContact O-N 3.24Å; K66-N191 WeakPolarHBondContact CE-ND2 3.48Å; K66-N191 WeakPolarHBondContact CE-OD1 3.27Å |
| 67 | L | 88.5 | Confident | 85.3 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.6 | -75.9 | 168.3 | 0 | 0 | 0 | 112 | A63 R64 L69 A70 S71 F107 L111 L114 L189 | A63-L67 PolarHBondContact O-N 2.62Å; R64-L67 PolarHBondContact O-N 3.43Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.07Å; L67-A70 PolarHBondContact O-N 3.49Å; L67-S71 WeakPolarHBondContact O-CB 3.28Å; L67-S71 PolarHBondContact O-N 3.39Å; L67-S71 PolarHBondContact O-OG 2.99Å; L67-F107 HydrophobicContact CD2-CD1 4.45Å; L67-L111 HydrophobicContact CB-CD2 3.57Å; L67-L111 HydrophobicContact CB-CG 3.99Å; L67-L111 HydrophobicContact CD1-CD2 4.45Å; L67-L114 HydrophobicContact CD1-CD1 3.4Å; L67-L114 VanDerWaalsContact CD1-CD1 3.4Å; L67-L189 HydrophobicContact CD2-CD1 4.43Å |
| 68 | I | 92.5 | Very high | 86.6 | Confident | 86 Ų | 86 | 67.6 Ų | 67.6 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 174.1 | -69.5 | 168.7 | 0 | 0 | 0 | 110.8 | R64 R65 S71 G72 L111 | R64-I68 HydrophobicContact CG-CD1 3.93Å; R64-I68 VanDerWaalsContact O-CG1 3.28Å; R64-I68 WeakPolarHBondContact O-CG1 3.25Å; R64-I68 PolarHBondContact O-N 2.86Å; R65-I68 PolarHBondContact O-N 3.49Å; I68-S71 PolarHBondContact O-N 3.41Å; I68-G72 PolarHBondContact O-N 3.03Å; I68-L111 HydrophobicContact CG1-CD1 4.32Å; I68-L111 HydrophobicContact CG1-CD2 3.8Å |
| 69 | L | 91.8 | Very high | 87.8 | Confident | 110 Ų | 110 | 66.1 Ų | 66.1 | 58% | 0.576 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 178.1 | -174.7 | 64.9 | 0 | 0 | 0 | 111.5 | R65 K66 L67 G72 L73 T188 | R65-L69 WeakPolarHBondContact O-CB 3.49Å; R65-L69 PolarHBondContact O-N 3.43Å; K66-L69 PolarHBondContact O-N 2.88Å; L67-L69 VanDerWaalsContact C-N 3.32Å; L67-L69 PolarHBondContact O-N 3.07Å; L69-G72 PolarHBondContact O-N 2.92Å; L69-L73 WeakPolarHBondContact O-CB 3.41Å; L69-L73 PolarHBondContact O-N 3.13Å; L69-T188 HydrophobicContact CB-CG2 4.17Å; L69-T188 HydrophobicContact CD2-CG2 3.55Å; L69-T188 HydrophobicContact CG-CG2 3.66Å |
| 70 | A | 89.3 | Confident | 88.7 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K66 L67 G72 L73 C74 | K66-A70 WeakPolarHBondContact O-CB 3.46Å; K66-A70 PolarHBondContact O-N 3.24Å; L67-A70 PolarHBondContact O-N 3.49Å; A70-G72 PolarHBondContact O-N 3.39Å; A70-L73 PolarHBondContact O-N 3.4Å; A70-C74 VanDerWaalsContact O-CB 3.28Å; A70-C74 WeakPolarHBondContact O-CB 3.32Å; A70-C74 PolarHBondContact O-N 3.02Å |
| 71 | S | 91.7 | Very high | 89.5 | Confident | 12 Ų | 12 | 61.6 Ų | 61.6 | 8% | 0.084 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 174.9 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | L67 I68 L75 F107 L111 | L67-S71 WeakPolarHBondContact O-CB 3.28Å; L67-S71 PolarHBondContact O-N 3.39Å; L67-S71 PolarHBondContact O-OG 2.99Å; I68-S71 PolarHBondContact O-N 3.41Å; S71-L75 WeakPolarHBondContact O-CB 3.4Å; S71-L75 PolarHBondContact O-N 3.24Å; S71-F107 WeakPolarHBondContact OG-CB 3.37Å; S71-L111 WeakPolarHBondContact OG-CD1 3.34Å |
| 72 | G | 93 | Very high | 89.9 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 43% | 0.433 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I68 L69 A70 F76 | I68-G72 PolarHBondContact O-N 3.03Å; L69-G72 PolarHBondContact O-N 2.92Å; A70-G72 PolarHBondContact O-N 3.39Å; G72-F76 PolarHBondContact O-N 2.79Å |
| 73 | L | 91.5 | Very high | 90.4 | Very high | 41 Ų | 41 | 62.1 Ų | 62.1 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -45.5 | 176.6 | -172.7 | 70.3 | 0 | 0 | 0 | 111.9 | L69 A70 L75 F76 F77 I184 M185 | L69-L73 WeakPolarHBondContact O-CB 3.41Å; L69-L73 PolarHBondContact O-N 3.13Å; A70-L73 PolarHBondContact O-N 3.4Å; L73-L75 PolarHBondContact O-N 3.2Å; L73-F76 WeakPolarHBondContact O-CB 3.15Å; L73-F76 PolarHBondContact O-N 3.31Å; L73-F77 HydrophobicContact CD1-CD2 4.06Å; L73-F77 HydrophobicContact CD1-CE2 3.49Å; L73-F77 VanDerWaalsContact CD1-CE2 3.49Å; L73-F77 HydrophobicContact CD1-CZ 4.34Å; L73-F77 HydrophobicContact CD2-CE2 4.2Å; L73-F77 HydrophobicContact CG-CD2 3.89Å; L73-F77 HydrophobicContact CG-CE2 3.65Å; L73-F77 VanDerWaalsContact O-CD2 3.27Å; L73-F77 WeakPolarHBondContact O-CD2 3.18Å; L73-F77 PolarHBondContact O-N 2.89Å; L73-F77 VanDerWaalsContact O-N 3.07Å; L73-I184 HydrophobicContact CD2-CB 4.38Å; L73-I184 HydrophobicContact CD2-CG2 3.58Å; L73-M185 HydrophobicContact CD2-CG 3.96Å |
| 74 | C | 91.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | A70 F76 F77 M78 L100 F107 M185 | A70-C74 VanDerWaalsContact O-CB 3.28Å; A70-C74 WeakPolarHBondContact O-CB 3.32Å; A70-C74 PolarHBondContact O-N 3.02Å; C74-F76 VanDerWaalsContact C-N 3.35Å; C74-F76 PolarHBondContact O-N 3.43Å; C74-F77 PolarHBondContact O-N 2.98Å; C74-M78 VanDerWaalsContact O-CB 3.22Å; C74-M78 WeakPolarHBondContact O-CB 3.3Å; C74-M78 PolarHBondContact O-N 3.35Å; C74-L100 PolarHBondContact SG-O 3.11Å; C74-F107 HydrophobicContact CB-CD2 4.38Å; C74-F107 HydrophobicContact CB-CE2 4.25Å; C74-M185 HydrophobicContact CB-SD 3.98Å |
| 75 | L | 93.2 | Very high | 90.4 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176 | -177 | 63.5 | 0 | 0 | 0 | 111.9 | S71 L73 M78 T79 F104 | S71-L75 WeakPolarHBondContact O-CB 3.4Å; S71-L75 PolarHBondContact O-N 3.24Å; L73-L75 PolarHBondContact O-N 3.2Å; L75-M78 PolarHBondContact O-N 2.8Å; L75-T79 HydrophobicContact CD1-CG2 4.4Å; L75-T79 WeakPolarHBondContact O-CG2 3.29Å; L75-T79 PolarHBondContact O-N 3.12Å; L75-T79 PolarHBondContact O-OG1 3.26Å; L75-F104 HydrophobicContact CB-CD2 4.5Å; L75-F104 HydrophobicContact CB-CE2 4.15Å |
| 76 | F | 92.5 | Very high | 90.3 | Very high | 141 Ų | 141 | 50.4 Ų | 50.4 | 62% | 0.618 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -59.2 | -51.7 | 177.2 | 175.3 | -100.3 | 0 | 0 | 0 | 111.8 | G72 L73 C74 T79 G80 | G72-F76 PolarHBondContact O-N 2.79Å; L73-F76 WeakPolarHBondContact O-CB 3.15Å; L73-F76 PolarHBondContact O-N 3.31Å; C74-F76 VanDerWaalsContact C-N 3.35Å; C74-F76 PolarHBondContact O-N 3.43Å; F76-T79 PolarHBondContact O-N 3.04Å; F76-T79 PolarHBondContact O-OG1 3.46Å; F76-G80 PolarHBondContact O-N 3.27Å; F76-G80 VanDerWaalsContact O-N 3.15Å |
| 77 | F | 90.4 | Very high | 90.4 | Very high | 49 Ų | 49 | 55 Ų | 55 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 179 | -75 | -62.8 | 0 | 0 | 0 | 112.8 | L73 C74 T79 G80 E81 L100 V181 I184 | L73-F77 HydrophobicContact CD1-CD2 4.06Å; L73-F77 HydrophobicContact CD1-CE2 3.49Å; L73-F77 VanDerWaalsContact CD1-CE2 3.49Å; L73-F77 HydrophobicContact CD1-CZ 4.34Å; L73-F77 HydrophobicContact CD2-CE2 4.2Å; L73-F77 HydrophobicContact CG-CD2 3.89Å; L73-F77 HydrophobicContact CG-CE2 3.65Å; L73-F77 VanDerWaalsContact O-CD2 3.27Å; L73-F77 WeakPolarHBondContact O-CD2 3.18Å; L73-F77 PolarHBondContact O-N 2.89Å; L73-F77 VanDerWaalsContact O-N 3.07Å; C74-F77 PolarHBondContact O-N 2.98Å; F77-T79 VanDerWaalsContact C-N 3.31Å; F77-T79 PolarHBondContact O-N 3.29Å; F77-G80 WeakPolarHBondContact O-CA 3.24Å; F77-G80 PolarHBondContact O-N 2.81Å; F77-E81 PolarHBondContact O-N 2.83Å; F77-L100 HydrophobicContact CB-CD1 4.38Å; F77-V181 HydrophobicContact CB-CG1 4.03Å; F77-V181 HydrophobicContact CB-CG2 4.25Å; F77-V181 HydrophobicContact CD1-CG2 3.56Å; F77-V181 HydrophobicContact CD2-CB 4.25Å; F77-V181 HydrophobicContact CD2-CG1 3.45Å; F77-V181 VanDerWaalsContact CD2-CG1 3.45Å; F77-V181 HydrophobicContact CD2-CG2 3.85Å; F77-V181 HydrophobicContact CE1-CG2 3.74Å; F77-V181 HydrophobicContact CE2-CB 4.45Å; F77-V181 HydrophobicContact CE2-CG1 3.98Å; F77-V181 HydrophobicContact CE2-CG2 3.98Å; F77-V181 HydrophobicContact CG-CB 4.39Å; F77-V181 HydrophobicContact CG-CG1 3.79Å; F77-V181 HydrophobicContact CG-CG2 3.62Å; F77-V181 HydrophobicContact CZ-CG2 3.94Å; F77-I184 HydrophobicContact CZ-CD1 4.3Å |
| 78 | M | 91.4 | Very high | 90.2 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 5% | 0.054 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 176.9 | -170.3 | -164.3 | -41.6 | 0 | 0 | 111.7 | C74 L75 G80 E81 I82 T97 L100 L101 F104 | C74-M78 VanDerWaalsContact O-CB 3.22Å; C74-M78 WeakPolarHBondContact O-CB 3.3Å; C74-M78 PolarHBondContact O-N 3.35Å; L75-M78 PolarHBondContact O-N 2.8Å; M78-G80 VanDerWaalsContact C-N 3.34Å; M78-G80 PolarHBondContact O-N 2.87Å; M78-E81 PolarHBondContact O-N 3.32Å; M78-I82 HydrophobicContact CG-CD1 4.02Å; M78-I82 WeakPolarHBondContact O-CB 3.2Å; M78-I82 WeakPolarHBondContact O-CG1 3.39Å; M78-I82 PolarHBondContact O-N 3.07Å; M78-T97 HydrophobicContact CG-CG2 4.25Å; M78-L100 HydrophobicContact CB-CB 4.28Å; M78-L100 HydrophobicContact CB-CD1 4.34Å; M78-L100 HydrophobicContact CG-CB 4.25Å; M78-L101 HydrophobicContact SD-CB 4.23Å; M78-L101 HydrophobicContact SD-CD1 4.05Å; M78-F104 HydrophobicContact CE-CB 3.41Å; M78-F104 VanDerWaalsContact CE-CB 3.41Å; M78-F104 HydrophobicContact CE-CD1 4.19Å; M78-F104 HydrophobicContact CE-CD2 4.37Å; M78-F104 HydrophobicContact CE-CG 3.75Å |
| 79 | T | 92 | Very high | 89.7 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 175.5 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | L75 F76 F77 I83 | L75-T79 HydrophobicContact CD1-CG2 4.4Å; L75-T79 WeakPolarHBondContact O-CG2 3.29Å; L75-T79 PolarHBondContact O-N 3.12Å; L75-T79 PolarHBondContact O-OG1 3.26Å; F76-T79 PolarHBondContact O-N 3.04Å; F76-T79 PolarHBondContact O-OG1 3.46Å; F77-T79 VanDerWaalsContact C-N 3.31Å; F77-T79 PolarHBondContact O-N 3.29Å; T79-I83 WeakPolarHBondContact O-CD1 3.47Å; T79-I83 VanDerWaalsContact O-CG1 3.24Å; T79-I83 WeakPolarHBondContact O-CG1 3.29Å; T79-I83 PolarHBondContact O-N 3.44Å; T79-I83 VanDerWaalsContact O-N 3.09Å |
| 80 | G | 90.1 | Very high | 89.2 | Confident | 44 Ų | 44 | 56.1 Ų | 56.1 | 45% | 0.454 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | F76 F77 M78 I83 G84 | F76-G80 PolarHBondContact O-N 3.27Å; F76-G80 VanDerWaalsContact O-N 3.15Å; F77-G80 WeakPolarHBondContact O-CA 3.24Å; F77-G80 PolarHBondContact O-N 2.81Å; M78-G80 VanDerWaalsContact C-N 3.34Å; M78-G80 PolarHBondContact O-N 2.87Å; G80-I83 PolarHBondContact O-N 3.02Å; G80-G84 PolarHBondContact O-N 2.84Å |
| 81 | E | 89.6 | Confident | 88.8 | Confident | 20 Ų | 20 | 62.5 Ų | 62.5 | 9% | 0.093 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -72.4 | -36.3 | 178 | -71.3 | -175.9 | -172.1 | 0 | 0 | 113.3 | F77 M78 I83 G84 G85 I93 T97 L100 | F77-E81 PolarHBondContact O-N 2.83Å; M78-E81 PolarHBondContact O-N 3.32Å; E81-I83 VanDerWaalsContact C-N 3.32Å; E81-I83 PolarHBondContact O-N 3.22Å; E81-G84 PolarHBondContact O-N 3.22Å; E81-G85 WeakPolarHBondContact O-CA 3.3Å; E81-G85 PolarHBondContact O-N 3.28Å; E81-I93 HydrophobicContact CB-CG2 4.23Å; E81-I93 WeakPolarHBondContact O-CG2 3.34Å; E81-T97 VanDerWaalsContact CB-OG1 3.28Å; E81-T97 WeakPolarHBondContact CB-OG1 3.4Å; E81-T97 PolarHBondContact OE2-N 3.4Å; E81-T97 PolarHBondContact OE2-OG1 3Å; E81-L100 HydrophobicContact CG-CD1 4.5Å; E81-L100 VanDerWaalsContact OE2-CD1 3.24Å; E81-L100 WeakPolarHBondContact OE2-CD1 3.39Å |
| 82 | I | 90.7 | Very high | 88.1 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 45% | 0.451 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.8 | -47.8 | 172.3 | -72.2 | 165.2 | 0 | 0 | 0 | 109.8 | M78 A86 T97 | M78-I82 HydrophobicContact CG-CD1 4.02Å; M78-I82 WeakPolarHBondContact O-CB 3.2Å; M78-I82 WeakPolarHBondContact O-CG1 3.39Å; M78-I82 PolarHBondContact O-N 3.07Å; I82-A86 VanDerWaalsContact O-CB 3.29Å; I82-A86 WeakPolarHBondContact O-CB 3.45Å; I82-A86 PolarHBondContact O-N 2.99Å; I82-T97 HydrophobicContact CD1-CG2 4.02Å; I82-T97 HydrophobicContact CG1-CG2 3.35Å |
| 83 | I | 90.4 | Very high | 87.7 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 53% | 0.533 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | 178.5 | -65.9 | 165.9 | 0 | 0 | 0 | 110.2 | T79 G80 E81 G85 A86 L87 | T79-I83 WeakPolarHBondContact O-CD1 3.47Å; T79-I83 VanDerWaalsContact O-CG1 3.24Å; T79-I83 WeakPolarHBondContact O-CG1 3.29Å; T79-I83 PolarHBondContact O-N 3.44Å; T79-I83 VanDerWaalsContact O-N 3.09Å; G80-I83 PolarHBondContact O-N 3.02Å; E81-I83 VanDerWaalsContact C-N 3.32Å; E81-I83 PolarHBondContact O-N 3.22Å; I83-G85 PolarHBondContact O-N 2.93Å; I83-A86 PolarHBondContact O-N 3.49Å; I83-L87 HydrophobicContact CG2-CD1 3.97Å; I83-L87 HydrophobicContact CG2-CG 4.48Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.05Å |
| 84 | G | 85.9 | Confident | 87.3 | Confident | 30 Ų | 30 | 66.3 Ų | 66.3 | 31% | 0.309 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G80 E81 L87 A88 | G80-G84 PolarHBondContact O-N 2.84Å; E81-G84 PolarHBondContact O-N 3.22Å; G84-L87 PolarHBondContact O-N 2.92Å; G84-A88 WeakPolarHBondContact O-CB 3.48Å; G84-A88 PolarHBondContact O-N 3.1Å |
| 85 | G | 86.3 | Confident | 86.9 | Confident | 2 Ų | 2 | 69.8 Ų | 69.8 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E81 I83 H89 S90 | E81-G85 WeakPolarHBondContact O-CA 3.3Å; E81-G85 PolarHBondContact O-N 3.28Å; I83-G85 PolarHBondContact O-N 2.93Å; G85-H89 PolarHBondContact O-N 3.35Å; G85-S90 PolarHBondContact O-N 2.91Å |
| 86 | A | 86.9 | Confident | 86.5 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 53% | 0.529 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | I82 I83 H89 | I82-A86 VanDerWaalsContact O-CB 3.29Å; I82-A86 WeakPolarHBondContact O-CB 3.45Å; I82-A86 PolarHBondContact O-N 2.99Å; I83-A86 PolarHBondContact O-N 3.49Å; A86-H89 PolarHBondContact O-N 3.47Å |
| 87 | L | 88.9 | Confident | 86.2 | Confident | 139 Ų | 139 | 61.5 Ų | 61.5 | 73% | 0.728 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.8 | -36.2 | 178.1 | -69.2 | 174.7 | 0 | 0 | 0 | 112.7 | I83 G84 | I83-L87 HydrophobicContact CG2-CD1 3.97Å; I83-L87 HydrophobicContact CG2-CG 4.48Å; I83-L87 VanDerWaalsContact O-CG 3.3Å; I83-L87 WeakPolarHBondContact O-CG 3.38Å; I83-L87 PolarHBondContact O-N 3.05Å; G84-L87 PolarHBondContact O-N 2.92Å |
| 88 | A | 84.1 | Confident | 86.1 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 44% | 0.438 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -85.2 | -6.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114 | G84 S90 I93 | G84-A88 WeakPolarHBondContact O-CB 3.48Å; G84-A88 PolarHBondContact O-N 3.1Å; A88-S90 PolarHBondContact O-N 3.27Å; A88-S90 VanDerWaalsContact O-N 3.16Å; A88-I93 HydrophobicContact CB-CD1 3.86Å |
| 89 | H | 82.9 | Confident | 85.9 | Confident | 177 Ų | 177 | 63.9 Ų | 63.9 | 82% | 0.819 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 39.1 | -170.9 | -69.8 | -84.5 | 0 | 0 | 0 | 113 | G85 A86 | G85-H89 PolarHBondContact O-N 3.35Å; A86-H89 PolarHBondContact O-N 3.47Å |
| 90 | S | 80.5 | Confident | 85.8 | Confident | 12 Ų | 12 | 61 Ų | 61 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | trans | -106.9 | 114.5 | -170.3 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | G85 A88 A92 I93 M94 | G85-S90 PolarHBondContact O-N 2.91Å; A88-S90 PolarHBondContact O-N 3.27Å; A88-S90 VanDerWaalsContact O-N 3.16Å; S90-A92 PolarHBondContact O-N 2.96Å; S90-A92 PolarHBondContact OG-N 3.4Å; S90-I93 PolarHBondContact O-N 3.15Å; S90-M94 WeakPolarHBondContact O-CG 3.38Å; S90-M94 PolarHBondContact O-N 3.48Å | ||
| 91 | L | 80.1 | Confident | 85.8 | Confident | 136 Ų | 136 | 63.5 Ų | 63.5 | 71% | 0.712 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.9 | -28.5 | 173.8 | -171.3 | 68.3 | 0 | 0 | 0 | 112.7 | M94 T95 | L91-M94 PolarHBondContact O-N 3.17Å; L91-T95 PolarHBondContact O-N 3.17Å; L91-T95 VanDerWaalsContact O-N 3.14Å; L91-T95 PolarHBondContact O-OG1 3.31Å |
| 92 | A | 78.7 | Confident | 85.9 | Confident | 34 Ų | 34 | 64.3 Ų | 64.3 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S90 M94 T95 D96 | S90-A92 PolarHBondContact O-N 2.96Å; S90-A92 PolarHBondContact OG-N 3.4Å; A92-M94 VanDerWaalsContact C-N 3.35Å; A92-T95 PolarHBondContact O-N 3.38Å; A92-D96 PolarHBondContact O-N 2.82Å |
| 93 | I | 83.5 | Confident | 85.8 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 176.7 | -58.9 | 171.5 | 0 | 0 | 0 | 110.5 | E81 A88 S90 T95 D96 T97 I170 T174 | E81-I93 HydrophobicContact CB-CG2 4.23Å; E81-I93 WeakPolarHBondContact O-CG2 3.34Å; A88-I93 HydrophobicContact CB-CD1 3.86Å; S90-I93 PolarHBondContact O-N 3.15Å; I93-T95 PolarHBondContact O-N 3.02Å; I93-D96 PolarHBondContact O-N 3.49Å; I93-T97 PolarHBondContact O-N 2.69Å; I93-T97 PolarHBondContact O-OG1 2.85Å; I93-I170 HydrophobicContact CG1-CG2 4.45Å; I93-T174 HydrophobicContact CB-CG2 4.42Å; I93-T174 HydrophobicContact CD1-CG2 4.26Å; I93-T174 HydrophobicContact CG1-CG2 3.38Å |
| 94 | M | 83.7 | Confident | 85.9 | Confident | 118 Ų | 118 | 60.1 Ų | 60.1 | 58% | 0.581 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.7 | -31.3 | 179.4 | -64 | -177 | 88 | 0 | 0 | 113.1 | S90 L91 A92 A98 | S90-M94 WeakPolarHBondContact O-CG 3.38Å; S90-M94 PolarHBondContact O-N 3.48Å; L91-M94 PolarHBondContact O-N 3.17Å; A92-M94 VanDerWaalsContact C-N 3.35Å; M94-A98 PolarHBondContact O-N 2.78Å; M94-A98 VanDerWaalsContact O-N 3.1Å |
| 95 | T | 82.3 | Confident | 86.2 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.2 | -41.5 | 177 | -57 | 0 | 0 | 0 | 0 | 111.2 | L91 A92 I93 A98 H99 | L91-T95 PolarHBondContact O-N 3.17Å; L91-T95 VanDerWaalsContact O-N 3.14Å; L91-T95 PolarHBondContact O-OG1 3.31Å; A92-T95 PolarHBondContact O-N 3.38Å; I93-T95 PolarHBondContact O-N 3.02Å; T95-A98 WeakPolarHBondContact O-CB 3.42Å; T95-A98 PolarHBondContact O-N 3.13Å; T95-H99 PolarHBondContact O-CD2 2.95Å; T95-H99 VanDerWaalsContact O-CD2 3.29Å; T95-H99 PolarHBondContact O-N 2.78Å |
| 96 | D | 84.6 | Confident | 86.5 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 175.7 | -159 | 34.1 | 0 | 0 | 0 | 111.2 | A92 I93 A98 H99 L100 | A92-D96 PolarHBondContact O-N 2.82Å; I93-D96 PolarHBondContact O-N 3.49Å; D96-A98 VanDerWaalsContact C-N 3.29Å; D96-A98 PolarHBondContact O-N 3.33Å; D96-H99 WeakPolarHBondContact O-CA 3.31Å; D96-H99 WeakPolarHBondContact O-CB 3.22Å; D96-H99 PolarHBondContact O-N 3.36Å; D96-L100 PolarHBondContact O-N 2.86Å |
| 97 | T | 88.1 | Confident | 86.7 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 10% | 0.104 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.1 | -40.1 | 172.5 | -65.9 | 0 | 0 | 0 | 0 | 112.9 | M78 E81 I82 I93 H99 L100 L101 | M78-T97 HydrophobicContact CG-CG2 4.25Å; E81-T97 VanDerWaalsContact CB-OG1 3.28Å; E81-T97 WeakPolarHBondContact CB-OG1 3.4Å; E81-T97 PolarHBondContact OE2-N 3.4Å; E81-T97 PolarHBondContact OE2-OG1 3Å; I82-T97 HydrophobicContact CD1-CG2 4.02Å; I82-T97 HydrophobicContact CG1-CG2 3.35Å; I93-T97 PolarHBondContact O-N 2.69Å; I93-T97 PolarHBondContact O-OG1 2.85Å; T97-H99 VanDerWaalsContact C-N 3.29Å; T97-H99 PolarHBondContact O-N 3.1Å; T97-L100 PolarHBondContact O-N 3.01Å; T97-L101 PolarHBondContact O-N 2.9Å |
| 98 | A | 87.5 | Confident | 86.9 | Confident | 51 Ų | 51 | 56.9 Ų | 56.9 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M94 T95 D96 L101 T102 | M94-A98 PolarHBondContact O-N 2.78Å; M94-A98 VanDerWaalsContact O-N 3.1Å; T95-A98 WeakPolarHBondContact O-CB 3.42Å; T95-A98 PolarHBondContact O-N 3.13Å; D96-A98 VanDerWaalsContact C-N 3.29Å; D96-A98 PolarHBondContact O-N 3.33Å; A98-L101 PolarHBondContact O-N 2.95Å; A98-T102 PolarHBondContact O-N 3.36Å |
| 99 | H | 86.7 | Confident | 87.3 | Confident | 59 Ų | 59 | 57 Ų | 57 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.5 | -48.5 | 171.6 | -74.4 | -58.1 | 0 | 0 | 0 | 112 | T95 D96 T97 L101 T102 D103 | T95-H99 PolarHBondContact O-CD2 2.95Å; T95-H99 VanDerWaalsContact O-CD2 3.29Å; T95-H99 PolarHBondContact O-N 2.78Å; D96-H99 WeakPolarHBondContact O-CA 3.31Å; D96-H99 WeakPolarHBondContact O-CB 3.22Å; D96-H99 PolarHBondContact O-N 3.36Å; T97-H99 VanDerWaalsContact C-N 3.29Å; T97-H99 PolarHBondContact O-N 3.1Å; H99-L101 PolarHBondContact O-N 3.25Å; H99-T102 PolarHBondContact O-N 3.18Å; H99-T102 PolarHBondContact O-OG1 3.05Å; H99-D103 PolarHBondContact O-N 2.8Å |
| 100 | L | 89.7 | Confident | 87.7 | Confident | 4 Ų | 4 | 50.1 Ų | 50.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.3 | -36 | 175.9 | -68.1 | -176.7 | 0 | 0 | 0 | 112.3 | C74 F77 M78 E81 D96 T97 D103 F104 V181 M185 | C74-L100 PolarHBondContact SG-O 3.11Å; F77-L100 HydrophobicContact CB-CD1 4.38Å; M78-L100 HydrophobicContact CB-CB 4.28Å; M78-L100 HydrophobicContact CB-CD1 4.34Å; M78-L100 HydrophobicContact CG-CB 4.25Å; E81-L100 HydrophobicContact CG-CD1 4.5Å; E81-L100 VanDerWaalsContact OE2-CD1 3.24Å; E81-L100 WeakPolarHBondContact OE2-CD1 3.39Å; D96-L100 PolarHBondContact O-N 2.86Å; T97-L100 PolarHBondContact O-N 3.01Å; L100-D103 PolarHBondContact O-N 3.08Å; L100-F104 WeakPolarHBondContact O-CB 3.23Å; L100-F104 PolarHBondContact O-N 3.01Å; L100-V181 HydrophobicContact CD2-CG1 4.41Å; L100-M185 HydrophobicContact CD2-CE 4.28Å |
| 101 | L | 91.2 | Very high | 88.3 | Confident | 97 Ų | 97 | 51 Ų | 51 | 51% | 0.508 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 174.4 | 178.8 | 64 | 0 | 0 | 0 | 111.8 | M78 T97 A98 H99 F104 A105 | M78-L101 HydrophobicContact SD-CB 4.23Å; M78-L101 HydrophobicContact SD-CD1 4.05Å; T97-L101 PolarHBondContact O-N 2.9Å; A98-L101 PolarHBondContact O-N 2.95Å; H99-L101 PolarHBondContact O-N 3.25Å; L101-F104 PolarHBondContact O-N 3.05Å; L101-A105 WeakPolarHBondContact O-CB 3.32Å; L101-A105 PolarHBondContact O-N 3.48Å |
| 102 | T | 90.4 | Very high | 88.9 | Confident | 37 Ų | 37 | 49.4 Ų | 49.4 | 23% | 0.227 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 177 | 55.2 | 0 | 0 | 0 | 0 | 112.4 | A98 H99 A105 S106 V147 | A98-T102 PolarHBondContact O-N 3.36Å; H99-T102 PolarHBondContact O-N 3.18Å; H99-T102 PolarHBondContact O-OG1 3.05Å; T102-A105 PolarHBondContact O-N 3.44Å; T102-S106 PolarHBondContact O-N 3.3Å; T102-V147 HydrophobicContact CG2-CG2 3.68Å |
| 103 | D | 89.7 | Confident | 89.6 | Confident | 55 Ų | 55 | 48.3 Ų | 48.3 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 174.5 | -68 | -23.5 | 0 | 0 | 0 | 110.9 | H99 L100 A105 S106 F107 | H99-D103 PolarHBondContact O-N 2.8Å; L100-D103 PolarHBondContact O-N 3.08Å; D103-A105 VanDerWaalsContact C-N 3.34Å; D103-A105 PolarHBondContact O-N 3.46Å; D103-S106 WeakPolarHBondContact O-CB 3.46Å; D103-S106 PolarHBondContact O-N 3.11Å; D103-S106 VanDerWaalsContact O-N 3.13Å; D103-S106 PolarHBondContact O-OG 3.47Å; D103-F107 HydrophobicContact CB-CE2 4.33Å; D103-F107 HydrophobicContact CB-CZ 4.47Å; D103-F107 WeakPolarHBondContact O-CD2 3.28Å; D103-F107 WeakPolarHBondContact O-CG 3.45Å; D103-F107 PolarHBondContact O-N 3.32Å |
| 104 | F | 92 | Very high | 89.8 | Confident | 49 Ų | 49 | 48.4 Ų | 48.4 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -43.8 | 175 | 179.9 | -105.9 | 0 | 0 | 0 | 112.4 | L75 M78 L100 L101 S106 F107 L108 | L75-F104 HydrophobicContact CB-CD2 4.5Å; L75-F104 HydrophobicContact CB-CE2 4.15Å; M78-F104 HydrophobicContact CE-CB 3.41Å; M78-F104 VanDerWaalsContact CE-CB 3.41Å; M78-F104 HydrophobicContact CE-CD1 4.19Å; M78-F104 HydrophobicContact CE-CD2 4.37Å; M78-F104 HydrophobicContact CE-CG 3.75Å; L100-F104 WeakPolarHBondContact O-CB 3.23Å; L100-F104 PolarHBondContact O-N 3.01Å; L101-F104 PolarHBondContact O-N 3.05Å; F104-S106 VanDerWaalsContact C-N 3.31Å; F104-S106 PolarHBondContact O-N 3.22Å; F104-F107 PolarHBondContact O-N 3.18Å; F104-L108 PolarHBondContact O-N 2.57Å |
| 105 | A | 92.8 | Very high | 90.1 | Very high | 34 Ų | 34 | 47.3 Ų | 47.3 | 28% | 0.281 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L101 T102 D103 F107 L108 I109 L143 | L101-A105 WeakPolarHBondContact O-CB 3.32Å; L101-A105 PolarHBondContact O-N 3.48Å; T102-A105 PolarHBondContact O-N 3.44Å; D103-A105 VanDerWaalsContact C-N 3.34Å; D103-A105 PolarHBondContact O-N 3.46Å; A105-F107 PolarHBondContact O-N 3.1Å; A105-L108 PolarHBondContact O-N 2.99Å; A105-I109 VanDerWaalsContact O-CG1 3.3Å; A105-I109 WeakPolarHBondContact O-CG1 3.37Å; A105-I109 PolarHBondContact O-N 3.09Å; A105-L143 HydrophobicContact CB-CD2 4.29Å |
| 106 | S | 91.7 | Very high | 90.5 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 176.4 | 83.3 | 0 | 0 | 0 | 0 | 112.4 | T102 D103 F104 I109 S110 | T102-S106 PolarHBondContact O-N 3.3Å; D103-S106 WeakPolarHBondContact O-CB 3.46Å; D103-S106 PolarHBondContact O-N 3.11Å; D103-S106 VanDerWaalsContact O-N 3.13Å; D103-S106 PolarHBondContact O-OG 3.47Å; F104-S106 VanDerWaalsContact C-N 3.31Å; F104-S106 PolarHBondContact O-N 3.22Å; S106-I109 PolarHBondContact O-N 3.36Å; S106-S110 PolarHBondContact O-N 3.14Å; S106-S110 PolarHBondContact O-OG 2.96Å |
| 107 | F | 91.4 | Very high | 90.6 | Very high | 34 Ų | 34 | 45.4 Ų | 45.4 | 15% | 0.149 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 175.4 | -58.2 | -31.1 | 0 | 0 | 0 | 111.9 | L67 S71 C74 D103 F104 A105 S110 L111 M185 | L67-F107 HydrophobicContact CD2-CD1 4.45Å; S71-F107 WeakPolarHBondContact OG-CB 3.37Å; C74-F107 HydrophobicContact CB-CD2 4.38Å; C74-F107 HydrophobicContact CB-CE2 4.25Å; D103-F107 HydrophobicContact CB-CE2 4.33Å; D103-F107 HydrophobicContact CB-CZ 4.47Å; D103-F107 WeakPolarHBondContact O-CD2 3.28Å; D103-F107 WeakPolarHBondContact O-CG 3.45Å; D103-F107 PolarHBondContact O-N 3.32Å; F104-F107 PolarHBondContact O-N 3.18Å; A105-F107 PolarHBondContact O-N 3.1Å; F107-S110 WeakPolarHBondContact O-CB 3.41Å; F107-S110 PolarHBondContact O-N 3.25Å; F107-L111 WeakPolarHBondContact O-CB 3.42Å; F107-L111 WeakPolarHBondContact O-CG 3.44Å; F107-L111 PolarHBondContact O-N 3Å; F107-M185 HydrophobicContact CE2-SD 4.19Å |
| 108 | L | 93 | Very high | 90.5 | Very high | 81 Ų | 81 | 48.2 Ų | 48.2 | 42% | 0.424 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 176.4 | -176.1 | 62.5 | 0 | 0 | 0 | 111.7 | F104 A105 S110 L111 L112 | F104-L108 PolarHBondContact O-N 2.57Å; A105-L108 PolarHBondContact O-N 2.99Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.5Å; L108-L111 PolarHBondContact O-N 2.71Å; L108-L112 HydrophobicContact CG-CD1 4.3Å; L108-L112 WeakPolarHBondContact O-CB 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.36Å |
| 109 | I | 93.1 | Very high | 90.4 | Very high | 55 Ų | 55 | 51.7 Ų | 51.7 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.3 | -46.5 | 172.9 | -69.1 | 165.4 | 0 | 0 | 0 | 110 | A105 S106 L111 L112 A113 A139 L143 | A105-I109 VanDerWaalsContact O-CG1 3.3Å; A105-I109 WeakPolarHBondContact O-CG1 3.37Å; A105-I109 PolarHBondContact O-N 3.09Å; S106-I109 PolarHBondContact O-N 3.36Å; I109-L111 PolarHBondContact O-N 2.98Å; I109-L112 PolarHBondContact O-N 3.48Å; I109-A113 WeakPolarHBondContact O-CB 3.48Å; I109-A113 PolarHBondContact O-N 3.39Å; I109-A139 HydrophobicContact CG2-CB 4.06Å; I109-L143 HydrophobicContact CD1-CD2 4.33Å |
| 110 | S | 91.7 | Very high | 90.2 | Very high | 33 Ų | 33 | 54 Ų | 54 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 112.5 | S106 F107 L108 A113 L114 | S106-S110 PolarHBondContact O-N 3.14Å; S106-S110 PolarHBondContact O-OG 2.96Å; F107-S110 WeakPolarHBondContact O-CB 3.41Å; F107-S110 PolarHBondContact O-N 3.25Å; L108-S110 VanDerWaalsContact C-N 3.3Å; L108-S110 PolarHBondContact O-N 3.5Å; S110-A113 PolarHBondContact O-N 3.1Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.48Å |
| 111 | L | 91.7 | Very high | 90 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 175.4 | -78.7 | 172.6 | 0 | 0 | 0 | 112.5 | R64 L67 I68 S71 F107 L108 I109 A113 L114 F115 | R64-L111 HydrophobicContact CG-CD2 4.45Å; L67-L111 HydrophobicContact CB-CD2 3.57Å; L67-L111 HydrophobicContact CB-CG 3.99Å; L67-L111 HydrophobicContact CD1-CD2 4.45Å; I68-L111 HydrophobicContact CG1-CD1 4.32Å; I68-L111 HydrophobicContact CG1-CD2 3.8Å; S71-L111 WeakPolarHBondContact OG-CD1 3.34Å; F107-L111 WeakPolarHBondContact O-CB 3.42Å; F107-L111 WeakPolarHBondContact O-CG 3.44Å; F107-L111 PolarHBondContact O-N 3Å; L108-L111 PolarHBondContact O-N 2.71Å; I109-L111 PolarHBondContact O-N 2.98Å; L111-A113 VanDerWaalsContact C-N 3.34Å; L111-L114 PolarHBondContact O-N 3.29Å; L111-F115 VanDerWaalsContact O-CB 3.28Å; L111-F115 WeakPolarHBondContact O-CB 3.27Å; L111-F115 PolarHBondContact O-N 3.12Å |
| 112 | L | 93.7 | Very high | 89.9 | Confident | 102 Ų | 102 | 56 Ų | 56 | 53% | 0.534 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.2 | -73.1 | 172.8 | 0 | 0 | 0 | 111.2 | L108 I109 F115 L116 | L108-L112 HydrophobicContact CG-CD1 4.3Å; L108-L112 WeakPolarHBondContact O-CB 3.29Å; L108-L112 WeakPolarHBondContact O-CG 3.48Å; L108-L112 PolarHBondContact O-N 3.36Å; I109-L112 PolarHBondContact O-N 3.48Å; L112-F115 PolarHBondContact O-N 3.48Å; L112-L116 VanDerWaalsContact O-CB 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.25Å; L112-L116 PolarHBondContact O-N 3.05Å |
| 113 | A | 92.5 | Very high | 89.8 | Confident | 10 Ų | 10 | 64.8 Ų | 64.8 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I109 S110 L111 L116 A117 A132 | I109-A113 WeakPolarHBondContact O-CB 3.48Å; I109-A113 PolarHBondContact O-N 3.39Å; S110-A113 PolarHBondContact O-N 3.1Å; L111-A113 VanDerWaalsContact C-N 3.34Å; A113-L116 PolarHBondContact O-N 3.45Å; A113-A117 VanDerWaalsContact O-CB 3.28Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 3.39Å; A113-A132 WeakPolarHBondContact CB-O 3.45Å |
| 114 | L | 89 | Confident | 89.8 | Confident | 26 Ų | 26 | 73.5 Ų | 73.5 | 14% | 0.136 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 174.7 | -75.3 | 175.7 | 0 | 0 | 0 | 112.5 | A63 L67 S110 L111 L116 A117 S118 | A63-L114 HydrophobicContact CB-CD1 4.36Å; L67-L114 HydrophobicContact CD1-CD1 3.4Å; L67-L114 VanDerWaalsContact CD1-CD1 3.4Å; S110-L114 WeakPolarHBondContact O-CG 3.47Å; S110-L114 PolarHBondContact O-N 3.48Å; L111-L114 PolarHBondContact O-N 3.29Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.28Å; L114-A117 PolarHBondContact O-N 2.97Å; L114-S118 WeakPolarHBondContact O-CB 3.32Å; L114-S118 PolarHBondContact O-N 3.45Å |
| 115 | F | 90 | Very high | 89.6 | Confident | 95 Ų | 95 | 74.9 Ų | 74.9 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -44.2 | 176.2 | 173.4 | -108.7 | 0 | 0 | 0 | 111.2 | L111 L112 S118 | L111-F115 VanDerWaalsContact O-CB 3.28Å; L111-F115 WeakPolarHBondContact O-CB 3.27Å; L111-F115 PolarHBondContact O-N 3.12Å; L112-F115 PolarHBondContact O-N 3.48Å; F115-S118 PolarHBondContact O-N 2.99Å; F115-S118 PolarHBondContact O-OG 2.91Å |
| 116 | L | 90.4 | Very high | 89.4 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 28% | 0.283 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 178.4 | -166.6 | 56.9 | 0 | 0 | 0 | 111 | L112 A113 L114 S118 R119 W129 A132 | L112-L116 VanDerWaalsContact O-CB 3.26Å; L112-L116 WeakPolarHBondContact O-CB 3.25Å; L112-L116 PolarHBondContact O-N 3.05Å; A113-L116 PolarHBondContact O-N 3.45Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3.28Å; L116-S118 PolarHBondContact O-N 3.49Å; L116-R119 WeakPolarHBondContact O-CB 3.48Å; L116-R119 PolarHBondContact O-N 3.48Å; L116-R119 VanDerWaalsContact O-N 3.1Å; L116-W129 HydrophobicContact CD1-CD2 3.81Å; L116-W129 HydrophobicContact CD1-CE3 3.6Å; L116-W129 HydrophobicContact CD1-CG 4.36Å; L116-W129 HydrophobicContact CD1-CH2 4.38Å; L116-W129 HydrophobicContact CD1-CZ3 3.9Å; L116-W129 HydrophobicContact CD2-CE3 3.57Å; L116-W129 HydrophobicContact CD2-CZ3 3.68Å; L116-W129 HydrophobicContact CG-CB 4.37Å; L116-W129 HydrophobicContact CG-CD2 3.94Å; L116-W129 HydrophobicContact CG-CE3 3.42Å; L116-W129 VanDerWaalsContact CG-CE3 3.42Å; L116-W129 HydrophobicContact CG-CG 4.38Å; L116-W129 HydrophobicContact CG-CZ3 3.96Å; L116-W129 WeakPolarHBondContact O-CB 3.43Å; L116-A132 HydrophobicContact CB-CB 3.98Å; L116-A132 HydrophobicContact CD2-CB 3.87Å; L116-A132 HydrophobicContact CG-CB 3.92Å |
| 117 | A | 87.1 | Confident | 89 | Confident | 11 Ų | 11 | 81.9 Ų | 81.9 | 9% | 0.091 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -62.8 | -26.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A113 L114 R119 W129 H130 E133 | A113-A117 VanDerWaalsContact O-CB 3.28Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 3.39Å; L114-A117 PolarHBondContact O-N 2.97Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.28Å; A117-W129 WeakPolarHBondContact CA-O 3.29Å; A117-H130 PolarHBondContact O-ND1 3.31Å; A117-E133 HydrophobicContact CB-CB 4.46Å |
| 118 | S | 84.6 | Confident | 88.9 | Confident | 77 Ų | 77 | 80.6 Ų | 80.6 | 54% | 0.538 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.5 | 175.8 | 75.9 | 0 | 0 | 0 | 0 | 114.6 | L114 F115 L116 | L114-S118 WeakPolarHBondContact O-CB 3.32Å; L114-S118 PolarHBondContact O-N 3.45Å; F115-S118 PolarHBondContact O-N 2.99Å; F115-S118 PolarHBondContact O-OG 2.91Å; L116-S118 PolarHBondContact O-N 3.49Å |
| 119 | R | 85.9 | Confident | 88.6 | Confident | 123 Ų | 123 | 80.7 Ų | 80.7 | 46% | 0.464 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -70.7 | 144.8 | 179.4 | -68.5 | -160.7 | 176.1 | -163.6 | -1.6 | 111.4 | L116 A117 | L116-R119 WeakPolarHBondContact O-CB 3.48Å; L116-R119 PolarHBondContact O-N 3.48Å; L116-R119 VanDerWaalsContact O-N 3.1Å; A117-R119 VanDerWaalsContact C-N 3.3Å; A117-R119 PolarHBondContact O-N 3.28Å |
| 120 | P | 83.5 | Confident | 88.3 | Confident | 108 Ų | 108 | 80.1 Ų | 80.1 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 158.3 | 175.2 | 27.9 | -35.3 | 0 | 0 | 0 | 111.2 | ||
| 121 | S | 84.9 | Confident | 88.2 | Confident | 81 Ų | 81 | 82 Ų | 82 | 57% | 0.566 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 146.8 | 174.4 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | S126 | S121-S126 VanDerWaalsContact CB-O 3.32Å; S121-S126 WeakPolarHBondContact CB-O 3.48Å |
| 122 | T | 88.9 | Confident | 88.2 | Confident | 62 Ų | 62 | 81.3 Ų | 81.3 | 38% | 0.38 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -124.1 | 160.7 | -179.9 | 65.8 | 0 | 0 | 0 | 0 | 109 | R124 M125 S126 | T122-R124 PolarHBondContact O-N 3Å; T122-R124 VanDerWaalsContact O-N 3.09Å; T122-M125 PolarHBondContact N-O 3.12Å; T122-M125 VanDerWaalsContact N-O 3.14Å; T122-M125 CarbonylContact O-C 3.55Å; T122-M125 PolarHBondContact O-N 3.08Å; T122-M125 PolarHBondContact OG1-N 3.33Å; T122-S126 PolarHBondContact O-N 3.32Å |
| 123 | K | 88 | Confident | 88 | Confident | 221 Ų | 221 | 79.5 Ų | 79.5 | 96% | 0.961 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -26.9 | 178.5 | -66.4 | -175.2 | 179 | -177.9 | 0 | 113.9 | ||
| 124 | R | 89.5 | Confident | 87.9 | Confident | 238 Ų | 238 | 79.3 Ų | 79.3 | 90% | 0.898 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -28.6 | 175.3 | -68.7 | -172.9 | 70.5 | -176.5 | 1.7 | 113.3 | T122 | T122-R124 PolarHBondContact O-N 3Å; T122-R124 VanDerWaalsContact O-N 3.09Å |
| 125 | M | 89 | Confident | 88.1 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 39% | 0.389 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -123.9 | 79.6 | 180 | -62.3 | -63.6 | -70.7 | 0 | 0 | 108.3 | T122 F127 G128 W129 | T122-M125 PolarHBondContact N-O 3.12Å; T122-M125 VanDerWaalsContact N-O 3.14Å; T122-M125 CarbonylContact O-C 3.55Å; T122-M125 PolarHBondContact O-N 3.08Å; T122-M125 PolarHBondContact OG1-N 3.33Å; M125-F127 PolarHBondContact O-N 2.79Å; M125-G128 WeakPolarHBondContact O-CA 3.4Å; M125-G128 PolarHBondContact O-N 2.9Å; M125-W129 HydrophobicContact CG-CZ2 4.22Å |
| 126 | S | 87 | Confident | 88.3 | Confident | 90 Ų | 90 | 77.8 Ų | 77.8 | 63% | 0.629 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -41.1 | -170.7 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | S121 T122 G128 | S121-S126 VanDerWaalsContact CB-O 3.32Å; S121-S126 WeakPolarHBondContact CB-O 3.48Å; T122-S126 PolarHBondContact O-N 3.32Å; S126-G128 PolarHBondContact O-N 3.36Å |
| 127 | F | 84 | Confident | 88.3 | Confident | 108 Ų | 108 | 77 Ų | 77 | 47% | 0.474 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -1.9 | 173.2 | -68.1 | -71 | 0 | 0 | 0 | 113.8 | M125 H130 L306 | M125-F127 PolarHBondContact O-N 2.79Å; F127-H130 PolarHBondContact O-CD2 2.86Å; F127-L306 HydrophobicContact CB-CD2 4.47Å; F127-L306 HydrophobicContact CD1-CD1 4.22Å; F127-L306 HydrophobicContact CD1-CD2 4.4Å; F127-L306 HydrophobicContact CG-CD2 4.3Å |
| 128 | G | 88.5 | Confident | 88.6 | Confident | 8 Ų | 8 | 77.6 Ų | 77.6 | 8% | 0.082 | 40% | 0.397 | C | S | . | . | trans | 82.9 | -171.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M125 S126 H130 | M125-G128 WeakPolarHBondContact O-CA 3.4Å; M125-G128 PolarHBondContact O-N 2.9Å; S126-G128 PolarHBondContact O-N 3.36Å; G128-H130 VanDerWaalsContact C-N 3.3Å; G128-H130 PolarHBondContact O-N 3.15Å | ||
| 129 | W | 88.6 | Confident | 89 | Confident | 82 Ų | 82 | 75.8 Ų | 75.8 | 31% | 0.311 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -94.3 | 18.7 | -173.7 | -73.7 | 85.8 | 0 | 0 | 0 | 112.9 | L116 A117 M125 R131 A132 | L116-W129 HydrophobicContact CD1-CD2 3.81Å; L116-W129 HydrophobicContact CD1-CE3 3.6Å; L116-W129 HydrophobicContact CD1-CG 4.36Å; L116-W129 HydrophobicContact CD1-CH2 4.38Å; L116-W129 HydrophobicContact CD1-CZ3 3.9Å; L116-W129 HydrophobicContact CD2-CE3 3.57Å; L116-W129 HydrophobicContact CD2-CZ3 3.68Å; L116-W129 HydrophobicContact CG-CB 4.37Å; L116-W129 HydrophobicContact CG-CD2 3.94Å; L116-W129 HydrophobicContact CG-CE3 3.42Å; L116-W129 VanDerWaalsContact CG-CE3 3.42Å; L116-W129 HydrophobicContact CG-CG 4.38Å; L116-W129 HydrophobicContact CG-CZ3 3.96Å; L116-W129 WeakPolarHBondContact O-CB 3.43Å; A117-W129 WeakPolarHBondContact CA-O 3.29Å; M125-W129 HydrophobicContact CG-CZ2 4.22Å; W129-R131 VanDerWaalsContact C-N 3.28Å; W129-R131 PolarHBondContact O-N 3.2Å; W129-A132 WeakPolarHBondContact O-CB 3.26Å; W129-A132 PolarHBondContact O-N 3.26Å |
| 130 | H | 85.5 | Confident | 89.3 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 20% | 0.204 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -36 | -172.7 | -62.6 | -45.1 | 0 | 0 | 0 | 113.6 | A117 F127 G128 A132 E133 T307 K310 | A117-H130 PolarHBondContact O-ND1 3.31Å; F127-H130 PolarHBondContact O-CD2 2.86Å; G128-H130 VanDerWaalsContact C-N 3.3Å; G128-H130 PolarHBondContact O-N 3.15Å; H130-A132 PolarHBondContact O-N 3.1Å; H130-A132 VanDerWaalsContact O-N 3.14Å; H130-E133 PolarHBondContact O-N 3.38Å; H130-T307 HydrophobicContact CB-CG2 3.59Å; H130-T307 VanDerWaalsContact O-CG2 3.31Å; H130-T307 WeakPolarHBondContact O-CG2 3.5Å; H130-K310 PolarHBondContact CE1-NZ 3.05Å; H130-K310 PolarHBondContact NE2-NZ 2.98Å |
| 131 | R | 90.4 | Very high | 89.8 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 27% | 0.272 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.4 | 175.6 | -68.9 | -172.3 | -177.7 | -168.6 | 8.6 | 114.1 | W129 E133 V134 V135 E274 L306 | W129-R131 VanDerWaalsContact C-N 3.28Å; W129-R131 PolarHBondContact O-N 3.2Å; R131-E133 PolarHBondContact O-N 3.36Å; R131-V134 PolarHBondContact O-N 2.97Å; R131-V134 VanDerWaalsContact O-N 3.16Å; R131-V135 WeakPolarHBondContact O-CG2 3.37Å; R131-V135 PolarHBondContact O-N 3.2Å; R131-V135 VanDerWaalsContact O-N 3.11Å; R131-E274 IonicContact CZ-OE1 3.84Å; R131-E274 IonicContact NH1-OE1 3.56Å; R131-E274 PolarHBondContact NH1-OE1 3.32Å; R131-E274 VanDerWaalsContact NH1-OE1 3.11Å; R131-E274 IonicContact NH2-OE1 2.9Å; R131-E274 PolarHBondContact NH2-OE1 3.22Å; R131-L306 WeakPolarHBondContact CG-O 3.28Å |
| 132 | A | 91.2 | Very high | 90.2 | Very high | 16 Ų | 16 | 67 Ų | 67 | 13% | 0.132 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.2 | -31.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A113 L116 W129 H130 V135 G136 | A113-A132 WeakPolarHBondContact CB-O 3.45Å; L116-A132 HydrophobicContact CB-CB 3.98Å; L116-A132 HydrophobicContact CD2-CB 3.87Å; L116-A132 HydrophobicContact CG-CB 3.92Å; W129-A132 WeakPolarHBondContact O-CB 3.26Å; W129-A132 PolarHBondContact O-N 3.26Å; H130-A132 PolarHBondContact O-N 3.1Å; H130-A132 VanDerWaalsContact O-N 3.14Å; A132-V135 PolarHBondContact O-N 3.3Å; A132-G136 PolarHBondContact O-N 3.23Å |
| 133 | E | 88.7 | Confident | 90.4 | Very high | 64 Ų | 64 | 66.1 Ų | 66.1 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 174.1 | -174.2 | -175.2 | 166 | 0 | 0 | 111.3 | A117 H130 R131 V135 G136 A137 | A117-E133 HydrophobicContact CB-CB 4.46Å; H130-E133 PolarHBondContact O-N 3.38Å; R131-E133 PolarHBondContact O-N 3.36Å; E133-V135 VanDerWaalsContact C-N 3.35Å; E133-V135 PolarHBondContact O-N 3.07Å; E133-G136 PolarHBondContact O-N 3.22Å; E133-A137 PolarHBondContact O-N 3.49Å |
| 134 | V | 92 | Very high | 90.6 | Very high | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 179.6 | -177 | 0 | 0 | 0 | 0 | 111 | R131 G136 A137 L138 A268 V271 L272 | R131-V134 PolarHBondContact O-N 2.97Å; R131-V134 VanDerWaalsContact O-N 3.16Å; V134-G136 VanDerWaalsContact C-N 3.34Å; V134-G136 PolarHBondContact O-N 3.13Å; V134-A137 PolarHBondContact O-N 2.84Å; V134-L138 HydrophobicContact CG1-CD1 4.36Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.13Å; V134-A268 HydrophobicContact CG1-CB 3.75Å; V134-A268 WeakPolarHBondContact CG1-O 3.48Å; V134-V271 HydrophobicContact CG1-CB 4.26Å; V134-V271 HydrophobicContact CG2-CB 4.22Å; V134-V271 HydrophobicContact CG2-CG1 3.8Å; V134-L272 HydrophobicContact CG1-CD2 4.37Å; V134-L272 HydrophobicContact CG1-CG 4.2Å |
| 135 | V | 92.9 | Very high | 90.8 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 176.1 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | R131 A132 E133 L138 A139 | R131-V135 WeakPolarHBondContact O-CG2 3.37Å; R131-V135 PolarHBondContact O-N 3.2Å; R131-V135 VanDerWaalsContact O-N 3.11Å; A132-V135 PolarHBondContact O-N 3.3Å; E133-V135 VanDerWaalsContact C-N 3.35Å; E133-V135 PolarHBondContact O-N 3.07Å; V135-L138 PolarHBondContact O-N 3.31Å; V135-A139 WeakPolarHBondContact O-CB 3.5Å; V135-A139 PolarHBondContact O-N 3.36Å |
| 136 | G | 92.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -40.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A132 E133 V134 A139 S140 | A132-G136 PolarHBondContact O-N 3.23Å; E133-G136 PolarHBondContact O-N 3.22Å; V134-G136 VanDerWaalsContact C-N 3.34Å; V134-G136 PolarHBondContact O-N 3.13Å; G136-A139 PolarHBondContact O-N 3.24Å; G136-S140 WeakPolarHBondContact O-CB 3.45Å; G136-S140 PolarHBondContact O-N 2.87Å; G136-S140 PolarHBondContact O-OG 3.39Å |
| 137 | A | 90.8 | Very high | 91.3 | Very high | 38 Ų | 38 | 50.1 Ų | 50.1 | 31% | 0.314 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E133 V134 S140 V141 | E133-A137 PolarHBondContact O-N 3.49Å; V134-A137 PolarHBondContact O-N 2.84Å; A137-S140 PolarHBondContact O-N 2.96Å; A137-V141 WeakPolarHBondContact O-CG2 3.45Å; A137-V141 PolarHBondContact O-N 2.93Å |
| 138 | L | 94 | Very high | 91.8 | Very high | 22 Ų | 22 | 46.1 Ų | 46.1 | 12% | 0.115 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.5 | -74.3 | 168.9 | 0 | 0 | 0 | 112.4 | V134 V135 S140 V141 L142 L265 A268 L272 | V134-L138 HydrophobicContact CG1-CD1 4.36Å; V134-L138 WeakPolarHBondContact O-CG 3.39Å; V134-L138 PolarHBondContact O-N 3.13Å; V135-L138 PolarHBondContact O-N 3.31Å; L138-S140 VanDerWaalsContact C-N 3.25Å; L138-S140 PolarHBondContact O-N 3.35Å; L138-V141 PolarHBondContact O-N 3.46Å; L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.32Å; L138-L142 PolarHBondContact O-N 2.85Å; L138-L265 HydrophobicContact CD2-CD1 3.42Å; L138-L265 VanDerWaalsContact CD2-CD1 3.42Å; L138-A268 HydrophobicContact CD1-CB 4.15Å; L138-A268 HydrophobicContact CD2-CB 3.52Å; L138-A268 HydrophobicContact CG-CB 3.63Å; L138-L272 HydrophobicContact CD1-CD1 3.27Å; L138-L272 HydrophobicContact CD1-CG 4.09Å |
| 139 | A | 93.6 | Very high | 92 | Very high | 40 Ų | 40 | 47.7 Ų | 47.7 | 33% | 0.331 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I109 V135 G136 L142 L143 | I109-A139 HydrophobicContact CG2-CB 4.06Å; V135-A139 WeakPolarHBondContact O-CB 3.5Å; V135-A139 PolarHBondContact O-N 3.36Å; G136-A139 PolarHBondContact O-N 3.24Å; A139-L142 PolarHBondContact O-N 3.34Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.49Å |
| 140 | S | 92.4 | Very high | 92.2 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 9% | 0.091 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 176.9 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | G136 A137 L138 L143 I144 | G136-S140 WeakPolarHBondContact O-CB 3.45Å; G136-S140 PolarHBondContact O-N 2.87Å; G136-S140 PolarHBondContact O-OG 3.39Å; A137-S140 PolarHBondContact O-N 2.96Å; L138-S140 VanDerWaalsContact C-N 3.25Å; L138-S140 PolarHBondContact O-N 3.35Å; S140-L143 WeakPolarHBondContact O-CB 3.3Å; S140-L143 PolarHBondContact O-N 3.44Å; S140-I144 WeakPolarHBondContact O-CG1 3.38Å; S140-I144 PolarHBondContact O-N 3.26Å |
| 141 | V | 93.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.8 | -43.1 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | A137 L138 L143 I144 W145 I264 L265 | A137-V141 WeakPolarHBondContact O-CG2 3.45Å; A137-V141 PolarHBondContact O-N 2.93Å; L138-V141 PolarHBondContact O-N 3.46Å; V141-L143 VanDerWaalsContact C-N 3.32Å; V141-L143 PolarHBondContact O-N 3.34Å; V141-I144 WeakPolarHBondContact O-CB 3.45Å; V141-I144 PolarHBondContact O-N 3.33Å; V141-W145 PolarHBondContact O-N 3.21Å; V141-I264 HydrophobicContact CG2-CB 4.36Å; V141-I264 HydrophobicContact CG2-CG2 3.88Å; V141-L265 HydrophobicContact CG1-CB 4.44Å |
| 142 | L | 93.6 | Very high | 92.6 | Very high | 108 Ų | 108 | 46.9 Ų | 46.9 | 57% | 0.565 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -63.9 | -37.5 | 176.5 | -69.7 | 174.4 | 0 | 0 | 0 | 112 | L138 A139 W145 L146 | L138-L142 VanDerWaalsContact O-CG 3.31Å; L138-L142 WeakPolarHBondContact O-CG 3.32Å; L138-L142 PolarHBondContact O-N 2.85Å; A139-L142 PolarHBondContact O-N 3.34Å; L142-W145 PolarHBondContact O-N 3.04Å; L142-L146 WeakPolarHBondContact O-CB 3.34Å; L142-L146 PolarHBondContact O-N 2.83Å |
| 143 | L | 92.3 | Very high | 92.7 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 22% | 0.22 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 173.6 | -176 | 64.9 | 0 | 0 | 0 | 111.4 | A105 I109 A139 S140 V141 W145 L146 V147 | A105-L143 HydrophobicContact CB-CD2 4.29Å; I109-L143 HydrophobicContact CD1-CD2 4.33Å; A139-L143 WeakPolarHBondContact O-CB 3.28Å; A139-L143 PolarHBondContact O-N 3.49Å; S140-L143 WeakPolarHBondContact O-CB 3.3Å; S140-L143 PolarHBondContact O-N 3.44Å; V141-L143 VanDerWaalsContact C-N 3.32Å; V141-L143 PolarHBondContact O-N 3.34Å; L143-W145 VanDerWaalsContact C-N 3.32Å; L143-W145 PolarHBondContact O-N 2.98Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 3.4Å; L143-V147 WeakPolarHBondContact O-CG2 3.42Å; L143-V147 PolarHBondContact O-N 3.27Å |
| 144 | I | 91.9 | Very high | 92.7 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 35% | 0.349 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 175 | -68 | 164.3 | 0 | 0 | 0 | 110.8 | S140 V141 V147 T148 V257 T261 | S140-I144 WeakPolarHBondContact O-CG1 3.38Å; S140-I144 PolarHBondContact O-N 3.26Å; V141-I144 WeakPolarHBondContact O-CB 3.45Å; V141-I144 PolarHBondContact O-N 3.33Å; I144-V147 PolarHBondContact O-N 3.14Å; I144-T148 VanDerWaalsContact O-CB 3.28Å; I144-T148 WeakPolarHBondContact O-CB 3.42Å; I144-T148 PolarHBondContact O-N 2.92Å; I144-T148 PolarHBondContact O-OG1 3.37Å; I144-V257 HydrophobicContact CG2-CG1 3.51Å; I144-T261 HydrophobicContact CG2-CG2 4.22Å |
| 145 | W | 94.5 | Very high | 92.5 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 177.9 | -80.1 | 28.8 | 0 | 0 | 0 | 112.4 | V141 L142 L143 T148 G149 L258 T261 L262 L265 | V141-W145 PolarHBondContact O-N 3.21Å; L142-W145 PolarHBondContact O-N 3.04Å; L143-W145 VanDerWaalsContact C-N 3.32Å; L143-W145 PolarHBondContact O-N 2.98Å; W145-T148 PolarHBondContact O-N 2.76Å; W145-G149 PolarHBondContact O-N 2.83Å; W145-L258 HydrophobicContact CD2-CD1 4.18Å; W145-L258 VanDerWaalsContact CE2-CD1 3.45Å; W145-L258 HydrophobicContact CH2-CD1 3.82Å; W145-L258 HydrophobicContact CZ2-CD1 3.26Å; W145-L258 HydrophobicContact CZ3-CD1 4.45Å; W145-T261 PolarHBondContact NE1-OG1 2.68Å; W145-L262 HydrophobicContact CH2-CD2 3.83Å; W145-L262 HydrophobicContact CZ2-CD2 3.69Å; W145-L262 HydrophobicContact CZ2-CG 4.15Å; W145-L265 HydrophobicContact CH2-CD2 4.06Å; W145-L265 HydrophobicContact CZ2-CD2 4.14Å |
| 146 | L | 94.1 | Very high | 92.4 | Very high | 107 Ų | 107 | 52.6 Ų | 52.6 | 56% | 0.56 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -60.5 | -51.3 | 174.4 | 178.4 | 64.6 | 0 | 0 | 0 | 110.9 | L142 L143 T148 G149 I150 | L142-L146 WeakPolarHBondContact O-CB 3.34Å; L142-L146 PolarHBondContact O-N 2.83Å; L143-L146 WeakPolarHBondContact O-CB 3.41Å; L143-L146 PolarHBondContact O-N 3.4Å; L146-T148 PolarHBondContact O-N 2.76Å; L146-G149 PolarHBondContact O-N 3.33Å; L146-I150 HydrophobicContact CD1-CD1 4.38Å; L146-I150 HydrophobicContact CG-CD1 4.21Å; L146-I150 WeakPolarHBondContact O-CG1 3.28Å; L146-I150 PolarHBondContact O-N 3.11Å |
| 147 | V | 92.2 | Very high | 92.2 | Very high | 27 Ų | 27 | 55 Ų | 55 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | T102 L143 I144 G149 I150 L151 | T102-V147 HydrophobicContact CG2-CG2 3.68Å; L143-V147 WeakPolarHBondContact O-CG2 3.42Å; L143-V147 PolarHBondContact O-N 3.27Å; I144-V147 PolarHBondContact O-N 3.14Å; V147-G149 PolarHBondContact O-N 2.88Å; V147-I150 PolarHBondContact O-N 3.46Å; V147-L151 PolarHBondContact O-N 3.24Å |
| 148 | T | 93.1 | Very high | 91.9 | Very high | 24 Ų | 24 | 57.4 Ų | 57.4 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -43.5 | 176.5 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | I144 W145 L146 I150 L151 V152 | I144-T148 VanDerWaalsContact O-CB 3.28Å; I144-T148 WeakPolarHBondContact O-CB 3.42Å; I144-T148 PolarHBondContact O-N 2.92Å; I144-T148 PolarHBondContact O-OG1 3.37Å; W145-T148 PolarHBondContact O-N 2.76Å; L146-T148 PolarHBondContact O-N 2.76Å; T148-I150 VanDerWaalsContact C-N 3.34Å; T148-I150 PolarHBondContact O-N 2.95Å; T148-L151 PolarHBondContact O-N 3.46Å; T148-V152 HydrophobicContact CG2-CG2 4.48Å; T148-V152 WeakPolarHBondContact O-CG2 3.41Å; T148-V152 PolarHBondContact O-N 3.19Å |
| 149 | G | 94.4 | Very high | 91.5 | Very high | 41 Ų | 41 | 59.4 Ų | 59.4 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W145 L146 V147 V152 Y153 | W145-G149 PolarHBondContact O-N 2.83Å; L146-G149 PolarHBondContact O-N 3.33Å; V147-G149 PolarHBondContact O-N 2.88Å; G149-V152 PolarHBondContact O-N 3.01Å; G149-Y153 WeakPolarHBondContact O-CB 3.46Å; G149-Y153 PolarHBondContact O-N 3.48Å |
| 150 | I | 92.1 | Very high | 91.2 | Very high | 87 Ų | 87 | 63.1 Ų | 63.1 | 45% | 0.446 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 174.3 | -66.7 | 164.7 | 0 | 0 | 0 | 110.5 | L146 V147 T148 V152 Y153 L154 | L146-I150 HydrophobicContact CD1-CD1 4.38Å; L146-I150 HydrophobicContact CG-CD1 4.21Å; L146-I150 WeakPolarHBondContact O-CG1 3.28Å; L146-I150 PolarHBondContact O-N 3.11Å; V147-I150 PolarHBondContact O-N 3.46Å; T148-I150 VanDerWaalsContact C-N 3.34Å; T148-I150 PolarHBondContact O-N 2.95Å; I150-V152 PolarHBondContact O-N 3.14Å; I150-Y153 PolarHBondContact O-N 3.21Å; I150-L154 HydrophobicContact CG2-CD1 4.08Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 WeakPolarHBondContact O-CG 3.04Å; I150-L154 PolarHBondContact O-N 2.94Å |
| 151 | L | 90.9 | Very high | 90.8 | Very high | 56 Ų | 56 | 68.6 Ų | 68.6 | 29% | 0.293 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 178 | -77.4 | -179.2 | 0 | 0 | 0 | 112.7 | V147 T148 L154 A155 T250 | V147-L151 PolarHBondContact O-N 3.24Å; T148-L151 PolarHBondContact O-N 3.46Å; L151-L154 PolarHBondContact O-N 3.08Å; L151-A155 WeakPolarHBondContact O-CB 3.26Å; L151-A155 PolarHBondContact O-N 3.43Å; L151-T250 HydrophobicContact CB-CG2 4.23Å |
| 152 | V | 93.5 | Very high | 89.9 | Confident | 39 Ų | 39 | 73.8 Ų | 73.8 | 24% | 0.236 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.9 | 170 | 0 | 0 | 0 | 0 | 110.8 | T148 G149 I150 L154 A155 V156 F251 S254 | T148-V152 HydrophobicContact CG2-CG2 4.48Å; T148-V152 WeakPolarHBondContact O-CG2 3.41Å; T148-V152 PolarHBondContact O-N 3.19Å; G149-V152 PolarHBondContact O-N 3.01Å; I150-V152 PolarHBondContact O-N 3.14Å; V152-L154 PolarHBondContact O-N 2.9Å; V152-A155 WeakPolarHBondContact O-CB 3.44Å; V152-A155 PolarHBondContact O-N 3.35Å; V152-V156 WeakPolarHBondContact O-CG2 3.4Å; V152-V156 PolarHBondContact O-N 3Å; V152-F251 HydrophobicContact CG1-CD1 4.27Å; V152-F251 HydrophobicContact CG1-CE1 3.81Å; V152-S254 VanDerWaalsContact CG2-OG 3.23Å; V152-S254 WeakPolarHBondContact CG2-OG 3.42Å |
| 153 | Y | 93.2 | Very high | 88.5 | Confident | 152 Ų | 152 | 75.2 Ų | 75.2 | 60% | 0.596 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60 | -44.9 | 176.4 | 175.8 | -105.9 | 0 | 0 | 0 | 112 | G149 I150 A155 V156 I157 | G149-Y153 WeakPolarHBondContact O-CB 3.46Å; G149-Y153 PolarHBondContact O-N 3.48Å; I150-Y153 PolarHBondContact O-N 3.21Å; Y153-A155 VanDerWaalsContact C-N 3.34Å; Y153-A155 PolarHBondContact O-N 3.27Å; Y153-V156 PolarHBondContact O-N 3.44Å; Y153-I157 HydrophobicContact CD1-CD1 3.9Å; Y153-I157 HydrophobicContact CE1-CD1 3.31Å; Y153-I157 HydrophobicContact CE1-CG1 4.44Å; Y153-I157 HydrophobicContact CE2-CD1 4.03Å; Y153-I157 HydrophobicContact CE2-CG1 4.5Å; Y153-I157 HydrophobicContact CG-CD1 4.49Å; Y153-I157 PolarHBondContact O-N 2.89Å |
| 154 | L | 89.2 | Confident | 87.1 | Confident | 80 Ų | 80 | 75 Ų | 75 | 42% | 0.419 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -38.3 | 175 | -69.3 | 175.9 | 0 | 0 | 0 | 112.1 | I150 L151 V152 I157 R158 | I150-L154 HydrophobicContact CG2-CD1 4.08Å; I150-L154 HydrophobicContact CG2-CG 4.42Å; I150-L154 WeakPolarHBondContact O-CG 3.04Å; I150-L154 PolarHBondContact O-N 2.94Å; L151-L154 PolarHBondContact O-N 3.08Å; V152-L154 PolarHBondContact O-N 2.9Å; L154-I157 PolarHBondContact O-N 2.88Å; L154-R158 WeakPolarHBondContact O-CB 3.48Å; L154-R158 PolarHBondContact O-N 3.44Å |
| 155 | A | 87.8 | Confident | 85.6 | Confident | 2 Ų | 2 | 80.8 Ų | 80.8 | 2% | 0.017 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L151 V152 Y153 R158 I159 P247 T250 F251 | L151-A155 WeakPolarHBondContact O-CB 3.26Å; L151-A155 PolarHBondContact O-N 3.43Å; V152-A155 WeakPolarHBondContact O-CB 3.44Å; V152-A155 PolarHBondContact O-N 3.35Å; Y153-A155 VanDerWaalsContact C-N 3.34Å; Y153-A155 PolarHBondContact O-N 3.27Å; A155-R158 WeakPolarHBondContact O-CB 3.42Å; A155-R158 PolarHBondContact O-N 3.26Å; A155-I159 WeakPolarHBondContact O-CG1 3.4Å; A155-I159 PolarHBondContact O-N 3.32Å; A155-P247 HydrophobicContact CB-CB 4.36Å; A155-T250 HydrophobicContact CB-CG2 3.97Å; A155-F251 HydrophobicContact CB-CZ 4.47Å |
| 156 | V | 91 | Very high | 84.2 | Confident | 57 Ų | 57 | 80.7 Ų | 80.7 | 35% | 0.345 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 174.1 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | V152 Y153 R158 I159 I160 F251 | V152-V156 WeakPolarHBondContact O-CG2 3.4Å; V152-V156 PolarHBondContact O-N 3Å; Y153-V156 PolarHBondContact O-N 3.44Å; V156-R158 VanDerWaalsContact C-N 3.26Å; V156-R158 PolarHBondContact O-N 3.49Å; V156-I159 PolarHBondContact O-N 3.47Å; V156-I160 HydrophobicContact CG1-CD1 3.94Å; V156-I160 WeakPolarHBondContact O-CG1 3.49Å; V156-I160 PolarHBondContact O-N 3.32Å; V156-I160 VanDerWaalsContact O-N 3.11Å; V156-F251 HydrophobicContact CG2-CE1 4.11Å; V156-F251 HydrophobicContact CG2-CZ 3.75Å |
| 157 | I | 88.8 | Confident | 83.2 | Confident | 55 Ų | 55 | 80 Ų | 80 | 28% | 0.282 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 176.3 | -74 | 176.3 | 0 | 0 | 0 | 111.2 | Y153 L154 I159 I160 H161 | Y153-I157 HydrophobicContact CD1-CD1 3.9Å; Y153-I157 HydrophobicContact CE1-CD1 3.31Å; Y153-I157 HydrophobicContact CE1-CG1 4.44Å; Y153-I157 HydrophobicContact CE2-CD1 4.03Å; Y153-I157 HydrophobicContact CE2-CG1 4.5Å; Y153-I157 HydrophobicContact CG-CD1 4.49Å; Y153-I157 PolarHBondContact O-N 2.89Å; L154-I157 PolarHBondContact O-N 2.88Å; I157-I159 VanDerWaalsContact C-N 3.33Å; I157-I159 PolarHBondContact O-N 3.27Å; I157-I160 PolarHBondContact O-N 3.05Å; I157-H161 PolarHBondContact O-N 2.93Å; I157-H161 PolarHBondContact O-ND1 2.86Å |
| 158 | R | 83.9 | Confident | 82.3 | Confident | 89 Ų | 89 | 81 Ų | 81 | 34% | 0.336 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 179.2 | -176.9 | 176.6 | -67.4 | 165.8 | 3.5 | 111.6 | L154 A155 V156 N162 Y164 D246 P247 | L154-R158 WeakPolarHBondContact O-CB 3.48Å; L154-R158 PolarHBondContact O-N 3.44Å; A155-R158 WeakPolarHBondContact O-CB 3.42Å; A155-R158 PolarHBondContact O-N 3.26Å; V156-R158 VanDerWaalsContact C-N 3.26Å; V156-R158 PolarHBondContact O-N 3.49Å; R158-N162 PolarHBondContact O-N 3.29Å; R158-Y164 HydrophobicContact CG-CD1 4.11Å; R158-Y164 HydrophobicContact CG-CE1 3.23Å; R158-Y164 PolarHBondContact O-OH 2.97Å; R158-D246 WeakPolarHBondContact CD-OD2 3.22Å; R158-D246 IonicContact CZ-OD2 3.64Å; R158-D246 IonicContact NE-OD2 3.94Å; R158-D246 IonicContact NH1-OD1 3.81Å; R158-D246 IonicContact NH1-OD2 2.64Å; R158-D246 PolarHBondContact NH1-OD2 3.35Å; R158-P247 HydrophobicContact CG-CG 4.31Å |
| 159 | I | 85.5 | Confident | 81.6 | Confident | 63 Ų | 63 | 87.5 Ų | 87.5 | 32% | 0.323 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -64.8 | -44.3 | 173.5 | -70.2 | 170.2 | 0 | 0 | 0 | 111.9 | A155 V156 I157 P247 F251 | A155-I159 WeakPolarHBondContact O-CG1 3.4Å; A155-I159 PolarHBondContact O-N 3.32Å; V156-I159 PolarHBondContact O-N 3.47Å; I157-I159 VanDerWaalsContact C-N 3.33Å; I157-I159 PolarHBondContact O-N 3.27Å; I159-P247 HydrophobicContact CD1-CB 3.67Å; I159-P247 HydrophobicContact CD1-CG 4.42Å; I159-P247 HydrophobicContact CG1-CB 3.69Å; I159-P247 HydrophobicContact CG1-CG 3.88Å; I159-F251 HydrophobicContact CD1-CE2 3.73Å; I159-F251 HydrophobicContact CD1-CZ 4.34Å |
| 160 | I | 87.9 | Confident | 80.9 | Confident | 118 Ų | 118 | 88.1 Ų | 88.1 | 61% | 0.605 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -70.1 | -45.3 | -174.5 | -66.3 | 168.7 | 0 | 0 | 0 | 111.7 | V156 I157 | V156-I160 HydrophobicContact CG1-CD1 3.94Å; V156-I160 WeakPolarHBondContact O-CG1 3.49Å; V156-I160 PolarHBondContact O-N 3.32Å; V156-I160 VanDerWaalsContact O-N 3.11Å; I157-I160 PolarHBondContact O-N 3.05Å |
| 161 | H | 84.3 | Confident | 80.2 | Confident | 128 Ų | 128 | 87.1 Ų | 87.1 | 59% | 0.593 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -84.5 | -15.3 | -170.8 | -68.2 | 84.3 | 0 | 0 | 0 | 114.3 | I157 N163 | I157-H161 PolarHBondContact O-N 2.93Å; I157-H161 PolarHBondContact O-ND1 2.86Å; H161-N163 PolarHBondContact O-N 3.5Å |
| 162 | N | 72.9 | Confident | 79.8 | Confident | 116 Ų | 116 | 90.4 Ų | 90.4 | 62% | 0.62 | 45% | 0.454 | S | S | * | . | trans | 48.3 | 17.8 | -178.2 | -79.2 | -46.2 | 0 | 0 | 0 | 116.1 | R158 Y164 | R158-N162 PolarHBondContact O-N 3.29Å; N162-Y164 VanDerWaalsContact C-CD2 3.44Å; N162-Y164 HydrophobicContact CB-CE2 4.35Å; N162-Y164 VanDerWaalsContact O-CD2 3.24Å; N162-Y164 WeakPolarHBondContact O-CD2 3.48Å; N162-Y164 PolarHBondContact O-N 3.27Å | ||
| 163 | N | 64.7 | Low | 79.3 | Confident | 138 Ų | 138 | 93.8 Ų | 93.8 | 74% | 0.738 | 47% | 0.47 | S | S | * | . | trans | -91.2 | 96.5 | -177.2 | -166.7 | 4.8 | 0 | 0 | 0 | 109.3 | H161 | H161-N163 PolarHBondContact O-N 3.5Š| ||
| 164 | Y | 63 | Low | 78.7 | Confident | 37 Ų | 37 | 87.4 Ų | 87.4 | 15% | 0.145 | 45% | 0.447 | C | S | . | . | trans | -123.4 | 94.2 | -177.3 | -56.8 | -92.1 | 0 | 0 | 0 | 110.2 | R158 N162 I166 K243 | R158-Y164 HydrophobicContact CG-CD1 4.11Å; R158-Y164 HydrophobicContact CG-CE1 3.23Å; R158-Y164 PolarHBondContact O-OH 2.97Å; N162-Y164 VanDerWaalsContact C-CD2 3.44Å; N162-Y164 HydrophobicContact CB-CE2 4.35Å; N162-Y164 VanDerWaalsContact O-CD2 3.24Å; N162-Y164 WeakPolarHBondContact O-CD2 3.48Å; N162-Y164 PolarHBondContact O-N 3.27Å; Y164-I166 HydrophobicContact CD1-CD1 4.4Å; Y164-K243 HydrophobicContact CD2-CD 4.13Å; Y164-K243 HydrophobicContact CG-CD 4.41Å | ||
| 165 | E | 60.8 | Low | 78.5 | Confident | 191 Ų | 191 | 86.4 Ų | 86.4 | 89% | 0.893 | 45% | 0.447 | S | S | * | . | trans | -110.5 | 87.5 | 158.4 | -69.3 | -162.5 | 167 | 0 | 0 | 108.4 | ||||
| 166 | I | 65.1 | Low | 78.5 | Confident | 87 Ų | 87 | 89.3 Ų | 89.3 | 45% | 0.446 | 47% | 0.47 | S | S | . | . | trans | -110.8 | 122.3 | 176.8 | -57.2 | 172.6 | 0 | 0 | 0 | 107.6 | Y164 G168 M171 | Y164-I166 HydrophobicContact CD1-CD1 4.4Å; I166-G168 PolarHBondContact O-N 2.98Å; I166-M171 HydrophobicContact CG2-CB 4Å; I166-M171 HydrophobicContact CG2-CG 4.35Å; I166-M171 HydrophobicContact CG2-SD 3.62Å | ||
| 167 | N | 72 | Confident | 78.2 | Confident | 94 Ų | 94 | 89.9 Ų | 89.9 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | trans | -71.9 | 95.1 | 170 | -173.1 | -25.1 | 0 | 0 | 0 | 109 | K169 I170 M171 | N167-K169 PolarHBondContact O-N 2.87Å; N167-K169 VanDerWaalsContact O-N 3.09Å; N167-K169 PolarHBondContact OD1-N 3.48Å; N167-I170 HydrophobicContact CB-CB 4.39Å; N167-I170 HydrophobicContact CB-CD1 4.11Å; N167-I170 HydrophobicContact CB-CG1 4.27Å; N167-I170 WeakPolarHBondContact ND2-CD1 3.1Å; N167-I170 PolarHBondContact O-N 3.28Å; N167-M171 PolarHBondContact O-N 2.95Å | ||
| 168 | G | 73.4 | Confident | 78 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.4 | -27.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I166 L172 | I166-G168 PolarHBondContact O-N 2.98Å; G168-L172 VanDerWaalsContact O-CB 3.31Å; G168-L172 WeakPolarHBondContact O-CB 3.31Å; G168-L172 PolarHBondContact O-N 2.92Å |
| 169 | K | 79.8 | Confident | 78.2 | Confident | 159 Ų | 159 | 87.3 Ų | 87.3 | 69% | 0.691 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -68.2 | -46.7 | 175.9 | -67.8 | -175.8 | -179.9 | -179.9 | 0 | 111.7 | N167 L172 I173 | N167-K169 PolarHBondContact O-N 2.87Å; N167-K169 VanDerWaalsContact O-N 3.09Å; N167-K169 PolarHBondContact OD1-N 3.48Å; K169-L172 PolarHBondContact O-N 2.9Å; K169-I173 WeakPolarHBondContact O-CG1 3.45Å; K169-I173 PolarHBondContact O-N 3.5Å |
| 170 | I | 78.7 | Confident | 78.4 | Confident | 55 Ų | 55 | 85.6 Ų | 85.6 | 28% | 0.282 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.6 | -46.8 | 179 | -60.4 | 175.6 | 0 | 0 | 0 | 109.1 | I93 N167 L172 I173 T174 | I93-I170 HydrophobicContact CG1-CG2 4.45Å; N167-I170 HydrophobicContact CB-CB 4.39Å; N167-I170 HydrophobicContact CB-CD1 4.11Å; N167-I170 HydrophobicContact CB-CG1 4.27Å; N167-I170 WeakPolarHBondContact ND2-CD1 3.1Å; N167-I170 PolarHBondContact O-N 3.28Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 3.45Å; I170-I173 PolarHBondContact O-N 2.99Å; I170-T174 HydrophobicContact CG2-CG2 4.11Å; I170-T174 WeakPolarHBondContact O-CG2 3.28Å; I170-T174 PolarHBondContact O-N 3.16Å; I170-T174 PolarHBondContact O-OG1 3.43Å |
| 171 | M | 76.7 | Confident | 78.4 | Confident | 65 Ų | 65 | 80.2 Ų | 80.2 | 32% | 0.32 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 179.1 | -171.9 | -177.6 | -177.1 | 0 | 0 | 112.7 | I166 N167 T174 S175 | I166-M171 HydrophobicContact CG2-CB 4Å; I166-M171 HydrophobicContact CG2-CG 4.35Å; I166-M171 HydrophobicContact CG2-SD 3.62Å; N167-M171 PolarHBondContact O-N 2.95Å; M171-T174 WeakPolarHBondContact CA-OG1 3.43Å; M171-T174 PolarHBondContact O-N 2.86Å; M171-T174 PolarHBondContact O-OG1 2.99Å; M171-S175 VanDerWaalsContact O-CB 3.3Å; M171-S175 WeakPolarHBondContact O-CB 3.47Å; M171-S175 PolarHBondContact O-N 3.43Å; M171-S175 PolarHBondContact O-OG 2.83Å |
| 172 | L | 83.2 | Confident | 78.6 | Confident | 125 Ų | 125 | 77.7 Ų | 77.7 | 65% | 0.654 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.7 | -44.5 | 178.2 | -174 | 154.7 | 0 | 0 | 0 | 111.5 | G168 K169 I170 A176 | G168-L172 VanDerWaalsContact O-CB 3.31Å; G168-L172 WeakPolarHBondContact O-CB 3.31Å; G168-L172 PolarHBondContact O-N 2.92Å; K169-L172 PolarHBondContact O-N 2.9Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 3.45Å; L172-A176 VanDerWaalsContact O-CB 3.25Å; L172-A176 WeakPolarHBondContact O-CB 3.17Å; L172-A176 PolarHBondContact O-N 3.21Å |
| 173 | I | 84.3 | Confident | 79.4 | Confident | 110 Ų | 110 | 76.1 Ų | 76.1 | 56% | 0.564 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 178.8 | -67 | 167.9 | 0 | 0 | 0 | 110.5 | K169 I170 A176 T177 | K169-I173 WeakPolarHBondContact O-CG1 3.45Å; K169-I173 PolarHBondContact O-N 3.5Å; I170-I173 PolarHBondContact O-N 2.99Å; I173-A176 PolarHBondContact O-N 3.4Å; I173-T177 WeakPolarHBondContact O-CB 3.35Å; I173-T177 PolarHBondContact O-N 3.11Å; I173-T177 PolarHBondContact O-OG1 3.17Å |
| 174 | T | 80.5 | Confident | 80.5 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.1 | -49.1 | -180 | 56.1 | 0 | 0 | 0 | 0 | 111 | I93 I170 M171 A176 T177 G178 | I93-T174 HydrophobicContact CB-CG2 4.42Å; I93-T174 HydrophobicContact CD1-CG2 4.26Å; I93-T174 HydrophobicContact CG1-CG2 3.38Å; I170-T174 HydrophobicContact CG2-CG2 4.11Å; I170-T174 WeakPolarHBondContact O-CG2 3.28Å; I170-T174 PolarHBondContact O-N 3.16Å; I170-T174 PolarHBondContact O-OG1 3.43Å; M171-T174 WeakPolarHBondContact CA-OG1 3.43Å; M171-T174 PolarHBondContact O-N 2.86Å; M171-T174 PolarHBondContact O-OG1 2.99Å; T174-A176 VanDerWaalsContact C-N 3.3Å; T174-A176 PolarHBondContact O-N 2.92Å; T174-T177 WeakPolarHBondContact O-CB 3.32Å; T174-T177 PolarHBondContact O-N 3.31Å; T174-G178 PolarHBondContact O-N 3.07Å |
| 175 | S | 83.1 | Confident | 81.6 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 42% | 0.42 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 112.3 | M171 T177 V179 | M171-S175 VanDerWaalsContact O-CB 3.3Å; M171-S175 WeakPolarHBondContact O-CB 3.47Å; M171-S175 PolarHBondContact O-N 3.43Å; M171-S175 PolarHBondContact O-OG 2.83Å; S175-T177 VanDerWaalsContact C-N 3.34Å; S175-V179 WeakPolarHBondContact O-CB 3.17Å; S175-V179 VanDerWaalsContact O-CG2 3.22Å; S175-V179 WeakPolarHBondContact O-CG2 3.28Å; S175-V179 PolarHBondContact O-N 3.36Å |
| 176 | A | 88.4 | Confident | 82.8 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 51% | 0.512 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65 | -39.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L172 I173 T174 G180 | L172-A176 VanDerWaalsContact O-CB 3.25Å; L172-A176 WeakPolarHBondContact O-CB 3.17Å; L172-A176 PolarHBondContact O-N 3.21Å; I173-A176 PolarHBondContact O-N 3.4Å; T174-A176 VanDerWaalsContact C-N 3.3Å; T174-A176 PolarHBondContact O-N 2.92Å; A176-G180 PolarHBondContact O-N 3.28Å |
| 177 | T | 85.8 | Confident | 83.9 | Confident | 69 Ų | 69 | 71 Ų | 71 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.9 | -50.2 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | I173 T174 S175 V179 G180 V181 | I173-T177 WeakPolarHBondContact O-CB 3.35Å; I173-T177 PolarHBondContact O-N 3.11Å; I173-T177 PolarHBondContact O-OG1 3.17Å; T174-T177 WeakPolarHBondContact O-CB 3.32Å; T174-T177 PolarHBondContact O-N 3.31Å; S175-T177 VanDerWaalsContact C-N 3.34Å; T177-V179 PolarHBondContact O-N 3.46Å; T177-G180 WeakPolarHBondContact O-CA 3.31Å; T177-G180 PolarHBondContact O-N 2.95Å; T177-V181 WeakPolarHBondContact O-CG2 3.49Å; T177-V181 PolarHBondContact O-N 2.87Å |
| 178 | G | 84.6 | Confident | 84.5 | Confident | 4 Ų | 4 | 67.9 Ų | 67.9 | 4% | 0.041 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T174 G180 V181 N182 | T174-G178 PolarHBondContact O-N 3.07Å; G178-G180 PolarHBondContact O-N 2.85Å; G178-V181 PolarHBondContact O-N 3.48Å; G178-N182 WeakPolarHBondContact O-CB 3.16Å; G178-N182 PolarHBondContact O-N 2.87Å; G178-N182 PolarHBondContact O-ND2 2.96Å |
| 179 | V | 88 | Confident | 84.6 | Confident | 87 Ų | 87 | 69.6 Ų | 69.6 | 53% | 0.527 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 172.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | S175 T177 N182 I183 | S175-V179 WeakPolarHBondContact O-CB 3.17Å; S175-V179 VanDerWaalsContact O-CG2 3.22Å; S175-V179 WeakPolarHBondContact O-CG2 3.28Å; S175-V179 PolarHBondContact O-N 3.36Å; T177-V179 PolarHBondContact O-N 3.46Å; V179-N182 PolarHBondContact O-N 3.39Å; V179-I183 HydrophobicContact CG1-CD1 3.81Å; V179-I183 HydrophobicContact CG1-CG1 4.43Å; V179-I183 VanDerWaalsContact O-CG1 3.26Å; V179-I183 WeakPolarHBondContact O-CG1 3.46Å; V179-I183 PolarHBondContact O-N 3.32Å |
| 180 | G | 89.9 | Confident | 84.4 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 28% | 0.278 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A176 T177 G178 I183 I184 | A176-G180 PolarHBondContact O-N 3.28Å; T177-G180 WeakPolarHBondContact O-CA 3.31Å; T177-G180 PolarHBondContact O-N 2.95Å; G178-G180 PolarHBondContact O-N 2.85Å; G180-I183 PolarHBondContact O-N 3.02Å; G180-I184 VanDerWaalsContact O-CG1 3.31Å; G180-I184 WeakPolarHBondContact O-CG1 3.49Å; G180-I184 PolarHBondContact O-N 3.46Å |
| 181 | V | 87 | Confident | 83.2 | Confident | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.024 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 176.9 | 173 | 0 | 0 | 0 | 0 | 111 | F77 L100 T177 G178 I183 I184 M185 | F77-V181 HydrophobicContact CB-CG1 4.03Å; F77-V181 HydrophobicContact CB-CG2 4.25Å; F77-V181 HydrophobicContact CD1-CG2 3.56Å; F77-V181 HydrophobicContact CD2-CB 4.25Å; F77-V181 HydrophobicContact CD2-CG1 3.45Å; F77-V181 VanDerWaalsContact CD2-CG1 3.45Å; F77-V181 HydrophobicContact CD2-CG2 3.85Å; F77-V181 HydrophobicContact CE1-CG2 3.74Å; F77-V181 HydrophobicContact CE2-CB 4.45Å; F77-V181 HydrophobicContact CE2-CG1 3.98Å; F77-V181 HydrophobicContact CE2-CG2 3.98Å; F77-V181 HydrophobicContact CG-CB 4.39Å; F77-V181 HydrophobicContact CG-CG1 3.79Å; F77-V181 HydrophobicContact CG-CG2 3.62Å; F77-V181 HydrophobicContact CZ-CG2 3.94Å; L100-V181 HydrophobicContact CD2-CG1 4.41Å; T177-V181 WeakPolarHBondContact O-CG2 3.49Å; T177-V181 PolarHBondContact O-N 2.87Å; G178-V181 PolarHBondContact O-N 3.48Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.19Å; V181-I184 PolarHBondContact O-N 3.21Å; V181-M185 HydrophobicContact CG1-CE 4.04Å; V181-M185 HydrophobicContact CG1-CG 4.46Å; V181-M185 HydrophobicContact CG1-SD 4.43Å; V181-M185 WeakPolarHBondContact O-CG 3.35Å; V181-M185 PolarHBondContact O-N 3.48Å |
| 182 | N | 88 | Confident | 81.4 | Confident | 76 Ų | 76 | 73.9 Ų | 73.9 | 41% | 0.406 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.5 | -37.3 | 176.9 | -76 | -25.1 | 0 | 0 | 0 | 112.8 | G178 V179 M185 L186 | G178-N182 WeakPolarHBondContact O-CB 3.16Å; G178-N182 PolarHBondContact O-N 2.87Å; G178-N182 PolarHBondContact O-ND2 2.96Å; V179-N182 PolarHBondContact O-N 3.39Å; N182-M185 PolarHBondContact O-N 3.48Å; N182-M185 WeakPolarHBondContact OD1-CE 3.08Å; N182-L186 WeakPolarHBondContact O-CB 3.49Å; N182-L186 PolarHBondContact O-N 3.24Å |
| 183 | I | 90.2 | Very high | 79 | Confident | 82 Ų | 82 | 71.4 Ų | 71.4 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 174.3 | -70.5 | 167.6 | 0 | 0 | 0 | 111 | V179 G180 V181 M185 L186 F187 | V179-I183 HydrophobicContact CG1-CD1 3.81Å; V179-I183 HydrophobicContact CG1-CG1 4.43Å; V179-I183 VanDerWaalsContact O-CG1 3.26Å; V179-I183 WeakPolarHBondContact O-CG1 3.46Å; V179-I183 PolarHBondContact O-N 3.32Å; G180-I183 PolarHBondContact O-N 3.02Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.19Å; I183-M185 VanDerWaalsContact C-N 3.33Å; I183-M185 PolarHBondContact O-N 3.29Å; I183-L186 WeakPolarHBondContact O-CB 3.33Å; I183-L186 PolarHBondContact O-N 3.34Å; I183-F187 HydrophobicContact CG2-CD2 3.68Å; I183-F187 HydrophobicContact CG2-CE2 3.41Å; I183-F187 VanDerWaalsContact CG2-CE2 3.41Å; I183-F187 WeakPolarHBondContact O-CD2 3.49Å; I183-F187 PolarHBondContact O-N 3.36Å |
| 184 | I | 89 | Confident | 76.7 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 40% | 0.4 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 177.1 | -61.6 | 165.1 | 0 | 0 | 0 | 110.3 | L73 F77 G180 V181 L186 F187 T188 | L73-I184 HydrophobicContact CD2-CB 4.38Å; L73-I184 HydrophobicContact CD2-CG2 3.58Å; F77-I184 HydrophobicContact CZ-CD1 4.3Å; G180-I184 VanDerWaalsContact O-CG1 3.31Å; G180-I184 WeakPolarHBondContact O-CG1 3.49Å; G180-I184 PolarHBondContact O-N 3.46Å; V181-I184 PolarHBondContact O-N 3.21Å; I184-L186 VanDerWaalsContact C-N 3.35Å; I184-F187 PolarHBondContact O-N 3.31Å; I184-T188 WeakPolarHBondContact O-CB 3.32Å; I184-T188 PolarHBondContact O-N 2.94Å; I184-T188 PolarHBondContact O-OG1 3.23Å |
| 185 | M | 84.8 | Confident | 74.3 | Confident | 14 Ų | 14 | 78.9 Ų | 78.9 | 7% | 0.069 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.8 | -72.4 | -166.8 | -61 | 0 | 0 | 111.7 | L73 C74 L100 F107 V181 N182 I183 F187 T188 L189 | L73-M185 HydrophobicContact CD2-CG 3.96Å; C74-M185 HydrophobicContact CB-SD 3.98Å; L100-M185 HydrophobicContact CD2-CE 4.28Å; F107-M185 HydrophobicContact CE2-SD 4.19Å; V181-M185 HydrophobicContact CG1-CE 4.04Å; V181-M185 HydrophobicContact CG1-CG 4.46Å; V181-M185 HydrophobicContact CG1-SD 4.43Å; V181-M185 WeakPolarHBondContact O-CG 3.35Å; V181-M185 PolarHBondContact O-N 3.48Å; N182-M185 PolarHBondContact O-N 3.48Å; N182-M185 WeakPolarHBondContact OD1-CE 3.08Å; I183-M185 VanDerWaalsContact C-N 3.33Å; I183-M185 PolarHBondContact O-N 3.29Å; M185-F187 PolarHBondContact O-N 3.34Å; M185-T188 WeakPolarHBondContact O-CB 3.5Å; M185-T188 PolarHBondContact O-N 2.87Å; M185-L189 PolarHBondContact O-N 2.81Å |
| 186 | L | 87.1 | Confident | 72.2 | Confident | 107 Ų | 107 | 83.7 Ų | 83.7 | 56% | 0.56 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.2 | -46.9 | 176.2 | 179.4 | 63.6 | 0 | 0 | 0 | 111.5 | N182 I183 I184 T188 L189 H190 | N182-L186 WeakPolarHBondContact O-CB 3.49Å; N182-L186 PolarHBondContact O-N 3.24Å; I183-L186 WeakPolarHBondContact O-CB 3.33Å; I183-L186 PolarHBondContact O-N 3.34Å; I184-L186 VanDerWaalsContact C-N 3.35Å; L186-T188 VanDerWaalsContact C-N 3.32Å; L186-T188 PolarHBondContact O-N 2.95Å; L186-L189 PolarHBondContact O-N 3.05Å; L186-H190 WeakPolarHBondContact O-CB 3.34Å; L186-H190 PolarHBondContact O-N 3.29Å |
| 187 | F | 88.4 | Confident | 69.5 | Low | 147 Ų | 147 | 87.5 Ų | 87.5 | 65% | 0.645 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.8 | -32.3 | 176.5 | -76 | -62.5 | 0 | 0 | 0 | 113.2 | I183 I184 M185 L189 | I183-F187 HydrophobicContact CG2-CD2 3.68Å; I183-F187 HydrophobicContact CG2-CE2 3.41Å; I183-F187 VanDerWaalsContact CG2-CE2 3.41Å; I183-F187 WeakPolarHBondContact O-CD2 3.49Å; I183-F187 PolarHBondContact O-N 3.36Å; I184-F187 PolarHBondContact O-N 3.31Å; M185-F187 PolarHBondContact O-N 3.34Å; F187-L189 VanDerWaalsContact C-N 3.32Å |
| 188 | T | 83.9 | Confident | 67 | Low | 29 Ų | 29 | 89 Ų | 89 | 18% | 0.178 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | L69 I184 M185 L186 | L69-T188 HydrophobicContact CB-CG2 4.17Å; L69-T188 HydrophobicContact CD2-CG2 3.55Å; L69-T188 HydrophobicContact CG-CG2 3.66Å; I184-T188 WeakPolarHBondContact O-CB 3.32Å; I184-T188 PolarHBondContact O-N 2.94Å; I184-T188 PolarHBondContact O-OG1 3.23Å; M185-T188 WeakPolarHBondContact O-CB 3.5Å; M185-T188 PolarHBondContact O-N 2.87Å; L186-T188 VanDerWaalsContact C-N 3.32Å; L186-T188 PolarHBondContact O-N 2.95Å |
| 189 | L | 76.2 | Confident | 64.7 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 44% | 0.435 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -83.9 | -39.1 | 178.5 | -171.4 | 61.1 | 0 | 0 | 0 | 112.1 | L67 M185 L186 F187 N191 | L67-L189 HydrophobicContact CD2-CD1 4.43Å; M185-L189 PolarHBondContact O-N 2.81Å; L186-L189 PolarHBondContact O-N 3.05Å; F187-L189 VanDerWaalsContact C-N 3.32Å; L189-N191 PolarHBondContact O-N 3.39Å; L189-N191 VanDerWaalsContact O-N 3.15Å |
| 190 | H | 74.3 | Confident | 62.2 | Low | 132 Ų | 132 | 99.7 Ų | 99.7 | 61% | 0.611 | 54% | 0.541 | S | S | * | . | trans | -83.5 | 89 | -178 | -158.7 | 86.7 | 0 | 0 | 0 | 110.7 | L186 H192 | L186-H190 WeakPolarHBondContact O-CB 3.34Å; L186-H190 PolarHBondContact O-N 3.29Å; H190-H192 PolarHBondContact O-N 3.49Å | ||
| 191 | N | 54.5 | Low | 59.7 | Low | 89 Ų | 89 | 107.7 Ų | 107.7 | 48% | 0.476 | 57% | 0.571 | S | S | . | * | trans | -71.9 | 126.5 | 164.4 | -86.1 | 27.9 | 0 | 0 | 0 | 109.5 | K66 L189 G193 | K66-N191 WeakPolarHBondContact CE-ND2 3.48Å; K66-N191 WeakPolarHBondContact CE-OD1 3.27Å; L189-N191 PolarHBondContact O-N 3.39Å; L189-N191 VanDerWaalsContact O-N 3.15Å; N191-G193 PolarHBondContact O-N 3.07Å | ||
| 192 | H | 37.3 | Very low | 57.2 | Low | 149 Ų | 149 | 116.2 Ų | 116.2 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | trans | -58.3 | 80.4 | 155.3 | -147 | 64.7 | 0 | 0 | 0 | 109.5 | H190 H194 | H190-H192 PolarHBondContact O-N 3.49Å; H192-H194 VanDerWaalsContact C-N 3.29Å; H192-H194 AromaticContact CD2-CD2 3.32Å; H192-H194 PolarHBondContact CD2-CD2 3.48Å; H192-H194 AromaticContact CD2-NE2 3.93Å; H192-H194 AromaticContact CE1-CD2 3.47Å; H192-H194 PolarHBondContact CE1-CD2 2.76Å; H192-H194 VanDerWaalsContact CE1-CD2 3.47Å; H192-H194 AromaticContact CE1-NE2 3.22Å; H192-H194 PolarHBondContact CE1-NE2 3.35Å; H192-H194 AromaticContact NE2-CD2 2.96Å; H192-H194 PolarHBondContact NE2-CD2 3.29Å; H192-H194 AromaticContact NE2-NE2 3.11Å; H192-H194 PolarHBondContact NE2-NE2 3.37Å; H192-H194 VanDerWaalsContact NE2-NE2 3.11Å; H192-H194 PolarHBondContact O-N 3.04Å | ||
| 193 | G | 34.2 | Very low | 54.9 | Low | 72 Ų | 72 | 118.3 Ų | 118.3 | 74% | 0.742 | 63% | 0.631 | S | S | * | * | trans | -87.8 | 70.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | N191 N195 | N191-G193 PolarHBondContact O-N 3.07Å; G193-N195 PolarHBondContact O-N 3.15Å | ||
| 194 | H | 35.1 | Very low | 52.4 | Low | 126 Ų | 126 | 121.3 Ų | 121.3 | 58% | 0.583 | 65% | 0.648 | S | S | * | * | trans | -68.5 | 107 | 163.2 | -89 | -50.1 | 0 | 0 | 0 | 108.3 | H192 | H192-H194 VanDerWaalsContact C-N 3.29Å; H192-H194 AromaticContact CD2-CD2 3.32Å; H192-H194 PolarHBondContact CD2-CD2 3.48Å; H192-H194 AromaticContact CD2-NE2 3.93Å; H192-H194 AromaticContact CE1-CD2 3.47Å; H192-H194 PolarHBondContact CE1-CD2 2.76Å; H192-H194 VanDerWaalsContact CE1-CD2 3.47Å; H192-H194 AromaticContact CE1-NE2 3.22Å; H192-H194 PolarHBondContact CE1-NE2 3.35Å; H192-H194 AromaticContact NE2-CD2 2.96Å; H192-H194 PolarHBondContact NE2-CD2 3.29Å; H192-H194 AromaticContact NE2-NE2 3.11Å; H192-H194 PolarHBondContact NE2-NE2 3.37Å; H192-H194 VanDerWaalsContact NE2-NE2 3.11Å; H192-H194 PolarHBondContact O-N 3.04Å | ||
| 195 | N | 31.1 | Very low | 49.9 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | trans | -160 | 129.7 | 142.5 | -87.4 | -29.2 | 0 | 0 | 0 | 108.8 | G193 | G193-N195 PolarHBondContact O-N 3.15Š| ||
| 196 | H | 37.8 | Very low | 47.6 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.745 | 71% | 0.706 | S | S | * | * | trans | -76.6 | 151 | -162.6 | -64.3 | -97.7 | 0 | 0 | 0 | 115.1 | ||||
| 197 | T | 32.1 | Very low | 45.3 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 87% | 0.871 | 72% | 0.715 | S | S | * | * | trans | -148.2 | 102.4 | 134.9 | 24.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 198 | S | 33.4 | Very low | 42.5 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 73% | 0.725 | S | S | * | * | trans | -84.6 | 116.7 | 165.3 | 56.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 199 | L | 37.3 | Very low | 40.3 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 89% | 0.885 | 75% | 0.754 | S | S | * | * | trans | -119.9 | 130.1 | 157.5 | -91.8 | 156.8 | 0 | 0 | 0 | 107.9 | ||||
| 200 | N | 34.9 | Very low | 38.1 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -66.7 | 136 | -167.3 | -64.3 | -48.2 | 0 | 0 | 0 | 112.4 | ||||
| 201 | E | 36.4 | Very low | 36.3 | Very low | 196 Ų | 196 | 143.4 Ų | 143.4 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -141.4 | 120.9 | 146 | -113.8 | -177.7 | 170.6 | 0 | 0 | 110.1 | ||||
| 202 | H | 35.7 | Very low | 35.3 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -73.5 | 125.9 | 179.4 | -89.9 | -81 | 0 | 0 | 0 | 110.7 | ||||
| 203 | S | 39.4 | Very low | 34.9 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -152.6 | 141.8 | 141.8 | 50.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 204 | N | 36.6 | Very low | 34.8 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -83.9 | 163.2 | -162.6 | -80.2 | -41.1 | 0 | 0 | 0 | 113.4 | ||||
| 205 | E | 36.7 | Very low | 34.6 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 78.1 | 95.1 | 154.2 | -73.9 | 173.3 | -171.4 | 0 | 0 | 119.1 | ||||
| 206 | L | 37.8 | Very low | 34.5 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | 174.1 | 151.7 | 104.3 | -97.1 | 126.9 | 0 | 0 | 0 | 110.1 | |||||
| 207 | P | 38 | Very low | 34.4 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -84 | 143.9 | -157.5 | 32.9 | -32.5 | 0 | 0 | 0 | 114.5 | ||||
| 208 | K | 29.2 | Very low | 34.3 | Very low | 198 Ų | 198 | 145.5 Ų | 145.5 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -67.1 | 152.6 | 170.8 | -65 | 173.6 | 177.7 | 176.7 | 0 | 112.1 | ||||
| 209 | P | 38.7 | Very low | 34.5 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | -102.3 | 104.1 | 144.7 | 31.8 | -21 | 0 | 0 | 0 | 110.2 | ||||
| 210 | T | 30.2 | Very low | 34.4 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | 20.1 | 112.6 | 127 | -45.7 | 0 | 0 | 0 | 0 | 118.2 | T212 | T210-T212 HydrophobicContact CG2-CG2 4.39Å; T210-T212 WeakPolarHBondContact CG2-OG1 3.39Å | |||
| 211 | I | 36 | Very low | 34.8 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -104.2 | 98.9 | 145.1 | -66.2 | 178.4 | 0 | 0 | 0 | 105.9 | ||||
| 212 | T | 33.8 | Very low | 34.8 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -76.7 | 128.2 | 173.7 | -14.4 | 0 | 0 | 0 | 0 | 109.4 | T210 | T210-T212 HydrophobicContact CG2-CG2 4.39Å; T210-T212 WeakPolarHBondContact CG2-OG1 3.39Å | ||
| 213 | T | 28.6 | Very low | 35.1 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | trans | -50.5 | 162.3 | 153.4 | -31 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 214 | I | 31.9 | Very low | 35.5 | Very low | 153 Ų | 153 | 146.3 Ų | 146.3 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 95.9 | 105 | 158.3 | -49.9 | 147.8 | 0 | 0 | 0 | 115.2 | ||||
| 215 | S | 31.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | 166.7 | 135.7 | 93.3 | -161.2 | 0 | 0 | 0 | 0 | 111.7 | H217 | S215-H217 PolarHBondContact O-N 2.99Š| |||
| 216 | N | 29.4 | Very low | 37 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -44 | 131.6 | 158.7 | -73.1 | -32.4 | 0 | 0 | 0 | 111.6 | ||||
| 217 | H | 34.2 | Very low | 37.7 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | trans | -137.2 | 107.1 | 147 | -118.5 | -61.3 | 0 | 0 | 0 | 110.3 | S215 H219 | S215-H217 PolarHBondContact O-N 2.99Å; H217-H219 AromaticContact CE1-CD2 3.77Å; H217-H219 AromaticContact CE1-NE2 3.58Å; H217-H219 AromaticContact ND1-CD2 3.27Å; H217-H219 PolarHBondContact ND1-CD2 2.88Å; H217-H219 VanDerWaalsContact ND1-CD2 3.27Å; H217-H219 AromaticContact ND1-NE2 3.55Å | ||
| 218 | N | 30.1 | Very low | 38.5 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | trans | -72.7 | 114 | 159.6 | -164.6 | 8.9 | 0 | 0 | 0 | 106.7 | ||||
| 219 | H | 38.8 | Very low | 39.8 | Very low | 138 Ų | 138 | 136.5 Ų | 136.5 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | trans | -139.1 | 107.8 | 162 | -95.3 | -65.4 | 0 | 0 | 0 | 109.2 | H217 H221 | H217-H219 AromaticContact CE1-CD2 3.77Å; H217-H219 AromaticContact CE1-NE2 3.58Å; H217-H219 AromaticContact ND1-CD2 3.27Å; H217-H219 PolarHBondContact ND1-CD2 2.88Å; H217-H219 VanDerWaalsContact ND1-CD2 3.27Å; H217-H219 AromaticContact ND1-NE2 3.55Å; H219-H221 PolarHBondContact O-N 3.07Å | ||
| 220 | N | 33.7 | Very low | 40.4 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -53.9 | 102.3 | 154.6 | -85.7 | -27.2 | 0 | 0 | 0 | 109 | ||||
| 221 | H | 43.4 | Very low | 41.4 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 64% | 0.644 | 70% | 0.701 | S | S | * | * | trans | -139.9 | 101.5 | 155.7 | -99.1 | -79.7 | 0 | 0 | 0 | 109.5 | H219 Y223 | H219-H221 PolarHBondContact O-N 3.07Å; H221-Y223 VanDerWaalsContact C-N 3.32Å; H221-Y223 HydrophobicContact CB-CD2 4.31Å; H221-Y223 AromaticContact ND1-CD2 3.3Å; H221-Y223 VanDerWaalsContact ND1-CD2 3.3Å; H221-Y223 WeakPolarHBondContact ND1-CD2 3.33Å; H221-Y223 AromaticContact ND1-CE2 3.39Å; H221-Y223 WeakPolarHBondContact ND1-CE2 3.48Å; H221-Y223 PolarHBondContact O-N 3.41Å; H221-Y223 VanDerWaalsContact O-N 3.09Å | ||
| 222 | K | 37.9 | Very low | 42.4 | Very low | 210 Ų | 210 | 136.7 Ų | 136.7 | 91% | 0.913 | 68% | 0.681 | S | S | * | * | trans | -71.3 | 85.6 | 164.4 | -177.8 | 176.2 | -180 | 175.3 | 0 | 107.8 | ||||
| 223 | Y | 41 | Very low | 43.4 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 69% | 0.686 | 68% | 0.683 | S | S | * | * | trans | -143.2 | 107.1 | 172.5 | -84.7 | -87.7 | 0 | 0 | 0 | 110.2 | H221 I225 | H221-Y223 VanDerWaalsContact C-N 3.32Å; H221-Y223 HydrophobicContact CB-CD2 4.31Å; H221-Y223 AromaticContact ND1-CD2 3.3Å; H221-Y223 VanDerWaalsContact ND1-CD2 3.3Å; H221-Y223 WeakPolarHBondContact ND1-CD2 3.33Å; H221-Y223 AromaticContact ND1-CE2 3.39Å; H221-Y223 WeakPolarHBondContact ND1-CE2 3.48Å; H221-Y223 PolarHBondContact O-N 3.41Å; H221-Y223 VanDerWaalsContact O-N 3.09Å; Y223-I225 VanDerWaalsContact C-N 3.3Å; Y223-I225 WeakPolarHBondContact O-CG1 3.28Å; Y223-I225 PolarHBondContact O-N 3.49Å | ||
| 224 | D | 48.3 | Very low | 44.5 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | trans | 18.8 | 31.9 | 145.4 | -130.1 | -7.8 | 0 | 0 | 0 | 123.5 | N226 N227 | D224-N226 PolarHBondContact O-N 2.9Å; D224-N227 PolarHBondContact O-N 3.44Å; D224-N227 PolarHBondContact OD1-ND2 3.01Å | ||
| 225 | I | 52.8 | Low | 45.6 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 62% | 0.615 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.9 | -20.7 | 178.4 | -12.4 | 174.4 | 0 | 0 | 0 | 113.2 | Y223 N227 | Y223-I225 VanDerWaalsContact C-N 3.3Å; Y223-I225 WeakPolarHBondContact O-CG1 3.28Å; Y223-I225 PolarHBondContact O-N 3.49Å; I225-N227 VanDerWaalsContact C-N 3.26Å; I225-N227 PolarHBondContact O-N 3.13Å |
| 226 | N | 51.8 | Low | 46.8 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -81.8 | 3 | -179.4 | -69.3 | -19 | 0 | 0 | 0 | 113.5 | D224 Y230 | D224-N226 PolarHBondContact O-N 2.9Å; N226-Y230 HydrophobicContact CB-CE2 4.28Å; N226-Y230 WeakPolarHBondContact O-CD2 3.31Å; N226-Y230 WeakPolarHBondContact O-CE2 3.41Å |
| 227 | N | 52.5 | Low | 47.9 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 54% | 0.535 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -111.9 | -30.3 | 174.7 | -81 | -35.9 | 0 | 0 | 0 | 112.8 | D224 I225 K231 | D224-N227 PolarHBondContact O-N 3.44Å; D224-N227 PolarHBondContact OD1-ND2 3.01Å; I225-N227 VanDerWaalsContact C-N 3.26Å; I225-N227 PolarHBondContact O-N 3.13Å; N227-K231 WeakPolarHBondContact O-CB 3.4Å; N227-K231 PolarHBondContact O-N 2.94Å |
| 228 | E | 55.3 | Low | 48.9 | Very low | 148 Ų | 148 | 133.9 Ų | 133.9 | 69% | 0.692 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -73.1 | -41.5 | 179.5 | -76.7 | -169 | 152.9 | 0 | 0 | 113.3 | Y230 K231 E232 | E228-Y230 VanDerWaalsContact C-N 3.27Å; E228-Y230 PolarHBondContact O-N 3.41Å; E228-K231 PolarHBondContact O-N 2.93Å; E228-E232 PolarHBondContact O-N 3.39Å; E228-E232 VanDerWaalsContact O-N 3.09Å |
| 229 | I | 56 | Low | 50.2 | Low | 103 Ų | 103 | 130.6 Ų | 130.6 | 53% | 0.528 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.7 | -37.8 | 176.4 | -64 | 174.2 | 0 | 0 | 0 | 110.6 | L233 | I229-L233 HydrophobicContact CG2-CD1 3.95Å; I229-L233 WeakPolarHBondContact O-CB 3.34Å; I229-L233 WeakPolarHBondContact O-CD1 3.5Å; I229-L233 WeakPolarHBondContact O-CG 3.41Å; I229-L233 PolarHBondContact O-N 3.39Å; I229-L233 VanDerWaalsContact O-N 3.17Å |
| 230 | Y | 51.1 | Low | 51.1 | Low | 135 Ų | 135 | 128.3 Ų | 128.3 | 53% | 0.529 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -74.2 | -27.7 | 178.8 | -69 | -99.7 | 0 | 0 | 0 | 112.9 | N226 E228 N234 | N226-Y230 HydrophobicContact CB-CE2 4.28Å; N226-Y230 WeakPolarHBondContact O-CD2 3.31Å; N226-Y230 WeakPolarHBondContact O-CE2 3.41Å; E228-Y230 VanDerWaalsContact C-N 3.27Å; E228-Y230 PolarHBondContact O-N 3.41Å; Y230-N234 PolarHBondContact O-N 3.36Å |
| 231 | K | 51.9 | Low | 52.5 | Low | 169 Ų | 169 | 129.5 Ų | 129.5 | 74% | 0.735 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75.1 | -38.6 | 176.3 | -126.9 | 175.3 | -179.9 | 177 | 0 | 112.1 | N227 E228 N234 | N227-K231 WeakPolarHBondContact O-CB 3.4Å; N227-K231 PolarHBondContact O-N 2.94Å; E228-K231 PolarHBondContact O-N 2.93Å; K231-N234 PolarHBondContact O-N 2.67Å |
| 232 | E | 56.9 | Low | 53.8 | Low | 101 Ų | 101 | 130.4 Ų | 130.4 | 47% | 0.472 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -72.3 | -35.3 | 176.2 | -77.8 | -59.5 | 153.2 | 0 | 0 | 112.4 | E228 N234 R235 | E228-E232 PolarHBondContact O-N 3.39Å; E228-E232 VanDerWaalsContact O-N 3.09Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 2.98Å; E232-R235 PolarHBondContact O-N 2.99Å; E232-R235 IonicContact OE1-NH1 2.96Å; E232-R235 PolarHBondContact OE1-NH1 2.88Å; E232-R235 IonicContact OE2-NH1 3.46Å; E232-R235 PolarHBondContact OE2-NH1 3.46Å |
| 233 | L | 53.7 | Low | 55.3 | Low | 136 Ų | 136 | 125 Ų | 125 | 71% | 0.712 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66.7 | -24.4 | 174.4 | -77.4 | 165.1 | 0 | 0 | 0 | 113.9 | I229 | I229-L233 HydrophobicContact CG2-CD1 3.95Å; I229-L233 WeakPolarHBondContact O-CB 3.34Å; I229-L233 WeakPolarHBondContact O-CD1 3.5Å; I229-L233 WeakPolarHBondContact O-CG 3.41Å; I229-L233 PolarHBondContact O-N 3.39Å; I229-L233 VanDerWaalsContact O-N 3.17Å |
| 234 | N | 52.5 | Low | 57 | Low | 134 Ų | 134 | 120.9 Ų | 120.9 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 13.5 | -179.3 | -84.6 | -25.2 | 0 | 0 | 0 | 114.1 | Y230 K231 E232 P236 | Y230-N234 PolarHBondContact O-N 3.36Å; K231-N234 PolarHBondContact O-N 2.67Å; E232-N234 VanDerWaalsContact C-N 3.27Å; E232-N234 PolarHBondContact O-N 2.98Å; N234-P236 WeakPolarHBondContact O-CD 3.42Å |
| 235 | R | 54.1 | Low | 58.7 | Low | 135 Ų | 135 | 119 Ų | 119 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | trans | -71.7 | 119.7 | 178.5 | -153.1 | -179.5 | -169.7 | 123.8 | 0.1 | 109.9 | E232 N237 I238 | E232-R235 PolarHBondContact O-N 2.99Å; E232-R235 IonicContact OE1-NH1 2.96Å; E232-R235 PolarHBondContact OE1-NH1 2.88Å; E232-R235 IonicContact OE2-NH1 3.46Å; E232-R235 PolarHBondContact OE2-NH1 3.46Å; R235-N237 PolarHBondContact O-N 3.28Å; R235-I238 HydrophobicContact CB-CD1 3.71Å; R235-I238 HydrophobicContact CB-CG1 4.03Å; R235-I238 HydrophobicContact CG-CD1 4.35Å; R235-I238 PolarHBondContact O-N 3.24Å | ||
| 236 | P | 56.9 | Low | 60 | Low | 109 Ų | 109 | 115.6 Ų | 115.6 | 71% | 0.708 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -10.4 | -169.2 | 22.6 | -32.6 | 0 | 0 | 0 | 115 | N234 T239 | N234-P236 WeakPolarHBondContact O-CD 3.42Å; P236-T239 PolarHBondContact O-OG1 2.94Å |
| 237 | N | 53.6 | Low | 61.6 | Low | 155 Ų | 155 | 109.9 Ų | 109.9 | 83% | 0.829 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 7.3 | -174.6 | -103.8 | -9 | 0 | 0 | 0 | 115.4 | R235 | R235-N237 PolarHBondContact O-N 3.28Š|
| 238 | I | 53.8 | Low | 63.3 | Low | 67 Ų | 67 | 109.9 Ų | 109.9 | 34% | 0.344 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -91.3 | -3.9 | 176.3 | -64 | 179.9 | 0 | 0 | 0 | 111.6 | R235 Y242 | R235-I238 HydrophobicContact CB-CD1 3.71Å; R235-I238 HydrophobicContact CB-CG1 4.03Å; R235-I238 HydrophobicContact CG-CD1 4.35Å; R235-I238 PolarHBondContact O-N 3.24Å; I238-Y242 HydrophobicContact CG2-CD2 3.53Å; I238-Y242 HydrophobicContact CG2-CE2 3.41Å; I238-Y242 VanDerWaalsContact CG2-CE2 3.41Å; I238-Y242 WeakPolarHBondContact O-CD2 3.22Å |
| 239 | T | 59.3 | Low | 64.9 | Low | 77 Ų | 77 | 105.2 Ų | 105.2 | 47% | 0.472 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -16.8 | -147.7 | 49.8 | 0 | 0 | 0 | 0 | 119.2 | P236 K243 | P236-T239 PolarHBondContact O-OG1 2.94Å; T239-K243 WeakPolarHBondContact O-CD 3.26Å; T239-K243 WeakPolarHBondContact O-CE 3.45Å; T239-K243 WeakPolarHBondContact O-CG 3.34Å |
| 240 | P | 57.5 | Low | 66.5 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 59% | 0.591 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -32.6 | 177 | 31.4 | -30.4 | 0 | 0 | 0 | 114.5 | Y242 K243 | P240-Y242 PolarHBondContact O-N 3.36Å; P240-K243 PolarHBondContact O-N 3.48Å |
| 241 | K | 63 | Low | 68.5 | Low | 178 Ų | 178 | 98.2 Ų | 98.2 | 77% | 0.774 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -70.9 | -33.7 | -170.6 | -72 | -172.9 | 179.7 | -178.8 | 0 | 113.7 | K243 | K241-K243 VanDerWaalsContact C-N 3.34Š|
| 242 | Y | 69.3 | Low | 70.6 | Confident | 158 Ų | 158 | 95.8 Ų | 95.8 | 62% | 0.62 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -82.3 | -11.5 | -179.2 | -65.3 | -92.1 | 0 | 0 | 0 | 113.2 | I238 P240 I244 I245 | I238-Y242 HydrophobicContact CG2-CD2 3.53Å; I238-Y242 HydrophobicContact CG2-CE2 3.41Å; I238-Y242 VanDerWaalsContact CG2-CE2 3.41Å; I238-Y242 WeakPolarHBondContact O-CD2 3.22Å; P240-Y242 PolarHBondContact O-N 3.36Å; Y242-I244 VanDerWaalsContact C-N 3.28Å; Y242-I244 PolarHBondContact O-N 3.24Å; Y242-I245 HydrophobicContact CD1-CD1 3.49Å; Y242-I245 VanDerWaalsContact CD1-CD1 3.49Å; Y242-I245 HydrophobicContact CE1-CD1 4.4Å; Y242-I245 HydrophobicContact CG-CD1 4.17Å; Y242-I245 WeakPolarHBondContact O-CB 3.32Å; Y242-I245 WeakPolarHBondContact O-CG1 3.48Å; Y242-I245 PolarHBondContact O-N 2.91Å |
| 243 | K | 69.5 | Low | 72.3 | Confident | 97 Ų | 97 | 97.2 Ų | 97.2 | 42% | 0.422 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -68 | -26.2 | 179.7 | -70.8 | -177.2 | 175.7 | -172.7 | 0 | 113.3 | Y164 T239 P240 K241 I245 | Y164-K243 HydrophobicContact CD2-CD 4.13Å; Y164-K243 HydrophobicContact CG-CD 4.41Å; T239-K243 WeakPolarHBondContact O-CD 3.26Å; T239-K243 WeakPolarHBondContact O-CE 3.45Å; T239-K243 WeakPolarHBondContact O-CG 3.34Å; P240-K243 PolarHBondContact O-N 3.48Å; K241-K243 VanDerWaalsContact C-N 3.34Å; K243-I245 VanDerWaalsContact C-N 3.28Å; K243-I245 PolarHBondContact O-N 2.97Å |
| 244 | I | 78.3 | Confident | 74.2 | Confident | 87 Ų | 87 | 91.4 Ų | 91.4 | 45% | 0.446 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -78.9 | -10.4 | -179.9 | -156.2 | 161.1 | 0 | 0 | 0 | 113.5 | Y242 D246 P247 L248 | Y242-I244 VanDerWaalsContact C-N 3.28Å; Y242-I244 PolarHBondContact O-N 3.24Å; I244-D246 VanDerWaalsContact C-N 3.33Å; I244-D246 PolarHBondContact O-N 2.87Å; I244-P247 WeakPolarHBondContact O-CD 3.34Å; I244-L248 HydrophobicContact CG1-CD1 4.43Å; I244-L248 HydrophobicContact CG1-CG 4.45Å; I244-L248 HydrophobicContact CG2-CD1 4.06Å; I244-L248 VanDerWaalsContact O-CG 3.31Å; I244-L248 WeakPolarHBondContact O-CG 3.3Å; I244-L248 PolarHBondContact O-N 3.05Å |
| 245 | I | 82.4 | Confident | 76.2 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 41% | 0.405 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | -177.2 | -65 | 174.8 | 0 | 0 | 0 | 111 | Y242 K243 L248 C249 | Y242-I245 HydrophobicContact CD1-CD1 3.49Å; Y242-I245 VanDerWaalsContact CD1-CD1 3.49Å; Y242-I245 HydrophobicContact CE1-CD1 4.4Å; Y242-I245 HydrophobicContact CG-CD1 4.17Å; Y242-I245 WeakPolarHBondContact O-CB 3.32Å; Y242-I245 WeakPolarHBondContact O-CG1 3.48Å; Y242-I245 PolarHBondContact O-N 2.91Å; K243-I245 VanDerWaalsContact C-N 3.28Å; K243-I245 PolarHBondContact O-N 2.97Å; I245-L248 PolarHBondContact O-N 3.4Å; I245-C249 WeakPolarHBondContact O-CB 3.44Å; I245-C249 PolarHBondContact O-N 2.91Å; I245-C249 PolarHBondContact O-SG 3.42Å |
| 246 | D | 80.4 | Confident | 78.2 | Confident | 48 Ų | 48 | 87.9 Ų | 87.9 | 26% | 0.257 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.4 | -49.1 | -176.9 | 166.2 | 82.4 | 0 | 0 | 0 | 113.4 | R158 I244 L248 C249 T250 | R158-D246 WeakPolarHBondContact CD-OD2 3.22Å; R158-D246 IonicContact CZ-OD2 3.64Å; R158-D246 IonicContact NE-OD2 3.94Å; R158-D246 IonicContact NH1-OD1 3.81Å; R158-D246 IonicContact NH1-OD2 2.64Å; R158-D246 PolarHBondContact NH1-OD2 3.35Å; I244-D246 VanDerWaalsContact C-N 3.33Å; I244-D246 PolarHBondContact O-N 2.87Å; D246-L248 VanDerWaalsContact C-N 3.35Å; D246-L248 PolarHBondContact O-N 3.35Å; D246-C249 PolarHBondContact O-N 3.35Å; D246-T250 PolarHBondContact O-N 3.04Å; D246-T250 PolarHBondContact O-OG1 2.9Å |
| 247 | P | 85.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.1 | -41.3 | 170.4 | -27.6 | 35.1 | 0 | 0 | 0 | 113.6 | A155 R158 I159 I244 C249 T250 F251 | A155-P247 HydrophobicContact CB-CB 4.36Å; R158-P247 HydrophobicContact CG-CG 4.31Å; I159-P247 HydrophobicContact CD1-CB 3.67Å; I159-P247 HydrophobicContact CD1-CG 4.42Å; I159-P247 HydrophobicContact CG1-CB 3.69Å; I159-P247 HydrophobicContact CG1-CG 3.88Å; I244-P247 WeakPolarHBondContact O-CD 3.34Å; P247-C249 PolarHBondContact O-N 3.48Å; P247-T250 WeakPolarHBondContact O-CB 3.46Å; P247-T250 PolarHBondContact O-N 2.97Å; P247-T250 VanDerWaalsContact O-N 3.17Å; P247-F251 HydrophobicContact CB-CE2 4.42Å; P247-F251 WeakPolarHBondContact O-CD2 3.35Å; P247-F251 PolarHBondContact O-N 3.34Å |
| 248 | L | 88.6 | Confident | 81.9 | Confident | 100 Ų | 100 | 81 Ų | 81 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 177.7 | -73.1 | 172.3 | 0 | 0 | 0 | 112.1 | I244 I245 D246 T250 F251 L252 | I244-L248 HydrophobicContact CG1-CD1 4.43Å; I244-L248 HydrophobicContact CG1-CG 4.45Å; I244-L248 HydrophobicContact CG2-CD1 4.06Å; I244-L248 VanDerWaalsContact O-CG 3.31Å; I244-L248 WeakPolarHBondContact O-CG 3.3Å; I244-L248 PolarHBondContact O-N 3.05Å; I245-L248 PolarHBondContact O-N 3.4Å; D246-L248 VanDerWaalsContact C-N 3.35Å; D246-L248 PolarHBondContact O-N 3.35Å; L248-T250 VanDerWaalsContact C-N 3.32Å; L248-T250 PolarHBondContact O-N 3.03Å; L248-F251 PolarHBondContact O-N 2.95Å; L248-L252 WeakPolarHBondContact O-CB 3.46Å; L248-L252 PolarHBondContact O-N 2.96Å |
| 249 | C | 88.9 | Confident | 83.8 | Confident | 51 Ų | 51 | 82.6 Ų | 82.6 | 35% | 0.345 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 173.2 | -73.3 | 0 | 0 | 0 | 0 | 111 | I245 D246 P247 F251 L252 F253 | I245-C249 WeakPolarHBondContact O-CB 3.44Å; I245-C249 PolarHBondContact O-N 2.91Å; I245-C249 PolarHBondContact O-SG 3.42Å; D246-C249 PolarHBondContact O-N 3.35Å; P247-C249 PolarHBondContact O-N 3.48Å; C249-F251 PolarHBondContact O-N 2.91Å; C249-L252 PolarHBondContact O-N 2.95Å; C249-F253 HydrophobicContact CB-CD2 4.34Å; C249-F253 HydrophobicContact CB-CE2 4.29Å; C249-F253 WeakPolarHBondContact O-CD2 3.31Å; C249-F253 PolarHBondContact O-N 2.84Å |
| 250 | T | 89.6 | Confident | 85.4 | Confident | 26 Ų | 26 | 82.4 Ų | 82.4 | 16% | 0.16 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -59.8 | -45.2 | 178 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | L151 A155 D246 P247 L248 S254 | L151-T250 HydrophobicContact CB-CG2 4.23Å; A155-T250 HydrophobicContact CB-CG2 3.97Å; D246-T250 PolarHBondContact O-N 3.04Å; D246-T250 PolarHBondContact O-OG1 2.9Å; P247-T250 WeakPolarHBondContact O-CB 3.46Å; P247-T250 PolarHBondContact O-N 2.97Å; P247-T250 VanDerWaalsContact O-N 3.17Å; L248-T250 VanDerWaalsContact C-N 3.32Å; L248-T250 PolarHBondContact O-N 3.03Å; T250-S254 VanDerWaalsContact O-CB 3.27Å; T250-S254 WeakPolarHBondContact O-CB 3.41Å; T250-S254 PolarHBondContact O-N 3.09Å; T250-S254 PolarHBondContact O-OG 2.72Å |
| 251 | F | 93.6 | Very high | 87.2 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 29% | 0.285 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 175.6 | -70.9 | -66.2 | 0 | 0 | 0 | 112.4 | V152 A155 V156 I159 P247 L248 C249 S254 I255 | V152-F251 HydrophobicContact CG1-CD1 4.27Å; V152-F251 HydrophobicContact CG1-CE1 3.81Å; A155-F251 HydrophobicContact CB-CZ 4.47Å; V156-F251 HydrophobicContact CG2-CE1 4.11Å; V156-F251 HydrophobicContact CG2-CZ 3.75Å; I159-F251 HydrophobicContact CD1-CE2 3.73Å; I159-F251 HydrophobicContact CD1-CZ 4.34Å; P247-F251 HydrophobicContact CB-CE2 4.42Å; P247-F251 WeakPolarHBondContact O-CD2 3.35Å; P247-F251 PolarHBondContact O-N 3.34Å; L248-F251 PolarHBondContact O-N 2.95Å; C249-F251 PolarHBondContact O-N 2.91Å; F251-S254 PolarHBondContact O-N 2.9Å; F251-I255 WeakPolarHBondContact O-CG1 3.49Å; F251-I255 PolarHBondContact O-N 3.38Å |
| 252 | L | 94.7 | Very high | 88.6 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 62% | 0.618 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.7 | -49.4 | 179.3 | -177.5 | 69.4 | 0 | 0 | 0 | 111.4 | L248 C249 S254 I255 L256 | L248-L252 WeakPolarHBondContact O-CB 3.46Å; L248-L252 PolarHBondContact O-N 2.96Å; C249-L252 PolarHBondContact O-N 2.95Å; L252-S254 VanDerWaalsContact C-N 3.34Å; L252-S254 PolarHBondContact O-N 3.5Å; L252-I255 PolarHBondContact O-N 3Å; L252-L256 PolarHBondContact O-N 3.09Å; L252-L256 VanDerWaalsContact O-N 3.12Å |
| 253 | F | 92.6 | Very high | 89.7 | Confident | 130 Ų | 130 | 70.9 Ų | 70.9 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.7 | -36.8 | 177.8 | -74.1 | -61.2 | 0 | 0 | 0 | 112.1 | C249 I255 L256 V257 | C249-F253 HydrophobicContact CB-CD2 4.34Å; C249-F253 HydrophobicContact CB-CE2 4.29Å; C249-F253 WeakPolarHBondContact O-CD2 3.31Å; C249-F253 PolarHBondContact O-N 2.84Å; F253-I255 VanDerWaalsContact C-N 3.34Å; F253-I255 PolarHBondContact O-N 3.36Å; F253-L256 PolarHBondContact O-N 3.47Å; F253-V257 WeakPolarHBondContact O-CB 2.94Å; F253-V257 VanDerWaalsContact O-CG2 3.3Å; F253-V257 WeakPolarHBondContact O-CG2 3.4Å; F253-V257 PolarHBondContact O-N 3.46Å |
| 254 | S | 94.2 | Very high | 90.7 | Very high | 14 Ų | 14 | 70.4 Ų | 70.4 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 112.2 | V152 T250 F251 L252 V257 L258 | V152-S254 VanDerWaalsContact CG2-OG 3.23Å; V152-S254 WeakPolarHBondContact CG2-OG 3.42Å; T250-S254 VanDerWaalsContact O-CB 3.27Å; T250-S254 WeakPolarHBondContact O-CB 3.41Å; T250-S254 PolarHBondContact O-N 3.09Å; T250-S254 PolarHBondContact O-OG 2.72Å; F251-S254 PolarHBondContact O-N 2.9Å; L252-S254 VanDerWaalsContact C-N 3.34Å; L252-S254 PolarHBondContact O-N 3.5Å; S254-V257 PolarHBondContact O-N 3.42Å; S254-L258 WeakPolarHBondContact O-CB 3.26Å; S254-L258 PolarHBondContact O-N 2.92Å |
| 255 | I | 95.1 | Very high | 91.4 | Very high | 102 Ų | 102 | 67.9 Ų | 67.9 | 52% | 0.523 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 174.6 | -67.7 | 166.6 | 0 | 0 | 0 | 110.6 | F251 L252 F253 L258 I259 | F251-I255 WeakPolarHBondContact O-CG1 3.49Å; F251-I255 PolarHBondContact O-N 3.38Å; L252-I255 PolarHBondContact O-N 3Å; F253-I255 VanDerWaalsContact C-N 3.34Å; F253-I255 PolarHBondContact O-N 3.36Å; I255-L258 PolarHBondContact O-N 3.31Å; I255-I259 HydrophobicContact CG2-CD1 3.85Å; I255-I259 HydrophobicContact CG2-CG1 4.5Å; I255-I259 WeakPolarHBondContact O-CG1 3.43Å; I255-I259 PolarHBondContact O-N 3.36Å |
| 256 | L | 95.4 | Very high | 91.9 | Very high | 94 Ų | 94 | 71.9 Ų | 71.9 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 177.7 | -171.6 | 161.9 | 0 | 0 | 0 | 111.5 | L252 F253 L258 I259 T260 | L252-L256 PolarHBondContact O-N 3.09Å; L252-L256 VanDerWaalsContact O-N 3.12Å; F253-L256 PolarHBondContact O-N 3.47Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 3.45Å; L256-I259 PolarHBondContact O-N 3.44Å; L256-T260 HydrophobicContact CD2-CG2 4Å; L256-T260 WeakPolarHBondContact O-CG2 3.37Å; L256-T260 PolarHBondContact O-N 3.02Å; L256-T260 PolarHBondContact O-OG1 3.03Å |
| 257 | V | 93.5 | Very high | 92.3 | Very high | 43 Ų | 43 | 72.2 Ų | 72.2 | 26% | 0.261 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.9 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | I144 F253 S254 T260 T261 | I144-V257 HydrophobicContact CG2-CG1 3.51Å; F253-V257 WeakPolarHBondContact O-CB 2.94Å; F253-V257 VanDerWaalsContact O-CG2 3.3Å; F253-V257 WeakPolarHBondContact O-CG2 3.4Å; F253-V257 PolarHBondContact O-N 3.46Å; S254-V257 PolarHBondContact O-N 3.42Å; V257-T260 WeakPolarHBondContact CA-OG1 3.46Å; V257-T260 PolarHBondContact O-N 3.48Å; V257-T260 PolarHBondContact O-OG1 2.99Å; V257-T261 HydrophobicContact CG1-CG2 4.25Å; V257-T261 WeakPolarHBondContact O-CB 3.22Å; V257-T261 VanDerWaalsContact O-CG2 3.27Å; V257-T261 WeakPolarHBondContact O-CG2 3.4Å; V257-T261 PolarHBondContact O-N 3.19Å; V257-T261 PolarHBondContact O-OG1 3.2Å |
| 258 | L | 94.1 | Very high | 92.6 | Very high | 75 Ų | 75 | 72.6 Ų | 72.6 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | 177.3 | -175.9 | 61.4 | 0 | 0 | 0 | 111.8 | W145 S254 I255 L256 T260 T261 L262 | W145-L258 HydrophobicContact CD2-CD1 4.18Å; W145-L258 VanDerWaalsContact CE2-CD1 3.45Å; W145-L258 HydrophobicContact CH2-CD1 3.82Å; W145-L258 HydrophobicContact CZ2-CD1 3.26Å; W145-L258 HydrophobicContact CZ3-CD1 4.45Å; S254-L258 WeakPolarHBondContact O-CB 3.26Å; S254-L258 PolarHBondContact O-N 2.92Å; I255-L258 PolarHBondContact O-N 3.31Å; L256-L258 VanDerWaalsContact C-N 3.31Å; L256-L258 PolarHBondContact O-N 3.45Å; L258-T260 PolarHBondContact O-N 3.29Å; L258-T261 PolarHBondContact O-N 3.24Å; L258-T261 PolarHBondContact O-OG1 3.24Å; L258-L262 HydrophobicContact CD1-CD1 4.46Å; L258-L262 HydrophobicContact CD1-CG 4.29Å; L258-L262 HydrophobicContact CG-CD1 4.17Å; L258-L262 HydrophobicContact CG-CG 4.45Å; L258-L262 WeakPolarHBondContact O-CB 3.27Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 3.23Å |
| 259 | I | 95.3 | Very high | 92.8 | Very high | 102 Ų | 102 | 71.5 Ų | 71.5 | 52% | 0.523 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 179.8 | -67.8 | 167.4 | 0 | 0 | 0 | 111.3 | I255 L256 | I255-I259 HydrophobicContact CG2-CD1 3.85Å; I255-I259 HydrophobicContact CG2-CG1 4.5Å; I255-I259 WeakPolarHBondContact O-CG1 3.43Å; I255-I259 PolarHBondContact O-N 3.36Å; L256-I259 PolarHBondContact O-N 3.44Å |
| 260 | T | 93 | Very high | 92.9 | Very high | 73 Ų | 73 | 71.6 Ų | 71.6 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.5 | -38.7 | -178.4 | 51 | 0 | 0 | 0 | 0 | 112.3 | L256 V257 L258 | L256-T260 HydrophobicContact CD2-CG2 4Å; L256-T260 WeakPolarHBondContact O-CG2 3.37Å; L256-T260 PolarHBondContact O-N 3.02Å; L256-T260 PolarHBondContact O-OG1 3.03Å; V257-T260 WeakPolarHBondContact CA-OG1 3.46Å; V257-T260 PolarHBondContact O-N 3.48Å; V257-T260 PolarHBondContact O-OG1 2.99Å; L258-T260 PolarHBondContact O-N 3.29Å |
| 261 | T | 93.6 | Very high | 93 | Very high | 8 Ų | 8 | 70.7 Ų | 70.7 | 5% | 0.049 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -77.5 | -25.5 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 114 | I144 W145 V257 L258 N263 I264 L265 | I144-T261 HydrophobicContact CG2-CG2 4.22Å; W145-T261 PolarHBondContact NE1-OG1 2.68Å; V257-T261 HydrophobicContact CG1-CG2 4.25Å; V257-T261 WeakPolarHBondContact O-CB 3.22Å; V257-T261 VanDerWaalsContact O-CG2 3.27Å; V257-T261 WeakPolarHBondContact O-CG2 3.4Å; V257-T261 PolarHBondContact O-N 3.19Å; V257-T261 PolarHBondContact O-OG1 3.2Å; L258-T261 PolarHBondContact O-N 3.24Å; L258-T261 PolarHBondContact O-OG1 3.24Å; T261-N263 VanDerWaalsContact C-N 3.25Å; T261-N263 PolarHBondContact O-N 2.96Å; T261-I264 PolarHBondContact O-N 3.44Å; T261-L265 WeakPolarHBondContact O-CB 3.45Å; T261-L265 PolarHBondContact O-N 3.47Å |
| 262 | L | 93.8 | Very high | 93 | Very high | 77 Ų | 77 | 70.6 Ų | 70.6 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.1 | -34.8 | 174.4 | -80.3 | 170.3 | 0 | 0 | 0 | 112.6 | W145 L258 L265 R266 | W145-L262 HydrophobicContact CH2-CD2 3.83Å; W145-L262 HydrophobicContact CZ2-CD2 3.69Å; W145-L262 HydrophobicContact CZ2-CG 4.15Å; L258-L262 HydrophobicContact CD1-CD1 4.46Å; L258-L262 HydrophobicContact CD1-CG 4.29Å; L258-L262 HydrophobicContact CG-CD1 4.17Å; L258-L262 HydrophobicContact CG-CG 4.45Å; L258-L262 WeakPolarHBondContact O-CB 3.27Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 3.23Å; L262-L265 HydrophobicContact CD2-CD2 4.42Å; L262-L265 PolarHBondContact O-N 3.33Å; L262-R266 WeakPolarHBondContact O-CB 3.41Å; L262-R266 PolarHBondContact O-N 2.93Å |
| 263 | N | 90.9 | Very high | 92.9 | Very high | 99 Ų | 99 | 72 Ų | 72 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.4 | -46 | 176.2 | -70.2 | -18.1 | 0 | 0 | 0 | 111.5 | T261 R266 D267 | T261-N263 VanDerWaalsContact C-N 3.25Å; T261-N263 PolarHBondContact O-N 2.96Å; N263-R266 PolarHBondContact O-N 3.26Å; N263-D267 PolarHBondContact O-N 3.45Å |
| 264 | I | 90.6 | Very high | 93 | Very high | 88 Ų | 88 | 70.9 Ų | 70.9 | 45% | 0.451 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 177.5 | -58.3 | 172.1 | 0 | 0 | 0 | 110.4 | V141 T261 R266 D267 A268 | V141-I264 HydrophobicContact CG2-CB 4.36Å; V141-I264 HydrophobicContact CG2-CG2 3.88Å; T261-I264 PolarHBondContact O-N 3.44Å; I264-R266 PolarHBondContact O-N 3.45Å; I264-D267 PolarHBondContact O-N 2.93Å; I264-A268 PolarHBondContact O-N 2.98Å |
| 265 | L | 93.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 71.8 Ų | 71.8 | 17% | 0.173 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 175.9 | 178.6 | 61.4 | 0 | 0 | 0 | 111.2 | L138 V141 W145 T261 L262 D267 A268 L269 | L138-L265 HydrophobicContact CD2-CD1 3.42Å; L138-L265 VanDerWaalsContact CD2-CD1 3.42Å; V141-L265 HydrophobicContact CG1-CB 4.44Å; W145-L265 HydrophobicContact CH2-CD2 4.06Å; W145-L265 HydrophobicContact CZ2-CD2 4.14Å; T261-L265 WeakPolarHBondContact O-CB 3.45Å; T261-L265 PolarHBondContact O-N 3.47Å; L262-L265 HydrophobicContact CD2-CD2 4.42Å; L262-L265 PolarHBondContact O-N 3.33Å; L265-D267 VanDerWaalsContact C-N 3.32Å; L265-D267 PolarHBondContact O-N 2.8Å; L265-A268 PolarHBondContact O-N 2.85Å; L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD1-CG 4.06Å; L265-L269 HydrophobicContact CG-CD1 3.93Å; L265-L269 HydrophobicContact CG-CG 4.37Å; L265-L269 WeakPolarHBondContact O-CB 3.34Å; L265-L269 VanDerWaalsContact O-CG 3.26Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.41Å |
| 266 | R | 92.2 | Very high | 92.8 | Very high | 164 Ų | 164 | 69.6 Ų | 69.6 | 62% | 0.619 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.7 | -41.2 | 178.1 | -171.9 | 178.6 | -177.6 | 173.6 | 0.5 | 111.9 | L262 N263 I264 N270 | L262-R266 WeakPolarHBondContact O-CB 3.41Å; L262-R266 PolarHBondContact O-N 2.93Å; N263-R266 PolarHBondContact O-N 3.26Å; I264-R266 PolarHBondContact O-N 3.45Å; R266-N270 WeakPolarHBondContact O-CB 3.24Å; R266-N270 PolarHBondContact O-N 2.97Å; R266-N270 PolarHBondContact O-ND2 3.44Å; R266-N270 PolarHBondContact O-OD1 3.28Å |
| 267 | D | 89.4 | Confident | 92.4 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 176.3 | -80.9 | -45.6 | 0 | 0 | 0 | 112.6 | N263 I264 L265 L269 N270 V271 R278 | N263-D267 PolarHBondContact O-N 3.45Å; I264-D267 PolarHBondContact O-N 2.93Å; L265-D267 VanDerWaalsContact C-N 3.32Å; L265-D267 PolarHBondContact O-N 2.8Å; D267-L269 PolarHBondContact O-N 3.01Å; D267-N270 WeakPolarHBondContact O-CB 3.39Å; D267-N270 PolarHBondContact O-N 3.48Å; D267-V271 PolarHBondContact O-N 2.83Å; D267-R278 WeakPolarHBondContact OD1-CD 3.33Å; D267-R278 IonicContact OD1-CZ 2.88Å; D267-R278 IonicContact OD1-NE 2.78Å; D267-R278 PolarHBondContact OD1-NE 3.5Å; D267-R278 VanDerWaalsContact OD1-NE 3.08Å; D267-R278 IonicContact OD1-NH1 3.52Å; D267-R278 PolarHBondContact OD1-NH1 3.06Å; D267-R278 IonicContact OD1-NH2 3.41Å; D267-R278 PolarHBondContact OD1-NH2 3.31Å; D267-R278 IonicContact OD2-CZ 3.78Å; D267-R278 IonicContact OD2-NH1 2.81Å; D267-R278 PolarHBondContact OD2-NH1 2.73Å; D267-R278 IonicContact OD2-NH2 3.99Å |
| 268 | A | 91.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 71.1 Ų | 71.1 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V134 L138 I264 L265 V271 L272 | V134-A268 HydrophobicContact CG1-CB 3.75Å; V134-A268 WeakPolarHBondContact CG1-O 3.48Å; L138-A268 HydrophobicContact CD1-CB 4.15Å; L138-A268 HydrophobicContact CD2-CB 3.52Å; L138-A268 HydrophobicContact CG-CB 3.63Å; I264-A268 PolarHBondContact O-N 2.98Å; L265-A268 PolarHBondContact O-N 2.85Å; A268-V271 PolarHBondContact O-N 2.96Å; A268-L272 PolarHBondContact O-N 2.88Å; A268-L272 VanDerWaalsContact O-N 3.07Å |
| 269 | L | 93.2 | Very high | 91.4 | Very high | 76 Ų | 76 | 71.8 Ų | 71.8 | 40% | 0.398 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 174.5 | -72.2 | 176.3 | 0 | 0 | 0 | 112 | L265 D267 V271 L272 M273 | L265-L269 HydrophobicContact CD1-CD1 4.01Å; L265-L269 HydrophobicContact CD1-CG 4.06Å; L265-L269 HydrophobicContact CG-CD1 3.93Å; L265-L269 HydrophobicContact CG-CG 4.37Å; L265-L269 WeakPolarHBondContact O-CB 3.34Å; L265-L269 VanDerWaalsContact O-CG 3.26Å; L265-L269 WeakPolarHBondContact O-CG 3.42Å; L265-L269 PolarHBondContact O-N 3.41Å; D267-L269 PolarHBondContact O-N 3.01Å; L269-V271 VanDerWaalsContact C-N 3.26Å; L269-V271 PolarHBondContact O-N 3.5Å; L269-L272 PolarHBondContact O-N 3.43Å; L269-L272 VanDerWaalsContact O-N 3.17Å; L269-M273 WeakPolarHBondContact O-CB 3.3Å; L269-M273 WeakPolarHBondContact O-CG 3.44Å; L269-M273 PolarHBondContact O-N 2.85Å |
| 270 | N | 92 | Very high | 90.9 | Very high | 53 Ų | 53 | 68.2 Ų | 68.2 | 28% | 0.283 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.4 | -41 | 175.1 | -76.4 | -11.6 | 0 | 0 | 0 | 111.6 | R266 D267 E274 A275 | R266-N270 WeakPolarHBondContact O-CB 3.24Å; R266-N270 PolarHBondContact O-N 2.97Å; R266-N270 PolarHBondContact O-ND2 3.44Å; R266-N270 PolarHBondContact O-OD1 3.28Å; D267-N270 WeakPolarHBondContact O-CB 3.39Å; D267-N270 PolarHBondContact O-N 3.48Å; N270-E274 PolarHBondContact O-N 2.88Å; N270-A275 HydrophobicContact CB-CB 4.14Å; N270-A275 VanDerWaalsContact O-CB 3.28Å; N270-A275 WeakPolarHBondContact O-CB 3.47Å; N270-A275 PolarHBondContact O-N 3.49Å |
| 271 | V | 91.6 | Very high | 90.8 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 176.5 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | V134 D267 A268 L269 M273 E274 | V134-V271 HydrophobicContact CG1-CB 4.26Å; V134-V271 HydrophobicContact CG2-CB 4.22Å; V134-V271 HydrophobicContact CG2-CG1 3.8Å; D267-V271 PolarHBondContact O-N 2.83Å; A268-V271 PolarHBondContact O-N 2.96Å; L269-V271 VanDerWaalsContact C-N 3.26Å; L269-V271 PolarHBondContact O-N 3.5Å; V271-M273 VanDerWaalsContact C-N 3.32Å; V271-M273 PolarHBondContact O-N 2.68Å; V271-E274 PolarHBondContact O-N 3.17Å |
| 272 | L | 92.5 | Very high | 90.8 | Very high | 63 Ų | 63 | 70.2 Ų | 70.2 | 33% | 0.33 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 177.3 | -73.4 | -172.8 | 0 | 0 | 0 | 113.3 | V134 L138 A268 L269 E274 | V134-L272 HydrophobicContact CG1-CD2 4.37Å; V134-L272 HydrophobicContact CG1-CG 4.2Å; L138-L272 HydrophobicContact CD1-CD1 3.27Å; L138-L272 HydrophobicContact CD1-CG 4.09Å; A268-L272 PolarHBondContact O-N 2.88Å; A268-L272 VanDerWaalsContact O-N 3.07Å; L269-L272 PolarHBondContact O-N 3.43Å; L269-L272 VanDerWaalsContact O-N 3.17Å; L272-E274 PolarHBondContact O-N 3.44Å |
| 273 | M | 93.7 | Very high | 90.7 | Very high | 149 Ų | 149 | 70.5 Ų | 70.5 | 73% | 0.734 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 8.5 | 178.1 | -65 | -60.7 | -61.8 | 0 | 0 | 113.1 | L269 V271 A275 | L269-M273 WeakPolarHBondContact O-CB 3.3Å; L269-M273 WeakPolarHBondContact O-CG 3.44Å; L269-M273 PolarHBondContact O-N 2.85Å; V271-M273 VanDerWaalsContact C-N 3.32Å; V271-M273 PolarHBondContact O-N 2.68Å; M273-A275 PolarHBondContact O-N 3.37Å |
| 274 | E | 93.7 | Very high | 90.9 | Very high | 105 Ų | 105 | 69.5 Ų | 69.5 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 31.6 | 178.2 | -48.1 | -163.8 | 149.7 | 0 | 0 | 113.2 | R131 N270 V271 L272 W304 | R131-E274 IonicContact CZ-OE1 3.84Å; R131-E274 IonicContact NH1-OE1 3.56Å; R131-E274 PolarHBondContact NH1-OE1 3.32Å; R131-E274 VanDerWaalsContact NH1-OE1 3.11Å; R131-E274 IonicContact NH2-OE1 2.9Å; R131-E274 PolarHBondContact NH2-OE1 3.22Å; N270-E274 PolarHBondContact O-N 2.88Å; V271-E274 PolarHBondContact O-N 3.17Å; L272-E274 PolarHBondContact O-N 3.44Å; E274-W304 HydrophobicContact CB-CB 3.94Å; E274-W304 HydrophobicContact CB-CG 4.42Å; E274-W304 WeakPolarHBondContact O-CB 3.25Å |
| 275 | A | 92.6 | Very high | 91 | Very high | 33 Ų | 33 | 65.4 Ų | 65.4 | 27% | 0.273 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 153.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N270 M273 S305 | N270-A275 HydrophobicContact CB-CB 4.14Å; N270-A275 VanDerWaalsContact O-CB 3.28Å; N270-A275 WeakPolarHBondContact O-CB 3.47Å; N270-A275 PolarHBondContact O-N 3.49Å; M273-A275 PolarHBondContact O-N 3.37Å; A275-S305 PolarHBondContact O-N 2.9Å; A275-S305 PolarHBondContact O-OG 3.48Å; A275-S305 VanDerWaalsContact O-OG 3.14Å |
| 276 | T | 92.1 | Very high | 91.1 | Very high | 57 Ų | 57 | 65.2 Ų | 65.2 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -56.2 | 132.1 | 170.5 | -49.3 | 0 | 0 | 0 | 0 | 110.1 | L280 I303 | T276-L280 HydrophobicContact CG2-CB 4.43Å; T276-L280 HydrophobicContact CG2-CD2 3.98Å; T276-L280 WeakPolarHBondContact CG2-O 3.22Å; T276-I303 WeakPolarHBondContact CA-O 3.49Å; T276-I303 HydrophobicContact CG2-CB 4.26Å; T276-I303 HydrophobicContact CG2-CG2 4.07Å; T276-I303 PolarHBondContact OG1-O 3.23Å |
| 277 | P | 88.4 | Confident | 91.2 | Very high | 23 Ų | 23 | 60.2 Ų | 60.2 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 146.3 | -179.2 | 23.5 | -32.9 | 0 | 0 | 0 | 111.8 | G279 L280 S305 T311 | P277-G279 PolarHBondContact O-N 3.12Å; P277-L280 HydrophobicContact CG-CB 3.94Å; P277-L280 HydrophobicContact CG-CD1 4.4Å; P277-L280 PolarHBondContact O-N 3.34Å; P277-S305 VanDerWaalsContact CA-OG 3.31Å; P277-S305 WeakPolarHBondContact CA-OG 3.3Å; P277-S305 VanDerWaalsContact CB-OG 3.32Å; P277-S305 WeakPolarHBondContact CB-OG 3.3Å; P277-S305 WeakPolarHBondContact CD-OG 3.45Å; P277-T311 HydrophobicContact CG-CG2 3.82Å |
| 278 | R | 82.4 | Confident | 91.4 | Very high | 145 Ų | 145 | 58.1 Ų | 58.1 | 55% | 0.547 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 122.2 | 173.5 | -66.9 | -173.6 | 179.2 | 159.6 | 15 | 108.8 | D267 | D267-R278 WeakPolarHBondContact OD1-CD 3.33Å; D267-R278 IonicContact OD1-CZ 2.88Å; D267-R278 IonicContact OD1-NE 2.78Å; D267-R278 PolarHBondContact OD1-NE 3.5Å; D267-R278 VanDerWaalsContact OD1-NE 3.08Å; D267-R278 IonicContact OD1-NH1 3.52Å; D267-R278 PolarHBondContact OD1-NH1 3.06Å; D267-R278 IonicContact OD1-NH2 3.41Å; D267-R278 PolarHBondContact OD1-NH2 3.31Å; D267-R278 IonicContact OD2-CZ 3.78Å; D267-R278 IonicContact OD2-NH1 2.81Å; D267-R278 PolarHBondContact OD2-NH1 2.73Å; D267-R278 IonicContact OD2-NH2 3.99Å |
| 279 | G | 83.2 | Confident | 91.6 | Very high | 90 Ų | 90 | 57.7 Ų | 57.7 | 93% | 0.928 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.7 | -15.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | P277 | P277-G279 PolarHBondContact O-N 3.12Š|
| 280 | L | 86.1 | Confident | 91.7 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | trans | -101.5 | 118.3 | 174.2 | -167.7 | 158.5 | 0 | 0 | 0 | 109.9 | T276 P277 V285 I303 T311 | T276-L280 HydrophobicContact CG2-CB 4.43Å; T276-L280 HydrophobicContact CG2-CD2 3.98Å; T276-L280 WeakPolarHBondContact CG2-O 3.22Å; P277-L280 HydrophobicContact CG-CB 3.94Å; P277-L280 HydrophobicContact CG-CD1 4.4Å; P277-L280 PolarHBondContact O-N 3.34Å; L280-V285 HydrophobicContact CD1-CG2 4.35Å; L280-V285 HydrophobicContact CD2-CG2 3.5Å; L280-V285 VanDerWaalsContact CD2-CG2 3.5Å; L280-V285 HydrophobicContact CG-CG2 3.98Å; L280-I303 HydrophobicContact CD1-CG2 4Å; L280-I303 HydrophobicContact CD2-CD1 3.62Å; L280-I303 HydrophobicContact CD2-CG2 3.9Å; L280-T311 HydrophobicContact CD1-CG2 4.24Å | ||
| 281 | N | 90.7 | Very high | 91.9 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | trans | -89.3 | 118.2 | 177.4 | -171.5 | -24.7 | 0 | 0 | 0 | 110.4 | N283 E284 V285 | N281-N283 PolarHBondContact O-N 2.98Å; N281-N283 PolarHBondContact OD1-N 2.99Å; N281-E284 HydrophobicContact CB-CB 3.96Å; N281-E284 PolarHBondContact O-N 3.31Å; N281-E284 VanDerWaalsContact O-N 3.1Å; N281-V285 PolarHBondContact O-N 2.77Å | ||
| 282 | F | 92.2 | Very high | 92 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 17% | 0.167 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -50.2 | -45.2 | 177.3 | 179.1 | -88.9 | 0 | 0 | 0 | 112.6 | E284 V285 K286 L301 I303 P365 | F282-E284 VanDerWaalsContact C-N 3.34Å; F282-E284 PolarHBondContact O-N 2.93Å; F282-V285 PolarHBondContact O-N 3.48Å; F282-K286 WeakPolarHBondContact O-CB 3.45Å; F282-K286 PolarHBondContact O-N 3.48Å; F282-L301 HydrophobicContact CD2-CD2 4.09Å; F282-L301 HydrophobicContact CD2-CG 4.31Å; F282-L301 HydrophobicContact CE1-CD2 4.37Å; F282-L301 HydrophobicContact CE2-CB 3.96Å; F282-L301 HydrophobicContact CE2-CD2 3.68Å; F282-L301 HydrophobicContact CE2-CG 3.68Å; F282-L301 WeakPolarHBondContact CE2-O 3.28Å; F282-L301 HydrophobicContact CZ-CB 4.05Å; F282-L301 HydrophobicContact CZ-CD2 3.83Å; F282-L301 HydrophobicContact CZ-CG 4.12Å; F282-I303 HydrophobicContact CD2-CD1 4.41Å; F282-P365 HydrophobicContact CE1-CG 4.2Å; F282-P365 HydrophobicContact CE2-CG 4.19Å; F282-P365 HydrophobicContact CZ-CG 3.84Å |
| 283 | N | 92.9 | Very high | 92.1 | Very high | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.4 | -33.6 | -177 | -64.6 | -47.8 | 0 | 0 | 0 | 112.1 | N281 K286 S287 | N281-N283 PolarHBondContact O-N 2.98Å; N281-N283 PolarHBondContact OD1-N 2.99Å; N283-K286 PolarHBondContact O-N 3.27Å; N283-S287 WeakPolarHBondContact O-CB 3.28Å; N283-S287 PolarHBondContact O-N 3.21Å; N283-S287 PolarHBondContact O-OG 3.28Å; N283-S287 VanDerWaalsContact O-OG 3.05Å |
| 284 | E | 93.5 | Very high | 92 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.1 | -42.5 | 178.7 | -163.7 | -159.6 | 147.4 | 0 | 0 | 111.5 | N281 F282 S287 S288 R339 Y340 | N281-E284 HydrophobicContact CB-CB 3.96Å; N281-E284 PolarHBondContact O-N 3.31Å; N281-E284 VanDerWaalsContact O-N 3.1Å; F282-E284 VanDerWaalsContact C-N 3.34Å; F282-E284 PolarHBondContact O-N 2.93Å; E284-S287 PolarHBondContact O-N 3.39Å; E284-S288 WeakPolarHBondContact O-CB 3.37Å; E284-S288 PolarHBondContact O-N 3.26Å; E284-S288 PolarHBondContact O-OG 3.22Å; E284-R339 IonicContact OE1-CZ 3.9Å; E284-R339 IonicContact OE1-NE 3.77Å; E284-R339 IonicContact OE1-NH2 3.85Å; E284-R339 PolarHBondContact OE1-NH2 3.19Å; E284-Y340 PolarHBondContact O-OH 3.17Å; E284-Y340 PolarHBondContact OE1-OH 3.41Å |
| 285 | V | 94.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 174.8 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | L280 N281 F282 S288 L289 I303 L336 Y340 | L280-V285 HydrophobicContact CD1-CG2 4.35Å; L280-V285 HydrophobicContact CD2-CG2 3.5Å; L280-V285 VanDerWaalsContact CD2-CG2 3.5Å; L280-V285 HydrophobicContact CG-CG2 3.98Å; N281-V285 PolarHBondContact O-N 2.77Å; F282-V285 PolarHBondContact O-N 3.48Å; V285-S288 PolarHBondContact O-N 2.97Å; V285-L289 HydrophobicContact CG1-CD1 3.92Å; V285-L289 HydrophobicContact CG1-CG 4.48Å; V285-L289 WeakPolarHBondContact O-CG 3.49Å; V285-L289 PolarHBondContact O-N 3.1Å; V285-I303 HydrophobicContact CB-CD1 3.97Å; V285-I303 HydrophobicContact CG1-CD1 3.9Å; V285-I303 HydrophobicContact CG2-CD1 4.11Å; V285-L336 HydrophobicContact CG1-CD2 3.74Å; V285-Y340 HydrophobicContact CB-CE2 4.44Å; V285-Y340 HydrophobicContact CG2-CD1 3.68Å; V285-Y340 HydrophobicContact CG2-CD2 4.01Å; V285-Y340 HydrophobicContact CG2-CE1 3.64Å; V285-Y340 HydrophobicContact CG2-CE2 3.95Å; V285-Y340 HydrophobicContact CG2-CG 3.87Å |
| 286 | K | 94.2 | Very high | 92.1 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 13% | 0.13 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.2 | -52.1 | 177 | -170.4 | -168.4 | -178.9 | -134.4 | 0 | 111.6 | F282 N283 S288 L289 M290 L301 E364 | F282-K286 WeakPolarHBondContact O-CB 3.45Å; F282-K286 PolarHBondContact O-N 3.48Å; N283-K286 PolarHBondContact O-N 3.27Å; K286-S288 VanDerWaalsContact C-N 3.34Å; K286-S288 PolarHBondContact O-N 3.43Å; K286-L289 PolarHBondContact O-N 3.37Å; K286-M290 HydrophobicContact CD-CE 4.27Å; K286-M290 HydrophobicContact CG-CE 4.1Å; K286-M290 WeakPolarHBondContact O-CG 3.48Å; K286-M290 PolarHBondContact O-N 3.14Å; K286-L301 HydrophobicContact CB-CD2 3.98Å; K286-L301 HydrophobicContact CG-CD2 4.47Å; K286-E364 WeakPolarHBondContact CE-OE1 3.24Å; K286-E364 IonicContact NZ-OE1 2.93Å; K286-E364 PolarHBondContact NZ-OE1 3.02Å |
| 287 | S | 94.5 | Very high | 92.1 | Very high | 58 Ų | 58 | 57 Ų | 57 | 41% | 0.406 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.5 | -45.5 | 179.7 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | N283 E284 L289 M290 D291 | N283-S287 WeakPolarHBondContact O-CB 3.28Å; N283-S287 PolarHBondContact O-N 3.21Å; N283-S287 PolarHBondContact O-OG 3.28Å; N283-S287 VanDerWaalsContact O-OG 3.05Å; E284-S287 PolarHBondContact O-N 3.39Å; S287-L289 VanDerWaalsContact C-N 3.29Å; S287-L289 PolarHBondContact O-N 3.29Å; S287-M290 PolarHBondContact O-N 3.32Å; S287-M290 VanDerWaalsContact O-N 3.07Å; S287-D291 VanDerWaalsContact O-CG 3.28Å; S287-D291 PolarHBondContact O-N 3.21Å |
| 288 | S | 95.2 | Very high | 92.3 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -30.6 | -178.8 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | E284 V285 K286 L335 R339 Y340 | E284-S288 WeakPolarHBondContact O-CB 3.37Å; E284-S288 PolarHBondContact O-N 3.26Å; E284-S288 PolarHBondContact O-OG 3.22Å; V285-S288 PolarHBondContact O-N 2.97Å; K286-S288 VanDerWaalsContact C-N 3.34Å; K286-S288 PolarHBondContact O-N 3.43Å; S288-L335 VanDerWaalsContact O-CD2 3.29Å; S288-L335 WeakPolarHBondContact O-CD2 3.33Å; S288-R339 PolarHBondContact OG-NH1 3.05Å; S288-Y340 WeakPolarHBondContact CB-OH 3.37Å; S288-Y340 PolarHBondContact OG-OH 3.32Å |
| 289 | L | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74.8 | -32.5 | 172.5 | -74.4 | 168.8 | 0 | 0 | 0 | 112.2 | V285 K286 S287 D291 I292 I298 L301 V315 L317 A332 L335 L336 | V285-L289 HydrophobicContact CG1-CD1 3.92Å; V285-L289 HydrophobicContact CG1-CG 4.48Å; V285-L289 WeakPolarHBondContact O-CG 3.49Å; V285-L289 PolarHBondContact O-N 3.1Å; K286-L289 PolarHBondContact O-N 3.37Å; S287-L289 VanDerWaalsContact C-N 3.29Å; S287-L289 PolarHBondContact O-N 3.29Å; L289-D291 VanDerWaalsContact C-N 3.28Å; L289-I292 HydrophobicContact CD2-CD1 4.01Å; L289-I292 WeakPolarHBondContact O-CB 3.37Å; L289-I292 WeakPolarHBondContact O-CG1 3.47Å; L289-I292 PolarHBondContact O-N 3.35Å; L289-I298 HydrophobicContact CB-CD1 3.18Å; L289-I298 HydrophobicContact CD1-CD1 4.28Å; L289-I298 HydrophobicContact CG-CD1 4.37Å; L289-L301 HydrophobicContact CD1-CD1 4.49Å; L289-V315 HydrophobicContact CD1-CG1 4.41Å; L289-V315 HydrophobicContact CD1-CG2 4.25Å; L289-L317 HydrophobicContact CB-CD2 4.48Å; L289-A332 HydrophobicContact CD2-CB 4.01Å; L289-L335 HydrophobicContact CD2-CD2 4.01Å; L289-L335 HydrophobicContact CG-CD2 4.25Å; L289-L336 HydrophobicContact CD1-CD2 4.28Å; L289-L336 HydrophobicContact CD2-CD1 4.25Å; L289-L336 HydrophobicContact CD2-CD2 4.41Å; L289-L336 HydrophobicContact CD2-CG 4.16Å |
| 290 | M | 94.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 36% | 0.355 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -70.3 | -26.3 | 175.2 | -73.4 | -170.5 | -62 | 0 | 0 | 112 | K286 S287 I292 I298 | K286-M290 HydrophobicContact CD-CE 4.27Å; K286-M290 HydrophobicContact CG-CE 4.1Å; K286-M290 WeakPolarHBondContact O-CG 3.48Å; K286-M290 PolarHBondContact O-N 3.14Å; S287-M290 PolarHBondContact O-N 3.32Å; S287-M290 VanDerWaalsContact O-N 3.07Å; M290-I292 PolarHBondContact O-N 3.18Å; M290-I298 HydrophobicContact CB-CD1 4.36Å; M290-I298 HydrophobicContact CG-CD1 3.53Å; M290-I298 HydrophobicContact CG-CG1 3.76Å |
| 291 | D | 95.3 | Very high | 93.5 | Very high | 129 Ų | 129 | 48.2 Ų | 48.2 | 69% | 0.69 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -7.3 | 176.7 | -67.6 | -24 | 0 | 0 | 0 | 113.3 | S287 L289 | S287-D291 VanDerWaalsContact O-CG 3.28Å; S287-D291 PolarHBondContact O-N 3.21Å; L289-D291 VanDerWaalsContact C-N 3.28Å |
| 292 | I | 94.5 | Very high | 93.7 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -73.9 | 124.3 | 178 | -61.3 | 175.5 | 0 | 0 | 0 | 109.7 | L289 M290 G294 V295 I328 Q331 A332 L335 | L289-I292 HydrophobicContact CD2-CD1 4.01Å; L289-I292 WeakPolarHBondContact O-CB 3.37Å; L289-I292 WeakPolarHBondContact O-CG1 3.47Å; L289-I292 PolarHBondContact O-N 3.35Å; M290-I292 PolarHBondContact O-N 3.18Å; I292-G294 PolarHBondContact O-N 2.93Å; I292-V295 HydrophobicContact CB-CG2 3.94Å; I292-V295 HydrophobicContact CG2-CG2 4.09Å; I292-V295 WeakPolarHBondContact O-CB 3.47Å; I292-V295 PolarHBondContact O-N 2.98Å; I292-V295 VanDerWaalsContact O-N 3.13Å; I292-I328 HydrophobicContact CG2-CG2 4.17Å; I292-Q331 HydrophobicContact CG2-CB 4.23Å; I292-A332 VanDerWaalsContact CD1-CA 3.49Å; I292-A332 HydrophobicContact CD1-CB 3.66Å; I292-L335 HydrophobicContact CD1-CD2 4.17Å |
| 293 | P | 93.8 | Very high | 93.8 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 63% | 0.63 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 129 | -179.8 | -25.5 | 34.4 | 0 | 0 | 0 | 112.8 | I328 | P293-I328 WeakPolarHBondContact O-CG1 3.35Š|
| 294 | G | 92.7 | Very high | 93.9 | Very high | 17 Ų | 17 | 45.5 Ų | 45.5 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | -6.8 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | I292 I319 E320 S323 | I292-G294 PolarHBondContact O-N 2.93Å; G294-I319 WeakPolarHBondContact O-CA 3.47Å; G294-I319 WeakPolarHBondContact O-CB 3.3Å; G294-E320 PolarHBondContact O-N 3.24Å; G294-S323 VanDerWaalsContact CA-OG 3.3Å; G294-S323 WeakPolarHBondContact CA-OG 3.32Å |
| 295 | V | 94.7 | Very high | 93.7 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 10% | 0.097 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.5 | 168.6 | -179.2 | 0 | 0 | 0 | 0 | 109.2 | I292 I298 L317 I319 I328 | I292-V295 HydrophobicContact CB-CG2 3.94Å; I292-V295 HydrophobicContact CG2-CG2 4.09Å; I292-V295 WeakPolarHBondContact O-CB 3.47Å; I292-V295 PolarHBondContact O-N 2.98Å; I292-V295 VanDerWaalsContact O-N 3.13Å; V295-I298 HydrophobicContact CG1-CD1 4.45Å; V295-I298 HydrophobicContact CG1-CG1 3.96Å; V295-L317 HydrophobicContact CG1-CB 4.48Å; V295-L317 HydrophobicContact CG1-CD2 4.34Å; V295-L317 HydrophobicContact CG2-CD1 4.4Å; V295-I319 HydrophobicContact CG2-CG2 4.42Å; V295-I328 HydrophobicContact CG2-CG2 3.74Å |
| 296 | R | 92.7 | Very high | 93.4 | Very high | 138 Ų | 138 | 42.2 Ų | 42.2 | 52% | 0.521 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -38 | -179.7 | -177.6 | 166.2 | 171.6 | 178.5 | -1.7 | 112.7 | A318 E320 Y352 | R296-A318 PolarHBondContact N-O 3.26Å; R296-E320 HydrophobicContact CB-CG 4.46Å; R296-Y352 HydrophobicContact CB-CD2 4.04Å; R296-Y352 HydrophobicContact CB-CG 4.3Å; R296-Y352 VanDerWaalsContact CD-CG 3.46Å; R296-Y352 HydrophobicContact CG-CD2 3.71Å; R296-Y352 HydrophobicContact CG-CE2 3.93Å; R296-Y352 HydrophobicContact CG-CG 4.01Å |
| 297 | E | 91.8 | Very high | 93 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 154.8 | 178.5 | -174.5 | 170 | -178.8 | 0 | 0 | 110.9 | A318 Y352 | E297-A318 HydrophobicContact CB-CB 4.14Å; E297-A318 PolarHBondContact N-O 3.02Å; E297-A318 PolarHBondContact O-N 2.91Å; E297-Y352 HydrophobicContact CB-CD2 4.08Å; E297-Y352 HydrophobicContact CB-CE2 3.96Å; E297-Y352 VanDerWaalsContact OE2-CE2 3.28Å; E297-Y352 WeakPolarHBondContact OE2-CE2 3.41Å |
| 298 | I | 93.1 | Very high | 92.3 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 5% | 0.046 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.5 | 174.5 | -58.2 | -174 | 0 | 0 | 0 | 108.7 | L289 M290 V295 L301 V315 L317 | L289-I298 HydrophobicContact CB-CD1 3.18Å; L289-I298 HydrophobicContact CD1-CD1 4.28Å; L289-I298 HydrophobicContact CG-CD1 4.37Å; M290-I298 HydrophobicContact CB-CD1 4.36Å; M290-I298 HydrophobicContact CG-CD1 3.53Å; M290-I298 HydrophobicContact CG-CG1 3.76Å; V295-I298 HydrophobicContact CG1-CD1 4.45Å; V295-I298 HydrophobicContact CG1-CG1 3.96Å; I298-L301 HydrophobicContact CG2-CB 4.41Å; I298-V315 HydrophobicContact CG2-CG2 3.4Å; I298-V315 VanDerWaalsContact CG2-CG2 3.4Å; I298-L317 HydrophobicContact CB-CD2 4.44Å; I298-L317 HydrophobicContact CD1-CD2 3.76Å; I298-L317 HydrophobicContact CG1-CD2 3.67Å; I298-L317 HydrophobicContact CG2-CD2 4.2Å |
| 299 | H | 92.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 5% | 0.051 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 168.6 | 175.8 | 53.4 | 98.3 | 0 | 0 | 0 | 110.7 | L301 H316 E350 C362 | H299-L301 PolarHBondContact O-N 3.47Å; H299-L301 VanDerWaalsContact O-N 3.08Å; H299-H316 WeakPolarHBondContact CE1-CB 3.29Å; H299-H316 AromaticContact CE1-CG 3.96Å; H299-H316 AromaticContact CE1-ND1 3.88Å; H299-H316 PolarHBondContact N-O 3.29Å; H299-H316 VanDerWaalsContact N-O 3.11Å; H299-H316 WeakPolarHBondContact ND1-CB 3.02Å; H299-H316 WeakPolarHBondContact O-CB 3.35Å; H299-H316 PolarHBondContact O-N 3.49Å; H299-E350 IonicContact CE1-OE2 2.68Å; H299-E350 IonicContact NE2-OE2 3.08Å; H299-C362 HydrophobicContact CB-CB 3.69Å |
| 300 | N | 91.6 | Very high | 91.2 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.1 | 34.8 | 177.6 | -149.3 | 27.9 | 0 | 0 | 0 | 113.3 | H302 H316 | N300-H302 PolarHBondContact O-CD2 2.84Å; N300-H302 PolarHBondContact O-N 3.27Å; N300-H302 PolarHBondContact OD1-NE2 3.44Å; N300-H316 HydrophobicContact CB-CB 4.39Å; N300-H316 PolarHBondContact ND2-NE2 2.92Å; N300-H316 VanDerWaalsContact ND2-NE2 3.13Å |
| 301 | L | 93.9 | Very high | 91 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 111.6 | 177 | 176.5 | 60.4 | 0 | 0 | 0 | 108.7 | F282 K286 L289 I298 H299 I303 V313 S314 V315 | F282-L301 HydrophobicContact CD2-CD2 4.09Å; F282-L301 HydrophobicContact CD2-CG 4.31Å; F282-L301 HydrophobicContact CE1-CD2 4.37Å; F282-L301 HydrophobicContact CE2-CB 3.96Å; F282-L301 HydrophobicContact CE2-CD2 3.68Å; F282-L301 HydrophobicContact CE2-CG 3.68Å; F282-L301 WeakPolarHBondContact CE2-O 3.28Å; F282-L301 HydrophobicContact CZ-CB 4.05Å; F282-L301 HydrophobicContact CZ-CD2 3.83Å; F282-L301 HydrophobicContact CZ-CG 4.12Å; K286-L301 HydrophobicContact CB-CD2 3.98Å; K286-L301 HydrophobicContact CG-CD2 4.47Å; L289-L301 HydrophobicContact CD1-CD1 4.49Å; I298-L301 HydrophobicContact CG2-CB 4.41Å; H299-L301 PolarHBondContact O-N 3.47Å; H299-L301 VanDerWaalsContact O-N 3.08Å; L301-I303 HydrophobicContact CD1-CD1 4.07Å; L301-I303 HydrophobicContact CD1-CG1 3.89Å; L301-I303 HydrophobicContact CD2-CD1 4.27Å; L301-I303 HydrophobicContact CG-CD1 4.2Å; L301-I303 HydrophobicContact CG-CG1 4.13Å; L301-V313 HydrophobicContact CD1-CG1 4.1Å; L301-S314 WeakPolarHBondContact CA-O 3.1Å; L301-V315 HydrophobicContact CB-CG2 4.18Å; L301-V315 HydrophobicContact CD1-CB 3.8Å; L301-V315 HydrophobicContact CD1-CG2 3.82Å |
| 302 | H | 93.8 | Very high | 90.9 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 126.5 | 174.4 | -66.5 | -64.2 | 0 | 0 | 0 | 109.4 | N300 W304 V313 S314 | N300-H302 PolarHBondContact O-CD2 2.84Å; N300-H302 PolarHBondContact O-N 3.27Å; N300-H302 PolarHBondContact OD1-NE2 3.44Å; H302-W304 HydrophobicContact CB-CE3 3.89Å; H302-W304 HydrophobicContact CB-CZ3 3.76Å; H302-V313 CarbonylContact O-C 3Å; H302-V313 WeakPolarHBondContact O-CA 3.42Å; H302-S314 PolarHBondContact N-O 2.85Å; H302-S314 PolarHBondContact O-N 3.34Å |
| 303 | I | 94.3 | Very high | 90.9 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 5% | 0.046 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 116.4 | 177.8 | -51.2 | -179.7 | 0 | 0 | 0 | 106.4 | T276 L280 F282 V285 L301 T311 V313 | T276-I303 WeakPolarHBondContact CA-O 3.49Å; T276-I303 HydrophobicContact CG2-CB 4.26Å; T276-I303 HydrophobicContact CG2-CG2 4.07Å; T276-I303 PolarHBondContact OG1-O 3.23Å; L280-I303 HydrophobicContact CD1-CG2 4Å; L280-I303 HydrophobicContact CD2-CD1 3.62Å; L280-I303 HydrophobicContact CD2-CG2 3.9Å; F282-I303 HydrophobicContact CD2-CD1 4.41Å; V285-I303 HydrophobicContact CB-CD1 3.97Å; V285-I303 HydrophobicContact CG1-CD1 3.9Å; V285-I303 HydrophobicContact CG2-CD1 4.11Å; L301-I303 HydrophobicContact CD1-CD1 4.07Å; L301-I303 HydrophobicContact CD1-CG1 3.89Å; L301-I303 HydrophobicContact CD2-CD1 4.27Å; L301-I303 HydrophobicContact CG-CD1 4.2Å; L301-I303 HydrophobicContact CG-CG1 4.13Å; I303-T311 HydrophobicContact CG2-CG2 3.81Å; I303-V313 HydrophobicContact CG1-CG1 4.33Å; I303-V313 HydrophobicContact CG1-CG2 4.36Å; I303-V313 HydrophobicContact CG2-CG2 4.13Å |
| 304 | W | 94.6 | Very high | 91 | Very high | 42 Ų | 42 | 36.2 Ų | 36.2 | 16% | 0.159 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 156.2 | -177.5 | 68.8 | 97.1 | 0 | 0 | 0 | 111.7 | E274 H302 A312 | E274-W304 HydrophobicContact CB-CB 3.94Å; E274-W304 HydrophobicContact CB-CG 4.42Å; E274-W304 WeakPolarHBondContact O-CB 3.25Å; H302-W304 HydrophobicContact CB-CE3 3.89Å; H302-W304 HydrophobicContact CB-CZ3 3.76Å; W304-A312 HydrophobicContact CD2-CB 3.97Å; W304-A312 VanDerWaalsContact CE2-CB 3.4Å; W304-A312 HydrophobicContact CG-CB 4.46Å; W304-A312 HydrophobicContact CH2-CB 4.1Å; W304-A312 HydrophobicContact CZ2-CB 3.49Å; W304-A312 VanDerWaalsContact CZ2-CB 3.49Å; W304-A312 PolarHBondContact N-O 3.5Å; W304-A312 PolarHBondContact O-N 3.17Å |
| 305 | S | 91.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 6% | 0.056 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.7 | 177.1 | -50.4 | 0 | 0 | 0 | 0 | 110 | A275 P277 | A275-S305 PolarHBondContact O-N 2.9Å; A275-S305 PolarHBondContact O-OG 3.48Å; A275-S305 VanDerWaalsContact O-OG 3.14Å; P277-S305 VanDerWaalsContact CA-OG 3.31Å; P277-S305 WeakPolarHBondContact CA-OG 3.3Å; P277-S305 VanDerWaalsContact CB-OG 3.32Å; P277-S305 WeakPolarHBondContact CB-OG 3.3Å; P277-S305 WeakPolarHBondContact CD-OG 3.45Å |
| 306 | L | 86.5 | Confident | 91.2 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -35.4 | 167.3 | -69.8 | 174.1 | 0 | 0 | 0 | 111.3 | F127 R131 K310 A312 D344 | F127-L306 HydrophobicContact CB-CD2 4.47Å; F127-L306 HydrophobicContact CD1-CD1 4.22Å; F127-L306 HydrophobicContact CD1-CD2 4.4Å; F127-L306 HydrophobicContact CG-CD2 4.3Å; R131-L306 WeakPolarHBondContact CG-O 3.28Å; L306-K310 HydrophobicContact CB-CB 4.12Å; L306-K310 PolarHBondContact N-O 3.49Å; L306-A312 HydrophobicContact CD1-CB 3.99Å; L306-A312 HydrophobicContact CG-CB 4.02Å; L306-D344 VanDerWaalsContact CD1-OD2 3.29Å; L306-D344 WeakPolarHBondContact CD1-OD2 3.49Å |
| 307 | T | 85.5 | Confident | 91.3 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | -177.6 | 171.7 | 61.1 | 0 | 0 | 0 | 0 | 108.2 | H130 N309 K310 | H130-T307 HydrophobicContact CB-CG2 3.59Å; H130-T307 VanDerWaalsContact O-CG2 3.31Å; H130-T307 WeakPolarHBondContact O-CG2 3.5Å; T307-N309 PolarHBondContact O-N 3Å; T307-N309 PolarHBondContact OG1-N 3.49Å; T307-K310 PolarHBondContact N-O 3Å; T307-K310 WeakPolarHBondContact OG1-CB 3.49Å; T307-K310 WeakPolarHBondContact OG1-CG 3.19Å; T307-K310 PolarHBondContact OG1-N 3.22Å; T307-K310 VanDerWaalsContact OG1-N 3.08Å |
| 308 | T | 80.7 | Confident | 91.4 | Very high | 88 Ų | 88 | 27 Ų | 27 | 54% | 0.54 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.9 | 172.3 | 47.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 309 | N | 81.4 | Confident | 91.5 | Very high | 111 Ų | 111 | 26.8 Ų | 26.8 | 59% | 0.594 | 14% | 0.141 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | 5.2 | -174.3 | -63.3 | -29.9 | 0 | 0 | 0 | 114.1 | T307 | T307-N309 PolarHBondContact O-N 3Å; T307-N309 PolarHBondContact OG1-N 3.49Å |
| 310 | K | 85.9 | Confident | 91.5 | Very high | 29 Ų | 29 | 31.1 Ų | 31.1 | 13% | 0.126 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 116.3 | 179.4 | -65 | -172.5 | 176.7 | -152 | 0 | 110 | H130 L306 T307 H343 | H130-K310 PolarHBondContact CE1-NZ 3.05Å; H130-K310 PolarHBondContact NE2-NZ 2.98Å; L306-K310 HydrophobicContact CB-CB 4.12Å; L306-K310 PolarHBondContact N-O 3.49Å; T307-K310 PolarHBondContact N-O 3Å; T307-K310 WeakPolarHBondContact OG1-CB 3.49Å; T307-K310 WeakPolarHBondContact OG1-CG 3.19Å; T307-K310 PolarHBondContact OG1-N 3.22Å; T307-K310 VanDerWaalsContact OG1-N 3.08Å; K310-H343 HydrophobicContact CB-CB 4.22Å; K310-H343 HydrophobicContact CG-CB 4.47Å; K310-H343 PolarHBondContact NZ-NE2 2.66Å |
| 311 | T | 90.5 | Very high | 91.4 | Very high | 19 Ų | 19 | 33.8 Ų | 33.8 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 138 | 177.1 | -53.8 | 0 | 0 | 0 | 0 | 109.7 | P277 L280 I303 V313 H343 D344 | P277-T311 HydrophobicContact CG-CG2 3.82Å; L280-T311 HydrophobicContact CD1-CG2 4.24Å; I303-T311 HydrophobicContact CG2-CG2 3.81Å; T311-V313 HydrophobicContact CG2-CG2 4.39Å; T311-H343 WeakPolarHBondContact O-CB 3.01Å; T311-H343 PolarHBondContact O-N 3.47Å; T311-D344 PolarHBondContact O-N 2.97Å |
| 312 | A | 93 | Very high | 91.1 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.008 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | W304 L306 D344 | W304-A312 HydrophobicContact CD2-CB 3.97Å; W304-A312 VanDerWaalsContact CE2-CB 3.4Å; W304-A312 HydrophobicContact CG-CB 4.46Å; W304-A312 HydrophobicContact CH2-CB 4.1Å; W304-A312 HydrophobicContact CZ2-CB 3.49Å; W304-A312 VanDerWaalsContact CZ2-CB 3.49Å; W304-A312 PolarHBondContact N-O 3.5Å; W304-A312 PolarHBondContact O-N 3.17Å; L306-A312 HydrophobicContact CD1-CB 3.99Å; L306-A312 HydrophobicContact CG-CB 4.02Å; A312-D344 CarbonylContact C-O 3.42Å; A312-D344 VanDerWaalsContact CA-O 3.27Å; A312-D344 WeakPolarHBondContact CA-O 3.42Å; A312-D344 HydrophobicContact CB-CB 4.12Å |
| 313 | V | 95 | Very high | 90.8 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 129.7 | -179.6 | -179.5 | 0 | 0 | 0 | 0 | 109 | L301 H302 I303 T311 L336 A342 D344 V345 T346 | L301-V313 HydrophobicContact CD1-CG1 4.1Å; H302-V313 CarbonylContact O-C 3Å; H302-V313 WeakPolarHBondContact O-CA 3.42Å; I303-V313 HydrophobicContact CG1-CG1 4.33Å; I303-V313 HydrophobicContact CG1-CG2 4.36Å; I303-V313 HydrophobicContact CG2-CG2 4.13Å; T311-V313 HydrophobicContact CG2-CG2 4.39Å; V313-L336 HydrophobicContact CB-CD1 4.48Å; V313-L336 HydrophobicContact CG1-CD1 3.93Å; V313-L336 HydrophobicContact CG1-CD2 4.17Å; V313-A342 HydrophobicContact CG2-CB 3.83Å; V313-D344 PolarHBondContact N-O 3.48Å; V313-V345 WeakPolarHBondContact O-CA 3.36Å; V313-T346 PolarHBondContact O-N 3.22Å |
| 314 | S | 95.6 | Very high | 90.7 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.7 | 167.2 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | L301 H302 T346 | L301-S314 WeakPolarHBondContact CA-O 3.1Å; H302-S314 PolarHBondContact N-O 2.85Å; H302-S314 PolarHBondContact O-N 3.34Å; S314-T346 VanDerWaalsContact CA-O 3.29Å; S314-T346 WeakPolarHBondContact CA-O 3.41Å; S314-T346 WeakPolarHBondContact CA-OG1 3.41Å; S314-T346 VanDerWaalsContact CB-OG1 3.25Å; S314-T346 WeakPolarHBondContact CB-OG1 3.31Å; S314-T346 PolarHBondContact OG-OG1 2.9Å; S314-T346 VanDerWaalsContact OG-OG1 3.1Å |
| 315 | V | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 146.9 | -177.7 | 63.9 | 0 | 0 | 0 | 0 | 111.7 | L289 I298 L301 L317 T346 I347 Q348 | L289-V315 HydrophobicContact CD1-CG1 4.41Å; L289-V315 HydrophobicContact CD1-CG2 4.25Å; I298-V315 HydrophobicContact CG2-CG2 3.4Å; I298-V315 VanDerWaalsContact CG2-CG2 3.4Å; L301-V315 HydrophobicContact CB-CG2 4.18Å; L301-V315 HydrophobicContact CD1-CB 3.8Å; L301-V315 HydrophobicContact CD1-CG2 3.82Å; V315-L317 HydrophobicContact CG1-CD2 4.38Å; V315-L317 HydrophobicContact CG1-CG 4.46Å; V315-L317 HydrophobicContact CG2-CD2 3.88Å; V315-T346 PolarHBondContact N-O 3.05Å; V315-I347 HydrophobicContact CG1-CB 4.36Å; V315-I347 HydrophobicContact CG1-CG1 3.79Å; V315-I347 HydrophobicContact CG1-CG2 4.33Å; V315-I347 WeakPolarHBondContact O-CA 3.2Å; V315-Q348 PolarHBondContact O-N 3.36Å |
| 316 | H | 95.2 | Very high | 90.6 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 12% | 0.116 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 126.4 | 169.5 | -64.9 | -142.7 | 0 | 0 | 0 | 108.7 | H299 N300 Q348 E350 | H299-H316 WeakPolarHBondContact CE1-CB 3.29Å; H299-H316 AromaticContact CE1-CG 3.96Å; H299-H316 AromaticContact CE1-ND1 3.88Å; H299-H316 PolarHBondContact N-O 3.29Å; H299-H316 VanDerWaalsContact N-O 3.11Å; H299-H316 WeakPolarHBondContact ND1-CB 3.02Å; H299-H316 WeakPolarHBondContact O-CB 3.35Å; H299-H316 PolarHBondContact O-N 3.49Å; N300-H316 HydrophobicContact CB-CB 4.39Å; N300-H316 PolarHBondContact ND2-NE2 2.92Å; N300-H316 VanDerWaalsContact ND2-NE2 3.13Å; H316-Q348 CarbonylContact C-O 3.55Å; H316-Q348 VanDerWaalsContact CA-O 3.31Å; H316-Q348 WeakPolarHBondContact CA-O 3.46Å; H316-Q348 VanDerWaalsContact CE1-CD 3.41Å; H316-Q348 PolarHBondContact CE1-NE2 3.41Å; H316-Q348 PolarHBondContact CE1-OE1 3.31Å; H316-E350 IonicContact CE1-OE1 3.42Å; H316-E350 IonicContact CG-OE1 2.76Å; H316-E350 IonicContact ND1-OE1 3.11Å; H316-E350 PolarHBondContact ND1-OE1 3.42Å |
| 317 | L | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.4 | 178.3 | -57.1 | -179.4 | 0 | 0 | 0 | 108.3 | L289 V295 I298 V315 I328 A332 I347 Q348 L349 E350 | L289-L317 HydrophobicContact CB-CD2 4.48Å; V295-L317 HydrophobicContact CG1-CB 4.48Å; V295-L317 HydrophobicContact CG1-CD2 4.34Å; V295-L317 HydrophobicContact CG2-CD1 4.4Å; I298-L317 HydrophobicContact CB-CD2 4.44Å; I298-L317 HydrophobicContact CD1-CD2 3.76Å; I298-L317 HydrophobicContact CG1-CD2 3.67Å; I298-L317 HydrophobicContact CG2-CD2 4.2Å; V315-L317 HydrophobicContact CG1-CD2 4.38Å; V315-L317 HydrophobicContact CG1-CG 4.46Å; V315-L317 HydrophobicContact CG2-CD2 3.88Å; L317-I328 HydrophobicContact CD1-CG2 4.41Å; L317-A332 HydrophobicContact CD1-CB 3.85Å; L317-I347 HydrophobicContact CD1-CG2 3.6Å; L317-I347 HydrophobicContact CG-CG2 3.92Å; L317-Q348 PolarHBondContact N-O 3.35Å; L317-L349 HydrophobicContact CB-CD2 3.92Å; L317-L349 HydrophobicContact CD1-CD2 4.31Å; L317-E350 PolarHBondContact O-N 3.47Å |
| 318 | A | 94.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | R296 E297 E350 Y352 M356 | R296-A318 PolarHBondContact N-O 3.26Å; E297-A318 HydrophobicContact CB-CB 4.14Å; E297-A318 PolarHBondContact N-O 3.02Å; E297-A318 PolarHBondContact O-N 2.91Å; A318-E350 CarbonylContact C-O 3.53Å; A318-E350 WeakPolarHBondContact CA-O 3.43Å; A318-Y352 HydrophobicContact CB-CD2 4.02Å; A318-M356 HydrophobicContact CB-SD 3.88Å |
| 319 | I | 95.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 160.4 | -174.6 | 63 | 164.3 | 0 | 0 | 0 | 112.3 | G294 V295 T325 I328 L349 E350 L351 Y352 | G294-I319 WeakPolarHBondContact O-CA 3.47Å; G294-I319 WeakPolarHBondContact O-CB 3.3Å; V295-I319 HydrophobicContact CG2-CG2 4.42Å; I319-T325 HydrophobicContact CD1-CG2 3.44Å; I319-T325 VanDerWaalsContact CD1-CG2 3.44Å; I319-I328 HydrophobicContact CB-CD1 4.22Å; I319-I328 HydrophobicContact CG2-CD1 3.74Å; I319-I328 HydrophobicContact CG2-CG2 4.21Å; I319-L349 HydrophobicContact CG2-CD2 3.71Å; I319-E350 VanDerWaalsContact CG1-O 3.3Å; I319-E350 WeakPolarHBondContact CG1-O 3.18Å; I319-E350 PolarHBondContact N-O 3.45Å; I319-L351 HydrophobicContact CG1-CD2 4.27Å; I319-Y352 PolarHBondContact O-N 3.02Å |
| 320 | E | 92.9 | Very high | 92.3 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 48% | 0.481 | 26% | 0.256 | S | S | . | . | trans | -72.1 | 149.5 | 172.2 | -59.6 | -179.9 | 166.8 | 0 | 0 | 111.7 | G294 R296 D322 S323 | G294-E320 PolarHBondContact O-N 3.24Å; R296-E320 HydrophobicContact CB-CG 4.46Å; E320-D322 PolarHBondContact O-N 3.44Å; E320-D322 VanDerWaalsContact O-N 3.14Å; E320-S323 WeakPolarHBondContact O-CB 3.46Å; E320-S323 PolarHBondContact O-N 2.99Å; E320-S323 VanDerWaalsContact O-N 3.13Å | ||
| 321 | N | 88.8 | Confident | 92.6 | Very high | 119 Ų | 119 | 51.7 Ų | 51.7 | 64% | 0.636 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -31.1 | -175.3 | -75 | -19.3 | 0 | 0 | 0 | 114.5 | ||
| 322 | D | 87.7 | Confident | 92.8 | Very high | 169 Ų | 169 | 50.8 Ų | 50.8 | 90% | 0.904 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 7 | -175.3 | -61.4 | -33.3 | 0 | 0 | 0 | 113.2 | E320 | E320-D322 PolarHBondContact O-N 3.44Å; E320-D322 VanDerWaalsContact O-N 3.14Å |
| 323 | S | 88 | Confident | 92.8 | Very high | 29 Ų | 29 | 52 Ų | 52 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -81.6 | 146.5 | -175.8 | -73.4 | 0 | 0 | 0 | 0 | 113.7 | G294 E320 T325 | G294-S323 VanDerWaalsContact CA-OG 3.3Å; G294-S323 WeakPolarHBondContact CA-OG 3.32Å; E320-S323 WeakPolarHBondContact O-CB 3.46Å; E320-S323 PolarHBondContact O-N 2.99Å; E320-S323 VanDerWaalsContact O-N 3.13Å; S323-T325 PolarHBondContact O-N 2.79Å; S323-T325 VanDerWaalsContact O-N 3.1Å |
| 324 | N | 91.7 | Very high | 92.6 | Very high | 102 Ų | 102 | 58.9 Ų | 58.9 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | trans | -77.1 | 97.7 | 173.7 | -174.8 | -20.1 | 0 | 0 | 0 | 110.9 | Q326 E327 I328 | N324-Q326 VanDerWaalsContact C-N 3.29Å; N324-Q326 PolarHBondContact O-N 3.37Å; N324-Q326 PolarHBondContact OD1-N 3.36Å; N324-E327 HydrophobicContact CB-CB 3.99Å; N324-E327 PolarHBondContact O-N 3.3Å; N324-E327 VanDerWaalsContact O-N 3.15Å; N324-E327 PolarHBondContact OD1-N 3.49Å; N324-I328 PolarHBondContact O-N 3.38Å; N324-I328 VanDerWaalsContact O-N 3.08Å | ||
| 325 | T | 92.7 | Very high | 92.5 | Very high | 62 Ų | 62 | 59 Ų | 59 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -50.2 | -43.4 | 179.4 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | I319 S323 L329 L349 | I319-T325 HydrophobicContact CD1-CG2 3.44Å; I319-T325 VanDerWaalsContact CD1-CG2 3.44Å; S323-T325 PolarHBondContact O-N 2.79Å; S323-T325 VanDerWaalsContact O-N 3.1Å; T325-L329 WeakPolarHBondContact O-CB 3.36Å; T325-L329 PolarHBondContact O-N 3.43Å; T325-L349 VanDerWaalsContact O-CD1 3.28Å; T325-L349 WeakPolarHBondContact O-CD1 3.34Å |
| 326 | Q | 90.9 | Very high | 92.3 | Very high | 113 Ų | 113 | 59 Ų | 59 | 53% | 0.528 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.7 | -37.2 | -177.1 | -69.1 | -64.5 | -37.5 | 0 | 0 | 112 | N324 K330 | N324-Q326 VanDerWaalsContact C-N 3.29Å; N324-Q326 PolarHBondContact O-N 3.37Å; N324-Q326 PolarHBondContact OD1-N 3.36Å; Q326-K330 WeakPolarHBondContact O-CB 3.31Å; Q326-K330 VanDerWaalsContact O-CG 3.26Å; Q326-K330 WeakPolarHBondContact O-CG 3.27Å; Q326-K330 PolarHBondContact O-N 3.16Å |
| 327 | E | 91.2 | Very high | 92.1 | Very high | 79 Ų | 79 | 59.9 Ų | 59.9 | 37% | 0.369 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -69.3 | -45.4 | 178.4 | -172.2 | 57.2 | -152.3 | 0 | 0 | 111 | N324 L329 K330 Q331 | N324-E327 HydrophobicContact CB-CB 3.99Å; N324-E327 PolarHBondContact O-N 3.3Å; N324-E327 VanDerWaalsContact O-N 3.15Å; N324-E327 PolarHBondContact OD1-N 3.49Å; E327-L329 VanDerWaalsContact C-N 3.34Å; E327-L329 PolarHBondContact O-N 3.29Å; E327-K330 PolarHBondContact O-N 3.26Å; E327-Q331 WeakPolarHBondContact O-CG 3.37Å; E327-Q331 PolarHBondContact O-N 3.49Å; E327-Q331 PolarHBondContact OE1-NE2 3.06Å |
| 328 | I | 93.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 64.1 Ų | 64.1 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.2 | -46 | 175 | -65.8 | 176.3 | 0 | 0 | 0 | 110.6 | I292 P293 V295 L317 I319 N324 K330 Q331 A332 L349 | I292-I328 HydrophobicContact CG2-CG2 4.17Å; P293-I328 WeakPolarHBondContact O-CG1 3.35Å; V295-I328 HydrophobicContact CG2-CG2 3.74Å; L317-I328 HydrophobicContact CD1-CG2 4.41Å; I319-I328 HydrophobicContact CB-CD1 4.22Å; I319-I328 HydrophobicContact CG2-CD1 3.74Å; I319-I328 HydrophobicContact CG2-CG2 4.21Å; N324-I328 PolarHBondContact O-N 3.38Å; N324-I328 VanDerWaalsContact O-N 3.08Å; I328-K330 VanDerWaalsContact C-N 3.33Å; I328-K330 PolarHBondContact O-N 2.98Å; I328-Q331 PolarHBondContact O-N 2.95Å; I328-A332 VanDerWaalsContact O-CB 3.3Å; I328-A332 WeakPolarHBondContact O-CB 3.12Å; I328-A332 PolarHBondContact O-N 3.49Å; I328-L349 HydrophobicContact CG2-CD2 3.92Å |
| 329 | L | 93.7 | Very high | 91.4 | Very high | 50 Ų | 50 | 70.8 Ų | 70.8 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.1 | -44.5 | 178.3 | -173.3 | 61.4 | 0 | 0 | 0 | 111.8 | T325 E327 N333 I347 L349 | T325-L329 WeakPolarHBondContact O-CB 3.36Å; T325-L329 PolarHBondContact O-N 3.43Å; E327-L329 VanDerWaalsContact C-N 3.34Å; E327-L329 PolarHBondContact O-N 3.29Å; L329-N333 WeakPolarHBondContact O-CB 3.45Å; L329-N333 PolarHBondContact O-N 3.48Å; L329-I347 HydrophobicContact CD1-CB 3.69Å; L329-I347 HydrophobicContact CD1-CD1 4.07Å; L329-I347 HydrophobicContact CD1-CG2 3.82Å; L329-L349 HydrophobicContact CB-CD1 3.88Å; L329-L349 HydrophobicContact CD1-CD1 4.32Å |
| 330 | K | 91.5 | Very high | 91.1 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 45% | 0.452 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 178.6 | -76.6 | 175.8 | -177.6 | -177.1 | 0 | 111.6 | P43 Q326 E327 I328 N333 Y334 | P43-K330 HydrophobicContact CG-CD 4.3Å; Q326-K330 WeakPolarHBondContact O-CB 3.31Å; Q326-K330 VanDerWaalsContact O-CG 3.26Å; Q326-K330 WeakPolarHBondContact O-CG 3.27Å; Q326-K330 PolarHBondContact O-N 3.16Å; E327-K330 PolarHBondContact O-N 3.26Å; I328-K330 VanDerWaalsContact C-N 3.33Å; I328-K330 PolarHBondContact O-N 2.98Å; K330-N333 PolarHBondContact O-N 2.91Å; K330-Y334 VanDerWaalsContact O-CB 3.28Å; K330-Y334 WeakPolarHBondContact O-CB 3.23Å; K330-Y334 PolarHBondContact O-N 3.28Å |
| 331 | Q | 92.6 | Very high | 90.9 | Very high | 72 Ų | 72 | 73.3 Ų | 73.3 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 179 | -70.1 | -179.8 | 10.8 | 0 | 0 | 111.7 | I292 E327 I328 Y334 L335 | I292-Q331 HydrophobicContact CG2-CB 4.23Å; E327-Q331 WeakPolarHBondContact O-CG 3.37Å; E327-Q331 PolarHBondContact O-N 3.49Å; E327-Q331 PolarHBondContact OE1-NE2 3.06Å; I328-Q331 PolarHBondContact O-N 2.95Å; Q331-Y334 PolarHBondContact O-N 2.97Å; Q331-L335 WeakPolarHBondContact O-CB 3.45Å; Q331-L335 PolarHBondContact O-N 2.94Å |
| 332 | A | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L289 I292 L317 I328 L335 L336 I347 | L289-A332 HydrophobicContact CD2-CB 4.01Å; I292-A332 VanDerWaalsContact CD1-CA 3.49Å; I292-A332 HydrophobicContact CD1-CB 3.66Å; L317-A332 HydrophobicContact CD1-CB 3.85Å; I328-A332 VanDerWaalsContact O-CB 3.3Å; I328-A332 WeakPolarHBondContact O-CB 3.12Å; I328-A332 PolarHBondContact O-N 3.49Å; A332-L335 PolarHBondContact O-N 3.2Å; A332-L336 WeakPolarHBondContact O-CG 2.74Å; A332-L336 PolarHBondContact O-N 3.06Å; A332-I347 HydrophobicContact CB-CD1 3.75Å |
| 333 | N | 92.9 | Very high | 90.8 | Very high | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.144 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 177 | -166.6 | -5.2 | 0 | 0 | 0 | 111.2 | L329 K330 L335 L336 K337 I347 | L329-N333 WeakPolarHBondContact O-CB 3.45Å; L329-N333 PolarHBondContact O-N 3.48Å; K330-N333 PolarHBondContact O-N 2.91Å; N333-L335 PolarHBondContact O-N 2.88Å; N333-L336 PolarHBondContact O-N 3.3Å; N333-K337 WeakPolarHBondContact O-CB 3.35Å; N333-K337 WeakPolarHBondContact O-CG 3.45Å; N333-K337 PolarHBondContact O-N 3.09Å; N333-K337 VanDerWaalsContact OD1-CD 3.32Å; N333-K337 WeakPolarHBondContact OD1-CD 3.43Å; N333-K337 WeakPolarHBondContact OD1-CE 3.5Å; N333-I347 HydrophobicContact CB-CD1 4.14Å |
| 334 | Y | 91.1 | Very high | 90.8 | Very high | 147 Ų | 147 | 64 Ų | 64 | 58% | 0.576 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.4 | -46.8 | 175.4 | -179.5 | -92.3 | 0 | 0 | 0 | 111.8 | K330 Q331 L336 K337 Q338 | K330-Y334 VanDerWaalsContact O-CB 3.28Å; K330-Y334 WeakPolarHBondContact O-CB 3.23Å; K330-Y334 PolarHBondContact O-N 3.28Å; Q331-Y334 PolarHBondContact O-N 2.97Å; Y334-L336 PolarHBondContact O-N 2.64Å; Y334-K337 PolarHBondContact O-N 2.97Å; Y334-Q338 HydrophobicContact CD1-CG 4.41Å; Y334-Q338 HydrophobicContact CD2-CG 3.74Å; Y334-Q338 HydrophobicContact CE1-CB 4.33Å; Y334-Q338 HydrophobicContact CE1-CG 4.23Å; Y334-Q338 HydrophobicContact CE2-CB 4.47Å; Y334-Q338 HydrophobicContact CE2-CG 3.55Å; Y334-Q338 HydrophobicContact CG-CG 4.17Å; Y334-Q338 VanDerWaalsContact O-CB 3.29Å; Y334-Q338 WeakPolarHBondContact O-CB 3.49Å; Y334-Q338 WeakPolarHBondContact O-CG 3.42Å; Y334-Q338 PolarHBondContact O-N 3.24Å |
| 335 | L | 92.4 | Very high | 90.9 | Very high | 29 Ų | 29 | 60.6 Ų | 60.6 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | I | π-helix | trans | -57.7 | -51.3 | 177.7 | 179.7 | 71.5 | 0 | 0 | 0 | 111.5 | S288 L289 I292 Q331 A332 N333 K337 R339 Y340 | S288-L335 VanDerWaalsContact O-CD2 3.29Å; S288-L335 WeakPolarHBondContact O-CD2 3.33Å; L289-L335 HydrophobicContact CD2-CD2 4.01Å; L289-L335 HydrophobicContact CG-CD2 4.25Å; I292-L335 HydrophobicContact CD1-CD2 4.17Å; Q331-L335 WeakPolarHBondContact O-CB 3.45Å; Q331-L335 PolarHBondContact O-N 2.94Å; A332-L335 PolarHBondContact O-N 3.2Å; N333-L335 PolarHBondContact O-N 2.88Å; L335-K337 PolarHBondContact O-N 3.43Å; L335-R339 HydrophobicContact CD1-CB 4.19Å; L335-R339 VanDerWaalsContact O-CB 3.24Å; L335-R339 WeakPolarHBondContact O-CB 3.48Å; L335-R339 PolarHBondContact O-N 3.42Å; L335-Y340 HydrophobicContact CD1-CE2 4.49Å; L335-Y340 HydrophobicContact CG-CE2 4.29Å |
| 336 | L | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -65.3 | -38.2 | -177.9 | -71.4 | 174.2 | 0 | 0 | 0 | 112.6 | V285 L289 V313 A332 N333 Y334 Y340 L341 A342 V345 I347 | V285-L336 HydrophobicContact CG1-CD2 3.74Å; L289-L336 HydrophobicContact CD1-CD2 4.28Å; L289-L336 HydrophobicContact CD2-CD1 4.25Å; L289-L336 HydrophobicContact CD2-CD2 4.41Å; L289-L336 HydrophobicContact CD2-CG 4.16Å; V313-L336 HydrophobicContact CB-CD1 4.48Å; V313-L336 HydrophobicContact CG1-CD1 3.93Å; V313-L336 HydrophobicContact CG1-CD2 4.17Å; A332-L336 WeakPolarHBondContact O-CG 2.74Å; A332-L336 PolarHBondContact O-N 3.06Å; N333-L336 PolarHBondContact O-N 3.3Å; Y334-L336 PolarHBondContact O-N 2.64Å; L336-Y340 HydrophobicContact CD2-CD2 4.21Å; L336-Y340 CarbonylContact O-C 3.58Å; L336-Y340 WeakPolarHBondContact O-CB 3.43Å; L336-Y340 PolarHBondContact O-N 3.28Å; L336-L341 PolarHBondContact O-N 3.37Å; L336-A342 HydrophobicContact CB-CB 4.35Å; L336-A342 WeakPolarHBondContact O-CB 3.33Å; L336-A342 PolarHBondContact O-N 3.09Å; L336-V345 HydrophobicContact CB-CG1 4.3Å; L336-V345 HydrophobicContact CB-CG2 3.93Å; L336-V345 HydrophobicContact CD1-CG1 3.55Å; L336-V345 HydrophobicContact CD1-CG2 4.44Å; L336-I347 HydrophobicContact CD1-CD1 4.22Å; L336-I347 HydrophobicContact CD1-CG1 4.33Å |
| 337 | K | 89.8 | Confident | 91.2 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 19% | 0.191 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -77.4 | -44.1 | -179.7 | -71.8 | -169.1 | 171.8 | -161.1 | 0 | 113.7 | C49 N333 Y334 L335 L341 V345 | C49-K337 PolarHBondContact O-NZ 3.3Å; N333-K337 WeakPolarHBondContact O-CB 3.35Å; N333-K337 WeakPolarHBondContact O-CG 3.45Å; N333-K337 PolarHBondContact O-N 3.09Å; N333-K337 VanDerWaalsContact OD1-CD 3.32Å; N333-K337 WeakPolarHBondContact OD1-CD 3.43Å; N333-K337 WeakPolarHBondContact OD1-CE 3.5Å; Y334-K337 PolarHBondContact O-N 2.97Å; L335-K337 PolarHBondContact O-N 3.43Å; K337-L341 VanDerWaalsContact O-CA 3.23Å; K337-L341 WeakPolarHBondContact O-CA 3.45Å; K337-L341 PolarHBondContact O-N 3.46Å; K337-V345 HydrophobicContact CG-CG2 4.19Å |
| 338 | Q | 87.4 | Confident | 91.4 | Very high | 89 Ų | 89 | 58.4 Ų | 58.4 | 42% | 0.416 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -86.6 | -42.4 | -172.3 | -61.5 | -61.6 | -25 | 0 | 0 | 112.2 | E51 Y334 | E51-Q338 PolarHBondContact OE2-NE2 3.46Å; Y334-Q338 HydrophobicContact CD1-CG 4.41Å; Y334-Q338 HydrophobicContact CD2-CG 3.74Å; Y334-Q338 HydrophobicContact CE1-CB 4.33Å; Y334-Q338 HydrophobicContact CE1-CG 4.23Å; Y334-Q338 HydrophobicContact CE2-CB 4.47Å; Y334-Q338 HydrophobicContact CE2-CG 3.55Å; Y334-Q338 HydrophobicContact CG-CG 4.17Å; Y334-Q338 VanDerWaalsContact O-CB 3.29Å; Y334-Q338 WeakPolarHBondContact O-CB 3.49Å; Y334-Q338 WeakPolarHBondContact O-CG 3.42Å; Y334-Q338 PolarHBondContact O-N 3.24Å |
| 339 | R | 89 | Confident | 91.5 | Very high | 139 Ų | 139 | 60.5 Ų | 60.5 | 53% | 0.525 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -84 | -42.1 | -178.2 | -174 | 175.3 | 173.9 | 176.9 | -8.8 | 112.3 | E284 S288 L335 | E284-R339 IonicContact OE1-CZ 3.9Å; E284-R339 IonicContact OE1-NE 3.77Å; E284-R339 IonicContact OE1-NH2 3.85Å; E284-R339 PolarHBondContact OE1-NH2 3.19Å; S288-R339 PolarHBondContact OG-NH1 3.05Å; L335-R339 HydrophobicContact CD1-CB 4.19Å; L335-R339 VanDerWaalsContact O-CB 3.24Å; L335-R339 WeakPolarHBondContact O-CB 3.48Å; L335-R339 PolarHBondContact O-N 3.42Å |
| 340 | Y | 89 | Confident | 91.4 | Very high | 26 Ų | 26 | 60.5 Ų | 60.5 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -104.7 | 1.7 | -174.4 | -62.1 | -67.7 | 0 | 0 | 0 | 114.2 | E284 V285 S288 L335 L336 A342 | E284-Y340 PolarHBondContact O-OH 3.17Å; E284-Y340 PolarHBondContact OE1-OH 3.41Å; V285-Y340 HydrophobicContact CB-CE2 4.44Å; V285-Y340 HydrophobicContact CG2-CD1 3.68Å; V285-Y340 HydrophobicContact CG2-CD2 4.01Å; V285-Y340 HydrophobicContact CG2-CE1 3.64Å; V285-Y340 HydrophobicContact CG2-CE2 3.95Å; V285-Y340 HydrophobicContact CG2-CG 3.87Å; S288-Y340 WeakPolarHBondContact CB-OH 3.37Å; S288-Y340 PolarHBondContact OG-OH 3.32Å; L335-Y340 HydrophobicContact CD1-CE2 4.49Å; L335-Y340 HydrophobicContact CG-CE2 4.29Å; L336-Y340 HydrophobicContact CD2-CD2 4.21Å; L336-Y340 CarbonylContact O-C 3.58Å; L336-Y340 WeakPolarHBondContact O-CB 3.43Å; L336-Y340 PolarHBondContact O-N 3.28Å; Y340-A342 PolarHBondContact O-N 2.96Å; Y340-A342 VanDerWaalsContact O-N 3.12Å |
| 341 | L | 87.2 | Confident | 91.5 | Very high | 134 Ų | 134 | 60.1 Ų | 60.1 | 70% | 0.702 | 29% | 0.288 | S | S | * | . | trans | 53.1 | 32.5 | 177 | -56.9 | 176.2 | 0 | 0 | 0 | 113.5 | L336 K337 H343 | L336-L341 PolarHBondContact O-N 3.37Å; K337-L341 VanDerWaalsContact O-CA 3.23Å; K337-L341 WeakPolarHBondContact O-CA 3.45Å; K337-L341 PolarHBondContact O-N 3.46Å; L341-H343 PolarHBondContact O-N 3.35Å | ||
| 342 | A | 88.3 | Confident | 91.5 | Very high | 6 Ų | 6 | 58.8 Ų | 58.8 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 124.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V313 L336 Y340 V345 | V313-A342 HydrophobicContact CG2-CB 3.83Å; L336-A342 HydrophobicContact CB-CB 4.35Å; L336-A342 WeakPolarHBondContact O-CB 3.33Å; L336-A342 PolarHBondContact O-N 3.09Å; Y340-A342 PolarHBondContact O-N 2.96Å; Y340-A342 VanDerWaalsContact O-N 3.12Å; A342-V345 HydrophobicContact CB-CG2 3.51Å |
| 343 | H | 86.1 | Confident | 91.2 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -49.9 | -179.6 | 178.3 | -82.4 | 0 | 0 | 0 | 110.8 | K310 T311 L341 | K310-H343 HydrophobicContact CB-CB 4.22Å; K310-H343 HydrophobicContact CG-CB 4.47Å; K310-H343 PolarHBondContact NZ-NE2 2.66Å; T311-H343 WeakPolarHBondContact O-CB 3.01Å; T311-H343 PolarHBondContact O-N 3.47Å; L341-H343 PolarHBondContact O-N 3.35Å |
| 344 | D | 89.5 | Confident | 90.9 | Very high | 48 Ų | 48 | 68.1 Ų | 68.1 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 126.9 | 178.2 | -65.7 | -56.5 | 0 | 0 | 0 | 109.7 | L306 T311 A312 V313 | L306-D344 VanDerWaalsContact CD1-OD2 3.29Å; L306-D344 WeakPolarHBondContact CD1-OD2 3.49Å; T311-D344 PolarHBondContact O-N 2.97Å; A312-D344 CarbonylContact C-O 3.42Å; A312-D344 VanDerWaalsContact CA-O 3.27Å; A312-D344 WeakPolarHBondContact CA-O 3.42Å; A312-D344 HydrophobicContact CB-CB 4.12Å; V313-D344 PolarHBondContact N-O 3.48Å |
| 345 | V | 93 | Very high | 90.6 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.3 | -177 | 176.8 | 0 | 0 | 0 | 0 | 109.1 | V313 L336 K337 A342 I347 | V313-V345 WeakPolarHBondContact O-CA 3.36Å; L336-V345 HydrophobicContact CB-CG1 4.3Å; L336-V345 HydrophobicContact CB-CG2 3.93Å; L336-V345 HydrophobicContact CD1-CG1 3.55Å; L336-V345 HydrophobicContact CD1-CG2 4.44Å; K337-V345 HydrophobicContact CG-CG2 4.19Å; A342-V345 HydrophobicContact CB-CG2 3.51Å; V345-I347 HydrophobicContact CG1-CD1 3.68Å; V345-I347 HydrophobicContact CG1-CG1 3.75Å |
| 346 | T | 94.7 | Very high | 90.2 | Very high | 80 Ų | 80 | 68.5 Ų | 68.5 | 49% | 0.491 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 120.6 | 170.6 | 52.2 | 0 | 0 | 0 | 0 | 109.4 | V313 S314 V315 | V313-T346 PolarHBondContact O-N 3.22Å; S314-T346 VanDerWaalsContact CA-O 3.29Å; S314-T346 WeakPolarHBondContact CA-O 3.41Å; S314-T346 WeakPolarHBondContact CA-OG1 3.41Å; S314-T346 VanDerWaalsContact CB-OG1 3.25Å; S314-T346 WeakPolarHBondContact CB-OG1 3.31Å; S314-T346 PolarHBondContact OG-OG1 2.9Å; S314-T346 VanDerWaalsContact OG-OG1 3.1Å; V315-T346 PolarHBondContact N-O 3.05Å |
| 347 | I | 95.9 | Very high | 89.6 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 15% | 0.154 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 120.2 | -179.4 | -62.2 | 156.4 | 0 | 0 | 0 | 107.4 | V315 L317 L329 A332 N333 L336 V345 L349 | V315-I347 HydrophobicContact CG1-CB 4.36Å; V315-I347 HydrophobicContact CG1-CG1 3.79Å; V315-I347 HydrophobicContact CG1-CG2 4.33Å; V315-I347 WeakPolarHBondContact O-CA 3.2Å; L317-I347 HydrophobicContact CD1-CG2 3.6Å; L317-I347 HydrophobicContact CG-CG2 3.92Å; L329-I347 HydrophobicContact CD1-CB 3.69Å; L329-I347 HydrophobicContact CD1-CD1 4.07Å; L329-I347 HydrophobicContact CD1-CG2 3.82Å; A332-I347 HydrophobicContact CB-CD1 3.75Å; N333-I347 HydrophobicContact CB-CD1 4.14Å; L336-I347 HydrophobicContact CD1-CD1 4.22Å; L336-I347 HydrophobicContact CD1-CG1 4.33Å; V345-I347 HydrophobicContact CG1-CD1 3.68Å; V345-I347 HydrophobicContact CG1-CG1 3.75Å; I347-L349 HydrophobicContact CG2-CG 4.5Å |
| 348 | Q | 95.8 | Very high | 89.2 | Confident | 99 Ų | 99 | 76 Ų | 76 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.9 | 171.5 | -179.5 | 160.5 | -34.7 | 0 | 0 | 108.5 | V315 H316 L317 E350 | V315-Q348 PolarHBondContact O-N 3.36Å; H316-Q348 CarbonylContact C-O 3.55Å; H316-Q348 VanDerWaalsContact CA-O 3.31Å; H316-Q348 WeakPolarHBondContact CA-O 3.46Å; H316-Q348 VanDerWaalsContact CE1-CD 3.41Å; H316-Q348 PolarHBondContact CE1-NE2 3.41Å; H316-Q348 PolarHBondContact CE1-OE1 3.31Å; L317-Q348 PolarHBondContact N-O 3.35Å; Q348-E350 HydrophobicContact CG-CG 4.11Å; Q348-E350 PolarHBondContact NE2-OE1 3.02Å |
| 349 | L | 94.5 | Very high | 89 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.1 | 175.9 | -73.1 | 166.5 | 0 | 0 | 0 | 109.3 | L317 I319 T325 I328 L329 I347 | L317-L349 HydrophobicContact CB-CD2 3.92Å; L317-L349 HydrophobicContact CD1-CD2 4.31Å; I319-L349 HydrophobicContact CG2-CD2 3.71Å; T325-L349 VanDerWaalsContact O-CD1 3.28Å; T325-L349 WeakPolarHBondContact O-CD1 3.34Å; I328-L349 HydrophobicContact CG2-CD2 3.92Å; L329-L349 HydrophobicContact CB-CD1 3.88Å; L329-L349 HydrophobicContact CD1-CD1 4.32Å; I347-L349 HydrophobicContact CG2-CG 4.5Å |
| 350 | E | 93 | Very high | 88.6 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 152.4 | -180 | -64.4 | 177.2 | -157.9 | 0 | 0 | 109.7 | H299 H316 L317 A318 I319 Q348 M356 | H299-E350 IonicContact CE1-OE2 2.68Å; H299-E350 IonicContact NE2-OE2 3.08Å; H316-E350 IonicContact CE1-OE1 3.42Å; H316-E350 IonicContact CG-OE1 2.76Å; H316-E350 IonicContact ND1-OE1 3.11Å; H316-E350 PolarHBondContact ND1-OE1 3.42Å; L317-E350 PolarHBondContact O-N 3.47Å; A318-E350 CarbonylContact C-O 3.53Å; A318-E350 WeakPolarHBondContact CA-O 3.43Å; I319-E350 VanDerWaalsContact CG1-O 3.3Å; I319-E350 WeakPolarHBondContact CG1-O 3.18Å; I319-E350 PolarHBondContact N-O 3.45Å; Q348-E350 HydrophobicContact CG-CG 4.11Å; Q348-E350 PolarHBondContact NE2-OE1 3.02Å; E350-M356 HydrophobicContact CB-CE 4.27Å |
| 351 | L | 93.1 | Very high | 88.2 | Confident | 95 Ų | 95 | 82.9 Ų | 82.9 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 136.6 | 171.3 | -65.1 | 177.7 | 0 | 0 | 0 | 109.1 | I319 V353 M356 | I319-L351 HydrophobicContact CG1-CD2 4.27Å; L351-V353 PolarHBondContact O-N 3.47Å; L351-M356 WeakPolarHBondContact O-CE 3.36Å |
| 352 | Y | 91.5 | Very high | 87.7 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 18% | 0.176 | 40% | 0.395 | C | S | . | . | trans | -63.3 | 128 | 176.3 | -178.7 | -89.5 | 0 | 0 | 0 | 111.5 | R296 E297 A318 I319 E354 | R296-Y352 HydrophobicContact CB-CD2 4.04Å; R296-Y352 HydrophobicContact CB-CG 4.3Å; R296-Y352 VanDerWaalsContact CD-CG 3.46Å; R296-Y352 HydrophobicContact CG-CD2 3.71Å; R296-Y352 HydrophobicContact CG-CE2 3.93Å; R296-Y352 HydrophobicContact CG-CG 4.01Å; E297-Y352 HydrophobicContact CB-CD2 4.08Å; E297-Y352 HydrophobicContact CB-CE2 3.96Å; E297-Y352 VanDerWaalsContact OE2-CE2 3.28Å; E297-Y352 WeakPolarHBondContact OE2-CE2 3.41Å; A318-Y352 HydrophobicContact CB-CD2 4.02Å; I319-Y352 PolarHBondContact O-N 3.02Å; Y352-E354 HydrophobicContact CE1-CG 4.3Å | ||
| 353 | V | 89.5 | Confident | 87.3 | Confident | 72 Ų | 72 | 83.9 Ų | 83.9 | 44% | 0.436 | 42% | 0.421 | S | S | . | . | trans | -124.3 | 136.8 | 172 | -174.7 | 0 | 0 | 0 | 0 | 108.3 | L351 E355 M356 | L351-V353 PolarHBondContact O-N 3.47Å; V353-E355 HydrophobicContact CG1-CB 4.23Å; V353-E355 HydrophobicContact CG1-CG 4.23Å; V353-E355 PolarHBondContact O-N 3.34Å; V353-M356 HydrophobicContact CB-CE 4.49Å; V353-M356 HydrophobicContact CB-CG 4.46Å; V353-M356 HydrophobicContact CG2-CE 4.44Å; V353-M356 VanDerWaalsContact O-CB 3.26Å; V353-M356 WeakPolarHBondContact O-CB 3.45Å; V353-M356 VanDerWaalsContact O-CG 3.28Å; V353-M356 WeakPolarHBondContact O-CG 3.24Å; V353-M356 PolarHBondContact O-N 3.39Å | ||
| 354 | E | 85.6 | Confident | 86.9 | Confident | 151 Ų | 151 | 85.9 Ų | 85.9 | 71% | 0.706 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -57.8 | -26 | -176.6 | -64.5 | -174.7 | 169.2 | 0 | 0 | 113.6 | Y352 M356 A357 | Y352-E354 HydrophobicContact CE1-CG 4.3Å; E354-M356 PolarHBondContact O-N 3.47Å; E354-A357 WeakPolarHBondContact O-CB 3.45Å; E354-A357 PolarHBondContact O-N 2.84Å |
| 355 | E | 85.2 | Confident | 86.4 | Confident | 157 Ų | 157 | 87.7 Ų | 87.7 | 73% | 0.734 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -61.4 | -25.3 | 175.3 | -63.1 | -178 | 175.8 | 0 | 0 | 113.2 | V353 A357 N358 C359 | V353-E355 HydrophobicContact CG1-CB 4.23Å; V353-E355 HydrophobicContact CG1-CG 4.23Å; V353-E355 PolarHBondContact O-N 3.34Å; E355-A357 PolarHBondContact O-N 3.31Å; E355-N358 PolarHBondContact O-N 2.93Å; E355-N358 VanDerWaalsContact O-N 3.13Å; E355-C359 PolarHBondContact O-N 3.41Å |
| 356 | M | 84.3 | Confident | 85.6 | Confident | 26 Ų | 26 | 94.5 Ų | 94.5 | 13% | 0.128 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -59.9 | -35.5 | 178.7 | -65.7 | 176.2 | 171.1 | 0 | 0 | 111.8 | A318 E350 L351 V353 E354 N358 C359 | A318-M356 HydrophobicContact CB-SD 3.88Å; E350-M356 HydrophobicContact CB-CE 4.27Å; L351-M356 WeakPolarHBondContact O-CE 3.36Å; V353-M356 HydrophobicContact CB-CE 4.49Å; V353-M356 HydrophobicContact CB-CG 4.46Å; V353-M356 HydrophobicContact CG2-CE 4.44Å; V353-M356 VanDerWaalsContact O-CB 3.26Å; V353-M356 WeakPolarHBondContact O-CB 3.45Å; V353-M356 VanDerWaalsContact O-CG 3.28Å; V353-M356 WeakPolarHBondContact O-CG 3.24Å; V353-M356 PolarHBondContact O-N 3.39Å; E354-M356 PolarHBondContact O-N 3.47Å; M356-N358 PolarHBondContact O-N 3.3Å; M356-N358 VanDerWaalsContact O-N 3.13Å; M356-C359 WeakPolarHBondContact O-CB 3.16Å; M356-C359 PolarHBondContact O-N 3Å; M356-C359 VanDerWaalsContact O-N 3.07Å |
| 357 | A | 79 | Confident | 84.2 | Confident | 58 Ų | 58 | 103.8 Ų | 103.8 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | G | 310 helix | trans | -61 | -25.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E354 E355 | E354-A357 WeakPolarHBondContact O-CB 3.45Å; E354-A357 PolarHBondContact O-N 2.84Å; E355-A357 PolarHBondContact O-N 3.31Å |
| 358 | N | 80.9 | Confident | 83.6 | Confident | 144 Ų | 144 | 107.5 Ų | 107.5 | 77% | 0.77 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -103.3 | -1.3 | -179.8 | -69 | -40.3 | 0 | 0 | 0 | 113.3 | E355 M356 Y360 | E355-N358 PolarHBondContact O-N 2.93Å; E355-N358 VanDerWaalsContact O-N 3.13Å; M356-N358 PolarHBondContact O-N 3.3Å; M356-N358 VanDerWaalsContact O-N 3.13Å; N358-Y360 PolarHBondContact O-N 3.23Å |
| 359 | C | 83.7 | Confident | 82.9 | Confident | 42 Ų | 42 | 107.9 Ų | 107.9 | 28% | 0.284 | 54% | 0.535 | S | S | . | . | trans | -72.9 | 120.9 | -175.9 | 179.6 | 0 | 0 | 0 | 0 | 111.3 | E355 M356 Q361 C362 K363 | E355-C359 PolarHBondContact O-N 3.41Å; M356-C359 WeakPolarHBondContact O-CB 3.16Å; M356-C359 PolarHBondContact O-N 3Å; M356-C359 VanDerWaalsContact O-N 3.07Å; C359-Q361 VanDerWaalsContact C-N 3.26Å; C359-Q361 PolarHBondContact O-N 3Å; C359-C362 HydrophobicContact CB-CB 3.85Å; C359-C362 PolarHBondContact O-N 3.26Å; C359-C362 VanDerWaalsContact O-N 3.1Å; C359-K363 PolarHBondContact O-N 2.94Å | ||
| 360 | Y | 81.6 | Confident | 82.3 | Confident | 191 Ų | 191 | 111.2 Ų | 111.2 | 75% | 0.749 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -60.8 | -34.9 | 179.1 | 179.9 | -97.6 | 0 | 0 | 0 | 112.9 | N358 C362 K363 | N358-Y360 PolarHBondContact O-N 3.23Å; Y360-C362 VanDerWaalsContact C-N 3.31Å; Y360-K363 HydrophobicContact CD2-CD 4.33Å; Y360-K363 WeakPolarHBondContact O-CB 3.38Å; Y360-K363 PolarHBondContact O-N 3.11Å |
| 361 | Q | 79.9 | Confident | 81.7 | Confident | 166 Ų | 166 | 114.8 Ų | 114.8 | 78% | 0.776 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -75.7 | -20.1 | 178.3 | -64.2 | -178.4 | -55.3 | 0 | 0 | 113.1 | C359 K363 | C359-Q361 VanDerWaalsContact C-N 3.26Å; C359-Q361 PolarHBondContact O-N 3Å; Q361-K363 VanDerWaalsContact C-N 3.35Å |
| 362 | C | 77 | Confident | 80.9 | Confident | 24 Ų | 24 | 116 Ų | 116 | 16% | 0.162 | 57% | 0.573 | C | S | . | * | G | 310 helix | trans | -86.2 | -10.2 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | H299 C359 Y360 | H299-C362 HydrophobicContact CB-CB 3.69Å; C359-C362 HydrophobicContact CB-CB 3.85Å; C359-C362 PolarHBondContact O-N 3.26Å; C359-C362 VanDerWaalsContact O-N 3.1Å; Y360-C362 VanDerWaalsContact C-N 3.31Å |
| 363 | K | 79.2 | Confident | 80.2 | Confident | 136 Ų | 136 | 120.7 Ų | 120.7 | 59% | 0.591 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -63.6 | 143.9 | 178.1 | -68.5 | -173.7 | 178.6 | -174.5 | 0 | 111 | C359 Y360 Q361 | C359-K363 PolarHBondContact O-N 2.94Å; Y360-K363 HydrophobicContact CD2-CD 4.33Å; Y360-K363 WeakPolarHBondContact O-CB 3.38Å; Y360-K363 PolarHBondContact O-N 3.11Å; Q361-K363 VanDerWaalsContact C-N 3.35Å |
| 364 | E | 78.7 | Confident | 79.6 | Confident | 108 Ų | 108 | 124.2 Ų | 124.2 | 51% | 0.505 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 147.3 | 174.6 | -69.9 | 174.3 | -156.4 | 0 | 0 | 111.8 | K286 | K286-E364 WeakPolarHBondContact CE-OE1 3.24Å; K286-E364 IonicContact NZ-OE1 2.93Å; K286-E364 PolarHBondContact NZ-OE1 3.02Å |
| 365 | P | 78.8 | Confident | 79.1 | Confident | 87 Ų | 87 | 122.2 Ų | 122.2 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -59 | 142.4 | 169.5 | 26 | -32.8 | 0 | 0 | 0 | 110.4 | F282 | F282-P365 HydrophobicContact CE1-CG 4.2Å; F282-P365 HydrophobicContact CE2-CG 4.19Å; F282-P365 HydrophobicContact CZ-CG 3.84Å |
| 366 | L | 75.4 | Confident | 78.6 | Confident | 173 Ų | 173 | 119.3 Ų | 119.3 | 91% | 0.906 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145 | 173 | -64.4 | 172.3 | 0 | 0 | 0 | 109.8 | ||
| 367 | K | 65.1 | Low | 78.1 | Confident | 276 Ų | 276 | 127.7 Ų | 127.7 | 100% | 1.2 | 64% | 0.635 | S | S | * | * | trans | -57.1 | 0 | -176.1 | -75.3 | -173.4 | 179.5 | -179.6 | 0 | 114.5 |
Retrieved 367 of 367 residues in 359.1 ms
(Link to these results)