| 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 | 32.1 | Very low | 30.3 | Very low | 221 Ų | 221 | 137.1 Ų | 137.1 | 100% | 1.089 | 69% | 0.691 | S | S | * | * | 0 | -37.6 | 0 | -84.6 | -164.8 | -81.3 | 0 | 0 | 114.2 | |||||
| 2 | L | 29.7 | Very low | 30.4 | Very low | 168 Ų | 168 | 133 Ų | 133 | 88% | 0.88 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -15.2 | 174.9 | -91.4 | 152.5 | 0 | 0 | 0 | 115.2 | ||
| 3 | Q | 30.8 | Very low | 30.3 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -29 | 178.8 | -81.3 | 174 | -26.3 | 0 | 0 | 114.2 | ||
| 4 | D | 31.1 | Very low | 30.5 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 69% | 0.69 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -85.5 | -27.9 | -174.4 | -92.6 | -28.3 | 0 | 0 | 0 | 114.4 | ||
| 5 | A | 30.4 | Very low | 30.3 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 56% | 0.562 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -76.5 | -26.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 6 | F | 30 | Very low | 30.6 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 50% | 0.496 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -74.9 | -34.6 | -176.5 | -154.8 | -99.1 | 0 | 0 | 0 | 112.2 | ||
| 7 | F | 27.6 | Very low | 30.3 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -82.5 | -21.5 | -178 | -85.8 | -79.9 | 0 | 0 | 0 | 114.8 | N9 | F7-N9 VanDerWaalsContact C-N 3.34Å; F7-N9 PolarHBondContact O-N 3Å |
| 8 | K | 28.9 | Very low | 30.7 | Very low | 175 Ų | 175 | 131.2 Ų | 131.2 | 76% | 0.761 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.2 | -25.8 | 178 | -81.5 | -175.8 | 176.7 | 178.2 | 0 | 114 | ||
| 9 | N | 30.9 | Very low | 30.7 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -99.7 | -16.8 | -179.6 | -71.9 | -40.8 | 0 | 0 | 0 | 113.8 | F7 I11 | F7-N9 VanDerWaalsContact C-N 3.34Å; F7-N9 PolarHBondContact O-N 3Å; N9-I11 VanDerWaalsContact C-N 3.33Å; N9-I11 PolarHBondContact O-N 3.08Å |
| 10 | V | 30.1 | Very low | 31.2 | Very low | 40 Ų | 40 | 133.4 Ų | 133.4 | 24% | 0.242 | 66% | 0.657 | C | S | . | * | trans | -91 | 78.2 | 168.5 | -175 | 0 | 0 | 0 | 0 | 107.3 | L12 | V10-L12 HydrophobicContact CG1-CB 4.25Å; V10-L12 HydrophobicContact CG1-CD1 3.79Å; V10-L12 HydrophobicContact CG1-CG 3.62Å; V10-L12 PolarHBondContact O-N 2.94Å | ||
| 11 | I | 31.4 | Very low | 31.7 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 71% | 0.713 | 67% | 0.667 | S | S | * | * | trans | -66.6 | 81.6 | 154.9 | -60.4 | 177.7 | 0 | 0 | 0 | 105.6 | N9 R13 | N9-I11 VanDerWaalsContact C-N 3.33Å; N9-I11 PolarHBondContact O-N 3.08Å; I11-R13 HydrophobicContact CG2-CB 3.79Å; I11-R13 HydrophobicContact CG2-CG 3.67Å; I11-R13 PolarHBondContact O-N 2.6Å | ||
| 12 | L | 31.5 | Very low | 32.4 | Very low | 88 Ų | 88 | 133.1 Ų | 133.1 | 46% | 0.461 | 66% | 0.656 | S | S | . | * | trans | -65 | 75.7 | 150.2 | -89.4 | 159.1 | 0 | 0 | 0 | 105.4 | V10 I14 | V10-L12 HydrophobicContact CG1-CB 4.25Å; V10-L12 HydrophobicContact CG1-CD1 3.79Å; V10-L12 HydrophobicContact CG1-CG 3.62Å; V10-L12 PolarHBondContact O-N 2.94Å; L12-I14 HydrophobicContact CB-CG1 4.44Å; L12-I14 HydrophobicContact CD2-CD1 4.12Å; L12-I14 HydrophobicContact CD2-CG1 4.02Å; L12-I14 PolarHBondContact O-N 2.8Å | ||
| 13 | R | 28.9 | Very low | 33.4 | Very low | 207 Ų | 207 | 129.6 Ų | 129.6 | 78% | 0.781 | 64% | 0.637 | S | S | * | * | trans | -69.5 | 76.8 | 157.6 | -109.8 | -170.2 | 173.3 | 178.1 | -1 | 105.9 | I11 T15 | I11-R13 HydrophobicContact CG2-CB 3.79Å; I11-R13 HydrophobicContact CG2-CG 3.67Å; I11-R13 PolarHBondContact O-N 2.6Å; R13-T15 PolarHBondContact O-N 3.24Å | ||
| 14 | I | 33.9 | Very low | 35.4 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | trans | -78 | 73.7 | 153.4 | -53.3 | 177.8 | 0 | 0 | 0 | 104.6 | L12 F16 | L12-I14 HydrophobicContact CB-CG1 4.44Å; L12-I14 HydrophobicContact CD2-CD1 4.12Å; L12-I14 HydrophobicContact CD2-CG1 4.02Å; L12-I14 PolarHBondContact O-N 2.8Å; I14-F16 HydrophobicContact CG2-CD2 4.28Å; I14-F16 HydrophobicContact CG2-CE2 4.47Å | ||
| 15 | T | 26.7 | Very low | 37.6 | Very low | 84 Ų | 84 | 132.8 Ų | 132.8 | 52% | 0.515 | 64% | 0.639 | S | S | . | * | trans | -114.9 | 87.9 | 171.3 | -45.8 | 0 | 0 | 0 | 0 | 106.5 | R13 T17 | R13-T15 PolarHBondContact O-N 3.24Å; T15-T17 VanDerWaalsContact C-N 3.31Å; T15-T17 WeakPolarHBondContact CG2-OG1 3.13Å; T15-T17 PolarHBondContact O-N 2.99Å | ||
| 16 | F | 35.6 | Very low | 40 | Very low | 120 Ų | 120 | 137 Ų | 137 | 53% | 0.526 | 65% | 0.647 | S | S | . | * | trans | -88.5 | 78.1 | 158.2 | -68.3 | -74.4 | 0 | 0 | 0 | 107.4 | I14 F18 L32 | I14-F16 HydrophobicContact CG2-CD2 4.28Å; I14-F16 HydrophobicContact CG2-CE2 4.47Å; F16-F18 HydrophobicContact CB-CD2 4.23Å; F16-F18 HydrophobicContact CD1-CD2 4.06Å; F16-F18 AromaticContact CD1-CE2 3.54Å; F16-F18 HydrophobicContact CD1-CE2 3.54Å; F16-F18 HydrophobicContact CD1-CZ 4.47Å; F16-F18 HydrophobicContact CE1-CE2 4.18Å; F16-F18 HydrophobicContact CG-CE2 4.44Å; F16-F18 PolarHBondContact O-N 2.82Å; F16-L32 HydrophobicContact CE1-CD1 4.2Å; F16-L32 HydrophobicContact CE1-CD2 3.82Å; F16-L32 HydrophobicContact CZ-CD1 4.07Å; F16-L32 HydrophobicContact CZ-CD2 4.02Å | ||
| 17 | T | 25.5 | Very low | 42.4 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 74% | 0.742 | 64% | 0.639 | S | S | * | * | trans | -83.3 | 83 | 154.4 | 21.2 | 0 | 0 | 0 | 0 | 106.7 | T15 E19 | T15-T17 VanDerWaalsContact C-N 3.31Å; T15-T17 WeakPolarHBondContact CG2-OG1 3.13Å; T15-T17 PolarHBondContact O-N 2.99Å; T17-E19 PolarHBondContact O-N 2.86Å | ||
| 18 | F | 37 | Very low | 44.8 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 49% | 0.487 | 62% | 0.617 | S | S | . | * | trans | -80.8 | 104.4 | 156.2 | -79.6 | -71.6 | 0 | 0 | 0 | 106.4 | F16 F20 I28 | F16-F18 HydrophobicContact CB-CD2 4.23Å; F16-F18 HydrophobicContact CD1-CD2 4.06Å; F16-F18 AromaticContact CD1-CE2 3.54Å; F16-F18 HydrophobicContact CD1-CE2 3.54Å; F16-F18 HydrophobicContact CD1-CZ 4.47Å; F16-F18 HydrophobicContact CE1-CE2 4.18Å; F16-F18 HydrophobicContact CG-CE2 4.44Å; F16-F18 PolarHBondContact O-N 2.82Å; F18-F20 HydrophobicContact CB-CD2 4.22Å; F18-F20 AromaticContact CD1-CD2 3.78Å; F18-F20 HydrophobicContact CD1-CD2 3.78Å; F18-F20 HydrophobicContact CD1-CE2 4.04Å; F18-F20 HydrophobicContact CG-CD2 4.4Å; F18-F20 PolarHBondContact O-N 3.48Å; F18-I28 HydrophobicContact CE2-CG2 4.5Å | ||
| 19 | E | 31.5 | Very low | 47.4 | Very low | 176 Ų | 176 | 122.4 Ų | 122.4 | 82% | 0.822 | 59% | 0.594 | S | S | * | * | trans | -68.5 | 74.3 | 154.5 | -78.8 | -173.6 | 159.8 | 0 | 0 | 108 | T17 | T17-E19 PolarHBondContact O-N 2.86Š| ||
| 20 | F | 40.1 | Very low | 49.9 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 58% | 0.575 | 59% | 0.594 | S | S | * | * | trans | -127 | 92.8 | 160.9 | -80.3 | -73.7 | 0 | 0 | 0 | 106.8 | F18 C22 L23 | F18-F20 HydrophobicContact CB-CD2 4.22Å; F18-F20 AromaticContact CD1-CD2 3.78Å; F18-F20 HydrophobicContact CD1-CD2 3.78Å; F18-F20 HydrophobicContact CD1-CE2 4.04Å; F18-F20 HydrophobicContact CG-CD2 4.4Å; F18-F20 PolarHBondContact O-N 3.48Å; F20-C22 PolarHBondContact O-N 3.29Å; F20-L23 HydrophobicContact CB-CD1 4.03Å; F20-L23 HydrophobicContact CB-CG 4.27Å; F20-L23 HydrophobicContact CD1-CD1 4.35Å; F20-L23 HydrophobicContact CD2-CD1 4.26Å; F20-L23 HydrophobicContact CG-CD1 3.97Å | ||
| 21 | Y | 42.3 | Very low | 52.4 | Low | 223 Ų | 223 | 125.2 Ų | 125.2 | 88% | 0.875 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 6.5 | 177.1 | -97.6 | -84.7 | 0 | 0 | 0 | 114.5 | ||
| 22 | C | 46.7 | Very low | 54.9 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 85% | 0.845 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.2 | 29.8 | -175.1 | -65.7 | 0 | 0 | 0 | 0 | 115.9 | F20 | F20-C22 PolarHBondContact O-N 3.29Š|
| 23 | L | 50 | Low | 57.6 | Low | 94 Ų | 94 | 117.9 Ų | 117.9 | 49% | 0.492 | 57% | 0.568 | S | S | . | * | trans | -107.6 | 128.2 | 170.5 | -73.8 | 174.1 | 0 | 0 | 0 | 111.3 | F20 R25 I28 | F20-L23 HydrophobicContact CB-CD1 4.03Å; F20-L23 HydrophobicContact CB-CG 4.27Å; F20-L23 HydrophobicContact CD1-CD1 4.35Å; F20-L23 HydrophobicContact CD2-CD1 4.26Å; F20-L23 HydrophobicContact CG-CD1 3.97Å; L23-R25 PolarHBondContact O-N 2.76Å; L23-I28 HydrophobicContact CB-CD1 3.96Å; L23-I28 HydrophobicContact CB-CG1 4.07Å; L23-I28 HydrophobicContact CD1-CG1 4.48Å | ||
| 24 | E | 73.5 | Confident | 60.3 | Low | 151 Ų | 151 | 110.9 Ų | 110.9 | 71% | 0.706 | 55% | 0.55 | S | S | * | * | trans | -58.2 | 127.3 | 173.5 | -69.2 | -179.9 | 169.5 | 0 | 0 | 109.7 | E26 S27 I28 | E24-E26 PolarHBondContact O-N 2.83Å; E24-S27 WeakPolarHBondContact O-CB 3.36Å; E24-S27 PolarHBondContact O-N 2.83Å; E24-S27 PolarHBondContact O-OG 3.3Å; E24-I28 PolarHBondContact O-N 2.94Å | ||
| 25 | R | 76.9 | Confident | 62.7 | Low | 214 Ų | 214 | 107.5 Ų | 107.5 | 81% | 0.808 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -47.3 | -37.3 | -178.8 | -177 | 179.8 | 178 | -176.3 | -0.4 | 113 | L23 I28 V29 | L23-R25 PolarHBondContact O-N 2.76Å; R25-I28 PolarHBondContact O-N 2.73Å; R25-V29 WeakPolarHBondContact O-CG2 3.18Å; R25-V29 PolarHBondContact O-N 3.4Å; R25-V29 VanDerWaalsContact O-N 3.08Å |
| 26 | E | 80.8 | Confident | 65.6 | Low | 158 Ų | 158 | 103.6 Ų | 103.6 | 74% | 0.738 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -40.3 | 178.9 | -63.8 | -171.6 | 174.4 | 0 | 0 | 113 | E24 I28 V29 K30 | E24-E26 PolarHBondContact O-N 2.83Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 2.71Å; E26-V29 PolarHBondContact O-N 3.35Å; E26-K30 WeakPolarHBondContact O-CB 3.43Å; E26-K30 PolarHBondContact O-N 3.4Å |
| 27 | S | 79.8 | Confident | 68.1 | Low | 45 Ų | 45 | 98.7 Ų | 98.7 | 32% | 0.315 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 178.7 | 73 | 0 | 0 | 0 | 0 | 112.1 | E24 S31 | E24-S27 WeakPolarHBondContact O-CB 3.36Å; E24-S27 PolarHBondContact O-N 2.83Å; E24-S27 PolarHBondContact O-OG 3.3Å; S27-S31 WeakPolarHBondContact O-CB 3.5Å; S27-S31 PolarHBondContact O-N 3.05Å; S27-S31 PolarHBondContact O-OG 3.12Å |
| 28 | I | 79.9 | Confident | 71 | Confident | 46 Ų | 46 | 95 Ų | 95 | 24% | 0.236 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.6 | -48.3 | 177.1 | -60.7 | 175.6 | 0 | 0 | 0 | 109.7 | F18 L23 E24 R25 E26 K30 S31 L32 | F18-I28 HydrophobicContact CE2-CG2 4.5Å; L23-I28 HydrophobicContact CB-CD1 3.96Å; L23-I28 HydrophobicContact CB-CG1 4.07Å; L23-I28 HydrophobicContact CD1-CG1 4.48Å; E24-I28 PolarHBondContact O-N 2.94Å; R25-I28 PolarHBondContact O-N 2.73Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 2.71Å; I28-K30 VanDerWaalsContact C-N 3.35Å; I28-K30 PolarHBondContact O-N 3.38Å; I28-S31 PolarHBondContact O-N 2.85Å; I28-L32 HydrophobicContact CG2-CD1 4.06Å; I28-L32 HydrophobicContact CG2-CG 4.43Å; I28-L32 WeakPolarHBondContact O-CG 3.06Å; I28-L32 PolarHBondContact O-N 2.99Å |
| 29 | V | 82.8 | Confident | 73.3 | Confident | 45 Ų | 45 | 98.4 Ų | 98.4 | 27% | 0.273 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 178.2 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | R25 E26 S31 L32 L33 L41 | R25-V29 WeakPolarHBondContact O-CG2 3.18Å; R25-V29 PolarHBondContact O-N 3.4Å; R25-V29 VanDerWaalsContact O-N 3.08Å; E26-V29 PolarHBondContact O-N 3.35Å; V29-S31 VanDerWaalsContact C-N 3.3Å; V29-S31 PolarHBondContact O-N 2.86Å; V29-L32 PolarHBondContact O-N 3.34Å; V29-L33 HydrophobicContact CG1-CD1 3.84Å; V29-L33 HydrophobicContact CG1-CG 4.29Å; V29-L33 WeakPolarHBondContact O-CB 3.43Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.47Å; V29-L33 PolarHBondContact O-N 3.19Å; V29-L41 HydrophobicContact CG1-CD1 3.92Å; V29-L41 HydrophobicContact CG2-CD1 4.48Å |
| 30 | K | 84 | Confident | 75.8 | Confident | 160 Ų | 160 | 97.1 Ų | 97.1 | 70% | 0.696 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.7 | -41 | 177.1 | -171.8 | 176.3 | -178.1 | 177.2 | 0 | 112.2 | E26 I28 S34 | E26-K30 WeakPolarHBondContact O-CB 3.43Å; E26-K30 PolarHBondContact O-N 3.4Å; I28-K30 VanDerWaalsContact C-N 3.35Å; I28-K30 PolarHBondContact O-N 3.38Å; K30-S34 WeakPolarHBondContact O-CB 3.38Å; K30-S34 PolarHBondContact O-N 2.71Å |
| 31 | S | 82 | Confident | 77.8 | Confident | 70 Ų | 70 | 95.9 Ų | 95.9 | 49% | 0.49 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66 | -41.6 | 177.2 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | S27 I28 V29 S34 Y35 | S27-S31 WeakPolarHBondContact O-CB 3.5Å; S27-S31 PolarHBondContact O-N 3.05Å; S27-S31 PolarHBondContact O-OG 3.12Å; I28-S31 PolarHBondContact O-N 2.85Å; V29-S31 VanDerWaalsContact C-N 3.3Å; V29-S31 PolarHBondContact O-N 2.86Å; S31-S34 PolarHBondContact O-N 2.92Å; S31-Y35 VanDerWaalsContact O-CB 3.3Å; S31-Y35 WeakPolarHBondContact O-CB 3.38Å; S31-Y35 PolarHBondContact O-N 2.82Å |
| 32 | L | 83.3 | Confident | 80 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 20% | 0.199 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.6 | -43.8 | 176.6 | -74 | 172.9 | 0 | 0 | 0 | 112.2 | F16 I28 V29 Y35 A36 L43 | F16-L32 HydrophobicContact CE1-CD1 4.2Å; F16-L32 HydrophobicContact CE1-CD2 3.82Å; F16-L32 HydrophobicContact CZ-CD1 4.07Å; F16-L32 HydrophobicContact CZ-CD2 4.02Å; I28-L32 HydrophobicContact CG2-CD1 4.06Å; I28-L32 HydrophobicContact CG2-CG 4.43Å; I28-L32 WeakPolarHBondContact O-CG 3.06Å; I28-L32 PolarHBondContact O-N 2.99Å; V29-L32 PolarHBondContact O-N 3.34Å; L32-Y35 PolarHBondContact O-N 3.12Å; L32-A36 VanDerWaalsContact O-CB 3.3Å; L32-A36 WeakPolarHBondContact O-CB 3.12Å; L32-A36 PolarHBondContact O-N 3.14Å; L32-L43 HydrophobicContact CB-CD1 4.49Å |
| 33 | L | 87.8 | Confident | 82 | Confident | 35 Ų | 35 | 84.7 Ų | 84.7 | 18% | 0.183 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 175.6 | -72.6 | 175.6 | 0 | 0 | 0 | 111.1 | V29 A36 G37 R38 L41 L43 | V29-L33 HydrophobicContact CG1-CD1 3.84Å; V29-L33 HydrophobicContact CG1-CG 4.29Å; V29-L33 WeakPolarHBondContact O-CB 3.43Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.47Å; V29-L33 PolarHBondContact O-N 3.19Å; L33-A36 PolarHBondContact O-N 2.85Å; L33-G37 PolarHBondContact O-N 3.02Å; L33-R38 CarbonylContact C-O 3.57Å; L33-R38 WeakPolarHBondContact CA-O 3.46Å; L33-R38 WeakPolarHBondContact CB-O 3.36Å; L33-R38 VanDerWaalsContact CD2-O 3.3Å; L33-R38 WeakPolarHBondContact CD2-O 3.41Å; L33-R38 PolarHBondContact O-N 3.39Å; L33-R38 VanDerWaalsContact O-O 3.08Å; L33-L41 HydrophobicContact CD2-CD2 4.17Å; L33-L41 HydrophobicContact CD2-CG 4.41Å; L33-L43 HydrophobicContact CD2-CD1 4.24Å |
| 34 | S | 85.7 | Confident | 83.9 | Confident | 59 Ų | 59 | 81 Ų | 81 | 41% | 0.413 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 174.6 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | K30 S31 A36 G37 | K30-S34 WeakPolarHBondContact O-CB 3.38Å; K30-S34 PolarHBondContact O-N 2.71Å; S31-S34 PolarHBondContact O-N 2.92Å; S34-A36 VanDerWaalsContact C-N 3.34Å; S34-A36 PolarHBondContact O-N 3.27Å; S34-G37 PolarHBondContact O-N 3.33Å |
| 35 | Y | 85.1 | Confident | 84.7 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 177.2 | 175.5 | -87.9 | 0 | 0 | 0 | 111.7 | S31 L32 G37 F45 N436 R472 | S31-Y35 VanDerWaalsContact O-CB 3.3Å; S31-Y35 WeakPolarHBondContact O-CB 3.38Å; S31-Y35 PolarHBondContact O-N 2.82Å; L32-Y35 PolarHBondContact O-N 3.12Å; Y35-G37 VanDerWaalsContact C-N 3.28Å; Y35-G37 PolarHBondContact O-N 3.11Å; Y35-F45 HydrophobicContact CD1-CE1 4.32Å; Y35-F45 HydrophobicContact CE1-CE1 4.05Å; Y35-N436 PolarHBondContact O-ND2 2.87Å; Y35-R472 HydrophobicContact CD2-CG 3.75Å; Y35-R472 HydrophobicContact CE2-CB 4.45Å; Y35-R472 HydrophobicContact CE2-CG 3.23Å; Y35-R472 PolarHBondContact OH-O 3Å |
| 36 | A | 87.9 | Confident | 85.4 | Confident | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.008 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -75.1 | -15.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L32 L33 S34 R38 L43 F45 C50 N436 | L32-A36 VanDerWaalsContact O-CB 3.3Å; L32-A36 WeakPolarHBondContact O-CB 3.12Å; L32-A36 PolarHBondContact O-N 3.14Å; L33-A36 PolarHBondContact O-N 2.85Å; S34-A36 VanDerWaalsContact C-N 3.34Å; S34-A36 PolarHBondContact O-N 3.27Å; A36-R38 HydrophobicContact CB-CB 4.31Å; A36-R38 PolarHBondContact O-N 3.33Å; A36-L43 HydrophobicContact CB-CD1 3.74Å; A36-L43 HydrophobicContact CB-CD2 4.13Å; A36-F45 HydrophobicContact CB-CZ 4.31Å; A36-C50 HydrophobicContact CB-CB 4.15Å; A36-N436 PolarHBondContact O-ND2 3.16Å |
| 37 | G | 87.3 | Confident | 85.7 | Confident | 18 Ų | 18 | 63.5 Ų | 63.5 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 32 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L33 S34 Y35 R434 | L33-G37 PolarHBondContact O-N 3.02Å; S34-G37 PolarHBondContact O-N 3.33Å; Y35-G37 VanDerWaalsContact C-N 3.28Å; Y35-G37 PolarHBondContact O-N 3.11Å; G37-R434 WeakPolarHBondContact O-CD 3.47Å |
| 38 | R | 86.8 | Confident | 85.9 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | trans | -132 | 158.7 | -175.8 | -69.4 | -170.5 | -178.3 | -120.5 | 8.2 | 110.8 | L33 A36 L43 V51 D56 | L33-R38 CarbonylContact C-O 3.57Å; L33-R38 WeakPolarHBondContact CA-O 3.46Å; L33-R38 WeakPolarHBondContact CB-O 3.36Å; L33-R38 VanDerWaalsContact CD2-O 3.3Å; L33-R38 WeakPolarHBondContact CD2-O 3.41Å; L33-R38 PolarHBondContact O-N 3.39Å; L33-R38 VanDerWaalsContact O-O 3.08Å; A36-R38 HydrophobicContact CB-CB 4.31Å; A36-R38 PolarHBondContact O-N 3.33Å; R38-L43 HydrophobicContact CB-CD2 3.86Å; R38-L43 HydrophobicContact CG-CD2 4.4Å; R38-V51 VanDerWaalsContact NH2-C 3.26Å; R38-V51 PolarHBondContact NH2-O 2.66Å; R38-D56 IonicContact CZ-OD2 3.55Å; R38-D56 IonicContact NH1-OD2 2.79Å; R38-D56 PolarHBondContact NH1-OD2 3.27Å | ||
| 39 | E | 85.2 | Confident | 86.4 | Confident | 181 Ų | 181 | 61.4 Ų | 61.4 | 85% | 0.846 | 33% | 0.327 | S | S | * | . | trans | -112.3 | -3.9 | -174.8 | -62.4 | -179.8 | 174.2 | 0 | 0 | 113.5 | ||||
| 40 | Q | 83.8 | Confident | 86.8 | Confident | 150 Ų | 150 | 59.4 Ų | 59.4 | 70% | 0.701 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -124.3 | 143.8 | -171.5 | -63.2 | 178.8 | -0 | 0 | 0 | 112.1 | L43 | Q40-L43 WeakPolarHBondContact O-CD2 3.45Š|
| 41 | L | 83.2 | Confident | 87.1 | Confident | 104 Ų | 104 | 52.1 Ų | 52.1 | 55% | 0.545 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -105.7 | 155 | 171 | -66.8 | 178.6 | 0 | 0 | 0 | 110.1 | V29 L33 L43 | V29-L41 HydrophobicContact CG1-CD1 3.92Å; V29-L41 HydrophobicContact CG2-CD1 4.48Å; L33-L41 HydrophobicContact CD2-CD2 4.17Å; L33-L41 HydrophobicContact CD2-CG 4.41Å; L41-L43 HydrophobicContact CD2-CD1 4.2Å; L41-L43 HydrophobicContact CD2-CG 3.99Å |
| 42 | P | 86.8 | Confident | 87.4 | Confident | 87 Ų | 87 | 48.8 Ų | 48.8 | 57% | 0.565 | 26% | 0.261 | S | S | * | . | cis | -74.7 | 152.6 | -3.4 | 31.8 | -35.4 | 0 | 0 | 0 | 112.4 | C53 | P42-C53 WeakPolarHBondContact O-CA 3.45Š| ||
| 43 | L | 88.7 | Confident | 87.7 | Confident | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | trans | -99.2 | 127.2 | 171.1 | -64.8 | 170.5 | 0 | 0 | 0 | 109.9 | L32 L33 A36 R38 Q40 L41 F45 G52 | L32-L43 HydrophobicContact CB-CD1 4.49Å; L33-L43 HydrophobicContact CD2-CD1 4.24Å; A36-L43 HydrophobicContact CB-CD1 3.74Å; A36-L43 HydrophobicContact CB-CD2 4.13Å; R38-L43 HydrophobicContact CB-CD2 3.86Å; R38-L43 HydrophobicContact CG-CD2 4.4Å; Q40-L43 WeakPolarHBondContact O-CD2 3.45Å; L41-L43 HydrophobicContact CD2-CD1 4.2Å; L41-L43 HydrophobicContact CD2-CG 3.99Å; L43-F45 HydrophobicContact CB-CD2 4.38Å; L43-F45 HydrophobicContact CB-CE2 3.65Å; L43-F45 HydrophobicContact CB-CZ 4.34Å; L43-F45 HydrophobicContact CD1-CE2 4.4Å; L43-F45 HydrophobicContact CD1-CZ 4.43Å; L43-G52 CarbonylContact C-O 3.6Å; L43-G52 WeakPolarHBondContact CA-O 3.39Å | ||
| 44 | V | 91 | Very high | 87.7 | Confident | 16 Ų | 16 | 50 Ų | 50 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.1 | 175.9 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | V51 G52 L57 | V44-V51 PolarHBondContact O-N 2.92Å; V44-G52 WeakPolarHBondContact CB-O 3.45Å; V44-G52 PolarHBondContact N-O 3.07Å; V44-G52 PolarHBondContact O-N 2.86Å; V44-L57 HydrophobicContact CG1-CB 4.19Å; V44-L57 HydrophobicContact CG1-CD1 4.08Å; V44-L57 HydrophobicContact CG1-CD2 3.94Å; V44-L57 HydrophobicContact CG1-CG 4.28Å |
| 45 | F | 90.3 | Very high | 87.9 | Confident | 59 Ų | 59 | 51.3 Ų | 51.3 | 26% | 0.259 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.2 | 176.4 | -66.3 | -99.3 | 0 | 0 | 0 | 110 | Y35 A36 L43 D49 C50 | Y35-F45 HydrophobicContact CD1-CE1 4.32Å; Y35-F45 HydrophobicContact CE1-CE1 4.05Å; A36-F45 HydrophobicContact CB-CZ 4.31Å; L43-F45 HydrophobicContact CB-CD2 4.38Å; L43-F45 HydrophobicContact CB-CE2 3.65Å; L43-F45 HydrophobicContact CB-CZ 4.34Å; L43-F45 HydrophobicContact CD1-CE2 4.4Å; L43-F45 HydrophobicContact CD1-CZ 4.43Å; F45-D49 CarbonylContact C-O 3.55Å; F45-D49 VanDerWaalsContact CA-O 3.25Å; F45-D49 WeakPolarHBondContact CA-O 3.41Å; F45-C50 HydrophobicContact CD1-CB 3.85Å; F45-C50 HydrophobicContact CE1-CB 3.52Å; F45-C50 HydrophobicContact CZ-CB 4.05Å |
| 46 | V | 91 | Very high | 88.1 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 9% | 0.085 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 120.8 | 172.9 | 177.2 | 0 | 0 | 0 | 0 | 107.4 | G48 D49 V51 L57 L66 C69 L70 | V46-G48 PolarHBondContact O-N 2.66Å; V46-D49 PolarHBondContact N-O 3.5Å; V46-D49 PolarHBondContact O-N 3.03Å; V46-V51 HydrophobicContact CB-CG2 3.84Å; V46-V51 HydrophobicContact CG2-CG2 3.58Å; V46-L57 HydrophobicContact CG2-CD1 3.88Å; V46-L66 HydrophobicContact CG1-CD1 4.09Å; V46-L66 HydrophobicContact CG2-CD1 3.85Å; V46-C69 HydrophobicContact CG1-CB 3.76Å; V46-L70 HydrophobicContact CG1-CD2 4.15Å |
| 47 | K | 86.6 | Confident | 88.2 | Confident | 82 Ų | 82 | 53.4 Ų | 53.4 | 36% | 0.357 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 22.3 | -171.5 | -73.7 | -167.9 | 175.3 | 163.6 | 0 | 115.1 | C69 E71 D239 R240 | K47-C69 WeakPolarHBondContact CD-O 3.3Å; K47-C69 WeakPolarHBondContact CE-O 3.38Å; K47-C69 PolarHBondContact NZ-O 3.09Å; K47-E71 PolarHBondContact NZ-O 2.71Å; K47-D239 IonicContact NZ-OD1 2.86Å; K47-D239 PolarHBondContact NZ-OD1 2.95Å; K47-R240 PolarHBondContact O-NH2 3.23Å |
| 48 | G | 85.5 | Confident | 88.5 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -7.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | V46 | V46-G48 PolarHBondContact O-N 2.66Š|
| 49 | D | 88.8 | Confident | 88.6 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.043 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.3 | 172 | -61.5 | -71.9 | 0 | 0 | 0 | 110.2 | F45 V46 V51 R240 P443 Y446 | F45-D49 CarbonylContact C-O 3.55Å; F45-D49 VanDerWaalsContact CA-O 3.25Å; F45-D49 WeakPolarHBondContact CA-O 3.41Å; V46-D49 PolarHBondContact N-O 3.5Å; V46-D49 PolarHBondContact O-N 3.03Å; D49-V51 PolarHBondContact O-N 2.91Å; D49-R240 IonicContact OD1-CZ 3.23Å; D49-R240 IonicContact OD1-NE 2.92Å; D49-R240 PolarHBondContact OD1-NE 3.47Å; D49-R240 IonicContact OD1-NH2 2.75Å; D49-R240 IonicContact OD2-CZ 2.7Å; D49-R240 VanDerWaalsContact OD2-CZ 3.23Å; D49-R240 IonicContact OD2-NE 2.64Å; D49-R240 PolarHBondContact OD2-NE 2.97Å; D49-R240 IonicContact OD2-NH2 2.79Å; D49-R240 PolarHBondContact OD2-NH2 3.42Å; D49-P443 HydrophobicContact CB-CB 4.4Å; D49-Y446 WeakPolarHBondContact OD1-CE2 3.42Å; D49-Y446 PolarHBondContact OD1-OH 3.08Å |
| 50 | C | 91.1 | Very high | 88.8 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.02 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 113.4 | 176.2 | -170.5 | 0 | 0 | 0 | 0 | 109.9 | A36 F45 Q438 | A36-C50 HydrophobicContact CB-CB 4.15Å; F45-C50 HydrophobicContact CD1-CB 3.85Å; F45-C50 HydrophobicContact CE1-CB 3.52Å; F45-C50 HydrophobicContact CZ-CB 4.05Å; C50-Q438 PolarHBondContact O-NE2 2.86Å; C50-Q438 VanDerWaalsContact O-NE2 3.17Å; C50-Q438 PolarHBondContact O-OE1 3.04Å |
| 51 | V | 91.2 | Very high | 89.2 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 4% | 0.036 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -29 | 176 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | R38 V44 V46 D49 D56 L60 P443 | R38-V51 VanDerWaalsContact NH2-C 3.26Å; R38-V51 PolarHBondContact NH2-O 2.66Å; V44-V51 PolarHBondContact O-N 2.92Å; V46-V51 HydrophobicContact CB-CG2 3.84Å; V46-V51 HydrophobicContact CG2-CG2 3.58Å; D49-V51 PolarHBondContact O-N 2.91Å; V51-D56 HydrophobicContact CG1-CB 4.17Å; V51-D56 VanDerWaalsContact O-CB 3.27Å; V51-D56 WeakPolarHBondContact O-CB 3.34Å; V51-L60 HydrophobicContact CG1-CB 4.33Å; V51-L60 HydrophobicContact CG1-CD2 4.01Å; V51-L60 HydrophobicContact CG2-CD2 4.06Å; V51-P443 HydrophobicContact CB-CG 4.42Å; V51-P443 HydrophobicContact CG1-CG 4.36Å; V51-P443 HydrophobicContact CG2-CB 4.25Å; V51-P443 HydrophobicContact CG2-CG 4.21Å |
| 52 | G | 88.7 | Confident | 89.6 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.5 | -132.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L43 V44 D56 | L43-G52 CarbonylContact C-O 3.6Å; L43-G52 WeakPolarHBondContact CA-O 3.39Å; V44-G52 WeakPolarHBondContact CB-O 3.45Å; V44-G52 PolarHBondContact N-O 3.07Å; V44-G52 PolarHBondContact O-N 2.86Å; G52-D56 VanDerWaalsContact CA-OD2 3.28Å; G52-D56 WeakPolarHBondContact CA-OD2 3.46Å |
| 53 | C | 89.1 | Confident | 89.6 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -88.5 | -177.6 | 177.4 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | P42 C55 D56 L57 | P42-C53 WeakPolarHBondContact O-CA 3.45Å; C53-C55 PolarHBondContact O-N 2.93Å; C53-D56 PolarHBondContact N-OD2 2.79Å; C53-D56 PolarHBondContact O-N 3.37Å; C53-L57 PolarHBondContact O-N 3.26Å; C53-L57 VanDerWaalsContact O-N 3.14Å |
| 54 | A | 87.7 | Confident | 89.6 | Confident | 62 Ų | 62 | 51 Ų | 51 | 51% | 0.512 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.1 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | L57 E58 | A54-L57 PolarHBondContact O-N 2.89Å; A54-E58 PolarHBondContact O-N 2.75Å |
| 55 | C | 89.6 | Confident | 89.5 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -67.8 | -38.9 | 177.6 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | C53 L57 E58 E59 | C53-C55 PolarHBondContact O-N 2.93Å; C55-L57 VanDerWaalsContact C-N 3.31Å; C55-L57 PolarHBondContact O-N 3.39Å; C55-E58 PolarHBondContact O-N 2.78Å; C55-E59 WeakPolarHBondContact O-CB 3.41Å; C55-E59 PolarHBondContact O-N 2.97Å |
| 56 | D | 90 | Very high | 89.5 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 34% | 0.337 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 174.8 | -66.6 | -40.6 | 0 | 0 | 0 | 111.2 | R38 V51 G52 C53 L60 | R38-D56 IonicContact CZ-OD2 3.55Å; R38-D56 IonicContact NH1-OD2 2.79Å; R38-D56 PolarHBondContact NH1-OD2 3.27Å; V51-D56 HydrophobicContact CG1-CB 4.17Å; V51-D56 VanDerWaalsContact O-CB 3.27Å; V51-D56 WeakPolarHBondContact O-CB 3.34Å; G52-D56 VanDerWaalsContact CA-OD2 3.28Å; G52-D56 WeakPolarHBondContact CA-OD2 3.46Å; C53-D56 PolarHBondContact N-OD2 2.79Å; C53-D56 PolarHBondContact O-N 3.37Å; D56-L60 WeakPolarHBondContact O-CB 3.46Å; D56-L60 PolarHBondContact O-N 3.21Å |
| 57 | L | 90.6 | Very high | 89.5 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 174.8 | -178.3 | 69.7 | 0 | 0 | 0 | 111.9 | V44 V46 C53 A54 C55 E59 L60 N61 L66 | V44-L57 HydrophobicContact CG1-CB 4.19Å; V44-L57 HydrophobicContact CG1-CD1 4.08Å; V44-L57 HydrophobicContact CG1-CD2 3.94Å; V44-L57 HydrophobicContact CG1-CG 4.28Å; V46-L57 HydrophobicContact CG2-CD1 3.88Å; C53-L57 PolarHBondContact O-N 3.26Å; C53-L57 VanDerWaalsContact O-N 3.14Å; A54-L57 PolarHBondContact O-N 2.89Å; C55-L57 VanDerWaalsContact C-N 3.31Å; C55-L57 PolarHBondContact O-N 3.39Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 2.95Å; L57-L60 WeakPolarHBondContact O-CB 3.44Å; L57-L60 PolarHBondContact O-N 2.85Å; L57-N61 PolarHBondContact O-N 2.83Å; L57-L66 HydrophobicContact CD1-CD1 3.82Å; L57-L66 HydrophobicContact CD1-CD2 4.04Å |
| 58 | E | 91.9 | Very high | 89.8 | Confident | 102 Ų | 102 | 53.9 Ų | 53.9 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 178.4 | -166.6 | -170.9 | 154 | 0 | 0 | 111.3 | A54 C55 N61 K62 | A54-E58 PolarHBondContact O-N 2.75Å; C55-E58 PolarHBondContact O-N 2.78Å; E58-N61 PolarHBondContact O-N 2.83Å; E58-K62 HydrophobicContact CG-CD 4.4Å; E58-K62 WeakPolarHBondContact O-CB 3.36Å; E58-K62 WeakPolarHBondContact O-CG 3.38Å; E58-K62 PolarHBondContact O-N 2.99Å; E58-K62 WeakPolarHBondContact OE1-CE 3.41Å; E58-K62 IonicContact OE1-NZ 2.7Å; E58-K62 PolarHBondContact OE1-NZ 2.87Å |
| 59 | E | 90.4 | Very high | 90.1 | Very high | 99 Ų | 99 | 52.5 Ų | 52.5 | 46% | 0.463 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 174.9 | -174.1 | 56.1 | -149.4 | 0 | 0 | 111.7 | C55 L57 N61 K62 R63 | C55-E59 WeakPolarHBondContact O-CB 3.41Å; C55-E59 PolarHBondContact O-N 2.97Å; L57-E59 VanDerWaalsContact C-N 3.32Å; L57-E59 PolarHBondContact O-N 2.95Å; E59-N61 VanDerWaalsContact C-N 3.26Å; E59-N61 PolarHBondContact O-N 2.76Å; E59-K62 PolarHBondContact O-N 2.9Å; E59-R63 WeakPolarHBondContact O-CG 3.29Å; E59-R63 PolarHBondContact O-N 2.78Å |
| 60 | L | 89.1 | Confident | 90.2 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.2 | -39.6 | 173.8 | -166 | 78.3 | 0 | 0 | 0 | 111.5 | V51 D56 L57 L65 L66 | V51-L60 HydrophobicContact CG1-CB 4.33Å; V51-L60 HydrophobicContact CG1-CD2 4.01Å; V51-L60 HydrophobicContact CG2-CD2 4.06Å; D56-L60 WeakPolarHBondContact O-CB 3.46Å; D56-L60 PolarHBondContact O-N 3.21Å; L57-L60 WeakPolarHBondContact O-CB 3.44Å; L57-L60 PolarHBondContact O-N 2.85Å; L60-L65 HydrophobicContact CD1-CB 3.68Å; L60-L65 HydrophobicContact CD1-CD1 3.93Å; L60-L65 HydrophobicContact CD1-CG 4.47Å; L60-L65 HydrophobicContact CG-CB 3.91Å; L60-L65 PolarHBondContact O-N 2.99Å; L60-L66 HydrophobicContact CD2-CB 4.26Å; L60-L66 HydrophobicContact CD2-CD1 4.19Å; L60-L66 HydrophobicContact CG-CB 4.39Å; L60-L66 PolarHBondContact O-N 3.41Å |
| 61 | N | 92.1 | Very high | 90.3 | Very high | 62 Ų | 62 | 59.8 Ų | 59.8 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.7 | -43.4 | 176.8 | -174.4 | 61 | 0 | 0 | 0 | 112.5 | L57 E58 E59 R63 G64 L66 | L57-N61 PolarHBondContact O-N 2.83Å; E58-N61 PolarHBondContact O-N 2.83Å; E59-N61 VanDerWaalsContact C-N 3.26Å; E59-N61 PolarHBondContact O-N 2.76Å; N61-R63 PolarHBondContact O-N 2.81Å; N61-G64 PolarHBondContact O-N 3.37Å; N61-L66 HydrophobicContact CB-CB 4.11Å; N61-L66 HydrophobicContact CB-CD2 3.92Å |
| 62 | K | 91.2 | Very high | 90.5 | Very high | 137 Ų | 137 | 67.2 Ų | 67.2 | 60% | 0.596 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.2 | -35.9 | 176 | -80.2 | 168.9 | 170 | 163.2 | 0 | 112.2 | E58 E59 G64 | E58-K62 HydrophobicContact CG-CD 4.4Å; E58-K62 WeakPolarHBondContact O-CB 3.36Å; E58-K62 WeakPolarHBondContact O-CG 3.38Å; E58-K62 PolarHBondContact O-N 2.99Å; E58-K62 WeakPolarHBondContact OE1-CE 3.41Å; E58-K62 IonicContact OE1-NZ 2.7Å; E58-K62 PolarHBondContact OE1-NZ 2.87Å; E59-K62 PolarHBondContact O-N 2.9Å; K62-G64 PolarHBondContact O-N 3.06Å |
| 63 | R | 87.6 | Confident | 90.9 | Very high | 117 Ų | 117 | 67.8 Ų | 67.8 | 44% | 0.442 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -0.8 | 175.1 | -67.5 | 174 | 62.5 | -169.1 | -0.7 | 114.1 | E59 N61 L65 L404 | E59-R63 WeakPolarHBondContact O-CG 3.29Å; E59-R63 PolarHBondContact O-N 2.78Å; N61-R63 PolarHBondContact O-N 2.81Å; R63-L65 HydrophobicContact CB-CD1 4.12Å; R63-L65 HydrophobicContact CB-CG 3.97Å; R63-L65 PolarHBondContact O-N 3.5Å; R63-L404 PolarHBondContact NH2-O 2.96Å |
| 64 | G | 87.2 | Confident | 91.3 | Very high | 35 Ų | 35 | 71.4 Ų | 71.4 | 36% | 0.361 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | -7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | N61 K62 L66 K67 | N61-G64 PolarHBondContact O-N 3.37Å; K62-G64 PolarHBondContact O-N 3.06Å; G64-L66 PolarHBondContact O-N 2.82Å; G64-K67 PolarHBondContact O-N 3.23Å |
| 65 | L | 88.9 | Confident | 91.8 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.8 | -29.6 | -173 | -63.4 | 178.9 | 0 | 0 | 0 | 113.1 | L60 R63 K67 E68 C69 S221 | L60-L65 HydrophobicContact CD1-CB 3.68Å; L60-L65 HydrophobicContact CD1-CD1 3.93Å; L60-L65 HydrophobicContact CD1-CG 4.47Å; L60-L65 HydrophobicContact CG-CB 3.91Å; L60-L65 PolarHBondContact O-N 2.99Å; R63-L65 HydrophobicContact CB-CD1 4.12Å; R63-L65 HydrophobicContact CB-CG 3.97Å; R63-L65 PolarHBondContact O-N 3.5Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.17Å; L65-E68 VanDerWaalsContact CD2-OE2 3.31Å; L65-E68 WeakPolarHBondContact CD2-OE2 2.88Å; L65-E68 PolarHBondContact O-N 2.97Å; L65-C69 PolarHBondContact O-N 2.77Å; L65-C69 PolarHBondContact O-SG 2.8Å; L65-S221 VanDerWaalsContact CD2-CB 3.44Å |
| 66 | L | 91.2 | Very high | 92.2 | Very high | 13 Ų | 13 | 66.2 Ų | 66.2 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.6 | -40 | 179 | 178.6 | 59.1 | 0 | 0 | 0 | 111.5 | V46 L57 L60 N61 G64 C69 L70 | V46-L66 HydrophobicContact CG1-CD1 4.09Å; V46-L66 HydrophobicContact CG2-CD1 3.85Å; L57-L66 HydrophobicContact CD1-CD1 3.82Å; L57-L66 HydrophobicContact CD1-CD2 4.04Å; L60-L66 HydrophobicContact CD2-CB 4.26Å; L60-L66 HydrophobicContact CD2-CD1 4.19Å; L60-L66 HydrophobicContact CG-CB 4.39Å; L60-L66 PolarHBondContact O-N 3.41Å; N61-L66 HydrophobicContact CB-CB 4.11Å; N61-L66 HydrophobicContact CB-CD2 3.92Å; G64-L66 PolarHBondContact O-N 2.82Å; L66-C69 PolarHBondContact O-N 3.11Å; L66-L70 HydrophobicContact CD1-CD1 4.45Å; L66-L70 HydrophobicContact CG-CD1 4.49Å; L66-L70 WeakPolarHBondContact O-CG 3.01Å; L66-L70 PolarHBondContact O-N 3.1Å |
| 67 | K | 91.9 | Very high | 92.6 | Very high | 147 Ų | 147 | 63.3 Ų | 63.3 | 64% | 0.639 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 177.8 | -177.3 | -174.2 | 170.8 | -167.5 | 0 | 110.4 | G64 L65 C69 L70 E71 | G64-K67 PolarHBondContact O-N 3.23Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.17Å; K67-C69 PolarHBondContact O-N 3.27Å; K67-L70 WeakPolarHBondContact O-CA 3.16Å; K67-L70 WeakPolarHBondContact O-CB 3.26Å; K67-L70 PolarHBondContact O-N 3.24Å; K67-E71 PolarHBondContact O-N 2.71Å |
| 68 | E | 91.7 | Very high | 93 | Very high | 59 Ų | 59 | 61.7 Ų | 61.7 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | -179.4 | -62.4 | 167.2 | 167.2 | 0 | 0 | 111.9 | L65 L70 E71 H73 S221 | L65-E68 VanDerWaalsContact CD2-OE2 3.31Å; L65-E68 WeakPolarHBondContact CD2-OE2 2.88Å; L65-E68 PolarHBondContact O-N 2.97Å; E68-L70 PolarHBondContact O-N 2.93Å; E68-L70 VanDerWaalsContact O-N 3.14Å; E68-E71 PolarHBondContact O-N 3.38Å; E68-E71 VanDerWaalsContact O-N 3.09Å; E68-H73 PolarHBondContact O-CE1 3.03Å; E68-H73 PolarHBondContact O-NE2 3.28Å; E68-S221 PolarHBondContact OE1-OG 2.81Å; E68-S221 WeakPolarHBondContact OE2-CB 3.21Å; E68-S221 PolarHBondContact OE2-OG 2.87Å |
| 69 | C | 91.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.2 | -32.3 | 171.8 | -71 | 0 | 0 | 0 | 0 | 112.2 | V46 K47 L65 L66 K67 H222 | V46-C69 HydrophobicContact CG1-CB 3.76Å; K47-C69 WeakPolarHBondContact CD-O 3.3Å; K47-C69 WeakPolarHBondContact CE-O 3.38Å; K47-C69 PolarHBondContact NZ-O 3.09Å; L65-C69 PolarHBondContact O-N 2.77Å; L65-C69 PolarHBondContact O-SG 2.8Å; L66-C69 PolarHBondContact O-N 3.11Å; K67-C69 PolarHBondContact O-N 3.27Å; C69-H222 PolarHBondContact SG-NE2 2.91Å |
| 70 | L | 92.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 52.4 Ų | 52.4 | 39% | 0.387 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -88.3 | -12.6 | -178.6 | -63.5 | 174.2 | 0 | 0 | 0 | 113.7 | V46 L66 K67 E68 | V46-L70 HydrophobicContact CG1-CD2 4.15Å; L66-L70 HydrophobicContact CD1-CD1 4.45Å; L66-L70 HydrophobicContact CG-CD1 4.49Å; L66-L70 WeakPolarHBondContact O-CG 3.01Å; L66-L70 PolarHBondContact O-N 3.1Å; K67-L70 WeakPolarHBondContact O-CA 3.16Å; K67-L70 WeakPolarHBondContact O-CB 3.26Å; K67-L70 PolarHBondContact O-N 3.24Å; E68-L70 PolarHBondContact O-N 2.93Å; E68-L70 VanDerWaalsContact O-N 3.14Å |
| 71 | E | 93.5 | Very high | 94 | Very high | 89 Ų | 89 | 52.3 Ų | 52.3 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -68.8 | 158.2 | 178.4 | -72.3 | 176.9 | -178.3 | 0 | 0 | 112.5 | K47 K67 E68 H73 | K47-E71 PolarHBondContact NZ-O 2.71Å; K67-E71 PolarHBondContact O-N 2.71Å; E68-E71 PolarHBondContact O-N 3.38Å; E68-E71 VanDerWaalsContact O-N 3.09Å; E71-H73 PolarHBondContact O-CE1 2.69Å; E71-H73 PolarHBondContact O-ND1 2.67Å |
| 72 | D | 94.1 | Very high | 94.2 | Very high | 162 Ų | 162 | 49.3 Ų | 49.3 | 87% | 0.866 | 24% | 0.24 | S | C | * | . | trans | -79.9 | 120.3 | 176 | -75 | -36.6 | 0 | 0 | 0 | 110.7 | ||||
| 73 | H | 97.2 | Very high | 94.4 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 7% | 0.065 | 22% | 0.219 | C | C | . | . | trans | -104.1 | 159.8 | 176.9 | -58 | 111.5 | 0 | 0 | 0 | 112.4 | E68 E71 Y75 R99 H222 D239 | E68-H73 PolarHBondContact O-CE1 3.03Å; E68-H73 PolarHBondContact O-NE2 3.28Å; E71-H73 PolarHBondContact O-CE1 2.69Å; E71-H73 PolarHBondContact O-ND1 2.67Å; H73-Y75 VanDerWaalsContact C-N 3.34Å; H73-Y75 PolarHBondContact O-N 3.46Å; H73-R99 VanDerWaalsContact O-CZ 3.31Å; H73-R99 PolarHBondContact O-NH1 3.45Å; H73-R99 PolarHBondContact O-NH2 2.8Å; H73-H222 AromaticContact CE1-CG 3.61Å; H73-H222 AromaticContact CE1-ND1 3.61Å; H73-H222 WeakPolarHBondContact NE2-CB 3.33Å; H73-H222 AromaticContact NE2-CG 3.66Å; H73-D239 IonicContact CE1-OD1 3.76Å; H73-D239 IonicContact CG-OD1 3.71Å; H73-D239 IonicContact ND1-OD1 2.78Å; H73-D239 PolarHBondContact ND1-OD1 3.26Å | ||
| 74 | K | 97.9 | Very high | 94.9 | Very high | 110 Ų | 110 | 39 Ų | 39 | 48% | 0.478 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -66.4 | -35 | 179.3 | -175 | 175.3 | 177.7 | -177.3 | 0 | 112.9 | R99 T237 | K74-R99 VanDerWaalsContact O-CZ 3.31Å; K74-R99 PolarHBondContact O-NH1 2.84Å; K74-R99 VanDerWaalsContact O-NH1 3.14Å; K74-T237 PolarHBondContact N-OG1 3.27Å; K74-T237 VanDerWaalsContact N-OG1 3.08Å |
| 75 | Y | 98.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 37.6 Ų | 37.6 | 7% | 0.071 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -127.5 | 148.9 | -177.4 | -61.9 | -75.8 | 0 | 0 | 0 | 111.5 | H73 V78 R99 A101 V210 V236 T237 S238 D239 | H73-Y75 VanDerWaalsContact C-N 3.34Å; H73-Y75 PolarHBondContact O-N 3.46Å; Y75-V78 HydrophobicContact CD2-CG2 4.01Å; Y75-V78 HydrophobicContact CG-CG2 4.23Å; Y75-R99 CarbonylContact C-O 3.34Å; Y75-R99 WeakPolarHBondContact CA-O 3.31Å; Y75-R99 WeakPolarHBondContact CB-O 3.37Å; Y75-R99 HydrophobicContact CD1-CB 4.19Å; Y75-A101 HydrophobicContact CD1-CB 3.97Å; Y75-A101 HydrophobicContact CD2-CB 4.16Å; Y75-A101 HydrophobicContact CE1-CB 3.79Å; Y75-A101 HydrophobicContact CE2-CB 3.98Å; Y75-A101 HydrophobicContact CG-CB 4.16Å; Y75-V210 HydrophobicContact CE1-CB 4.21Å; Y75-V210 HydrophobicContact CE1-CG2 3.97Å; Y75-V236 HydrophobicContact CD2-CG1 3.48Å; Y75-V236 VanDerWaalsContact CD2-CG1 3.48Å; Y75-V236 HydrophobicContact CE2-CG1 3.52Å; Y75-T237 PolarHBondContact N-O 3.27Å; Y75-S238 CarbonylContact O-C 3.56Å; Y75-S238 WeakPolarHBondContact O-CA 3.27Å; Y75-S238 WeakPolarHBondContact O-CB 3.38Å; Y75-S238 PolarHBondContact O-OG 3.21Å; Y75-D239 PolarHBondContact O-N 3.47Å |
| 76 | D | 98.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 37 Ų | 37 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -83.7 | -25.3 | 173.3 | -44 | -39.1 | 0 | 0 | 0 | 110.8 | K98 R99 F474 | D76-K98 HydrophobicContact CB-CB 4.12Å; D76-K98 HydrophobicContact CB-CD 4.12Å; D76-K98 VanDerWaalsContact OD2-CA 3.25Å; D76-K98 WeakPolarHBondContact OD2-CA 3.48Å; D76-K98 WeakPolarHBondContact OD2-CD 3.28Å; D76-R99 PolarHBondContact N-O 3.34Å; D76-R99 IonicContact OD1-CZ 3.49Å; D76-R99 IonicContact OD1-NE 3.23Å; D76-R99 PolarHBondContact OD1-NE 3.24Å; D76-R99 IonicContact OD1-NH2 2.85Å; D76-R99 PolarHBondContact OD1-NH2 3.43Å; D76-R99 PolarHBondContact OD2-N 2.84Å; D76-R99 IonicContact OD2-NE 3.89Å; D76-F474 HydrophobicContact CB-CE1 4.39Å |
| 77 | L | 98.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 129.6 | 173.1 | -179.3 | 65.9 | 0 | 0 | 0 | 111.6 | V79 A93 R99 V100 A101 S238 R240 L242 F474 | L77-V79 HydrophobicContact CD2-CG2 3.83Å; L77-V79 HydrophobicContact CG-CG2 3.99Å; L77-A93 HydrophobicContact CD2-CB 3.89Å; L77-R99 PolarHBondContact N-O 2.73Å; L77-V100 HydrophobicContact CB-CG1 4.5Å; L77-V100 HydrophobicContact CB-CG2 4.39Å; L77-V100 WeakPolarHBondContact O-CA 3.35Å; L77-A101 PolarHBondContact O-N 3.09Å; L77-A101 VanDerWaalsContact O-N 3.09Å; L77-S238 WeakPolarHBondContact CA-OG 3.34Å; L77-S238 PolarHBondContact N-OG 3.2Å; L77-R240 HydrophobicContact CD1-CB 3.96Å; L77-L242 HydrophobicContact CD1-CB 4.05Å; L77-F474 HydrophobicContact CB-CE2 4.28Å; L77-F474 HydrophobicContact CB-CZ 4.06Å; L77-F474 HydrophobicContact CD2-CE2 4.19Å |
| 78 | V | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.6 | 164.2 | 169.5 | 0 | 0 | 0 | 0 | 109.6 | Y75 V80 A101 L103 V236 S238 R240 F241 L242 | Y75-V78 HydrophobicContact CD2-CG2 4.01Å; Y75-V78 HydrophobicContact CG-CG2 4.23Å; V78-V80 HydrophobicContact CG1-CG2 4.38Å; V78-A101 WeakPolarHBondContact CA-O 3.16Å; V78-A101 HydrophobicContact CG2-CB 4.29Å; V78-L103 HydrophobicContact CG1-CD1 3.59Å; V78-V236 HydrophobicContact CG2-CG1 3.71Å; V78-S238 VanDerWaalsContact CG2-CB 3.47Å; V78-S238 PolarHBondContact N-OG 3.2Å; V78-R240 PolarHBondContact N-O 2.76Å; V78-F241 HydrophobicContact CB-CD1 3.81Å; V78-F241 HydrophobicContact CB-CE1 3.85Å; V78-F241 HydrophobicContact CG1-CD1 3.92Å; V78-F241 HydrophobicContact CG1-CE1 4.01Å; V78-F241 HydrophobicContact CG2-CE1 4.34Å; V78-F241 WeakPolarHBondContact O-CA 3.42Å; V78-L242 PolarHBondContact O-N 3.16Å |
| 79 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 124.3 | 175 | -175.7 | 0 | 0 | 0 | 0 | 109.5 | L77 A90 V100 A101 V102 L103 L242 A244 | L77-V79 HydrophobicContact CD2-CG2 3.83Å; L77-V79 HydrophobicContact CG-CG2 3.99Å; V79-A90 HydrophobicContact CG2-CB 4.01Å; V79-V100 HydrophobicContact CG2-CG1 4.48Å; V79-A101 PolarHBondContact N-O 3.36Å; V79-V102 HydrophobicContact CB-CG2 4.22Å; V79-V102 WeakPolarHBondContact O-CA 3.25Å; V79-L103 PolarHBondContact O-N 3.31Å; V79-L242 WeakPolarHBondContact CA-O 3.48Å; V79-L242 HydrophobicContact CG1-CB 4.46Å; V79-L242 HydrophobicContact CG1-CD2 4.19Å; V79-L242 HydrophobicContact CG1-CG 4.39Å; V79-L242 HydrophobicContact CG2-CB 4.24Å; V79-L242 HydrophobicContact CG2-CD2 4.16Å; V79-A244 HydrophobicContact CG1-CB 4.34Å |
| 80 | V | 98.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.036 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 100.9 | 175.6 | -172.7 | 0 | 0 | 0 | 0 | 108.5 | V78 L224 L242 I243 A244 T245 L399 | V78-V80 HydrophobicContact CG1-CG2 4.38Å; V80-L224 HydrophobicContact CG2-CD1 3.9Å; V80-L242 PolarHBondContact N-O 3.38Å; V80-I243 HydrophobicContact CB-CD1 4.27Å; V80-I243 HydrophobicContact CG2-CD1 4.23Å; V80-A244 CarbonylContact O-C 3.59Å; V80-A244 WeakPolarHBondContact O-CA 3.48Å; V80-A244 PolarHBondContact O-N 3.27Å; V80-T245 HydrophobicContact CG1-CG2 3.84Å; V80-T245 WeakPolarHBondContact O-CG2 3.18Å; V80-T245 PolarHBondContact O-N 3.27Å; V80-L399 HydrophobicContact CG1-CD2 3.91Å |
| 81 | G | 96.2 | Very high | 97.5 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 7% | 0.072 | 13% | 0.134 | C | C | . | . | trans | 122.8 | 114.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G83 L103 | G81-G83 PolarHBondContact O-N 2.83Å; G81-L103 WeakPolarHBondContact CA-O 3.4Å; G81-L103 PolarHBondContact N-O 3.18Å | ||
| 82 | G | 95.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -87.4 | 24.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L87 D104 G124 | G82-L87 VanDerWaalsContact O-CD1 3.3Å; G82-L87 WeakPolarHBondContact O-CD1 3.3Å; G82-L87 WeakPolarHBondContact O-CG 3.49Å; G82-D104 VanDerWaalsContact CA-CG 3.44Å; G82-D104 WeakPolarHBondContact CA-OD1 3.29Å; G82-D104 VanDerWaalsContact N-CG 3.32Å; G82-D104 PolarHBondContact N-OD1 3.3Å; G82-G124 WeakPolarHBondContact O-CA 3.38Å; G82-G124 PolarHBondContact O-N 3.22Å | ||
| 83 | G | 95.8 | Very high | 98 | Very high | 14 Ų | 14 | 14.3 Ų | 14.3 | 14% | 0.144 | 8% | 0.076 | C | C | . | . | B | Isolated β-bridge | trans | -72.9 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G81 G85 G86 L87 | G81-G83 PolarHBondContact O-N 2.83Å; G83-G85 VanDerWaalsContact C-N 3.32Å; G83-G85 PolarHBondContact O-N 3.26Å; G83-G86 PolarHBondContact O-N 3.09Å; G83-L87 WeakPolarHBondContact O-CB 3.45Å; G83-L87 WeakPolarHBondContact O-CG 3.44Å; G83-L87 PolarHBondContact O-N 3.45Å |
| 84 | S | 97.1 | Very high | 98 | Very high | 22 Ų | 22 | 14.5 Ų | 14.5 | 15% | 0.154 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.5 | -39.9 | -175.1 | -49 | 0 | 0 | 0 | 0 | 114 | A88 T459 | S84-A88 VanDerWaalsContact O-CB 3.24Å; S84-A88 WeakPolarHBondContact O-CB 3.33Å; S84-A88 PolarHBondContact O-N 3.07Å; S84-T459 WeakPolarHBondContact OG-CG2 3.29Å |
| 85 | G | 98 | Very high | 98 | Very high | 6 Ų | 6 | 15 Ų | 15 | 6% | 0.062 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.6 | -48.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | G83 A88 A89 A462 | G83-G85 VanDerWaalsContact C-N 3.32Å; G83-G85 PolarHBondContact O-N 3.26Å; G85-A88 PolarHBondContact O-N 3.2Å; G85-A89 PolarHBondContact O-N 3.35Å; G85-A462 VanDerWaalsContact CA-O 3.25Å; G85-A462 WeakPolarHBondContact CA-O 3.35Å |
| 86 | G | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G83 A88 A89 A90 | G83-G86 PolarHBondContact O-N 3.09Å; G86-A88 VanDerWaalsContact C-N 3.32Å; G86-A88 PolarHBondContact O-N 3Å; G86-A89 PolarHBondContact O-N 3.17Å; G86-A90 WeakPolarHBondContact O-CB 3.44Å; G86-A90 PolarHBondContact O-N 3.46Å |
| 87 | L | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.5 | -38.4 | 173.8 | -72.2 | 177.5 | 0 | 0 | 0 | 112.5 | G82 G83 K91 L123 H200 L204 | G82-L87 VanDerWaalsContact O-CD1 3.3Å; G82-L87 WeakPolarHBondContact O-CD1 3.3Å; G82-L87 WeakPolarHBondContact O-CG 3.49Å; G83-L87 WeakPolarHBondContact O-CB 3.45Å; G83-L87 WeakPolarHBondContact O-CG 3.44Å; G83-L87 PolarHBondContact O-N 3.45Å; L87-K91 WeakPolarHBondContact O-CB 3.23Å; L87-K91 WeakPolarHBondContact O-CE 3.32Å; L87-K91 VanDerWaalsContact O-CG 3.24Å; L87-K91 WeakPolarHBondContact O-CG 3.41Å; L87-K91 PolarHBondContact O-N 2.97Å; L87-K91 VanDerWaalsContact O-N 3.1Å; L87-L123 HydrophobicContact CD2-CD2 4.05Å; L87-H200 HydrophobicContact CD1-CB 4.17Å; L87-L204 HydrophobicContact CD2-CD1 3.75Å; L87-L204 HydrophobicContact CD2-CD2 3.92Å; L87-L204 HydrophobicContact CD2-CG 4.08Å |
| 88 | A | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.8 | -47.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S84 G85 G86 E92 I463 K467 | S84-A88 VanDerWaalsContact O-CB 3.24Å; S84-A88 WeakPolarHBondContact O-CB 3.33Å; S84-A88 PolarHBondContact O-N 3.07Å; G85-A88 PolarHBondContact O-N 3.2Å; G86-A88 VanDerWaalsContact C-N 3.32Å; G86-A88 PolarHBondContact O-N 3Å; A88-E92 VanDerWaalsContact O-CB 3.29Å; A88-E92 WeakPolarHBondContact O-CB 3.12Å; A88-E92 PolarHBondContact O-N 3.05Å; A88-I463 HydrophobicContact CB-CB 4.36Å; A88-I463 HydrophobicContact CB-CG2 3.94Å; A88-K467 HydrophobicContact CB-CG 4.08Å |
| 89 | A | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G85 G86 K91 E92 A93 L242 I448 G466 | G85-A89 PolarHBondContact O-N 3.35Å; G86-A89 PolarHBondContact O-N 3.17Å; A89-K91 PolarHBondContact O-N 3.46Å; A89-E92 PolarHBondContact O-N 3.27Å; A89-A93 WeakPolarHBondContact O-CB 3.37Å; A89-A93 PolarHBondContact O-N 3.26Å; A89-L242 HydrophobicContact CB-CD2 3.3Å; A89-I448 HydrophobicContact CB-CD1 4.42Å; A89-G466 WeakPolarHBondContact CA-O 3.37Å; A89-G466 WeakPolarHBondContact CB-O 3.3Å |
| 90 | A | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V79 G86 E92 A93 A94 V100 V102 V209 | V79-A90 HydrophobicContact CG2-CB 4.01Å; G86-A90 WeakPolarHBondContact O-CB 3.44Å; G86-A90 PolarHBondContact O-N 3.46Å; A90-E92 VanDerWaalsContact C-N 3.31Å; A90-E92 PolarHBondContact O-N 3.43Å; A90-A93 PolarHBondContact O-N 3.28Å; A90-A94 WeakPolarHBondContact O-CB 3.29Å; A90-A94 PolarHBondContact O-N 3.42Å; A90-V100 HydrophobicContact CB-CG1 3.8Å; A90-V102 HydrophobicContact CB-CG2 3.34Å; A90-V209 HydrophobicContact CB-CG1 4.28Å |
| 91 | K | 98.5 | Very high | 97.9 | Very high | 53 Ų | 53 | 29.2 Ų | 29.2 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.7 | -29.8 | 178.4 | -73 | -175.4 | -61.2 | -177.2 | 0 | 113.1 | L87 A89 M95 A203 L204 K207 | L87-K91 WeakPolarHBondContact O-CB 3.23Å; L87-K91 WeakPolarHBondContact O-CE 3.32Å; L87-K91 VanDerWaalsContact O-CG 3.24Å; L87-K91 WeakPolarHBondContact O-CG 3.41Å; L87-K91 PolarHBondContact O-N 2.97Å; L87-K91 VanDerWaalsContact O-N 3.1Å; A89-K91 PolarHBondContact O-N 3.46Å; K91-M95 WeakPolarHBondContact O-CG 3.16Å; K91-A203 HydrophobicContact CD-CB 4.17Å; K91-L204 HydrophobicContact CD-CD2 4.49Å; K91-L204 HydrophobicContact CG-CD2 3.84Å; K91-K207 HydrophobicContact CB-CD 3.85Å; K91-K207 HydrophobicContact CG-CD 4.03Å; K91-K207 WeakPolarHBondContact O-CD 3.29Å; K91-K207 PolarHBondContact O-NZ 2.96Å |
| 92 | E | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 28.9 Ų | 28.9 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -77.7 | -44.2 | 177.3 | -163.5 | 81.5 | -167.3 | 0 | 0 | 110.4 | A88 A89 A90 A94 M95 F96 K467 A470 R471 | A88-E92 VanDerWaalsContact O-CB 3.29Å; A88-E92 WeakPolarHBondContact O-CB 3.12Å; A88-E92 PolarHBondContact O-N 3.05Å; A89-E92 PolarHBondContact O-N 3.27Å; A90-E92 VanDerWaalsContact C-N 3.31Å; A90-E92 PolarHBondContact O-N 3.43Å; E92-A94 VanDerWaalsContact C-N 3.32Å; E92-A94 PolarHBondContact O-N 3.01Å; E92-M95 WeakPolarHBondContact O-CB 3.41Å; E92-M95 PolarHBondContact O-N 3.32Å; E92-M95 VanDerWaalsContact O-N 3.1Å; E92-F96 HydrophobicContact CG-CE2 4.41Å; E92-F96 VanDerWaalsContact O-CD2 3.31Å; E92-F96 WeakPolarHBondContact O-CD2 3.17Å; E92-K467 HydrophobicContact CB-CG 4.47Å; E92-K467 HydrophobicContact CG-CB 4.34Å; E92-K467 HydrophobicContact CG-CG 4.47Å; E92-A470 HydrophobicContact CB-CB 3.77Å; E92-A470 HydrophobicContact CG-CB 3.98Å; E92-R471 HydrophobicContact CG-CG 4.05Å; E92-R471 IonicContact OE1-CZ 3.18Å; E92-R471 VanDerWaalsContact OE1-CZ 3.23Å; E92-R471 IonicContact OE1-NE 2.86Å; E92-R471 PolarHBondContact OE1-NE 3.45Å; E92-R471 IonicContact OE1-NH2 3.16Å; E92-R471 PolarHBondContact OE1-NH2 2.93Å; E92-R471 IonicContact OE2-NH2 3.83Å |
| 93 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.8 | -42 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | L77 A89 A90 M95 F96 K98 V100 A470 F474 | L77-A93 HydrophobicContact CD2-CB 3.89Å; A89-A93 WeakPolarHBondContact O-CB 3.37Å; A89-A93 PolarHBondContact O-N 3.26Å; A90-A93 PolarHBondContact O-N 3.28Å; A93-M95 PolarHBondContact O-N 3.18Å; A93-F96 PolarHBondContact O-N 3.46Å; A93-K98 WeakPolarHBondContact O-CB 3.23Å; A93-K98 WeakPolarHBondContact O-CG 3.47Å; A93-V100 HydrophobicContact CB-CG2 3.82Å; A93-A470 HydrophobicContact CB-CB 4.19Å; A93-F474 HydrophobicContact CB-CD2 3.71Å; A93-F474 HydrophobicContact CB-CE2 3.66Å |
| 94 | A | 98.5 | Very high | 97.9 | Very high | 17 Ų | 17 | 29 Ų | 29 | 14% | 0.14 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.1 | -30.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A90 E92 F96 G97 V100 K207 V209 | A90-A94 WeakPolarHBondContact O-CB 3.29Å; A90-A94 PolarHBondContact O-N 3.42Å; E92-A94 VanDerWaalsContact C-N 3.32Å; E92-A94 PolarHBondContact O-N 3.01Å; A94-F96 PolarHBondContact O-N 3.03Å; A94-G97 PolarHBondContact O-N 3.31Å; A94-V100 HydrophobicContact CB-CG2 4.39Å; A94-K207 HydrophobicContact CB-CB 4.1Å; A94-V209 HydrophobicContact CB-CG2 3.56Å |
| 95 | M | 97.7 | Very high | 97.7 | Very high | 120 Ų | 120 | 31.9 Ų | 31.9 | 59% | 0.591 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -67.1 | -21.4 | 175.2 | -70.7 | 170.4 | 60.1 | 0 | 0 | 112.8 | K91 E92 A93 G97 K207 | K91-M95 WeakPolarHBondContact O-CG 3.16Å; E92-M95 WeakPolarHBondContact O-CB 3.41Å; E92-M95 PolarHBondContact O-N 3.32Å; E92-M95 VanDerWaalsContact O-N 3.1Å; A93-M95 PolarHBondContact O-N 3.18Å; M95-G97 PolarHBondContact O-N 3.45Å; M95-K207 PolarHBondContact SD-NZ 2.95Å |
| 96 | F | 97 | Very high | 97.3 | Very high | 78 Ų | 78 | 32.3 Ų | 32.3 | 34% | 0.342 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 19 | 171.5 | -66.3 | -75.7 | 0 | 0 | 0 | 112.8 | E92 A93 A94 K98 R471 F474 G475 | E92-F96 HydrophobicContact CG-CE2 4.41Å; E92-F96 VanDerWaalsContact O-CD2 3.31Å; E92-F96 WeakPolarHBondContact O-CD2 3.17Å; A93-F96 PolarHBondContact O-N 3.46Å; A94-F96 PolarHBondContact O-N 3.03Å; F96-K98 VanDerWaalsContact C-N 3.29Å; F96-K98 HydrophobicContact CB-CG 4.28Å; F96-K98 PolarHBondContact O-N 2.93Å; F96-R471 HydrophobicContact CE2-CB 4.46Å; F96-R471 HydrophobicContact CE2-CG 4.01Å; F96-R471 HydrophobicContact CZ-CB 4.49Å; F96-R471 HydrophobicContact CZ-CG 4.12Å; F96-F474 HydrophobicContact CB-CB 3.71Å; F96-F474 HydrophobicContact CD2-CB 3.96Å; F96-F474 HydrophobicContact CG-CB 3.87Å; F96-G475 VanDerWaalsContact CE1-CA 3.4Å |
| 97 | G | 97.2 | Very high | 96.9 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 70% | 0.701 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 19.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | A94 M95 | A94-G97 PolarHBondContact O-N 3.31Å; M95-G97 PolarHBondContact O-N 3.45Å |
| 98 | K | 98.1 | Very high | 96.6 | Very high | 78 Ų | 78 | 38.1 Ų | 38.1 | 34% | 0.339 | 20% | 0.202 | S | C | . | . | trans | -86.1 | 145.2 | -176.2 | -57.1 | -61.2 | 166.3 | -173.1 | 0 | 112.6 | D76 A93 F96 V100 F474 | D76-K98 HydrophobicContact CB-CB 4.12Å; D76-K98 HydrophobicContact CB-CD 4.12Å; D76-K98 VanDerWaalsContact OD2-CA 3.25Å; D76-K98 WeakPolarHBondContact OD2-CA 3.48Å; D76-K98 WeakPolarHBondContact OD2-CD 3.28Å; A93-K98 WeakPolarHBondContact O-CB 3.23Å; A93-K98 WeakPolarHBondContact O-CG 3.47Å; F96-K98 VanDerWaalsContact C-N 3.29Å; F96-K98 HydrophobicContact CB-CG 4.28Å; F96-K98 PolarHBondContact O-N 2.93Å; K98-V100 HydrophobicContact CB-CG2 4.13Å; K98-V100 PolarHBondContact O-N 3.43Å; K98-F474 HydrophobicContact CD-CD1 3.67Å; K98-F474 HydrophobicContact CD-CE1 3.94Å; K98-F474 HydrophobicContact CD-CG 4.22Å; K98-F474 HydrophobicContact CG-CB 4.15Å; K98-F474 HydrophobicContact CG-CD1 3.63Å; K98-F474 HydrophobicContact CG-CD2 4.12Å; K98-F474 HydrophobicContact CG-CE1 3.92Å; K98-F474 HydrophobicContact CG-CE2 4.43Å; K98-F474 HydrophobicContact CG-CG 3.71Å; K98-F474 HydrophobicContact CG-CZ 4.33Å | ||
| 99 | R | 98.6 | Very high | 96.3 | Very high | 121 Ų | 121 | 38.4 Ų | 38.4 | 46% | 0.457 | 20% | 0.203 | S | C | . | . | trans | -77.1 | 106.4 | 171.9 | -61.8 | 174.3 | -62.6 | 160.2 | 9 | 108.3 | H73 K74 Y75 D76 L77 | H73-R99 VanDerWaalsContact O-CZ 3.31Å; H73-R99 PolarHBondContact O-NH1 3.45Å; H73-R99 PolarHBondContact O-NH2 2.8Å; K74-R99 VanDerWaalsContact O-CZ 3.31Å; K74-R99 PolarHBondContact O-NH1 2.84Å; K74-R99 VanDerWaalsContact O-NH1 3.14Å; Y75-R99 CarbonylContact C-O 3.34Å; Y75-R99 WeakPolarHBondContact CA-O 3.31Å; Y75-R99 WeakPolarHBondContact CB-O 3.37Å; Y75-R99 HydrophobicContact CD1-CB 4.19Å; D76-R99 PolarHBondContact N-O 3.34Å; D76-R99 IonicContact OD1-CZ 3.49Å; D76-R99 IonicContact OD1-NE 3.23Å; D76-R99 PolarHBondContact OD1-NE 3.24Å; D76-R99 IonicContact OD1-NH2 2.85Å; D76-R99 PolarHBondContact OD1-NH2 3.43Å; D76-R99 PolarHBondContact OD2-N 2.84Å; D76-R99 IonicContact OD2-NE 3.89Å; L77-R99 PolarHBondContact N-O 2.73Å | ||
| 100 | V | 98.8 | Very high | 96 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 138.4 | -174.8 | -174.1 | 0 | 0 | 0 | 0 | 111.1 | L77 V79 A90 A93 A94 K98 V209 V210 | L77-V100 HydrophobicContact CB-CG1 4.5Å; L77-V100 HydrophobicContact CB-CG2 4.39Å; L77-V100 WeakPolarHBondContact O-CA 3.35Å; V79-V100 HydrophobicContact CG2-CG1 4.48Å; A90-V100 HydrophobicContact CB-CG1 3.8Å; A93-V100 HydrophobicContact CB-CG2 3.82Å; A94-V100 HydrophobicContact CB-CG2 4.39Å; K98-V100 HydrophobicContact CB-CG2 4.13Å; K98-V100 PolarHBondContact O-N 3.43Å; V100-V209 HydrophobicContact CB-CG1 4.17Å; V100-V209 HydrophobicContact CB-CG2 4.3Å; V100-V209 HydrophobicContact CG1-CG1 4.01Å; V100-V210 PolarHBondContact O-N 2.88Å |
| 101 | A | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 145.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y75 L77 V78 V79 V210 | Y75-A101 HydrophobicContact CD1-CB 3.97Å; Y75-A101 HydrophobicContact CD2-CB 4.16Å; Y75-A101 HydrophobicContact CE1-CB 3.79Å; Y75-A101 HydrophobicContact CE2-CB 3.98Å; Y75-A101 HydrophobicContact CG-CB 4.16Å; L77-A101 PolarHBondContact O-N 3.09Å; L77-A101 VanDerWaalsContact O-N 3.09Å; V78-A101 WeakPolarHBondContact CA-O 3.16Å; V78-A101 HydrophobicContact CG2-CB 4.29Å; V79-A101 PolarHBondContact N-O 3.36Å; A101-V210 CarbonylContact C-O 3.5Å; A101-V210 VanDerWaalsContact CA-O 3.22Å; A101-V210 WeakPolarHBondContact CA-O 3.22Å; A101-V210 HydrophobicContact CB-CB 4.2Å |
| 102 | V | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 121.7 | 172.8 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | V79 A90 L204 V209 V210 L212 | V79-V102 HydrophobicContact CB-CG2 4.22Å; V79-V102 WeakPolarHBondContact O-CA 3.25Å; A90-V102 HydrophobicContact CB-CG2 3.34Å; V102-L204 HydrophobicContact CG2-CD2 4.48Å; V102-V209 HydrophobicContact CG2-CG1 3.75Å; V102-V210 PolarHBondContact N-O 3.02Å; V102-L212 PolarHBondContact O-N 2.76Å |
| 103 | L | 96.5 | Very high | 94.9 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.5 | 169.1 | -73.7 | 80 | 0 | 0 | 0 | 109 | V78 V79 G81 L212 L224 A226 | V78-L103 HydrophobicContact CG1-CD1 3.59Å; V79-L103 PolarHBondContact O-N 3.31Å; G81-L103 WeakPolarHBondContact CA-O 3.4Å; G81-L103 PolarHBondContact N-O 3.18Å; L103-L212 WeakPolarHBondContact CA-O 3.21Å; L103-L212 HydrophobicContact CD1-CD1 3.99Å; L103-L212 HydrophobicContact CG-CB 4.07Å; L103-L212 HydrophobicContact CG-CD1 4.13Å; L103-L224 HydrophobicContact CD1-CD2 4.37Å; L103-L224 HydrophobicContact CD2-CD2 3.22Å; L103-L224 HydrophobicContact CD2-CG 4.48Å; L103-L224 HydrophobicContact CG-CD2 4.43Å; L103-A226 HydrophobicContact CD2-CB 3.58Å |
| 104 | D | 94.3 | Very high | 94.4 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 8% | 0.075 | 27% | 0.271 | C | S | . | . | trans | -137.7 | 130.5 | 174.7 | -165 | 39.4 | 0 | 0 | 0 | 109.7 | G82 L123 Y211 L212 N213 A214 | G82-D104 VanDerWaalsContact CA-CG 3.44Å; G82-D104 WeakPolarHBondContact CA-OD1 3.29Å; G82-D104 VanDerWaalsContact N-CG 3.32Å; G82-D104 PolarHBondContact N-OD1 3.3Å; D104-L123 HydrophobicContact CB-CD2 4.12Å; D104-Y211 HydrophobicContact CB-CE2 3.88Å; D104-L212 PolarHBondContact N-O 2.87Å; D104-L212 VanDerWaalsContact N-O 3.09Å; D104-N213 CarbonylContact O-C 3.12Å; D104-N213 WeakPolarHBondContact O-CA 3.42Å; D104-N213 PolarHBondContact O-OD1 3.34Å; D104-A214 PolarHBondContact O-N 2.83Å | ||
| 105 | Y | 92 | Very high | 93.7 | Very high | 84 Ų | 84 | 47.1 Ų | 47.1 | 33% | 0.329 | 27% | 0.269 | S | S | . | . | trans | -154.4 | 138.5 | 177.5 | -170.4 | -84 | 0 | 0 | 0 | 110.7 | V107 F215 K229 | Y105-V107 HydrophobicContact CD1-CG2 4.45Å; Y105-V107 HydrophobicContact CE1-CG2 4.37Å; Y105-F215 HydrophobicContact CD1-CB 3.9Å; Y105-F215 AromaticContact CD1-CD2 3.74Å; Y105-F215 HydrophobicContact CD1-CD2 3.74Å; Y105-F215 HydrophobicContact CD1-CG 4.29Å; Y105-F215 HydrophobicContact CD2-CB 4.25Å; Y105-F215 HydrophobicContact CE1-CB 4.47Å; Y105-F215 HydrophobicContact CE1-CD2 4.49Å; Y105-F215 HydrophobicContact CG-CB 3.77Å; Y105-F215 HydrophobicContact CG-CD2 4.23Å; Y105-K229 HydrophobicContact CE2-CB 4.34Å | ||
| 106 | V | 90.3 | Very high | 92.2 | Very high | 14 Ų | 14 | 42 Ų | 42 | 9% | 0.085 | 25% | 0.248 | C | C | . | . | trans | -116.4 | 110.5 | -177.3 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | P108 S114 W115 | V106-P108 WeakPolarHBondContact O-CD 3.37Å; V106-S114 PolarHBondContact O-OG 3Å; V106-W115 HydrophobicContact CB-CD2 4.48Å; V106-W115 HydrophobicContact CB-CZ2 4.45Å; V106-W115 HydrophobicContact CG1-CD2 3.81Å; V106-W115 HydrophobicContact CG1-CE3 3.9Å; V106-W115 HydrophobicContact CG1-CH2 3.72Å; V106-W115 HydrophobicContact CG1-CZ2 3.62Å; V106-W115 HydrophobicContact CG1-CZ3 3.85Å; V106-W115 HydrophobicContact CG2-CD2 4.06Å; V106-W115 VanDerWaalsContact CG2-CE2 3.48Å; V106-W115 HydrophobicContact CG2-CG 4.18Å; V106-W115 HydrophobicContact CG2-CZ2 3.92Å; V106-W115 VanDerWaalsContact CG2-NE1 3.26Å | ||
| 107 | V | 89.2 | Confident | 89.9 | Confident | 69 Ų | 69 | 42.3 Ų | 42.3 | 42% | 0.418 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 125.9 | 166 | -178 | 0 | 0 | 0 | 0 | 107.9 | Y105 F215 R248 | Y105-V107 HydrophobicContact CD1-CG2 4.45Å; Y105-V107 HydrophobicContact CE1-CG2 4.37Å; V107-F215 HydrophobicContact CG2-CD2 4.49Å; V107-F215 HydrophobicContact CG2-CE2 4.31Å; V107-R248 PolarHBondContact O-NH1 3.4Å; V107-R248 PolarHBondContact O-NH2 3.23Å |
| 108 | P | 91.6 | Very high | 87.7 | Confident | 59 Ų | 59 | 49.1 Ų | 49.1 | 38% | 0.383 | 26% | 0.257 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 150.7 | 178.3 | -24.9 | 33.8 | 0 | 0 | 0 | 112.6 | V106 T113 | V106-P108 WeakPolarHBondContact O-CD 3.37Å; P108-T113 CarbonylContact C-O 3.55Å; P108-T113 VanDerWaalsContact CA-O 3.29Å; P108-T113 WeakPolarHBondContact CA-O 3.46Å |
| 109 | S | 92.8 | Very high | 85.2 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 163 | 165.9 | 69.5 | 0 | 0 | 0 | 0 | 110.2 | V111 G112 T113 D266 | S109-V111 PolarHBondContact O-N 3.5Å; S109-V111 VanDerWaalsContact O-N 3.16Å; S109-V111 WeakPolarHBondContact OG-CG2 3.35Å; S109-G112 WeakPolarHBondContact O-CA 3.37Å; S109-G112 PolarHBondContact O-N 3.36Å; S109-T113 PolarHBondContact N-O 3.47Å; S109-T113 WeakPolarHBondContact OG-CB 3.46Å; S109-T113 PolarHBondContact OG-N 3.34Å; S109-D266 VanDerWaalsContact CB-OD1 3.27Å; S109-D266 WeakPolarHBondContact CB-OD1 3.09Å; S109-D266 PolarHBondContact OG-OD1 2.98Å |
| 110 | P | 92.5 | Very high | 83.2 | Confident | 64 Ų | 64 | 53.1 Ų | 53.1 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.6 | 175.3 | -29.3 | 38.4 | 0 | 0 | 0 | 114.4 | G112 Y251 R258 | P110-G112 VanDerWaalsContact C-N 3.26Å; P110-G112 PolarHBondContact O-N 2.88Å; P110-Y251 VanDerWaalsContact CD-CZ 3.42Å; P110-Y251 VanDerWaalsContact CD-OH 3.23Å; P110-Y251 WeakPolarHBondContact CD-OH 3.42Å; P110-Y251 HydrophobicContact CG-CD1 4.35Å; P110-Y251 HydrophobicContact CG-CD2 4.42Å; P110-Y251 HydrophobicContact CG-CE1 3.86Å; P110-Y251 HydrophobicContact CG-CE2 3.95Å; P110-R258 WeakPolarHBondContact CB-O 3.42Å |
| 111 | V | 90.4 | Very high | 81.4 | Confident | 67 Ų | 67 | 53.2 Ų | 53.2 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 2.7 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 113.5 | S109 I262 D266 | S109-V111 PolarHBondContact O-N 3.5Å; S109-V111 VanDerWaalsContact O-N 3.16Å; S109-V111 WeakPolarHBondContact OG-CG2 3.35Å; V111-I262 HydrophobicContact CG2-CG2 4.46Å; V111-D266 HydrophobicContact CG2-CB 4.43Å; V111-D266 WeakPolarHBondContact CG2-OD1 3.36Å |
| 112 | G | 90.5 | Very high | 80.4 | Confident | 50 Ų | 50 | 53.3 Ų | 53.3 | 52% | 0.515 | 28% | 0.281 | S | S | . | . | trans | 92.6 | 5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | S109 P110 S114 | S109-G112 WeakPolarHBondContact O-CA 3.37Å; S109-G112 PolarHBondContact O-N 3.36Å; P110-G112 VanDerWaalsContact C-N 3.26Å; P110-G112 PolarHBondContact O-N 2.88Å; G112-S114 PolarHBondContact O-N 3.49Å | ||
| 113 | T | 91.2 | Very high | 80.1 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | trans | -68.9 | 129.3 | 177.2 | -50 | 0 | 0 | 0 | 0 | 110.1 | P108 S109 D265 D266 | P108-T113 CarbonylContact C-O 3.55Å; P108-T113 VanDerWaalsContact CA-O 3.29Å; P108-T113 WeakPolarHBondContact CA-O 3.46Å; S109-T113 PolarHBondContact N-O 3.47Å; S109-T113 WeakPolarHBondContact OG-CB 3.46Å; S109-T113 PolarHBondContact OG-N 3.34Å; T113-D265 WeakPolarHBondContact CG2-O 3.33Å; T113-D266 WeakPolarHBondContact CB-OD1 3.06Å; T113-D266 PolarHBondContact OG1-OD1 2.99Å | ||
| 114 | S | 88.8 | Confident | 79.9 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 20% | 0.203 | 28% | 0.28 | C | S | . | . | trans | -150.4 | 144.7 | 174 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | V106 G112 I117 | V106-S114 PolarHBondContact O-OG 3Å; G112-S114 PolarHBondContact O-N 3.49Å; S114-I117 VanDerWaalsContact CB-CD1 3.46Å | ||
| 115 | W | 83.3 | Confident | 79.8 | Confident | 28 Ų | 28 | 53 Ų | 53 | 11% | 0.106 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -105.5 | 140.8 | 173.3 | 54.9 | 97.8 | 0 | 0 | 0 | 109.5 | V106 N129 V130 D265 | V106-W115 HydrophobicContact CB-CD2 4.48Å; V106-W115 HydrophobicContact CB-CZ2 4.45Å; V106-W115 HydrophobicContact CG1-CD2 3.81Å; V106-W115 HydrophobicContact CG1-CE3 3.9Å; V106-W115 HydrophobicContact CG1-CH2 3.72Å; V106-W115 HydrophobicContact CG1-CZ2 3.62Å; V106-W115 HydrophobicContact CG1-CZ3 3.85Å; V106-W115 HydrophobicContact CG2-CD2 4.06Å; V106-W115 VanDerWaalsContact CG2-CE2 3.48Å; V106-W115 HydrophobicContact CG2-CG 4.18Å; V106-W115 HydrophobicContact CG2-CZ2 3.92Å; V106-W115 VanDerWaalsContact CG2-NE1 3.26Å; W115-N129 HydrophobicContact CB-CB 3.9Å; W115-N129 VanDerWaalsContact CD1-ND2 3.32Å; W115-N129 HydrophobicContact CD2-CB 3.97Å; W115-N129 HydrophobicContact CG-CB 3.51Å; W115-V130 HydrophobicContact CD2-CG1 4.16Å; W115-V130 HydrophobicContact CD2-CG2 4.43Å; W115-V130 HydrophobicContact CE3-CG1 3.55Å; W115-V130 HydrophobicContact CE3-CG2 4.13Å; W115-V130 HydrophobicContact CH2-CG1 4.46Å; W115-V130 HydrophobicContact CH2-CG2 3.58Å; W115-V130 HydrophobicContact CZ2-CG2 3.91Å; W115-V130 HydrophobicContact CZ3-CB 4.34Å; W115-V130 HydrophobicContact CZ3-CG1 3.73Å; W115-V130 HydrophobicContact CZ3-CG2 3.7Å; W115-D265 HydrophobicContact CH2-CB 4.45Å; W115-D265 WeakPolarHBondContact CH2-OD2 3.25Å; W115-D265 HydrophobicContact CZ3-CB 4.05Å |
| 116 | G | 65.4 | Low | 80 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 13% | 0.134 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 92.7 | 17 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R120 N213 | G116-R120 CarbonylContact C-O 3.52Å; G116-R120 VanDerWaalsContact C-O 3.31Å; G116-R120 WeakPolarHBondContact CA-O 3.35Å; G116-N213 PolarHBondContact O-ND2 3.16Å |
| 117 | I | 50.4 | Low | 80.3 | Confident | 85 Ų | 85 | 51 Ų | 51 | 44% | 0.436 | 28% | 0.278 | S | S | . | . | trans | -92 | 147 | 172.5 | -58.6 | -172.2 | 0 | 0 | 0 | 111.4 | S114 | S114-I117 VanDerWaalsContact CB-CD1 3.46Š| ||
| 118 | R | 49.3 | Very low | 80.6 | Confident | 211 Ų | 211 | 48 Ų | 48 | 80% | 0.796 | 26% | 0.261 | S | S | * | . | S | Bend | trans | 64.8 | 66.9 | -175.3 | -59.8 | -168.1 | 180 | -157.5 | -0.8 | 116.8 | R120 | R118-R120 PolarHBondContact O-N 3.06Š|
| 119 | N | 46.5 | Very low | 80.8 | Confident | 130 Ų | 130 | 45.6 Ų | 45.6 | 70% | 0.695 | 24% | 0.244 | S | C | * | . | S | Bend | trans | 60 | -3.4 | 177.8 | -66.8 | -6.8 | 0 | 0 | 0 | 116 | R201 | N119-R201 PolarHBondContact O-NH1 3.47Å; N119-R201 PolarHBondContact O-NH2 3.04Å |
| 120 | R | 55.7 | Low | 80.9 | Confident | 153 Ų | 153 | 45.2 Ų | 45.2 | 58% | 0.577 | 24% | 0.242 | S | C | * | . | trans | -78.3 | 142.2 | 166.3 | -62.7 | -171.1 | -71.3 | -179.7 | -2.6 | 109.9 | G116 R118 | G116-R120 CarbonylContact C-O 3.52Å; G116-R120 VanDerWaalsContact C-O 3.31Å; G116-R120 WeakPolarHBondContact CA-O 3.35Å; R118-R120 PolarHBondContact O-N 3.06Å | ||
| 121 | S | 61 | Low | 81 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -83.3 | 139.6 | 173.3 | 22 | 0 | 0 | 0 | 0 | 107.2 | N197 R201 | S121-N197 WeakPolarHBondContact O-CB 3.43Å; S121-N197 PolarHBondContact O-ND2 2.81Å; S121-N197 PolarHBondContact OG-O 3.07Å; S121-R201 VanDerWaalsContact CB-NH2 3.32Å; S121-R201 PolarHBondContact OG-NE 3.45Å; S121-R201 PolarHBondContact OG-NH2 2.75Å | ||
| 122 | G | 79.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -84.8 | 7.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G124 N129 | G122-G124 PolarHBondContact O-N 2.84Å; G122-N129 PolarHBondContact O-ND2 3.41Å | ||
| 123 | L | 90.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 137.6 | -176.8 | -73.7 | 178.8 | 0 | 0 | 0 | 111.7 | L87 D104 N197 H200 R201 L204 Y211 | L87-L123 HydrophobicContact CD2-CD2 4.05Å; D104-L123 HydrophobicContact CB-CD2 4.12Å; L123-N197 PolarHBondContact O-OD1 3.16Å; L123-H200 HydrophobicContact CB-CB 4Å; L123-H200 HydrophobicContact CD1-CB 4.37Å; L123-R201 HydrophobicContact CD1-CB 4.22Å; L123-L204 HydrophobicContact CD1-CD1 3.78Å; L123-L204 HydrophobicContact CD2-CD1 4.45Å; L123-Y211 HydrophobicContact CD1-CD1 4.39Å; L123-Y211 HydrophobicContact CD1-CD2 4.09Å; L123-Y211 HydrophobicContact CD1-CE1 4.35Å; L123-Y211 HydrophobicContact CD1-CE2 4.05Å; L123-Y211 HydrophobicContact CD1-CG 4.25Å; L123-Y211 HydrophobicContact CD2-CD2 3.73Å; L123-Y211 HydrophobicContact CD2-CE2 3.29Å; L123-Y211 HydrophobicContact CG-CD2 4.21Å; L123-Y211 HydrophobicContact CG-CE1 4.46Å; L123-Y211 HydrophobicContact CG-CE2 3.7Å |
| 124 | G | 91.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | 117.2 | -20.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G82 G122 | G82-G124 WeakPolarHBondContact O-CA 3.38Å; G82-G124 PolarHBondContact O-N 3.22Å; G122-G124 PolarHBondContact O-N 2.84Å |
| 125 | G | 94 | Very high | 82.3 | Confident | 9 Ų | 9 | 39.4 Ų | 39.4 | 9% | 0.093 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | 65.7 | -158.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | C127 V128 N129 | G125-C127 VanDerWaalsContact C-N 3.34Å; G125-C127 PolarHBondContact O-N 3.24Å; G125-V128 PolarHBondContact O-N 3.26Å; G125-N129 PolarHBondContact N-ND2 2.97Å; G125-N129 PolarHBondContact O-N 3.33Å; G125-N129 VanDerWaalsContact O-N 3.11Å; G125-N129 PolarHBondContact O-ND2 3.03Å |
| 126 | T | 94.9 | Very high | 83 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 22% | 0.221 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.3 | -46.5 | -177.3 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | V128 N129 V130 G131 | T126-V128 PolarHBondContact O-N 3.02Å; T126-N129 PolarHBondContact O-N 3.01Å; T126-V130 HydrophobicContact CG2-CG2 4.09Å; T126-V130 CarbonylContact O-C 3.58Å; T126-V130 VanDerWaalsContact O-C 3.24Å; T126-V130 PolarHBondContact O-N 3.16Å; T126-G131 VanDerWaalsContact O-CA 3.3Å; T126-G131 WeakPolarHBondContact O-CA 3.49Å; T126-G131 PolarHBondContact O-N 3.21Å |
| 127 | C | 96.2 | Very high | 84.6 | Confident | 20 Ų | 20 | 45 Ų | 45 | 14% | 0.135 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -52.5 | -50.1 | -177.9 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | G125 G131 C132 I133 T459 | G125-C127 VanDerWaalsContact C-N 3.34Å; G125-C127 PolarHBondContact O-N 3.24Å; C127-G131 CarbonylContact O-C 3.56Å; C127-C132 HydrophobicContact CB-CB 4.49Å; C127-C132 PolarHBondContact O-N 2.6Å; C127-C132 VanDerWaalsContact SG-CB 3.51Å; C127-C132 VanDerWaalsContact SG-SG 3.61Å; C127-I133 PolarHBondContact O-N 2.83Å; C127-T459 HydrophobicContact CB-CG2 3.98Å; C127-T459 WeakPolarHBondContact CB-OG1 3.48Å; C127-T459 WeakPolarHBondContact SG-CG2 3.25Å; C127-T459 PolarHBondContact SG-OG1 3.04Å; C127-T459 VanDerWaalsContact SG-OG1 3.33Å |
| 128 | V | 96.1 | Very high | 86.9 | Confident | 8 Ų | 8 | 41 Ų | 41 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -77.9 | -43.9 | -175.6 | 175.5 | 0 | 0 | 0 | 0 | 111.6 | G125 T126 I133 P134 I193 L196 N197 | G125-V128 PolarHBondContact O-N 3.26Å; T126-V128 PolarHBondContact O-N 3.02Å; V128-I133 HydrophobicContact CG2-CG1 4.49Å; V128-P134 WeakPolarHBondContact O-CD 3.38Å; V128-I193 HydrophobicContact CG1-CG2 4.34Å; V128-I193 WeakPolarHBondContact O-CG1 3.25Å; V128-L196 HydrophobicContact CG1-CB 3.98Å; V128-L196 HydrophobicContact CG1-CD1 3.99Å; V128-N197 WeakPolarHBondContact CG1-OD1 3.27Å |
| 129 | N | 95.4 | Very high | 89.2 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 4% | 0.037 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -91.2 | -37.1 | -166.8 | -62.9 | -84.5 | 0 | 0 | 0 | 113.5 | W115 G122 G125 T126 N197 | W115-N129 HydrophobicContact CB-CB 3.9Å; W115-N129 VanDerWaalsContact CD1-ND2 3.32Å; W115-N129 HydrophobicContact CD2-CB 3.97Å; W115-N129 HydrophobicContact CG-CB 3.51Å; G122-N129 PolarHBondContact O-ND2 3.41Å; G125-N129 PolarHBondContact N-ND2 2.97Å; G125-N129 PolarHBondContact O-N 3.33Å; G125-N129 VanDerWaalsContact O-N 3.11Å; G125-N129 PolarHBondContact O-ND2 3.03Å; T126-N129 PolarHBondContact O-N 3.01Å; N129-N197 PolarHBondContact OD1-ND2 2.96Å; N129-N197 PolarHBondContact OD1-OD1 2.69Å |
| 130 | V | 95.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 31.1 Ų | 31.1 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -148.2 | 31.5 | -166.5 | -65.1 | 0 | 0 | 0 | 0 | 113.2 | W115 T126 D265 F268 | W115-V130 HydrophobicContact CD2-CG1 4.16Å; W115-V130 HydrophobicContact CD2-CG2 4.43Å; W115-V130 HydrophobicContact CE3-CG1 3.55Å; W115-V130 HydrophobicContact CE3-CG2 4.13Å; W115-V130 HydrophobicContact CH2-CG1 4.46Å; W115-V130 HydrophobicContact CH2-CG2 3.58Å; W115-V130 HydrophobicContact CZ2-CG2 3.91Å; W115-V130 HydrophobicContact CZ3-CB 4.34Å; W115-V130 HydrophobicContact CZ3-CG1 3.73Å; W115-V130 HydrophobicContact CZ3-CG2 3.7Å; T126-V130 HydrophobicContact CG2-CG2 4.09Å; T126-V130 CarbonylContact O-C 3.58Å; T126-V130 VanDerWaalsContact O-C 3.24Å; T126-V130 PolarHBondContact O-N 3.16Å; V130-D265 WeakPolarHBondContact CG1-O 3.44Å; V130-F268 VanDerWaalsContact C-CD2 3.42Å; V130-F268 HydrophobicContact CB-CD2 4.3Å; V130-F268 WeakPolarHBondContact O-CD2 3.44Å; V130-F268 VanDerWaalsContact O-CE2 3.25Å; V130-F268 WeakPolarHBondContact O-CE2 3.37Å |
| 131 | G | 95 | Very high | 93.5 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -152.7 | -125.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T126 C127 I133 P134 K135 | T126-G131 VanDerWaalsContact O-CA 3.3Å; T126-G131 WeakPolarHBondContact O-CA 3.49Å; T126-G131 PolarHBondContact O-N 3.21Å; C127-G131 CarbonylContact O-C 3.56Å; G131-I133 PolarHBondContact O-N 2.6Å; G131-P134 WeakPolarHBondContact O-CD 3.27Å; G131-P134 WeakPolarHBondContact O-CG 3.42Å; G131-K135 WeakPolarHBondContact O-CB 3.43Å; G131-K135 PolarHBondContact O-N 3.04Å |
| 132 | C | 96.1 | Very high | 95.2 | Very high | 43 Ų | 43 | 25.5 Ų | 25.5 | 29% | 0.291 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -49.3 | -47.6 | -170.2 | -50.6 | 0 | 0 | 0 | 0 | 114.6 | C127 K136 | C127-C132 HydrophobicContact CB-CB 4.49Å; C127-C132 PolarHBondContact O-N 2.6Å; C127-C132 VanDerWaalsContact SG-CB 3.51Å; C127-C132 VanDerWaalsContact SG-SG 3.61Å; C132-K136 WeakPolarHBondContact O-CB 3.29Å; C132-K136 WeakPolarHBondContact O-CG 3.33Å; C132-K136 PolarHBondContact O-N 3Å |
| 133 | I | 97.4 | Very high | 95.9 | Very high | 48 Ų | 48 | 27.3 Ų | 27.3 | 25% | 0.246 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.1 | -63.2 | -174.9 | -59.8 | -59.7 | 0 | 0 | 0 | 111.9 | C127 V128 G131 K135 K136 L137 I193 L196 | C127-I133 PolarHBondContact O-N 2.83Å; V128-I133 HydrophobicContact CG2-CG1 4.49Å; G131-I133 PolarHBondContact O-N 2.6Å; I133-K135 VanDerWaalsContact C-N 3.31Å; I133-K135 PolarHBondContact O-N 2.78Å; I133-K136 PolarHBondContact O-N 2.78Å; I133-L137 HydrophobicContact CG2-CD1 4.02Å; I133-L137 WeakPolarHBondContact O-CG 3.27Å; I133-L137 PolarHBondContact O-N 2.79Å; I133-L137 VanDerWaalsContact O-N 3.09Å; I133-I193 HydrophobicContact CG2-CG1 4.35Å; I133-L196 HydrophobicContact CG1-CD1 4.32Å; I133-L196 HydrophobicContact CG2-CD1 4.06Å |
| 134 | P | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.8 | -41.3 | -180 | 21.3 | -32.2 | 0 | 0 | 0 | 112.1 | V128 G131 K136 L137 M138 I189 I193 F268 | V128-P134 WeakPolarHBondContact O-CD 3.38Å; G131-P134 WeakPolarHBondContact O-CD 3.27Å; G131-P134 WeakPolarHBondContact O-CG 3.42Å; P134-K136 PolarHBondContact O-N 2.89Å; P134-L137 PolarHBondContact O-N 2.97Å; P134-M138 WeakPolarHBondContact O-CG 3.39Å; P134-M138 PolarHBondContact O-N 2.83Å; P134-I189 HydrophobicContact CB-CG2 3.8Å; P134-I193 HydrophobicContact CB-CD1 4.01Å; P134-I193 HydrophobicContact CG-CD1 4.11Å; P134-F268 HydrophobicContact CB-CB 3.65Å; P134-F268 HydrophobicContact CB-CD1 3.87Å; P134-F268 HydrophobicContact CB-CD2 4.35Å; P134-F268 HydrophobicContact CB-CG 3.69Å; P134-F268 HydrophobicContact CG-CB 3.89Å; P134-F268 HydrophobicContact CG-CD1 4.24Å; P134-F268 HydrophobicContact CG-CD2 3.88Å; P134-F268 HydrophobicContact CG-CG 3.73Å |
| 135 | K | 97.5 | Very high | 96 | Very high | 14 Ų | 14 | 31.7 Ų | 31.7 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.9 | -48.1 | 178.6 | -177.7 | -156.9 | 71.9 | 81.7 | 0 | 112.4 | G131 I133 L137 M138 H139 F268 E288 F491 | G131-K135 WeakPolarHBondContact O-CB 3.43Å; G131-K135 PolarHBondContact O-N 3.04Å; I133-K135 VanDerWaalsContact C-N 3.31Å; I133-K135 PolarHBondContact O-N 2.78Å; K135-L137 VanDerWaalsContact C-N 3.34Å; K135-M138 PolarHBondContact O-N 2.94Å; K135-H139 WeakPolarHBondContact O-CB 3.49Å; K135-H139 PolarHBondContact O-N 2.86Å; K135-F268 HydrophobicContact CB-CE1 3.77Å; K135-F268 HydrophobicContact CB-CZ 3.65Å; K135-F268 HydrophobicContact CG-CE1 4.33Å; K135-F268 HydrophobicContact CG-CZ 4.15Å; K135-E288 HydrophobicContact CD-CB 3.98Å; K135-E288 HydrophobicContact CD-CG 4.41Å; K135-E288 WeakPolarHBondContact CD-OE2 3.38Å; K135-E288 WeakPolarHBondContact CE-OE2 3.22Å; K135-E288 HydrophobicContact CG-CB 4.42Å; K135-E288 IonicContact NZ-OE1 2.6Å; K135-E288 PolarHBondContact NZ-OE1 2.83Å; K135-E288 IonicContact NZ-OE2 3.95Å; K135-E288 PolarHBondContact NZ-OE2 3.28Å; K135-F491 VanDerWaalsContact NZ-CB 3.31Å |
| 136 | K | 97.6 | Very high | 95.8 | Very high | 96 Ų | 96 | 32.4 Ų | 32.4 | 42% | 0.417 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.3 | -35.8 | 180 | -74.6 | 178.7 | -178.9 | -161.8 | 0 | 111.8 | C132 I133 P134 H139 R140 F491 | C132-K136 WeakPolarHBondContact O-CB 3.29Å; C132-K136 WeakPolarHBondContact O-CG 3.33Å; C132-K136 PolarHBondContact O-N 3Å; I133-K136 PolarHBondContact O-N 2.78Å; P134-K136 PolarHBondContact O-N 2.89Å; K136-H139 PolarHBondContact O-N 3.21Å; K136-R140 PolarHBondContact O-N 3.13Å; K136-F491 HydrophobicContact CD-CE2 4.45Å; K136-F491 HydrophobicContact CD-CZ 4.26Å; K136-F491 VanDerWaalsContact CE-CE2 3.42Å; K136-F491 VanDerWaalsContact CE-CZ 3.45Å |
| 137 | L | 98.5 | Very high | 95.6 | Very high | 64 Ų | 64 | 33.4 Ų | 33.4 | 34% | 0.335 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.9 | -39.9 | 174.8 | -67.3 | 172.3 | 0 | 0 | 0 | 111.6 | I133 P134 K135 R140 T141 I189 | I133-L137 HydrophobicContact CG2-CD1 4.02Å; I133-L137 WeakPolarHBondContact O-CG 3.27Å; I133-L137 PolarHBondContact O-N 2.79Å; I133-L137 VanDerWaalsContact O-N 3.09Å; P134-L137 PolarHBondContact O-N 2.97Å; K135-L137 VanDerWaalsContact C-N 3.34Å; L137-R140 WeakPolarHBondContact O-CB 3.07Å; L137-R140 PolarHBondContact O-N 3.08Å; L137-T141 PolarHBondContact O-N 2.94Å; L137-T141 PolarHBondContact O-OG1 2.97Å; L137-I189 HydrophobicContact CB-CD1 3.74Å; L137-I189 HydrophobicContact CB-CG1 3.93Å; L137-I189 HydrophobicContact CD1-CG1 4.12Å; L137-I189 HydrophobicContact CD1-CG2 4.16Å |
| 138 | M | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.4 | -37.4 | 174.1 | -67.2 | -170.4 | 179.6 | 0 | 0 | 112.7 | P134 K135 R140 T141 A142 W182 M185 T186 I189 F268 F292 | P134-M138 WeakPolarHBondContact O-CG 3.39Å; P134-M138 PolarHBondContact O-N 2.83Å; K135-M138 PolarHBondContact O-N 2.94Å; M138-R140 VanDerWaalsContact C-N 3.3Å; M138-R140 PolarHBondContact O-N 3.24Å; M138-T141 WeakPolarHBondContact O-CB 3.49Å; M138-T141 PolarHBondContact O-N 3.38Å; M138-T141 VanDerWaalsContact O-N 3.15Å; M138-A142 PolarHBondContact O-N 3.1Å; M138-W182 HydrophobicContact CE-CH2 4.43Å; M138-W182 HydrophobicContact SD-CH2 4.32Å; M138-M185 HydrophobicContact CB-SD 4.33Å; M138-M185 HydrophobicContact CE-CE 4.02Å; M138-M185 HydrophobicContact CG-CE 3.96Å; M138-M185 HydrophobicContact CG-SD 3.85Å; M138-M185 HydrophobicContact SD-CE 4.01Å; M138-T186 HydrophobicContact CE-CG2 3.88Å; M138-I189 HydrophobicContact CE-CD1 4.17Å; M138-I189 HydrophobicContact CG-CD1 3.61Å; M138-F268 HydrophobicContact CE-CB 4.34Å; M138-F268 HydrophobicContact CE-CD1 4.08Å; M138-F268 HydrophobicContact SD-CD1 3.68Å; M138-F268 HydrophobicContact SD-CE1 4.25Å; M138-F292 HydrophobicContact CB-CB 4.48Å; M138-F292 HydrophobicContact CB-CD1 4.2Å; M138-F292 HydrophobicContact CB-CD2 3.67Å; M138-F292 HydrophobicContact CB-CE1 4.35Å; M138-F292 HydrophobicContact CB-CE2 3.87Å; M138-F292 HydrophobicContact CB-CG 3.88Å; M138-F292 HydrophobicContact CB-CZ 4.21Å; M138-F292 HydrophobicContact CG-CE2 4.28Å; M138-F292 HydrophobicContact SD-CD2 4.27Å; M138-F292 HydrophobicContact SD-CE1 4.31Å; M138-F292 HydrophobicContact SD-CE2 3.49Å; M138-F292 WeakPolarHBondContact SD-CE2 3.13Å; M138-F292 HydrophobicContact SD-CZ 3.52Å; M138-F292 VanDerWaalsContact SD-CZ 3.52Å |
| 139 | H | 97.8 | Very high | 95 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | 169 | 176.4 | 65.8 | 0 | 0 | 0 | 111.4 | K135 K136 T141 A142 I143 F491 T492 E495 | K135-H139 WeakPolarHBondContact O-CB 3.49Å; K135-H139 PolarHBondContact O-N 2.86Å; K136-H139 PolarHBondContact O-N 3.21Å; H139-T141 VanDerWaalsContact C-N 3.32Å; H139-T141 PolarHBondContact O-N 2.76Å; H139-A142 WeakPolarHBondContact O-CB 3.35Å; H139-A142 PolarHBondContact O-N 2.99Å; H139-A142 VanDerWaalsContact O-N 3.16Å; H139-I143 WeakPolarHBondContact NE2-CD1 3.18Å; H139-I143 PolarHBondContact O-N 3.43Å; H139-F491 AromaticContact CD2-CD1 3.87Å; H139-T492 PolarHBondContact CE1-O 2.88Å; H139-T492 VanDerWaalsContact CE1-O 3.29Å; H139-E495 IonicContact CD2-OE1 3.7Å; H139-E495 IonicContact CE1-OE1 3.88Å; H139-E495 IonicContact NE2-OE1 2.77Å; H139-E495 PolarHBondContact NE2-OE1 2.76Å |
| 140 | R | 97.6 | Very high | 94.8 | Very high | 126 Ų | 126 | 39.1 Ų | 39.1 | 48% | 0.475 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.1 | -38.8 | 173.2 | -176.9 | 58.5 | 178.8 | -176.6 | 2.9 | 112 | K136 L137 M138 A142 I143 L144 | K136-R140 PolarHBondContact O-N 3.13Å; L137-R140 WeakPolarHBondContact O-CB 3.07Å; L137-R140 PolarHBondContact O-N 3.08Å; M138-R140 VanDerWaalsContact C-N 3.3Å; M138-R140 PolarHBondContact O-N 3.24Å; R140-A142 VanDerWaalsContact C-N 3.32Å; R140-A142 PolarHBondContact O-N 3.41Å; R140-I143 PolarHBondContact O-N 2.85Å; R140-L144 WeakPolarHBondContact O-CG 3.45Å; R140-L144 PolarHBondContact O-N 3.48Å |
| 141 | T | 96.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 39.9 Ų | 39.9 | 20% | 0.202 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.2 | -42.7 | 173.2 | -54 | 0 | 0 | 0 | 0 | 112 | L137 M138 H139 L144 G145 M185 I296 | L137-T141 PolarHBondContact O-N 2.94Å; L137-T141 PolarHBondContact O-OG1 2.97Å; M138-T141 WeakPolarHBondContact O-CB 3.49Å; M138-T141 PolarHBondContact O-N 3.38Å; M138-T141 VanDerWaalsContact O-N 3.15Å; H139-T141 VanDerWaalsContact C-N 3.32Å; H139-T141 PolarHBondContact O-N 2.76Å; T141-L144 PolarHBondContact O-N 3.23Å; T141-G145 PolarHBondContact O-N 3.22Å; T141-G145 VanDerWaalsContact O-N 3.17Å; T141-M185 HydrophobicContact CG2-SD 3.69Å; T141-M185 PolarHBondContact OG1-SD 3.23Å; T141-M185 VanDerWaalsContact OG1-SD 3.35Å; T141-I296 HydrophobicContact CG2-CG2 4.02Å |
| 142 | A | 95 | Very high | 94.5 | Very high | 5 Ų | 5 | 42.1 Ų | 42.1 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M138 H139 R140 L144 G145 H146 F292 | M138-A142 PolarHBondContact O-N 3.1Å; H139-A142 WeakPolarHBondContact O-CB 3.35Å; H139-A142 PolarHBondContact O-N 2.99Å; H139-A142 VanDerWaalsContact O-N 3.16Å; R140-A142 VanDerWaalsContact C-N 3.32Å; R140-A142 PolarHBondContact O-N 3.41Å; A142-L144 VanDerWaalsContact C-N 3.29Å; A142-L144 PolarHBondContact O-N 3.12Å; A142-G145 PolarHBondContact O-N 2.84Å; A142-H146 PolarHBondContact O-CD2 2.65Å; A142-H146 VanDerWaalsContact O-CD2 3.26Å; A142-H146 PolarHBondContact O-N 2.84Å; A142-F292 HydrophobicContact CB-CB 4.19Å |
| 143 | I | 94.3 | Very high | 94.4 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 20% | 0.2 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -38.1 | 174.2 | -67.5 | 168.4 | 0 | 0 | 0 | 111.3 | H139 R140 G145 H146 C147 | H139-I143 WeakPolarHBondContact NE2-CD1 3.18Å; H139-I143 PolarHBondContact O-N 3.43Å; R140-I143 PolarHBondContact O-N 2.85Å; I143-G145 PolarHBondContact O-N 2.97Å; I143-H146 CarbonylContact O-C 3.32Å; I143-H146 WeakPolarHBondContact O-CA 3.18Å; I143-H146 WeakPolarHBondContact O-CB 3.1Å; I143-H146 PolarHBondContact O-N 2.76Å; I143-C147 PolarHBondContact O-N 3.07Å; I143-C147 PolarHBondContact O-SG 3.4Å |
| 144 | L | 93.9 | Very high | 94.3 | Very high | 83 Ų | 83 | 49.1 Ų | 49.1 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -39.6 | 177.9 | -73.6 | 172.1 | 0 | 0 | 0 | 112.3 | R140 T141 A142 H146 C147 I148 | R140-L144 WeakPolarHBondContact O-CG 3.45Å; R140-L144 PolarHBondContact O-N 3.48Å; T141-L144 PolarHBondContact O-N 3.23Å; A142-L144 VanDerWaalsContact C-N 3.29Å; A142-L144 PolarHBondContact O-N 3.12Å; L144-H146 PolarHBondContact O-N 2.85Å; L144-C147 PolarHBondContact O-N 2.91Å; L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.32Å; L144-I148 PolarHBondContact O-N 2.85Å |
| 145 | G | 90.5 | Very high | 94.2 | Very high | 10 Ų | 10 | 51.5 Ų | 51.5 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T141 A142 I143 I148 E149 F175 | T141-G145 PolarHBondContact O-N 3.22Å; T141-G145 VanDerWaalsContact O-N 3.17Å; A142-G145 PolarHBondContact O-N 2.84Å; I143-G145 PolarHBondContact O-N 2.97Å; G145-I148 PolarHBondContact O-N 2.93Å; G145-E149 PolarHBondContact O-N 2.78Å; G145-F175 VanDerWaalsContact CA-CE2 3.49Å; G145-F175 WeakPolarHBondContact O-CD1 3.44Å; G145-F175 VanDerWaalsContact O-CE1 3.27Å; G145-F175 WeakPolarHBondContact O-CE1 3.33Å |
| 146 | H | 89.6 | Confident | 94 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 11% | 0.111 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.7 | -49.1 | 171.9 | -86.8 | -47.7 | 0 | 0 | 0 | 112.6 | A142 I143 L144 I148 E149 D150 R174 F175 R550 | A142-H146 PolarHBondContact O-CD2 2.65Å; A142-H146 VanDerWaalsContact O-CD2 3.26Å; A142-H146 PolarHBondContact O-N 2.84Å; I143-H146 CarbonylContact O-C 3.32Å; I143-H146 WeakPolarHBondContact O-CA 3.18Å; I143-H146 WeakPolarHBondContact O-CB 3.1Å; I143-H146 PolarHBondContact O-N 2.76Å; L144-H146 PolarHBondContact O-N 2.85Å; H146-I148 VanDerWaalsContact C-N 3.31Å; H146-I148 PolarHBondContact O-N 2.85Å; H146-E149 PolarHBondContact O-N 3.49Å; H146-D150 VanDerWaalsContact O-CG 3.31Å; H146-D150 PolarHBondContact O-N 3.31Å; H146-D150 VanDerWaalsContact O-N 3.09Å; H146-R174 PolarHBondContact CE1-NH2 3.39Å; H146-F175 AromaticContact ND1-CE1 3.87Å; H146-F175 AromaticContact ND1-CZ 3.96Å; H146-R550 VanDerWaalsContact CA-NH2 3.27Å; H146-R550 PolarHBondContact ND1-NH2 3.02Å; H146-R550 PolarHBondContact O-NH2 3.39Å |
| 147 | C | 92.4 | Very high | 93.7 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -34.9 | 177.7 | -64.3 | 0 | 0 | 0 | 0 | 112.9 | I143 L144 E149 D150 A151 | I143-C147 PolarHBondContact O-N 3.07Å; I143-C147 PolarHBondContact O-SG 3.4Å; L144-C147 PolarHBondContact O-N 2.91Å; C147-E149 VanDerWaalsContact C-N 3.29Å; C147-E149 PolarHBondContact O-N 2.96Å; C147-D150 PolarHBondContact O-N 3.05Å; C147-A151 WeakPolarHBondContact O-CB 3.46Å; C147-A151 PolarHBondContact O-N 3.23Å |
| 148 | I | 91.1 | Very high | 93 | Very high | 64 Ų | 64 | 63 Ų | 63 | 33% | 0.328 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.4 | -37 | 177 | -70.1 | 164.4 | 0 | 0 | 0 | 111.1 | L144 G145 H146 V158 A178 | L144-I148 VanDerWaalsContact O-CG1 3.31Å; L144-I148 WeakPolarHBondContact O-CG1 3.32Å; L144-I148 PolarHBondContact O-N 2.85Å; G145-I148 PolarHBondContact O-N 2.93Å; H146-I148 VanDerWaalsContact C-N 3.31Å; H146-I148 PolarHBondContact O-N 2.85Å; I148-V158 HydrophobicContact CG2-CG1 3.96Å; I148-A178 HydrophobicContact CD1-CB 4.29Å; I148-A178 HydrophobicContact CG2-CB 4.37Å |
| 149 | E | 87.5 | Confident | 92 | Very high | 64 Ų | 64 | 70.2 Ų | 70.2 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.4 | -44.8 | 175.8 | -164.2 | 61.6 | -135.8 | 0 | 0 | 111.3 | G145 H146 C147 A151 K152 F175 S177 | G145-E149 PolarHBondContact O-N 2.78Å; H146-E149 PolarHBondContact O-N 3.49Å; C147-E149 VanDerWaalsContact C-N 3.29Å; C147-E149 PolarHBondContact O-N 2.96Å; E149-A151 PolarHBondContact O-N 3.36Å; E149-K152 VanDerWaalsContact CD-NZ 3.32Å; E149-K152 PolarHBondContact O-N 3.33Å; E149-K152 IonicContact OE1-NZ 3.34Å; E149-K152 PolarHBondContact OE1-NZ 3.06Å; E149-K152 IonicContact OE2-NZ 3.53Å; E149-K152 PolarHBondContact OE2-NZ 3.02Å; E149-F175 HydrophobicContact CB-CD1 4.01Å; E149-F175 HydrophobicContact CB-CE1 4.4Å; E149-S177 PolarHBondContact OE2-OG 2.94Å |
| 150 | D | 91.9 | Very high | 90.5 | Very high | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.144 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -60.7 | -35.7 | 177.7 | -61.1 | -17.4 | 0 | 0 | 0 | 111.9 | H146 C147 K152 Q153 F154 P548 R550 | H146-D150 VanDerWaalsContact O-CG 3.31Å; H146-D150 PolarHBondContact O-N 3.31Å; H146-D150 VanDerWaalsContact O-N 3.09Å; C147-D150 PolarHBondContact O-N 3.05Å; D150-K152 PolarHBondContact O-N 3.02Å; D150-Q153 PolarHBondContact O-N 3.49Å; D150-F154 WeakPolarHBondContact O-CD2 3.43Å; D150-F154 PolarHBondContact O-N 3.01Å; D150-P548 HydrophobicContact CB-CB 3.87Å; D150-P548 HydrophobicContact CB-CG 4.29Å; D150-R550 VanDerWaalsContact CG-NE 3.29Å; D150-R550 IonicContact OD1-CZ 3.61Å; D150-R550 IonicContact OD1-NE 2.8Å; D150-R550 PolarHBondContact OD1-NE 2.85Å; D150-R550 IonicContact OD1-NH2 2.83Å; D150-R550 PolarHBondContact OD1-NH2 3.49Å; D150-R550 IonicContact OD2-CZ 3.56Å; D150-R550 IonicContact OD2-NE 3.92Å; D150-R550 PolarHBondContact OD2-NE 3.49Å; D150-R550 IonicContact OD2-NH2 2.81Å; D150-R550 PolarHBondContact OD2-NH2 2.91Å |
| 151 | A | 93.5 | Very high | 88.9 | Confident | 19 Ų | 19 | 71 Ų | 71 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.5 | -31 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | C147 E149 Q153 F154 G155 W156 | C147-A151 WeakPolarHBondContact O-CB 3.46Å; C147-A151 PolarHBondContact O-N 3.23Å; E149-A151 PolarHBondContact O-N 3.36Å; A151-Q153 VanDerWaalsContact C-N 3.32Å; A151-Q153 PolarHBondContact O-N 3.36Å; A151-F154 CarbonylContact O-C 3.49Å; A151-F154 WeakPolarHBondContact O-CA 3.35Å; A151-F154 PolarHBondContact O-N 3.1Å; A151-F154 VanDerWaalsContact O-N 3.1Å; A151-G155 PolarHBondContact O-N 3.34Å; A151-W156 HydrophobicContact CB-CB 3.84Å; A151-W156 HydrophobicContact CB-CG 3.99Å; A151-W156 WeakPolarHBondContact O-CB 3.46Å; A151-W156 PolarHBondContact O-N 2.69Å |
| 152 | K | 91.3 | Very high | 86.9 | Confident | 61 Ų | 61 | 76.7 Ų | 76.7 | 27% | 0.265 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -41.2 | 176.1 | -63.4 | 176.2 | -173.3 | 162.6 | 0 | 112.3 | E149 D150 F154 G155 V158 S177 | E149-K152 VanDerWaalsContact CD-NZ 3.32Å; E149-K152 PolarHBondContact O-N 3.33Å; E149-K152 IonicContact OE1-NZ 3.34Å; E149-K152 PolarHBondContact OE1-NZ 3.06Å; E149-K152 IonicContact OE2-NZ 3.53Å; E149-K152 PolarHBondContact OE2-NZ 3.02Å; D150-K152 PolarHBondContact O-N 3.02Å; K152-F154 PolarHBondContact O-N 3.49Å; K152-G155 PolarHBondContact O-N 2.9Å; K152-G155 VanDerWaalsContact O-N 3.09Å; K152-V158 HydrophobicContact CG-CB 4.48Å; K152-V158 HydrophobicContact CG-CG2 4.49Å; K152-S177 WeakPolarHBondContact CE-OG 3.36Å; K152-S177 PolarHBondContact NZ-OG 3.37Å |
| 153 | Q | 93.1 | Very high | 84.6 | Confident | 129 Ų | 129 | 82 Ų | 82 | 60% | 0.603 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -20.3 | 178.8 | -62.2 | -67.6 | 2.3 | 0 | 0 | 112.1 | D150 A151 G155 V547 | D150-Q153 PolarHBondContact O-N 3.49Å; A151-Q153 VanDerWaalsContact C-N 3.32Å; A151-Q153 PolarHBondContact O-N 3.36Å; Q153-G155 VanDerWaalsContact C-N 3.32Å; Q153-V547 HydrophobicContact CB-CG1 4.36Å |
| 154 | F | 95.4 | Very high | 82.4 | Confident | 109 Ų | 109 | 84.7 Ų | 84.7 | 48% | 0.478 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 11.3 | 170.1 | -67.7 | -77.3 | 0 | 0 | 0 | 113.4 | D150 A151 K152 V547 P548 | D150-F154 WeakPolarHBondContact O-CD2 3.43Å; D150-F154 PolarHBondContact O-N 3.01Å; A151-F154 CarbonylContact O-C 3.49Å; A151-F154 WeakPolarHBondContact O-CA 3.35Å; A151-F154 PolarHBondContact O-N 3.1Å; A151-F154 VanDerWaalsContact O-N 3.1Å; K152-F154 PolarHBondContact O-N 3.49Å; F154-V547 HydrophobicContact CD1-CB 4.47Å; F154-V547 HydrophobicContact CD1-CG1 3.98Å; F154-V547 HydrophobicContact CE1-CB 3.68Å; F154-V547 HydrophobicContact CE1-CG1 3.69Å; F154-V547 HydrophobicContact CE1-CG2 3.9Å; F154-V547 HydrophobicContact CE2-CB 4.36Å; F154-V547 HydrophobicContact CE2-CG1 4.39Å; F154-V547 HydrophobicContact CG-CG1 4.46Å; F154-V547 HydrophobicContact CZ-CB 3.62Å; F154-V547 HydrophobicContact CZ-CG1 3.92Å; F154-V547 HydrophobicContact CZ-CG2 4.2Å; F154-P548 HydrophobicContact CE2-CG 4.24Å |
| 155 | G | 94.9 | Very high | 79.9 | Confident | 50 Ų | 50 | 87.1 Ų | 87.1 | 52% | 0.515 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88 | 2.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A151 K152 Q153 Q157 | A151-G155 PolarHBondContact O-N 3.34Å; K152-G155 PolarHBondContact O-N 2.9Å; K152-G155 VanDerWaalsContact O-N 3.09Å; Q153-G155 VanDerWaalsContact C-N 3.32Å; G155-Q157 PolarHBondContact O-N 2.85Å; G155-Q157 PolarHBondContact O-NE2 2.89Å |
| 156 | W | 94.2 | Very high | 77.5 | Confident | 184 Ų | 184 | 97.7 Ų | 97.7 | 70% | 0.697 | 47% | 0.474 | S | S | * | . | trans | -68.9 | 129.3 | 173.9 | -68.1 | 86.4 | 0 | 0 | 0 | 110.6 | A151 V158 | A151-W156 HydrophobicContact CB-CB 3.84Å; A151-W156 HydrophobicContact CB-CG 3.99Å; A151-W156 WeakPolarHBondContact O-CB 3.46Å; A151-W156 PolarHBondContact O-N 2.69Å; W156-V158 HydrophobicContact CB-CG2 4.3Å; W156-V158 PolarHBondContact O-N 2.8Å | ||
| 157 | Q | 90.1 | Very high | 74.9 | Confident | 183 Ų | 183 | 106.1 Ų | 106.1 | 86% | 0.855 | 51% | 0.51 | S | S | * | . | trans | -80.7 | 103.3 | 174.5 | -56.1 | -55.8 | -52.1 | 0 | 0 | 108.8 | G155 | G155-Q157 PolarHBondContact O-N 2.85Å; G155-Q157 PolarHBondContact O-NE2 2.89Å | ||
| 158 | V | 83.5 | Confident | 72.4 | Confident | 50 Ų | 50 | 107.9 Ų | 107.9 | 30% | 0.303 | 52% | 0.52 | S | S | . | . | trans | -113.7 | 119.7 | 176.8 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | I148 K152 W156 D160 S177 | I148-V158 HydrophobicContact CG2-CG1 3.96Å; K152-V158 HydrophobicContact CG-CB 4.48Å; K152-V158 HydrophobicContact CG-CG2 4.49Å; W156-V158 HydrophobicContact CB-CG2 4.3Å; W156-V158 PolarHBondContact O-N 2.8Å; V158-D160 PolarHBondContact O-N 3.06Å; V158-S177 VanDerWaalsContact CG1-CB 3.41Å | ||
| 159 | E | 78.3 | Confident | 70.1 | Confident | 151 Ų | 151 | 109.6 Ų | 109.6 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | trans | -58.7 | 129.7 | 179.4 | -69.3 | 179.9 | 173 | 0 | 0 | 111.7 | K161 S177 | E159-K161 PolarHBondContact O-N 2.93Å; E159-S177 WeakPolarHBondContact O-CA 3.3Å | ||
| 160 | D | 67 | Low | 67.8 | Low | 57 Ų | 57 | 115.1 Ų | 115.1 | 31% | 0.305 | 57% | 0.568 | S | S | . | * | trans | -80.8 | 98 | 170.9 | -167.2 | -27.2 | 0 | 0 | 0 | 109.7 | V158 R162 T163 | V158-D160 PolarHBondContact O-N 3.06Å; D160-R162 PolarHBondContact O-N 3.1Å; D160-R162 VanDerWaalsContact O-N 3.16Å; D160-R162 WeakPolarHBondContact OD1-CB 3.37Å; D160-R162 WeakPolarHBondContact OD1-CG 3.21Å; D160-R162 IonicContact OD1-CZ 2.83Å; D160-R162 PolarHBondContact OD1-N 3.46Å; D160-R162 IonicContact OD1-NE 2.71Å; D160-R162 PolarHBondContact OD1-NE 3.42Å; D160-R162 IonicContact OD1-NH2 3.79Å; D160-R162 IonicContact OD2-CZ 2.85Å; D160-R162 IonicContact OD2-NE 3.11Å; D160-R162 PolarHBondContact OD2-NE 2.94Å; D160-R162 IonicContact OD2-NH2 2.76Å; D160-R162 PolarHBondContact OD2-NH2 3.09Å; D160-T163 PolarHBondContact O-N 3.24Å; D160-T163 PolarHBondContact O-OG1 2.67Å | ||
| 161 | K | 64.1 | Low | 65.3 | Low | 92 Ų | 92 | 120 Ų | 120 | 40% | 0.4 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -70.2 | -3.7 | -179 | -68.7 | -169.3 | 177.6 | -175.4 | 0 | 113.9 | E159 T163 C164 A176 | E159-K161 PolarHBondContact O-N 2.93Å; K161-T163 PolarHBondContact O-N 2.7Å; K161-C164 PolarHBondContact O-N 3.42Å; K161-A176 PolarHBondContact N-O 3.09Å |
| 162 | R | 54.3 | Low | 62.9 | Low | 153 Ų | 153 | 125.3 Ų | 125.3 | 58% | 0.577 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -62.4 | -23 | 172 | -66.4 | 178 | -76.1 | -177.5 | 3.3 | 112.5 | D160 A176 | D160-R162 PolarHBondContact O-N 3.1Å; D160-R162 VanDerWaalsContact O-N 3.16Å; D160-R162 WeakPolarHBondContact OD1-CB 3.37Å; D160-R162 WeakPolarHBondContact OD1-CG 3.21Å; D160-R162 IonicContact OD1-CZ 2.83Å; D160-R162 PolarHBondContact OD1-N 3.46Å; D160-R162 IonicContact OD1-NE 2.71Å; D160-R162 PolarHBondContact OD1-NE 3.42Å; D160-R162 IonicContact OD1-NH2 3.79Å; D160-R162 IonicContact OD2-CZ 2.85Å; D160-R162 IonicContact OD2-NE 3.11Å; D160-R162 PolarHBondContact OD2-NE 2.94Å; D160-R162 IonicContact OD2-NH2 2.76Å; D160-R162 PolarHBondContact OD2-NH2 3.09Å; R162-A176 VanDerWaalsContact NE-CB 3.32Å |
| 163 | T | 46.5 | Very low | 60.8 | Low | 116 Ų | 116 | 125.4 Ų | 125.4 | 71% | 0.712 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -78.7 | -22.9 | 177.8 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | D160 K161 | D160-T163 PolarHBondContact O-N 3.24Å; D160-T163 PolarHBondContact O-OG1 2.67Å; K161-T163 PolarHBondContact O-N 2.7Å |
| 164 | C | 46.9 | Very low | 59 | Low | 96 Ų | 96 | 122.4 Ų | 122.4 | 65% | 0.649 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -21 | -174.7 | -64 | 0 | 0 | 0 | 0 | 114.5 | K161 | K161-C164 PolarHBondContact O-N 3.42Š|
| 165 | F | 42.3 | Very low | 57.2 | Low | 134 Ų | 134 | 118 Ų | 118 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | trans | -112.7 | 89.8 | -178.3 | -73.8 | -82.4 | 0 | 0 | 0 | 111.5 | F167 | F165-F167 PolarHBondContact O-N 3.11Š| ||
| 166 | R | 39.1 | Very low | 55.2 | Low | 232 Ų | 232 | 116 Ų | 116 | 88% | 0.875 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -71.8 | -2.8 | 173.6 | -84.4 | -172.7 | 174.2 | 176.6 | -1.2 | 114.8 | ||
| 167 | F | 35.4 | Very low | 53.3 | Low | 201 Ų | 201 | 107.6 Ų | 107.6 | 88% | 0.882 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -144.5 | 21.3 | -166.9 | -87.7 | -76 | 0 | 0 | 0 | 118 | F165 | F165-F167 PolarHBondContact O-N 3.11Š|
| 168 | T | 40.2 | Very low | 52 | Low | 94 Ų | 94 | 100.5 Ų | 100.5 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -113.6 | 125.9 | 168.6 | 39.4 | 0 | 0 | 0 | 0 | 111.2 | L170 | T168-L170 PolarHBondContact O-N 2.85Š|
| 169 | S | 42.5 | Very low | 51.6 | Low | 99 Ų | 99 | 102.5 Ų | 102.5 | 69% | 0.692 | 53% | 0.527 | S | S | * | . | trans | -38.6 | 125 | -177.8 | 52 | 0 | 0 | 0 | 0 | 113.4 | I171 | S169-I171 PolarHBondContact O-N 2.93Š| ||
| 170 | L | 39.1 | Very low | 52.1 | Low | 181 Ų | 181 | 98.3 Ų | 98.3 | 95% | 0.948 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 17.2 | -173.1 | -73 | 162.9 | 0 | 0 | 0 | 118.1 | T168 | T168-L170 PolarHBondContact O-N 2.85Š|
| 171 | I | 39.7 | Very low | 53.3 | Low | 128 Ų | 128 | 100.2 Ų | 100.2 | 66% | 0.656 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -14.6 | -174 | -56 | -179.5 | 0 | 0 | 0 | 113.1 | S169 | S169-I171 PolarHBondContact O-N 2.93Š|
| 172 | Q | 42.4 | Very low | 54.8 | Low | 131 Ų | 131 | 96.2 Ų | 96.2 | 61% | 0.612 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -91.4 | -21.6 | -173.3 | -97.5 | -178.9 | -25.2 | 0 | 0 | 116.8 | R174 | Q172-R174 PolarHBondContact O-N 3.47Š|
| 173 | A | 48.6 | Very low | 56.7 | Low | 63 Ų | 63 | 94.1 Ų | 94.1 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | trans | -96.5 | 77.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 174 | R | 54.7 | Low | 59 | Low | 66 Ų | 66 | 91 Ų | 91 | 25% | 0.249 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -62.1 | -37.1 | 162.4 | -176.8 | 178.9 | -178.5 | -171.2 | -5.8 | 110.6 | H146 Q172 R294 V327 A328 | H146-R174 PolarHBondContact CE1-NH2 3.39Å; Q172-R174 PolarHBondContact O-N 3.47Å; R174-R294 PolarHBondContact NH1-O 2.86Å; R174-V327 PolarHBondContact NH2-O 3.08Å; R174-A328 VanDerWaalsContact CZ-O 3.3Å; R174-A328 PolarHBondContact NH1-O 2.85Å; R174-A328 PolarHBondContact NH2-O 3.05Å |
| 175 | F | 56.7 | Low | 61.4 | Low | 18 Ų | 18 | 87.3 Ų | 87.3 | 8% | 0.079 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -99.4 | 125.9 | 172 | -54.9 | -66.6 | 0 | 0 | 0 | 109.3 | G145 H146 E149 S177 G295 | G145-F175 VanDerWaalsContact CA-CE2 3.49Å; G145-F175 WeakPolarHBondContact O-CD1 3.44Å; G145-F175 VanDerWaalsContact O-CE1 3.27Å; G145-F175 WeakPolarHBondContact O-CE1 3.33Å; H146-F175 AromaticContact ND1-CE1 3.87Å; H146-F175 AromaticContact ND1-CZ 3.96Å; E149-F175 HydrophobicContact CB-CD1 4.01Å; E149-F175 HydrophobicContact CB-CE1 4.4Å; F175-S177 PolarHBondContact O-N 3.22Å; F175-G295 WeakPolarHBondContact CE2-O 3.37Å |
| 176 | A | 52.7 | Low | 64 | Low | 7 Ų | 7 | 81.1 Ų | 81.1 | 6% | 0.058 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -36.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K161 R162 | K161-A176 PolarHBondContact N-O 3.09Å; R162-A176 VanDerWaalsContact NE-CB 3.32Å |
| 177 | S | 54.8 | Low | 66.7 | Low | 7 Ų | 7 | 74.2 Ų | 74.2 | 5% | 0.049 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | -8.2 | -159 | 8.5 | 0 | 0 | 0 | 0 | 114.3 | E149 K152 V158 E159 F175 | E149-S177 PolarHBondContact OE2-OG 2.94Å; K152-S177 WeakPolarHBondContact CE-OG 3.36Å; K152-S177 PolarHBondContact NZ-OG 3.37Å; V158-S177 VanDerWaalsContact CG1-CB 3.41Å; E159-S177 WeakPolarHBondContact O-CA 3.3Å; F175-S177 PolarHBondContact O-N 3.22Å |
| 178 | A | 63.6 | Low | 69.6 | Low | 34 Ų | 34 | 67.9 Ų | 67.9 | 28% | 0.281 | 39% | 0.393 | S | S | . | . | trans | -147 | 130.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I148 | I148-A178 HydrophobicContact CD1-CB 4.29Å; I148-A178 HydrophobicContact CG2-CB 4.37Å | ||
| 179 | S | 75.7 | Confident | 72.3 | Confident | 92 Ų | 92 | 63.9 Ų | 63.9 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | trans | -93.3 | 128.8 | 165.8 | 58.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 180 | H | 87.4 | Confident | 74.8 | Confident | 63 Ų | 63 | 61.7 Ų | 61.7 | 29% | 0.292 | 35% | 0.347 | S | S | . | . | trans | -91.5 | 130 | 176.9 | 169.6 | -91.8 | 0 | 0 | 0 | 111.7 | M185 | H180-M185 PolarHBondContact NE2-SD 3.31Å; H180-M185 VanDerWaalsContact NE2-SD 3.44Å | ||
| 181 | D | 92.6 | Very high | 77.5 | Confident | 98 Ų | 98 | 55.1 Ų | 55.1 | 52% | 0.524 | 32% | 0.323 | S | S | . | . | trans | -97.8 | 108.3 | 172.9 | -176 | -19.9 | 0 | 0 | 0 | 110.9 | K183 A184 M185 | D181-K183 PolarHBondContact O-N 3.38Å; D181-K183 WeakPolarHBondContact OD1-CA 3.49Å; D181-K183 PolarHBondContact OD1-N 3.2Å; D181-A184 HydrophobicContact CB-CB 3.89Å; D181-A184 PolarHBondContact OD1-N 2.91Å; D181-M185 PolarHBondContact O-N 3.26Å; D181-M185 VanDerWaalsContact O-N 3.16Å | ||
| 182 | W | 95.2 | Very high | 80.2 | Confident | 8 Ų | 8 | 53.2 Ų | 53.2 | 3% | 0.03 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 177.8 | 178 | -88.5 | 0 | 0 | 0 | 113.4 | M138 M185 T186 L267 L270 Y272 C273 P274 F292 L293 I296 | M138-W182 HydrophobicContact CE-CH2 4.43Å; M138-W182 HydrophobicContact SD-CH2 4.32Å; W182-M185 HydrophobicContact CD2-CE 4.24Å; W182-M185 HydrophobicContact CE3-CE 3.67Å; W182-M185 HydrophobicContact CH2-CE 4.4Å; W182-M185 HydrophobicContact CZ3-CE 3.76Å; W182-M185 PolarHBondContact O-N 3.31Å; W182-T186 HydrophobicContact CD2-CG2 4.23Å; W182-T186 HydrophobicContact CG-CG2 4.43Å; W182-T186 HydrophobicContact CZ2-CG2 3.91Å; W182-T186 WeakPolarHBondContact O-CB 3.14Å; W182-T186 WeakPolarHBondContact O-CG2 3.35Å; W182-T186 PolarHBondContact O-N 2.83Å; W182-T186 PolarHBondContact O-OG1 3.38Å; W182-L267 HydrophobicContact CH2-CD1 4Å; W182-L267 HydrophobicContact CH2-CG 4.5Å; W182-L267 HydrophobicContact CZ2-CD1 4.39Å; W182-L267 WeakPolarHBondContact CZ2-O 3.45Å; W182-L270 HydrophobicContact CZ2-CB 4.08Å; W182-L270 PolarHBondContact NE1-O 3.45Å; W182-Y272 VanDerWaalsContact CD1-C 3.44Å; W182-Y272 PolarHBondContact NE1-O 3.32Å; W182-C273 HydrophobicContact CB-CB 3.94Å; W182-C273 HydrophobicContact CG-CB 4.1Å; W182-P274 HydrophobicContact CE3-CG 4.35Å; W182-P274 HydrophobicContact CH2-CG 3.9Å; W182-P274 HydrophobicContact CZ2-CG 4.27Å; W182-P274 HydrophobicContact CZ3-CG 3.94Å; W182-F292 HydrophobicContact CH2-CE2 4.33Å; W182-F292 HydrophobicContact CZ3-CE2 4.21Å; W182-L293 HydrophobicContact CH2-CD2 4.07Å; W182-L293 HydrophobicContact CZ3-CD2 3.76Å; W182-I296 HydrophobicContact CE3-CD1 3.72Å; W182-I296 HydrophobicContact CZ3-CD1 3.77Å |
| 183 | K | 94.6 | Very high | 82.7 | Confident | 108 Ų | 108 | 47.1 Ų | 47.1 | 47% | 0.47 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | -176 | -166.5 | -170.8 | -179.1 | -47.7 | 0 | 110.1 | D181 M185 T186 D187 | D181-K183 PolarHBondContact O-N 3.38Å; D181-K183 WeakPolarHBondContact OD1-CA 3.49Å; D181-K183 PolarHBondContact OD1-N 3.2Å; K183-M185 VanDerWaalsContact C-N 3.34Å; K183-M185 PolarHBondContact O-N 3.18Å; K183-T186 WeakPolarHBondContact CA-OG1 3.45Å; K183-T186 PolarHBondContact O-N 3.2Å; K183-T186 PolarHBondContact O-OG1 3.23Å; K183-T186 VanDerWaalsContact O-OG1 3.08Å; K183-D187 IonicContact NZ-OD1 3.83Å; K183-D187 PolarHBondContact NZ-OD1 3.24Å; K183-D187 IonicContact NZ-OD2 2.86Å; K183-D187 PolarHBondContact NZ-OD2 3.2Å; K183-D187 VanDerWaalsContact O-CB 3.32Å; K183-D187 WeakPolarHBondContact O-CB 3.37Å; K183-D187 PolarHBondContact O-N 2.92Å |
| 184 | A | 95.5 | Very high | 84.8 | Confident | 52 Ų | 52 | 46.2 Ų | 46.2 | 43% | 0.43 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D181 A188 | D181-A184 HydrophobicContact CB-CB 3.89Å; D181-A184 PolarHBondContact OD1-N 2.91Å; A184-A188 WeakPolarHBondContact O-CB 3.36Å; A184-A188 PolarHBondContact O-N 3.09Å; A184-A188 VanDerWaalsContact O-N 3.14Å |
| 185 | M | 97.1 | Very high | 86.7 | Confident | 17 Ų | 17 | 46.5 Ų | 46.5 | 8% | 0.084 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 175.9 | 177.3 | -176.7 | 64.5 | 0 | 0 | 111.8 | M138 T141 H180 D181 W182 K183 A188 I189 | M138-M185 HydrophobicContact CB-SD 4.33Å; M138-M185 HydrophobicContact CE-CE 4.02Å; M138-M185 HydrophobicContact CG-CE 3.96Å; M138-M185 HydrophobicContact CG-SD 3.85Å; M138-M185 HydrophobicContact SD-CE 4.01Å; T141-M185 HydrophobicContact CG2-SD 3.69Å; T141-M185 PolarHBondContact OG1-SD 3.23Å; T141-M185 VanDerWaalsContact OG1-SD 3.35Å; H180-M185 PolarHBondContact NE2-SD 3.31Å; H180-M185 VanDerWaalsContact NE2-SD 3.44Å; D181-M185 PolarHBondContact O-N 3.26Å; D181-M185 VanDerWaalsContact O-N 3.16Å; W182-M185 HydrophobicContact CD2-CE 4.24Å; W182-M185 HydrophobicContact CE3-CE 3.67Å; W182-M185 HydrophobicContact CH2-CE 4.4Å; W182-M185 HydrophobicContact CZ3-CE 3.76Å; W182-M185 PolarHBondContact O-N 3.31Å; K183-M185 VanDerWaalsContact C-N 3.34Å; K183-M185 PolarHBondContact O-N 3.18Å; M185-A188 PolarHBondContact O-N 2.84Å; M185-I189 HydrophobicContact CG-CD1 3.7Å; M185-I189 HydrophobicContact CG-CG1 4.48Å; M185-I189 WeakPolarHBondContact O-CB 3.47Å; M185-I189 VanDerWaalsContact O-CG1 3.32Å; M185-I189 WeakPolarHBondContact O-CG1 3.35Å; M185-I189 PolarHBondContact O-N 3.39Å; M185-I189 HydrophobicContact SD-CD1 4.38Å |
| 186 | T | 96.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | -177.9 | 49 | 0 | 0 | 0 | 0 | 111.9 | M138 W182 K183 A188 I189 Q190 | M138-T186 HydrophobicContact CE-CG2 3.88Å; W182-T186 HydrophobicContact CD2-CG2 4.23Å; W182-T186 HydrophobicContact CG-CG2 4.43Å; W182-T186 HydrophobicContact CZ2-CG2 3.91Å; W182-T186 WeakPolarHBondContact O-CB 3.14Å; W182-T186 WeakPolarHBondContact O-CG2 3.35Å; W182-T186 PolarHBondContact O-N 2.83Å; W182-T186 PolarHBondContact O-OG1 3.38Å; K183-T186 WeakPolarHBondContact CA-OG1 3.45Å; K183-T186 PolarHBondContact O-N 3.2Å; K183-T186 PolarHBondContact O-OG1 3.23Å; K183-T186 VanDerWaalsContact O-OG1 3.08Å; T186-A188 PolarHBondContact O-N 2.83Å; T186-I189 PolarHBondContact O-N 2.81Å; T186-Q190 VanDerWaalsContact O-CB 3.28Å; T186-Q190 WeakPolarHBondContact O-CB 3.06Å; T186-Q190 WeakPolarHBondContact O-CG 3.08Å; T186-Q190 PolarHBondContact O-N 3.08Å |
| 187 | D | 95.7 | Very high | 90.5 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 46% | 0.46 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.4 | -46.4 | 175.9 | -72.8 | -16.5 | 0 | 0 | 0 | 111.4 | K183 Q190 G191 | K183-D187 IonicContact NZ-OD1 3.83Å; K183-D187 PolarHBondContact NZ-OD1 3.24Å; K183-D187 IonicContact NZ-OD2 2.86Å; K183-D187 PolarHBondContact NZ-OD2 3.2Å; K183-D187 VanDerWaalsContact O-CB 3.32Å; K183-D187 WeakPolarHBondContact O-CB 3.37Å; K183-D187 PolarHBondContact O-N 2.92Å; D187-Q190 PolarHBondContact O-N 2.84Å; D187-G191 PolarHBondContact O-N 2.97Å |
| 188 | A | 97.3 | Very high | 92.3 | Very high | 69 Ų | 69 | 55.9 Ų | 55.9 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -63.1 | -45.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A184 M185 T186 G191 H192 | A184-A188 WeakPolarHBondContact O-CB 3.36Å; A184-A188 PolarHBondContact O-N 3.09Å; A184-A188 VanDerWaalsContact O-N 3.14Å; M185-A188 PolarHBondContact O-N 2.84Å; T186-A188 PolarHBondContact O-N 2.83Å; A188-G191 PolarHBondContact O-N 3.23Å; A188-H192 PolarHBondContact O-N 3.39Å; A188-H192 VanDerWaalsContact O-N 3.07Å |
| 189 | I | 96.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 55.7 Ų | 55.7 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.8 | -69.3 | 174 | 0 | 0 | 0 | 110.9 | P134 L137 M138 M185 T186 G191 H192 I193 | P134-I189 HydrophobicContact CB-CG2 3.8Å; L137-I189 HydrophobicContact CB-CD1 3.74Å; L137-I189 HydrophobicContact CB-CG1 3.93Å; L137-I189 HydrophobicContact CD1-CG1 4.12Å; L137-I189 HydrophobicContact CD1-CG2 4.16Å; M138-I189 HydrophobicContact CE-CD1 4.17Å; M138-I189 HydrophobicContact CG-CD1 3.61Å; M185-I189 HydrophobicContact CG-CD1 3.7Å; M185-I189 HydrophobicContact CG-CG1 4.48Å; M185-I189 WeakPolarHBondContact O-CB 3.47Å; M185-I189 VanDerWaalsContact O-CG1 3.32Å; M185-I189 WeakPolarHBondContact O-CG1 3.35Å; M185-I189 PolarHBondContact O-N 3.39Å; M185-I189 HydrophobicContact SD-CD1 4.38Å; T186-I189 PolarHBondContact O-N 2.81Å; I189-G191 VanDerWaalsContact C-N 3.3Å; I189-G191 PolarHBondContact O-N 3.48Å; I189-H192 WeakPolarHBondContact O-CB 3.28Å; I189-H192 PolarHBondContact O-N 2.95Å; I189-I193 HydrophobicContact CG2-CD1 3.89Å; I189-I193 HydrophobicContact CG2-CG1 4.48Å; I189-I193 WeakPolarHBondContact O-CG1 3.18Å; I189-I193 PolarHBondContact O-N 2.92Å |
| 190 | Q | 94.7 | Very high | 94.7 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 24% | 0.243 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -31.6 | 178.2 | -68.7 | -61.1 | -43.3 | 0 | 0 | 112.2 | T186 D187 S194 F268 | T186-Q190 VanDerWaalsContact O-CB 3.28Å; T186-Q190 WeakPolarHBondContact O-CB 3.06Å; T186-Q190 WeakPolarHBondContact O-CG 3.08Å; T186-Q190 PolarHBondContact O-N 3.08Å; D187-Q190 PolarHBondContact O-N 2.84Å; Q190-S194 WeakPolarHBondContact O-CB 3.18Å; Q190-S194 PolarHBondContact O-N 3.12Å; Q190-S194 PolarHBondContact O-OG 3.48Å; Q190-F268 PolarHBondContact NE2-O 3.1Å |
| 191 | G | 94.7 | Very high | 95 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 45% | 0.454 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D187 A188 I189 S194 S195 | D187-G191 PolarHBondContact O-N 2.97Å; A188-G191 PolarHBondContact O-N 3.23Å; I189-G191 VanDerWaalsContact C-N 3.3Å; I189-G191 PolarHBondContact O-N 3.48Å; G191-S194 WeakPolarHBondContact O-CB 3.3Å; G191-S194 PolarHBondContact O-N 3.06Å; G191-S195 PolarHBondContact O-N 3.39Å; G191-S195 VanDerWaalsContact O-N 3.13Å |
| 192 | H | 96.2 | Very high | 95.1 | Very high | 88 Ų | 88 | 51 Ų | 51 | 41% | 0.407 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.8 | -179.5 | 66.6 | 0 | 0 | 0 | 112.4 | A188 I189 S194 S195 L196 | A188-H192 PolarHBondContact O-N 3.39Å; A188-H192 VanDerWaalsContact O-N 3.07Å; I189-H192 WeakPolarHBondContact O-CB 3.28Å; I189-H192 PolarHBondContact O-N 2.95Å; H192-S194 VanDerWaalsContact C-N 3.3Å; H192-S194 PolarHBondContact O-N 3.48Å; H192-S195 VanDerWaalsContact O-CB 3.32Å; H192-S195 WeakPolarHBondContact O-CB 3.31Å; H192-S195 PolarHBondContact O-N 3.03Å; H192-S195 VanDerWaalsContact O-N 3.09Å; H192-L196 PolarHBondContact O-N 3.46Å |
| 193 | I | 95 | Very high | 95.2 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -43.2 | 175.9 | -68.6 | 169.1 | 0 | 0 | 0 | 110.8 | V128 I133 P134 I189 S195 L196 N197 | V128-I193 HydrophobicContact CG1-CG2 4.34Å; V128-I193 WeakPolarHBondContact O-CG1 3.25Å; I133-I193 HydrophobicContact CG2-CG1 4.35Å; P134-I193 HydrophobicContact CB-CD1 4.01Å; P134-I193 HydrophobicContact CG-CD1 4.11Å; I189-I193 HydrophobicContact CG2-CD1 3.89Å; I189-I193 HydrophobicContact CG2-CG1 4.48Å; I189-I193 WeakPolarHBondContact O-CG1 3.18Å; I189-I193 PolarHBondContact O-N 2.92Å; I193-S195 PolarHBondContact O-N 3.46Å; I193-L196 PolarHBondContact O-N 2.65Å; I193-L196 VanDerWaalsContact O-N 3.15Å; I193-N197 VanDerWaalsContact O-CG 3.27Å; I193-N197 PolarHBondContact O-N 3.47Å; I193-N197 PolarHBondContact O-OD1 3.19Å; I193-N197 VanDerWaalsContact O-OD1 3.08Å |
| 194 | S | 93.2 | Very high | 95.3 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 31% | 0.308 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.1 | -37.4 | 176.9 | -63.2 | 0 | 0 | 0 | 0 | 112.2 | Q190 G191 H192 W198 | Q190-S194 WeakPolarHBondContact O-CB 3.18Å; Q190-S194 PolarHBondContact O-N 3.12Å; Q190-S194 PolarHBondContact O-OG 3.48Å; G191-S194 WeakPolarHBondContact O-CB 3.3Å; G191-S194 PolarHBondContact O-N 3.06Å; H192-S194 VanDerWaalsContact C-N 3.3Å; H192-S194 PolarHBondContact O-N 3.48Å; S194-W198 PolarHBondContact O-N 2.96Å; S194-W198 VanDerWaalsContact O-N 3.13Å |
| 195 | S | 94.1 | Very high | 95.3 | Very high | 72 Ų | 72 | 52.7 Ų | 52.7 | 50% | 0.503 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66 | -44.9 | 174.2 | -175.1 | 0 | 0 | 0 | 0 | 112.4 | G191 H192 I193 N197 W198 G199 | G191-S195 PolarHBondContact O-N 3.39Å; G191-S195 VanDerWaalsContact O-N 3.13Å; H192-S195 VanDerWaalsContact O-CB 3.32Å; H192-S195 WeakPolarHBondContact O-CB 3.31Å; H192-S195 PolarHBondContact O-N 3.03Å; H192-S195 VanDerWaalsContact O-N 3.09Å; I193-S195 PolarHBondContact O-N 3.46Å; S195-N197 PolarHBondContact O-N 2.86Å; S195-W198 WeakPolarHBondContact O-CB 3.45Å; S195-W198 PolarHBondContact O-N 3.46Å; S195-G199 PolarHBondContact O-N 3.49Å |
| 196 | L | 95.2 | Very high | 95.3 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | 175.9 | -66.1 | 177.9 | 0 | 0 | 0 | 112.1 | V128 I133 H192 I193 W198 G199 H200 | V128-L196 HydrophobicContact CG1-CB 3.98Å; V128-L196 HydrophobicContact CG1-CD1 3.99Å; I133-L196 HydrophobicContact CG1-CD1 4.32Å; I133-L196 HydrophobicContact CG2-CD1 4.06Å; H192-L196 PolarHBondContact O-N 3.46Å; I193-L196 PolarHBondContact O-N 2.65Å; I193-L196 VanDerWaalsContact O-N 3.15Å; L196-W198 VanDerWaalsContact C-N 3.26Å; L196-W198 PolarHBondContact O-N 3.48Å; L196-G199 PolarHBondContact O-N 3.25Å; L196-G199 VanDerWaalsContact O-N 3.16Å; L196-H200 PolarHBondContact O-N 3.29Å |
| 197 | N | 94.4 | Very high | 95.4 | Very high | 12 Ų | 12 | 62 Ų | 62 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 178.7 | -67 | 12.2 | 0 | 0 | 0 | 112 | S121 L123 V128 N129 I193 S195 R201 | S121-N197 WeakPolarHBondContact O-CB 3.43Å; S121-N197 PolarHBondContact O-ND2 2.81Å; S121-N197 PolarHBondContact OG-O 3.07Å; L123-N197 PolarHBondContact O-OD1 3.16Å; V128-N197 WeakPolarHBondContact CG1-OD1 3.27Å; N129-N197 PolarHBondContact OD1-ND2 2.96Å; N129-N197 PolarHBondContact OD1-OD1 2.69Å; I193-N197 VanDerWaalsContact O-CG 3.27Å; I193-N197 PolarHBondContact O-N 3.47Å; I193-N197 PolarHBondContact O-OD1 3.19Å; I193-N197 VanDerWaalsContact O-OD1 3.08Å; S195-N197 PolarHBondContact O-N 2.86Å; N197-R201 PolarHBondContact O-N 2.9Å |
| 198 | W | 92.7 | Very high | 95.5 | Very high | 164 Ų | 164 | 62.8 Ų | 62.8 | 62% | 0.621 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -68.1 | -47.1 | 172.5 | 178.9 | 91.4 | 0 | 0 | 0 | 111.1 | S194 S195 L196 H200 R201 V202 | S194-W198 PolarHBondContact O-N 2.96Å; S194-W198 VanDerWaalsContact O-N 3.13Å; S195-W198 WeakPolarHBondContact O-CB 3.45Å; S195-W198 PolarHBondContact O-N 3.46Å; L196-W198 VanDerWaalsContact C-N 3.26Å; L196-W198 PolarHBondContact O-N 3.48Å; W198-H200 VanDerWaalsContact C-N 3.31Å; W198-H200 PolarHBondContact O-N 2.64Å; W198-R201 WeakPolarHBondContact O-CB 3.41Å; W198-R201 PolarHBondContact O-N 3.04Å; W198-V202 HydrophobicContact CD2-CG2 3.88Å; W198-V202 HydrophobicContact CE3-CG2 4.05Å; W198-V202 HydrophobicContact CH2-CG2 3.79Å; W198-V202 HydrophobicContact CZ2-CG2 3.61Å; W198-V202 HydrophobicContact CZ3-CG2 4Å; W198-V202 WeakPolarHBondContact O-CG2 3.49Å; W198-V202 PolarHBondContact O-N 2.95Å |
| 199 | G | 94.7 | Very high | 95.6 | Very high | 31 Ų | 31 | 59.9 Ų | 59.9 | 32% | 0.32 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.6 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S195 L196 R201 V202 A203 | S195-G199 PolarHBondContact O-N 3.49Å; L196-G199 PolarHBondContact O-N 3.25Å; L196-G199 VanDerWaalsContact O-N 3.16Å; G199-R201 PolarHBondContact O-N 3.35Å; G199-V202 PolarHBondContact O-N 3.18Å; G199-A203 WeakPolarHBondContact O-CB 3.17Å; G199-A203 PolarHBondContact O-N 2.7Å |
| 200 | H | 95.4 | Very high | 95.6 | Very high | 44 Ų | 44 | 62 Ų | 62 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 173.2 | -71.9 | -26 | 0 | 0 | 0 | 112.9 | L87 L123 L196 W198 A203 L204 | L87-H200 HydrophobicContact CD1-CB 4.17Å; L123-H200 HydrophobicContact CB-CB 4Å; L123-H200 HydrophobicContact CD1-CB 4.37Å; L196-H200 PolarHBondContact O-N 3.29Å; W198-H200 VanDerWaalsContact C-N 3.31Å; W198-H200 PolarHBondContact O-N 2.64Å; H200-A203 PolarHBondContact O-N 2.97Å; H200-L204 WeakPolarHBondContact O-CG 3.39Å; H200-L204 PolarHBondContact O-N 2.83Å; H200-L204 VanDerWaalsContact O-N 3.09Å |
| 201 | R | 93 | Very high | 95.6 | Very high | 92 Ų | 92 | 62 Ų | 62 | 35% | 0.347 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.1 | -171.1 | -170.4 | -64.1 | -172.2 | -5.1 | 111.7 | N119 S121 L123 N197 W198 G199 L204 R205 | N119-R201 PolarHBondContact O-NH1 3.47Å; N119-R201 PolarHBondContact O-NH2 3.04Å; S121-R201 VanDerWaalsContact CB-NH2 3.32Å; S121-R201 PolarHBondContact OG-NE 3.45Å; S121-R201 PolarHBondContact OG-NH2 2.75Å; L123-R201 HydrophobicContact CD1-CB 4.22Å; N197-R201 PolarHBondContact O-N 2.9Å; W198-R201 WeakPolarHBondContact O-CB 3.41Å; W198-R201 PolarHBondContact O-N 3.04Å; G199-R201 PolarHBondContact O-N 3.35Å; R201-L204 PolarHBondContact O-N 2.81Å; R201-R205 PolarHBondContact O-N 3.26Å; R201-R205 VanDerWaalsContact O-N 3.08Å |
| 202 | V | 95.2 | Very high | 95.6 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 176.5 | 172.9 | 0 | 0 | 0 | 0 | 110.3 | W198 G199 L204 R205 E206 | W198-V202 HydrophobicContact CD2-CG2 3.88Å; W198-V202 HydrophobicContact CE3-CG2 4.05Å; W198-V202 HydrophobicContact CH2-CG2 3.79Å; W198-V202 HydrophobicContact CZ2-CG2 3.61Å; W198-V202 HydrophobicContact CZ3-CG2 4Å; W198-V202 WeakPolarHBondContact O-CG2 3.49Å; W198-V202 PolarHBondContact O-N 2.95Å; G199-V202 PolarHBondContact O-N 3.18Å; V202-L204 VanDerWaalsContact C-N 3.29Å; V202-L204 PolarHBondContact O-N 3.32Å; V202-R205 PolarHBondContact O-N 3.13Å; V202-R205 VanDerWaalsContact O-N 3.08Å; V202-E206 HydrophobicContact CG1-CG 4.23Å; V202-E206 VanDerWaalsContact CG1-OE1 3.29Å; V202-E206 WeakPolarHBondContact CG1-OE1 3.46Å; V202-E206 WeakPolarHBondContact O-CG 3.45Å; V202-E206 PolarHBondContact O-N 3.24Å |
| 203 | A | 96.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 20% | 0.198 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -30.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K91 G199 H200 | K91-A203 HydrophobicContact CD-CB 4.17Å; G199-A203 WeakPolarHBondContact O-CB 3.17Å; G199-A203 PolarHBondContact O-N 2.7Å; H200-A203 PolarHBondContact O-N 2.97Å |
| 204 | L | 97 | Very high | 95.5 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.8 | -45.5 | 171.7 | -71.6 | -177.8 | 0 | 0 | 0 | 111.3 | L87 K91 V102 L123 H200 R201 V202 K207 S208 V209 Y211 | L87-L204 HydrophobicContact CD2-CD1 3.75Å; L87-L204 HydrophobicContact CD2-CD2 3.92Å; L87-L204 HydrophobicContact CD2-CG 4.08Å; K91-L204 HydrophobicContact CD-CD2 4.49Å; K91-L204 HydrophobicContact CG-CD2 3.84Å; V102-L204 HydrophobicContact CG2-CD2 4.48Å; L123-L204 HydrophobicContact CD1-CD1 3.78Å; L123-L204 HydrophobicContact CD2-CD1 4.45Å; H200-L204 WeakPolarHBondContact O-CG 3.39Å; H200-L204 PolarHBondContact O-N 2.83Å; H200-L204 VanDerWaalsContact O-N 3.09Å; R201-L204 PolarHBondContact O-N 2.81Å; V202-L204 VanDerWaalsContact C-N 3.29Å; V202-L204 PolarHBondContact O-N 3.32Å; L204-K207 CarbonylContact O-C 3.57Å; L204-K207 PolarHBondContact O-N 2.91Å; L204-S208 PolarHBondContact O-N 2.54Å; L204-V209 HydrophobicContact CB-CB 4.17Å; L204-V209 HydrophobicContact CD2-CB 3.91Å; L204-V209 HydrophobicContact CD2-CG1 3.87Å; L204-V209 HydrophobicContact CD2-CG2 4.26Å; L204-V209 PolarHBondContact O-N 2.89Å; L204-Y211 HydrophobicContact CD1-CD2 4.45Å; L204-Y211 HydrophobicContact CD1-CG 4.49Å |
| 205 | R | 96 | Very high | 95.5 | Very high | 177 Ų | 177 | 59.9 Ų | 59.9 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.9 | -43.6 | -179.6 | -177.2 | -178.7 | 63.4 | -167.9 | -0.9 | 112.3 | R201 V202 K207 S208 | R201-R205 PolarHBondContact O-N 3.26Å; R201-R205 VanDerWaalsContact O-N 3.08Å; V202-R205 PolarHBondContact O-N 3.13Å; V202-R205 VanDerWaalsContact O-N 3.08Å; R205-K207 PolarHBondContact O-N 3.3Å; R205-S208 PolarHBondContact O-N 2.93Å |
| 206 | E | 97.6 | Very high | 95.6 | Very high | 144 Ų | 144 | 56.6 Ų | 56.6 | 67% | 0.673 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -60 | -27.3 | 177 | -73.5 | 172 | 171.5 | 0 | 0 | 112.9 | V202 | V202-E206 HydrophobicContact CG1-CG 4.23Å; V202-E206 VanDerWaalsContact CG1-OE1 3.29Å; V202-E206 WeakPolarHBondContact CG1-OE1 3.46Å; V202-E206 WeakPolarHBondContact O-CG 3.45Å; V202-E206 PolarHBondContact O-N 3.24Å |
| 207 | K | 97.7 | Very high | 95.7 | Very high | 72 Ų | 72 | 55.1 Ų | 55.1 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 12.2 | 176.9 | -66.6 | -174.6 | 169.2 | -165.2 | 0 | 113.3 | K91 A94 M95 L204 R205 V209 | K91-K207 HydrophobicContact CB-CD 3.85Å; K91-K207 HydrophobicContact CG-CD 4.03Å; K91-K207 WeakPolarHBondContact O-CD 3.29Å; K91-K207 PolarHBondContact O-NZ 2.96Å; A94-K207 HydrophobicContact CB-CB 4.1Å; M95-K207 PolarHBondContact SD-NZ 2.95Å; L204-K207 CarbonylContact O-C 3.57Å; L204-K207 PolarHBondContact O-N 2.91Å; R205-K207 PolarHBondContact O-N 3.3Å; K207-V209 HydrophobicContact CB-CG2 4.18Å; K207-V209 PolarHBondContact O-N 3.38Å; K207-V209 VanDerWaalsContact O-N 3.1Å |
| 208 | S | 97.8 | Very high | 95.9 | Very high | 103 Ų | 103 | 54.6 Ų | 54.6 | 72% | 0.72 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 27.8 | -178.5 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | L204 R205 | L204-S208 PolarHBondContact O-N 2.54Å; R205-S208 PolarHBondContact O-N 2.93Å |
| 209 | V | 98.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 124.9 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | A90 A94 V100 V102 L204 K207 Y211 | A90-V209 HydrophobicContact CB-CG1 4.28Å; A94-V209 HydrophobicContact CB-CG2 3.56Å; V100-V209 HydrophobicContact CB-CG1 4.17Å; V100-V209 HydrophobicContact CB-CG2 4.3Å; V100-V209 HydrophobicContact CG1-CG1 4.01Å; V102-V209 HydrophobicContact CG2-CG1 3.75Å; L204-V209 HydrophobicContact CB-CB 4.17Å; L204-V209 HydrophobicContact CD2-CB 3.91Å; L204-V209 HydrophobicContact CD2-CG1 3.87Å; L204-V209 HydrophobicContact CD2-CG2 4.26Å; L204-V209 PolarHBondContact O-N 2.89Å; K207-V209 HydrophobicContact CB-CG2 4.18Å; K207-V209 PolarHBondContact O-N 3.38Å; K207-V209 VanDerWaalsContact O-N 3.1Å; V209-Y211 PolarHBondContact O-N 2.86Å |
| 210 | V | 97.8 | Very high | 96 | Very high | 55 Ų | 55 | 50 Ų | 50 | 33% | 0.333 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 116.3 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | Y75 V100 A101 V102 L212 | Y75-V210 HydrophobicContact CE1-CB 4.21Å; Y75-V210 HydrophobicContact CE1-CG2 3.97Å; V100-V210 PolarHBondContact O-N 2.88Å; A101-V210 CarbonylContact C-O 3.5Å; A101-V210 VanDerWaalsContact CA-O 3.22Å; A101-V210 WeakPolarHBondContact CA-O 3.22Å; A101-V210 HydrophobicContact CB-CB 4.2Å; V102-V210 PolarHBondContact N-O 3.02Å; V210-L212 HydrophobicContact CG1-CD2 3.97Å; V210-L212 HydrophobicContact CG1-CG 4.14Å |
| 211 | Y | 95.7 | Very high | 95.9 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 21% | 0.208 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.9 | 173.8 | 171.9 | -119.4 | 0 | 0 | 0 | 111.2 | D104 L123 L204 V209 N213 | D104-Y211 HydrophobicContact CB-CE2 3.88Å; L123-Y211 HydrophobicContact CD1-CD1 4.39Å; L123-Y211 HydrophobicContact CD1-CD2 4.09Å; L123-Y211 HydrophobicContact CD1-CE1 4.35Å; L123-Y211 HydrophobicContact CD1-CE2 4.05Å; L123-Y211 HydrophobicContact CD1-CG 4.25Å; L123-Y211 HydrophobicContact CD2-CD2 3.73Å; L123-Y211 HydrophobicContact CD2-CE2 3.29Å; L123-Y211 HydrophobicContact CG-CD2 4.21Å; L123-Y211 HydrophobicContact CG-CE1 4.46Å; L123-Y211 HydrophobicContact CG-CE2 3.7Å; L204-Y211 HydrophobicContact CD1-CD2 4.45Å; L204-Y211 HydrophobicContact CD1-CG 4.49Å; V209-Y211 PolarHBondContact O-N 2.86Å; Y211-N213 HydrophobicContact CE1-CB 4.02Å |
| 212 | L | 94.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.136 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 110.6 | 176.6 | -60.2 | 176 | 0 | 0 | 0 | 108.9 | V102 L103 D104 V210 A214 Q234 V236 | V102-L212 PolarHBondContact O-N 2.76Å; L103-L212 WeakPolarHBondContact CA-O 3.21Å; L103-L212 HydrophobicContact CD1-CD1 3.99Å; L103-L212 HydrophobicContact CG-CB 4.07Å; L103-L212 HydrophobicContact CG-CD1 4.13Å; D104-L212 PolarHBondContact N-O 2.87Å; D104-L212 VanDerWaalsContact N-O 3.09Å; V210-L212 HydrophobicContact CG1-CD2 3.97Å; V210-L212 HydrophobicContact CG1-CG 4.14Å; L212-A214 HydrophobicContact CB-CB 4.4Å; L212-A214 PolarHBondContact O-N 3.29Å; L212-Q234 VanDerWaalsContact CD2-NE2 3.26Å; L212-V236 HydrophobicContact CD1-CG2 4.04Å |
| 213 | N | 93 | Very high | 96.2 | Very high | 49 Ų | 49 | 45.2 Ų | 45.2 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | trans | -78.9 | 74.4 | 171.3 | -171.3 | -8.3 | 0 | 0 | 0 | 109.5 | D104 G116 Y211 | D104-N213 CarbonylContact O-C 3.12Å; D104-N213 WeakPolarHBondContact O-CA 3.42Å; D104-N213 PolarHBondContact O-OD1 3.34Å; G116-N213 PolarHBondContact O-ND2 3.16Å; Y211-N213 HydrophobicContact CE1-CB 4.02Å | ||
| 214 | A | 94.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 44 Ų | 44 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 142.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111 | D104 L212 G216 A226 V227 D228 | D104-A214 PolarHBondContact O-N 2.83Å; L212-A214 HydrophobicContact CB-CB 4.4Å; L212-A214 PolarHBondContact O-N 3.29Å; A214-G216 PolarHBondContact O-N 2.74Å; A214-A226 HydrophobicContact CB-CB 3.82Å; A214-V227 CarbonylContact C-O 3.5Å; A214-V227 VanDerWaalsContact CA-O 3.26Å; A214-V227 WeakPolarHBondContact CA-O 3.05Å; A214-D228 HydrophobicContact CB-CB 4.43Å |
| 215 | F | 94.4 | Very high | 96.2 | Very high | 52 Ų | 52 | 46.7 Ų | 46.7 | 23% | 0.228 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 121.7 | 174.7 | -170.2 | -87.2 | 0 | 0 | 0 | 109.5 | Y105 V107 A226 V227 S398 | Y105-F215 HydrophobicContact CD1-CB 3.9Å; Y105-F215 AromaticContact CD1-CD2 3.74Å; Y105-F215 HydrophobicContact CD1-CD2 3.74Å; Y105-F215 HydrophobicContact CD1-CG 4.29Å; Y105-F215 HydrophobicContact CD2-CB 4.25Å; Y105-F215 HydrophobicContact CE1-CB 4.47Å; Y105-F215 HydrophobicContact CE1-CD2 4.49Å; Y105-F215 HydrophobicContact CG-CB 3.77Å; Y105-F215 HydrophobicContact CG-CD2 4.23Å; V107-F215 HydrophobicContact CG2-CD2 4.49Å; V107-F215 HydrophobicContact CG2-CE2 4.31Å; F215-A226 CarbonylContact O-C 3.27Å; F215-A226 WeakPolarHBondContact O-CA 3.44Å; F215-V227 PolarHBondContact N-O 2.98Å; F215-V227 PolarHBondContact O-N 3.28Å; F215-S398 WeakPolarHBondContact CE1-O 3.36Å |
| 216 | G | 95.7 | Very high | 96.3 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 130.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A214 K225 L399 | A214-G216 PolarHBondContact O-N 2.74Å; G216-K225 CarbonylContact C-O 3.56Å; G216-K225 WeakPolarHBondContact CA-O 3.2Å; G216-L399 VanDerWaalsContact O-CD2 3.25Å; G216-L399 WeakPolarHBondContact O-CD2 3.44Å |
| 217 | S | 97.6 | Very high | 96.2 | Very high | 21 Ų | 21 | 33 Ų | 33 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 136.5 | 172.1 | 53.8 | 0 | 0 | 0 | 0 | 110.2 | L224 K225 | S217-L224 CarbonylContact O-C 3.5Å; S217-L224 WeakPolarHBondContact O-CA 3.41Å; S217-L224 WeakPolarHBondContact O-CG 3.35Å; S217-K225 PolarHBondContact N-O 3.32Å; S217-K225 PolarHBondContact O-N 3.27Å |
| 218 | F | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 134.3 | 179.4 | -71.7 | -80 | 0 | 0 | 0 | 110.8 | L224 F241 I243 L399 N400 L401 L404 | F218-L224 HydrophobicContact CD1-CB 4.27Å; F218-L224 HydrophobicContact CE1-CB 4.48Å; F218-F241 HydrophobicContact CE1-CB 4.17Å; F218-F241 AromaticContact CE1-CD1 3.44Å; F218-F241 HydrophobicContact CE1-CD1 3.44Å; F218-F241 VanDerWaalsContact CE1-CD1 3.44Å; F218-F241 AromaticContact CE1-CD2 3.94Å; F218-F241 HydrophobicContact CE1-CD2 3.94Å; F218-F241 AromaticContact CE1-CE1 3.75Å; F218-F241 HydrophobicContact CE1-CE1 3.75Å; F218-F241 HydrophobicContact CE1-CE2 4.27Å; F218-F241 AromaticContact CE1-CG 3.54Å; F218-F241 HydrophobicContact CE1-CG 3.54Å; F218-F241 HydrophobicContact CE1-CZ 4.16Å; F218-F241 HydrophobicContact CZ-CB 3.82Å; F218-F241 AromaticContact CZ-CD1 3.67Å; F218-F241 HydrophobicContact CZ-CD1 3.67Å; F218-F241 HydrophobicContact CZ-CD2 4.45Å; F218-F241 HydrophobicContact CZ-CE1 4.4Å; F218-F241 AromaticContact CZ-CG 3.7Å; F218-F241 HydrophobicContact CZ-CG 3.7Å; F218-I243 HydrophobicContact CE2-CD1 3.81Å; F218-I243 HydrophobicContact CZ-CD1 3.99Å; F218-L399 VanDerWaalsContact CD2-O 3.29Å; F218-L399 WeakPolarHBondContact CD2-O 3.44Å; F218-L399 PolarHBondContact N-O 2.85Å; F218-N400 WeakPolarHBondContact O-CB 3.2Å; F218-N400 PolarHBondContact O-ND2 3.42Å; F218-L401 HydrophobicContact CD2-CD2 3.72Å; F218-L401 HydrophobicContact CE2-CD2 3.53Å; F218-L404 HydrophobicContact CB-CD1 4.28Å; F218-L404 HydrophobicContact CB-CD2 4.5Å; F218-L404 HydrophobicContact CB-CG 4.26Å; F218-L404 HydrophobicContact CD1-CD1 3.6Å; F218-L404 HydrophobicContact CD1-CD2 4.48Å; F218-L404 HydrophobicContact CD1-CG 4.36Å; F218-L404 HydrophobicContact CD2-CD1 3.97Å; F218-L404 HydrophobicContact CE1-CD1 3.8Å; F218-L404 HydrophobicContact CE2-CD1 4.19Å; F218-L404 HydrophobicContact CG-CD1 3.68Å; F218-L404 HydrophobicContact CG-CG 4.19Å; F218-L404 HydrophobicContact CZ-CD1 4.1Å |
| 219 | V | 96.4 | Very high | 95.4 | Very high | 78 Ų | 78 | 31.5 Ų | 31.5 | 47% | 0.473 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -7.5 | 175.4 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | S223 K225 | V219-S223 PolarHBondContact N-O 2.94Å; V219-K225 HydrophobicContact CG1-CB 3.56Å; V219-K225 HydrophobicContact CG1-CD 4.49Å; V219-K225 HydrophobicContact CG2-CB 4.49Å |
| 220 | G | 94 | Very high | 95 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 21% | 0.206 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 180 | 178.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | S223 L404 | G220-S223 WeakPolarHBondContact CA-OG 3.34Å; G220-S223 PolarHBondContact N-OG 3.08Å; G220-S223 PolarHBondContact O-N 3.02Å; G220-S223 PolarHBondContact O-OG 3.18Å; G220-L404 WeakPolarHBondContact O-CD2 3.41Å |
| 221 | S | 93.4 | Very high | 94.7 | Very high | 26 Ų | 26 | 40.7 Ų | 40.7 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 141.5 | 163.3 | 34.3 | 0 | 0 | 0 | 0 | 110.7 | L65 E68 S223 Y444 | L65-S221 VanDerWaalsContact CD2-CB 3.44Å; E68-S221 PolarHBondContact OE1-OG 2.81Å; E68-S221 WeakPolarHBondContact OE2-CB 3.21Å; E68-S221 PolarHBondContact OE2-OG 2.87Å; S221-S223 PolarHBondContact O-N 2.83Å; S221-S223 PolarHBondContact O-OG 2.83Å; S221-Y444 WeakPolarHBondContact CB-OH 3.47Å |
| 222 | H | 96.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.023 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 13.9 | -178.6 | -63.5 | -84.8 | 0 | 0 | 0 | 117 | C69 H73 T237 S238 D239 Y444 | C69-H222 PolarHBondContact SG-NE2 2.91Å; H73-H222 AromaticContact CE1-CG 3.61Å; H73-H222 AromaticContact CE1-ND1 3.61Å; H73-H222 WeakPolarHBondContact NE2-CB 3.33Å; H73-H222 AromaticContact NE2-CG 3.66Å; H222-T237 CarbonylContact O-C 3.31Å; H222-T237 WeakPolarHBondContact O-CA 3.41Å; H222-T237 WeakPolarHBondContact O-CB 3.47Å; H222-S238 WeakPolarHBondContact CB-O 3.37Å; H222-S238 PolarHBondContact ND1-O 3.17Å; H222-S238 PolarHBondContact O-N 2.87Å; H222-D239 PolarHBondContact CE1-O 3.35Å; H222-D239 VanDerWaalsContact CE1-O 3.27Å; H222-D239 PolarHBondContact ND1-O 2.9Å; H222-Y444 AromaticContact CE1-CD1 3.63Å; H222-Y444 AromaticContact CE1-CD2 3.85Å; H222-Y444 AromaticContact CE1-CG 3.43Å; H222-Y444 VanDerWaalsContact CE1-CG 3.43Å; H222-Y444 AromaticContact NE2-CD1 3.35Å; H222-Y444 VanDerWaalsContact NE2-CD1 3.35Å; H222-Y444 WeakPolarHBondContact NE2-CD1 3.36Å; H222-Y444 AromaticContact NE2-CE1 3.55Å; H222-Y444 AromaticContact NE2-CG 3.64Å |
| 223 | S | 97.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 16% | 0.161 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.3 | -171.9 | 57.2 | 0 | 0 | 0 | 0 | 112.6 | V219 G220 S221 V236 | V219-S223 PolarHBondContact N-O 2.94Å; G220-S223 WeakPolarHBondContact CA-OG 3.34Å; G220-S223 PolarHBondContact N-OG 3.08Å; G220-S223 PolarHBondContact O-N 3.02Å; G220-S223 PolarHBondContact O-OG 3.18Å; S221-S223 PolarHBondContact O-N 2.83Å; S221-S223 PolarHBondContact O-OG 2.83Å; S223-V236 WeakPolarHBondContact CA-O 3.25Å |
| 224 | L | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.1 | -178.4 | 165.1 | 143 | 0 | 0 | 0 | 109.8 | V80 L103 S217 F218 A226 V235 V236 F241 | V80-L224 HydrophobicContact CG2-CD1 3.9Å; L103-L224 HydrophobicContact CD1-CD2 4.37Å; L103-L224 HydrophobicContact CD2-CD2 3.22Å; L103-L224 HydrophobicContact CD2-CG 4.48Å; L103-L224 HydrophobicContact CG-CD2 4.43Å; S217-L224 CarbonylContact O-C 3.5Å; S217-L224 WeakPolarHBondContact O-CA 3.41Å; S217-L224 WeakPolarHBondContact O-CG 3.35Å; F218-L224 HydrophobicContact CD1-CB 4.27Å; F218-L224 HydrophobicContact CE1-CB 4.48Å; L224-A226 HydrophobicContact CD2-CB 4.31Å; L224-V235 WeakPolarHBondContact O-CA 3.2Å; L224-V236 PolarHBondContact N-O 3.24Å; L224-V236 PolarHBondContact O-N 2.89Å; L224-F241 HydrophobicContact CB-CE1 3.94Å |
| 225 | K | 98 | Very high | 95.2 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.9 | 169 | -177 | 170 | 73.4 | 160.2 | 0 | 109.9 | G216 S217 V219 V227 E233 | G216-K225 CarbonylContact C-O 3.56Å; G216-K225 WeakPolarHBondContact CA-O 3.2Å; S217-K225 PolarHBondContact N-O 3.32Å; S217-K225 PolarHBondContact O-N 3.27Å; V219-K225 HydrophobicContact CG1-CB 3.56Å; V219-K225 HydrophobicContact CG1-CD 4.49Å; V219-K225 HydrophobicContact CG2-CB 4.49Å; K225-V227 HydrophobicContact CD-CG2 4.27Å; K225-V227 HydrophobicContact CG-CG2 4.02Å; K225-E233 HydrophobicContact CD-CB 4.34Å; K225-E233 HydrophobicContact CD-CG 4.37Å; K225-E233 WeakPolarHBondContact CD-OE2 3.41Å; K225-E233 WeakPolarHBondContact CE-OE1 3.48Å; K225-E233 HydrophobicContact CG-CB 4.44Å; K225-E233 IonicContact NZ-OE1 2.85Å; K225-E233 PolarHBondContact NZ-OE1 2.8Å; K225-E233 IonicContact NZ-OE2 3.32Å |
| 226 | A | 97.6 | Very high | 95.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 119.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L103 A214 F215 L224 E233 Q234 | L103-A226 HydrophobicContact CD2-CB 3.58Å; A214-A226 HydrophobicContact CB-CB 3.82Å; F215-A226 CarbonylContact O-C 3.27Å; F215-A226 WeakPolarHBondContact O-CA 3.44Å; L224-A226 HydrophobicContact CD2-CB 4.31Å; A226-E233 WeakPolarHBondContact O-CA 3.15Å; A226-Q234 HydrophobicContact CB-CG 3.86Å; A226-Q234 PolarHBondContact N-O 2.9Å; A226-Q234 PolarHBondContact O-N 2.8Å |
| 227 | V | 95.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.6 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | A214 F215 K225 K232 E233 | A214-V227 CarbonylContact C-O 3.5Å; A214-V227 VanDerWaalsContact CA-O 3.26Å; A214-V227 WeakPolarHBondContact CA-O 3.05Å; F215-V227 PolarHBondContact N-O 2.98Å; F215-V227 PolarHBondContact O-N 3.28Å; K225-V227 HydrophobicContact CD-CG2 4.27Å; K225-V227 HydrophobicContact CG-CG2 4.02Å; V227-K232 WeakPolarHBondContact CA-O 3.46Å; V227-E233 HydrophobicContact CG2-CG 4.11Å |
| 228 | D | 92.1 | Very high | 95.5 | Very high | 46 Ų | 46 | 53.1 Ų | 53.1 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 174.5 | 177.9 | 80.8 | 5.8 | 0 | 0 | 0 | 112.5 | A214 R230 G231 K232 | A214-D228 HydrophobicContact CB-CB 4.43Å; D228-R230 PolarHBondContact O-N 3.32Å; D228-R230 VanDerWaalsContact O-N 3.08Å; D228-R230 VanDerWaalsContact OD1-CA 3.27Å; D228-R230 WeakPolarHBondContact OD1-CA 3.42Å; D228-R230 VanDerWaalsContact OD1-CB 3.32Å; D228-R230 WeakPolarHBondContact OD1-CB 3.34Å; D228-R230 PolarHBondContact OD1-N 3.23Å; D228-G231 PolarHBondContact O-N 3Å; D228-G231 PolarHBondContact OD1-N 3.43Å; D228-G231 VanDerWaalsContact OD1-N 3.11Å; D228-K232 PolarHBondContact N-O 3.02Å; D228-K232 WeakPolarHBondContact OD1-CB 3.14Å; D228-K232 PolarHBondContact OD1-N 2.8Å |
| 229 | K | 86.4 | Confident | 95.5 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -16.3 | 177.9 | 69.2 | 177.9 | 179.7 | -179.1 | 0 | 115 | Y105 | Y105-K229 HydrophobicContact CE2-CB 4.34Š|
| 230 | R | 90.1 | Very high | 95.6 | Very high | 209 Ų | 209 | 51.2 Ų | 51.2 | 79% | 0.789 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1 | 177.4 | -60.9 | 179.6 | 172.7 | 179.8 | -1.5 | 111.3 | D228 K232 | D228-R230 PolarHBondContact O-N 3.32Å; D228-R230 VanDerWaalsContact O-N 3.08Å; D228-R230 VanDerWaalsContact OD1-CA 3.27Å; D228-R230 WeakPolarHBondContact OD1-CA 3.42Å; D228-R230 VanDerWaalsContact OD1-CB 3.32Å; D228-R230 WeakPolarHBondContact OD1-CB 3.34Å; D228-R230 PolarHBondContact OD1-N 3.23Å; R230-K232 VanDerWaalsContact C-N 3.27Å |
| 231 | G | 91.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 50.3 Ų | 50.3 | 47% | 0.474 | 25% | 0.253 | S | S | . | . | trans | 77.8 | 9.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D228 E233 | D228-G231 PolarHBondContact O-N 3Å; D228-G231 PolarHBondContact OD1-N 3.43Å; D228-G231 VanDerWaalsContact OD1-N 3.11Å; G231-E233 PolarHBondContact O-N 3.38Å | ||
| 232 | K | 95 | Very high | 96 | Very high | 145 Ų | 145 | 49.1 Ų | 49.1 | 63% | 0.63 | 25% | 0.245 | S | C | * | . | trans | -71.4 | 123.2 | 175.9 | -175.1 | -178.9 | 177.9 | 179.9 | 0 | 108.9 | V227 D228 R230 | V227-K232 WeakPolarHBondContact CA-O 3.46Å; D228-K232 PolarHBondContact N-O 3.02Å; D228-K232 WeakPolarHBondContact OD1-CB 3.14Å; D228-K232 PolarHBondContact OD1-N 2.8Å; R230-K232 VanDerWaalsContact C-N 3.27Å | ||
| 233 | E | 96.9 | Very high | 96.1 | Very high | 111 Ų | 111 | 48.9 Ų | 48.9 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 145.9 | 178.1 | -50.6 | -161.9 | 141.6 | 0 | 0 | 111.2 | K225 A226 V227 G231 | K225-E233 HydrophobicContact CD-CB 4.34Å; K225-E233 HydrophobicContact CD-CG 4.37Å; K225-E233 WeakPolarHBondContact CD-OE2 3.41Å; K225-E233 WeakPolarHBondContact CE-OE1 3.48Å; K225-E233 HydrophobicContact CG-CB 4.44Å; K225-E233 IonicContact NZ-OE1 2.85Å; K225-E233 PolarHBondContact NZ-OE1 2.8Å; K225-E233 IonicContact NZ-OE2 3.32Å; A226-E233 WeakPolarHBondContact O-CA 3.15Å; V227-E233 HydrophobicContact CG2-CG 4.11Å; G231-E233 PolarHBondContact O-N 3.38Å |
| 234 | Q | 97.5 | Very high | 96.2 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 144.1 | 164.8 | 62.3 | 179.6 | 11.2 | 0 | 0 | 109.6 | L212 A226 V236 | L212-Q234 VanDerWaalsContact CD2-NE2 3.26Å; A226-Q234 HydrophobicContact CB-CG 3.86Å; A226-Q234 PolarHBondContact N-O 2.9Å; A226-Q234 PolarHBondContact O-N 2.8Å; Q234-V236 HydrophobicContact CG-CG2 4.46Å |
| 235 | V | 98 | Very high | 96.1 | Very high | 95 Ų | 95 | 50.7 Ų | 50.7 | 58% | 0.576 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 134.8 | 172.8 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | L224 | L224-V235 WeakPolarHBondContact O-CA 3.2Å |
| 236 | V | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 130 | 179 | 175.7 | 0 | 0 | 0 | 0 | 108.5 | Y75 V78 L212 S223 L224 Q234 | Y75-V236 HydrophobicContact CD2-CG1 3.48Å; Y75-V236 VanDerWaalsContact CD2-CG1 3.48Å; Y75-V236 HydrophobicContact CE2-CG1 3.52Å; V78-V236 HydrophobicContact CG2-CG1 3.71Å; L212-V236 HydrophobicContact CD1-CG2 4.04Å; S223-V236 WeakPolarHBondContact CA-O 3.25Å; L224-V236 PolarHBondContact N-O 3.24Å; L224-V236 PolarHBondContact O-N 2.89Å; Q234-V236 HydrophobicContact CG-CG2 4.46Å |
| 237 | T | 98.3 | Very high | 95.8 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 29% | 0.288 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 147.2 | 176.2 | 62.5 | 0 | 0 | 0 | 0 | 112 | K74 Y75 H222 | K74-T237 PolarHBondContact N-OG1 3.27Å; K74-T237 VanDerWaalsContact N-OG1 3.08Å; Y75-T237 PolarHBondContact N-O 3.27Å; H222-T237 CarbonylContact O-C 3.31Å; H222-T237 WeakPolarHBondContact O-CA 3.41Å; H222-T237 WeakPolarHBondContact O-CB 3.47Å |
| 238 | S | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -153.7 | 150.2 | 177.1 | -161.5 | 0 | 0 | 0 | 0 | 114.3 | Y75 L77 V78 H222 R240 F241 | Y75-S238 CarbonylContact O-C 3.56Å; Y75-S238 WeakPolarHBondContact O-CA 3.27Å; Y75-S238 WeakPolarHBondContact O-CB 3.38Å; Y75-S238 PolarHBondContact O-OG 3.21Å; L77-S238 WeakPolarHBondContact CA-OG 3.34Å; L77-S238 PolarHBondContact N-OG 3.2Å; V78-S238 VanDerWaalsContact CG2-CB 3.47Å; V78-S238 PolarHBondContact N-OG 3.2Å; H222-S238 WeakPolarHBondContact CB-O 3.37Å; H222-S238 PolarHBondContact ND1-O 3.17Å; H222-S238 PolarHBondContact O-N 2.87Å; S238-R240 VanDerWaalsContact C-N 3.27Å; S238-R240 PolarHBondContact O-N 2.84Å; S238-R240 PolarHBondContact OG-O 3.29Å; S238-R240 VanDerWaalsContact OG-O 3.11Å; S238-F241 WeakPolarHBondContact O-CE2 3.22Å |
| 239 | D | 97.6 | Very high | 95.8 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -61 | -36.6 | 169.4 | -70.9 | -29 | 0 | 0 | 0 | 111.9 | K47 H73 Y75 H222 Y444 | K47-D239 IonicContact NZ-OD1 2.86Å; K47-D239 PolarHBondContact NZ-OD1 2.95Å; H73-D239 IonicContact CE1-OD1 3.76Å; H73-D239 IonicContact CG-OD1 3.71Å; H73-D239 IonicContact ND1-OD1 2.78Å; H73-D239 PolarHBondContact ND1-OD1 3.26Å; Y75-D239 PolarHBondContact O-N 3.47Å; H222-D239 PolarHBondContact CE1-O 3.35Å; H222-D239 VanDerWaalsContact CE1-O 3.27Å; H222-D239 PolarHBondContact ND1-O 2.9Å; D239-Y444 WeakPolarHBondContact O-CB 3.49Å |
| 240 | R | 97.7 | Very high | 96 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 6% | 0.06 | 22% | 0.224 | C | C | . | . | trans | -140.6 | 151 | -176.3 | -64.1 | 179.4 | -179.7 | 101 | 15.7 | 113 | K47 D49 L77 V78 S238 Y444 Y446 | K47-R240 PolarHBondContact O-NH2 3.23Å; D49-R240 IonicContact OD1-CZ 3.23Å; D49-R240 IonicContact OD1-NE 2.92Å; D49-R240 PolarHBondContact OD1-NE 3.47Å; D49-R240 IonicContact OD1-NH2 2.75Å; D49-R240 IonicContact OD2-CZ 2.7Å; D49-R240 VanDerWaalsContact OD2-CZ 3.23Å; D49-R240 IonicContact OD2-NE 2.64Å; D49-R240 PolarHBondContact OD2-NE 2.97Å; D49-R240 IonicContact OD2-NH2 2.79Å; D49-R240 PolarHBondContact OD2-NH2 3.42Å; L77-R240 HydrophobicContact CD1-CB 3.96Å; V78-R240 PolarHBondContact N-O 2.76Å; S238-R240 VanDerWaalsContact C-N 3.27Å; S238-R240 PolarHBondContact O-N 2.84Å; S238-R240 PolarHBondContact OG-O 3.29Å; S238-R240 VanDerWaalsContact OG-O 3.11Å; R240-Y444 WeakPolarHBondContact CA-O 3.37Å; R240-Y446 HydrophobicContact CG-CE2 4.49Å | ||
| 241 | F | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 131.1 | 174.5 | -62.8 | -96.3 | 0 | 0 | 0 | 111 | V78 F218 L224 S238 Y444 V445 Y446 | V78-F241 HydrophobicContact CB-CD1 3.81Å; V78-F241 HydrophobicContact CB-CE1 3.85Å; V78-F241 HydrophobicContact CG1-CD1 3.92Å; V78-F241 HydrophobicContact CG1-CE1 4.01Å; V78-F241 HydrophobicContact CG2-CE1 4.34Å; V78-F241 WeakPolarHBondContact O-CA 3.42Å; F218-F241 HydrophobicContact CE1-CB 4.17Å; F218-F241 AromaticContact CE1-CD1 3.44Å; F218-F241 HydrophobicContact CE1-CD1 3.44Å; F218-F241 VanDerWaalsContact CE1-CD1 3.44Å; F218-F241 AromaticContact CE1-CD2 3.94Å; F218-F241 HydrophobicContact CE1-CD2 3.94Å; F218-F241 AromaticContact CE1-CE1 3.75Å; F218-F241 HydrophobicContact CE1-CE1 3.75Å; F218-F241 HydrophobicContact CE1-CE2 4.27Å; F218-F241 AromaticContact CE1-CG 3.54Å; F218-F241 HydrophobicContact CE1-CG 3.54Å; F218-F241 HydrophobicContact CE1-CZ 4.16Å; F218-F241 HydrophobicContact CZ-CB 3.82Å; F218-F241 AromaticContact CZ-CD1 3.67Å; F218-F241 HydrophobicContact CZ-CD1 3.67Å; F218-F241 HydrophobicContact CZ-CD2 4.45Å; F218-F241 HydrophobicContact CZ-CE1 4.4Å; F218-F241 AromaticContact CZ-CG 3.7Å; F218-F241 HydrophobicContact CZ-CG 3.7Å; L224-F241 HydrophobicContact CB-CE1 3.94Å; S238-F241 WeakPolarHBondContact O-CE2 3.22Å; F241-Y444 HydrophobicContact CD2-CD2 4.18Å; F241-Y444 PolarHBondContact N-O 2.77Å; F241-V445 WeakPolarHBondContact O-CA 3.16Å; F241-Y446 PolarHBondContact O-N 3.4Å |
| 242 | L | 98.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 115.1 | 171.6 | 176.3 | 62.2 | 0 | 0 | 0 | 109.8 | L77 V78 V79 V80 A89 I448 L469 | L77-L242 HydrophobicContact CD1-CB 4.05Å; V78-L242 PolarHBondContact O-N 3.16Å; V79-L242 WeakPolarHBondContact CA-O 3.48Å; V79-L242 HydrophobicContact CG1-CB 4.46Å; V79-L242 HydrophobicContact CG1-CD2 4.19Å; V79-L242 HydrophobicContact CG1-CG 4.39Å; V79-L242 HydrophobicContact CG2-CB 4.24Å; V79-L242 HydrophobicContact CG2-CD2 4.16Å; V80-L242 PolarHBondContact N-O 3.38Å; A89-L242 HydrophobicContact CB-CD2 3.3Å; L242-I448 HydrophobicContact CD1-CB 4.43Å; L242-I448 HydrophobicContact CD1-CD1 4.26Å; L242-I448 HydrophobicContact CD1-CG1 3.92Å; L242-I448 HydrophobicContact CD1-CG2 3.99Å; L242-I448 HydrophobicContact CD2-CD1 3.86Å; L242-I448 HydrophobicContact CD2-CG1 4.34Å; L242-I448 HydrophobicContact CG-CD1 4.41Å; L242-I448 HydrophobicContact CG-CG1 4.36Å; L242-L469 HydrophobicContact CD1-CD2 3.73Å |
| 243 | I | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 112.1 | 174.8 | -48 | -54.3 | 0 | 0 | 0 | 108.7 | V80 F218 T245 L399 L401 V445 Y446 A447 I448 V451 | V80-I243 HydrophobicContact CB-CD1 4.27Å; V80-I243 HydrophobicContact CG2-CD1 4.23Å; F218-I243 HydrophobicContact CE2-CD1 3.81Å; F218-I243 HydrophobicContact CZ-CD1 3.99Å; I243-T245 HydrophobicContact CG2-CG2 4.34Å; I243-L399 HydrophobicContact CD1-CD1 4.5Å; I243-L399 HydrophobicContact CG2-CD1 3.78Å; I243-L401 HydrophobicContact CD1-CD2 4.45Å; I243-V445 HydrophobicContact CG1-CG1 4.01Å; I243-Y446 PolarHBondContact N-O 3.33Å; I243-A447 HydrophobicContact CB-CB 4.3Å; I243-A447 VanDerWaalsContact O-CA 3.3Å; I243-A447 WeakPolarHBondContact O-CA 3.37Å; I243-I448 PolarHBondContact O-N 3.47Å; I243-I448 VanDerWaalsContact O-N 3.14Å; I243-V451 HydrophobicContact CG2-CG1 4.18Å; I243-V451 HydrophobicContact CG2-CG2 4.15Å; I243-V451 WeakPolarHBondContact O-CG1 3.48Å |
| 244 | A | 97.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 28.4 Ų | 28.4 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | trans | -134.6 | 38.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | V79 V80 G246 I448 | V79-A244 HydrophobicContact CG1-CB 4.34Å; V80-A244 CarbonylContact O-C 3.59Å; V80-A244 WeakPolarHBondContact O-CA 3.48Å; V80-A244 PolarHBondContact O-N 3.27Å; A244-G246 VanDerWaalsContact C-N 3.31Å; A244-G246 PolarHBondContact O-N 3.17Å; A244-I448 HydrophobicContact CB-CD1 4.46Å; A244-I448 HydrophobicContact CB-CG1 3.99Å | ||
| 245 | T | 95.8 | Very high | 93.6 | Very high | 48 Ų | 48 | 29 Ų | 29 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | trans | -76.6 | -11.7 | -171.7 | 49.1 | 0 | 0 | 0 | 0 | 114.8 | V80 I243 L399 | V80-T245 HydrophobicContact CG1-CG2 3.84Å; V80-T245 WeakPolarHBondContact O-CG2 3.18Å; V80-T245 PolarHBondContact O-N 3.27Å; I243-T245 HydrophobicContact CG2-CG2 4.34Å; T245-L399 HydrophobicContact CG2-CD1 3.98Å; T245-L399 HydrophobicContact CG2-CD2 4.27Å | ||
| 246 | G | 94.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 24.6 Ų | 24.6 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | trans | 62.7 | -150.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A244 | A244-G246 VanDerWaalsContact C-N 3.31Å; A244-G246 PolarHBondContact O-N 3.17Å | ||
| 247 | L | 94.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | trans | -128.8 | 155.1 | -178.1 | -51.1 | 173.9 | 0 | 0 | 0 | 112.2 | R392 D393 A394 D450 E457 | L247-R392 HydrophobicContact CB-CB 3.53Å; L247-R392 HydrophobicContact CD1-CB 4.02Å; L247-R392 HydrophobicContact CG-CB 4.42Å; L247-R392 PolarHBondContact O-NE 3.49Å; L247-R392 PolarHBondContact O-NH2 3.21Å; L247-D393 WeakPolarHBondContact CA-O 3.32Å; L247-A394 VanDerWaalsContact CD2-CA 3.49Å; L247-A394 HydrophobicContact CD2-CB 3.63Å; L247-D450 HydrophobicContact CD1-CB 3.79Å; L247-D450 HydrophobicContact CD2-CB 4.28Å; L247-D450 HydrophobicContact CG-CB 3.56Å; L247-E457 HydrophobicContact CD1-CG 4.29Å; L247-E457 WeakPolarHBondContact CD1-OE1 3.45Å | ||
| 248 | R | 93.7 | Very high | 92.4 | Very high | 39 Ų | 39 | 28.8 Ų | 28.8 | 15% | 0.147 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 151.2 | 173.3 | -65 | -53.7 | -62.2 | -88.5 | -0.3 | 112.6 | V107 D265 R392 D393 L395 | V107-R248 PolarHBondContact O-NH1 3.4Å; V107-R248 PolarHBondContact O-NH2 3.23Å; R248-D265 IonicContact CZ-OD2 2.71Å; R248-D265 VanDerWaalsContact CZ-OD2 3.23Å; R248-D265 IonicContact NE-OD2 2.91Å; R248-D265 PolarHBondContact NE-OD2 3.34Å; R248-D265 IonicContact NH2-OD2 3.55Å; R248-D265 PolarHBondContact NH2-OD2 3.01Å; R248-R392 CarbonylContact O-C 3.41Å; R248-R392 WeakPolarHBondContact O-CA 3.31Å; R248-R392 WeakPolarHBondContact O-CB 3.34Å; R248-D393 PolarHBondContact N-O 2.79Å; R248-D393 PolarHBondContact O-N 3.31Å; R248-L395 HydrophobicContact CB-CD1 3.85Å; R248-L395 HydrophobicContact CB-CG 4.08Å; R248-L395 HydrophobicContact CG-CD1 3.35Å; R248-L395 HydrophobicContact CG-CG 3.89Å |
| 249 | P | 93.9 | Very high | 92.2 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 141.8 | -179.7 | -21.2 | 30.7 | 0 | 0 | 0 | 112.7 | Y251 T263 D265 | P249-Y251 HydrophobicContact CB-CE2 4.44Å; P249-T263 HydrophobicContact CB-CG2 3.5Å; P249-T263 HydrophobicContact CG-CG2 4.1Å; P249-T263 WeakPolarHBondContact CG-OG1 3.14Å; P249-D265 WeakPolarHBondContact CD-OD2 3.47Å; P249-D265 HydrophobicContact CG-CB 4.04Å; P249-D265 WeakPolarHBondContact CG-OD1 3.49Å; P249-D265 WeakPolarHBondContact CG-OD2 3.47Å |
| 250 | R | 91 | Very high | 92 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | trans | -86.8 | 139 | 173 | -177.4 | -176.4 | -68.7 | 163.3 | -4.5 | 110.7 | I390 G391 D393 F426 | R250-I390 HydrophobicContact CB-CD1 4.29Å; R250-I390 HydrophobicContact CB-CG1 4.08Å; R250-I390 HydrophobicContact CG-CD1 3.89Å; R250-I390 HydrophobicContact CG-CG1 4.21Å; R250-I390 PolarHBondContact NH1-O 2.81Å; R250-I390 WeakPolarHBondContact O-CG1 3.4Å; R250-G391 WeakPolarHBondContact CB-O 3.4Å; R250-G391 PolarHBondContact N-O 2.68Å; R250-D393 WeakPolarHBondContact CB-OD2 3.27Å; R250-D393 WeakPolarHBondContact CG-OD2 3.43Å; R250-D393 IonicContact CZ-OD1 2.81Å; R250-D393 IonicContact CZ-OD2 3.06Å; R250-D393 IonicContact NE-OD1 4Å; R250-D393 PolarHBondContact NE-OD1 3Å; R250-D393 IonicContact NE-OD2 3.46Å; R250-D393 PolarHBondContact NE-OD2 3.39Å; R250-D393 IonicContact NH2-OD1 2.68Å; R250-D393 PolarHBondContact NH2-OD1 2.93Å; R250-D393 IonicContact NH2-OD2 3.86Å; R250-F426 VanDerWaalsContact CD-CE2 3.48Å; R250-F426 VanDerWaalsContact CD-CZ 3.47Å; R250-F426 HydrophobicContact CG-CD1 3.77Å; R250-F426 HydrophobicContact CG-CD2 4.43Å; R250-F426 HydrophobicContact CG-CE1 3.35Å; R250-F426 HydrophobicContact CG-CE2 4.08Å; R250-F426 HydrophobicContact CG-CG 4.3Å; R250-F426 HydrophobicContact CG-CZ 3.51Å; R250-F426 VanDerWaalsContact NE-CD1 3.33Å | ||
| 251 | Y | 88.4 | Confident | 91.9 | Very high | 20 Ų | 20 | 36.1 Ų | 36.1 | 8% | 0.078 | 18% | 0.182 | C | C | . | . | trans | -106.1 | 147.4 | 173.7 | -73.2 | -98.8 | 0 | 0 | 0 | 110.4 | P110 P249 A257 R258 T263 L388 | P110-Y251 VanDerWaalsContact CD-CZ 3.42Å; P110-Y251 VanDerWaalsContact CD-OH 3.23Å; P110-Y251 WeakPolarHBondContact CD-OH 3.42Å; P110-Y251 HydrophobicContact CG-CD1 4.35Å; P110-Y251 HydrophobicContact CG-CD2 4.42Å; P110-Y251 HydrophobicContact CG-CE1 3.86Å; P110-Y251 HydrophobicContact CG-CE2 3.95Å; P249-Y251 HydrophobicContact CB-CE2 4.44Å; Y251-A257 WeakPolarHBondContact CD1-O 3.15Å; Y251-R258 HydrophobicContact CD1-CG 4.05Å; Y251-R258 HydrophobicContact CG-CG 4.16Å; Y251-T263 HydrophobicContact CE1-CG2 3.96Å; Y251-T263 HydrophobicContact CE2-CG2 3.93Å; Y251-T263 VanDerWaalsContact CZ-CG2 3.47Å; Y251-T263 VanDerWaalsContact OH-CG2 3.27Å; Y251-T263 WeakPolarHBondContact OH-CG2 3.39Å; Y251-L388 HydrophobicContact CD1-CD1 3.79Å; Y251-L388 HydrophobicContact CE1-CD1 4.34Å; Y251-L388 HydrophobicContact CG-CD1 4.43Å | ||
| 252 | L | 86 | Confident | 91.8 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | trans | -70.1 | 144.3 | 170.3 | -66.4 | 170.7 | 0 | 0 | 0 | 109.6 | I254 A257 V280 L354 L388 I390 | L252-I254 VanDerWaalsContact C-N 3.25Å; L252-I254 HydrophobicContact CB-CD1 4.19Å; L252-I254 HydrophobicContact CB-CG1 3.88Å; L252-I254 HydrophobicContact CB-CG2 4.35Å; L252-I254 HydrophobicContact CD1-CD1 3.86Å; L252-I254 HydrophobicContact CD1-CG1 4.48Å; L252-I254 PolarHBondContact O-N 2.87Å; L252-A257 HydrophobicContact CB-CB 3.8Å; L252-A257 WeakPolarHBondContact O-CB 3.47Å; L252-V280 HydrophobicContact CD1-CG1 4.44Å; L252-L354 HydrophobicContact CD1-CD2 3.55Å; L252-L388 HydrophobicContact CD1-CD2 3.99Å; L252-L388 HydrophobicContact CG-CD2 4.42Å; L252-I390 HydrophobicContact CD2-CD1 3.55Å; L252-I390 HydrophobicContact CG-CD1 3.75Å | ||
| 253 | N | 82.2 | Confident | 91.7 | Very high | 118 Ų | 118 | 36.6 Ų | 36.6 | 63% | 0.631 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -89.8 | 63.8 | 172.5 | -167.7 | 24.6 | 0 | 0 | 0 | 110 | H352 | N253-H352 PolarHBondContact O-CE1 3Š|
| 254 | I | 83.8 | Confident | 91.6 | Very high | 22 Ų | 22 | 37 Ų | 37 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -134.6 | 150.2 | 178.3 | 68.5 | 176 | 0 | 0 | 0 | 108.8 | L252 G256 A257 H352 L354 I356 | L252-I254 VanDerWaalsContact C-N 3.25Å; L252-I254 HydrophobicContact CB-CD1 4.19Å; L252-I254 HydrophobicContact CB-CG1 3.88Å; L252-I254 HydrophobicContact CB-CG2 4.35Å; L252-I254 HydrophobicContact CD1-CD1 3.86Å; L252-I254 HydrophobicContact CD1-CG1 4.48Å; L252-I254 PolarHBondContact O-N 2.87Å; I254-G256 PolarHBondContact O-N 3.09Å; I254-A257 HydrophobicContact CD1-CB 4.2Å; I254-A257 HydrophobicContact CG1-CB 3.49Å; I254-A257 VanDerWaalsContact CG1-CB 3.49Å; I254-A257 WeakPolarHBondContact O-CB 3.37Å; I254-A257 PolarHBondContact O-N 3.29Å; I254-H352 HydrophobicContact CB-CB 4.34Å; I254-H352 HydrophobicContact CG2-CB 3.82Å; I254-H352 WeakPolarHBondContact CG2-ND1 3.43Å; I254-L354 HydrophobicContact CD1-CB 3.93Å; I254-L354 HydrophobicContact CD1-CD2 3.83Å; I254-L354 HydrophobicContact CD1-CG 3.85Å; I254-L354 VanDerWaalsContact CD1-O 3.25Å; I254-L354 WeakPolarHBondContact CD1-O 3.33Å; I254-I356 HydrophobicContact CD1-CD1 4.12Å; I254-I356 HydrophobicContact CD1-CG1 4.25Å |
| 255 | P | 81.1 | Confident | 91.5 | Very high | 85 Ų | 85 | 36.4 Ų | 36.4 | 55% | 0.552 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 134.8 | 172 | -25.5 | 34.7 | 0 | 0 | 0 | 112 | A257 H352 | P255-A257 VanDerWaalsContact C-N 3.28Å; P255-A257 PolarHBondContact O-N 3.04Å; P255-H352 VanDerWaalsContact CD-CD2 3.49Å; P255-H352 WeakPolarHBondContact CD-CD2 3.44Å |
| 256 | G | 87.8 | Confident | 91.6 | Very high | 4 Ų | 4 | 34.2 Ų | 34.2 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -16.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I254 E259 Y260 C261 | I254-G256 PolarHBondContact O-N 3.09Å; G256-E259 VanDerWaalsContact C-OE2 3.25Å; G256-E259 WeakPolarHBondContact CA-OE2 3.33Å; G256-E259 PolarHBondContact N-OE2 3.46Å; G256-Y260 VanDerWaalsContact CA-CD2 3.43Å; G256-Y260 WeakPolarHBondContact O-CB 3.29Å; G256-Y260 PolarHBondContact O-N 3.01Å; G256-C261 PolarHBondContact O-N 2.96Å |
| 257 | A | 89.4 | Confident | 91.7 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -37.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y251 L252 I254 P255 E259 C261 L388 | Y251-A257 WeakPolarHBondContact CD1-O 3.15Å; L252-A257 HydrophobicContact CB-CB 3.8Å; L252-A257 WeakPolarHBondContact O-CB 3.47Å; I254-A257 HydrophobicContact CD1-CB 4.2Å; I254-A257 HydrophobicContact CG1-CB 3.49Å; I254-A257 VanDerWaalsContact CG1-CB 3.49Å; I254-A257 WeakPolarHBondContact O-CB 3.37Å; I254-A257 PolarHBondContact O-N 3.29Å; P255-A257 VanDerWaalsContact C-N 3.28Å; P255-A257 PolarHBondContact O-N 3.04Å; A257-E259 PolarHBondContact N-OE2 3.49Å; A257-C261 VanDerWaalsContact O-CB 3.25Å; A257-C261 WeakPolarHBondContact O-CB 3.37Å; A257-L388 HydrophobicContact CB-CD1 4.3Å |
| 258 | R | 91.6 | Very high | 91.8 | Very high | 135 Ų | 135 | 33.6 Ų | 33.6 | 51% | 0.509 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -28.9 | 177.8 | -76.5 | -178.2 | 170.7 | -89.1 | 2.5 | 112 | P110 Y251 | P110-R258 WeakPolarHBondContact CB-O 3.42Å; Y251-R258 HydrophobicContact CD1-CG 4.05Å; Y251-R258 HydrophobicContact CG-CG 4.16Å |
| 259 | E | 92.3 | Very high | 91.8 | Very high | 114 Ų | 114 | 33.9 Ų | 33.9 | 53% | 0.533 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -38.6 | -172.8 | -59.3 | 77.4 | -172.4 | 0 | 0 | 111.9 | G256 A257 | G256-E259 VanDerWaalsContact C-OE2 3.25Å; G256-E259 WeakPolarHBondContact CA-OE2 3.33Å; G256-E259 PolarHBondContact N-OE2 3.46Å; A257-E259 PolarHBondContact N-OE2 3.49Å |
| 260 | Y | 94.1 | Very high | 91.9 | Very high | 80 Ų | 80 | 33.8 Ų | 33.8 | 31% | 0.314 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -22.5 | -168.8 | -48.6 | -41.7 | 0 | 0 | 0 | 114.3 | G256 R358 L367 | G256-Y260 VanDerWaalsContact CA-CD2 3.43Å; G256-Y260 WeakPolarHBondContact O-CB 3.29Å; G256-Y260 PolarHBondContact O-N 3.01Å; Y260-R358 HydrophobicContact CD1-CB 4.22Å; Y260-R358 HydrophobicContact CD2-CB 4.14Å; Y260-R358 HydrophobicContact CE1-CB 4.15Å; Y260-R358 HydrophobicContact CE2-CB 4.05Å; Y260-R358 HydrophobicContact CG-CB 4.24Å; Y260-L367 HydrophobicContact CG-CD2 4.26Å |
| 261 | C | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -87.7 | 155.1 | -179 | -53 | 0 | 0 | 0 | 0 | 112.1 | G256 A257 I356 V386 L388 | G256-C261 PolarHBondContact O-N 2.96Å; A257-C261 VanDerWaalsContact O-CB 3.25Å; A257-C261 WeakPolarHBondContact O-CB 3.37Å; C261-I356 WeakPolarHBondContact SG-CD1 3.47Å; C261-V386 HydrophobicContact CB-CB 4.32Å; C261-V386 HydrophobicContact CB-CG1 4.38Å; C261-V386 WeakPolarHBondContact CB-O 3.27Å; C261-L388 HydrophobicContact CB-CD1 3.81Å; C261-L388 HydrophobicContact CB-CD2 4.35Å; C261-L388 HydrophobicContact CB-CG 3.76Å | ||
| 262 | I | 96.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 172.4 | 174.8 | 70.3 | 166.8 | 0 | 0 | 0 | 110.6 | V111 D266 L267 L270 T385 V386 L387 L388 | V111-I262 HydrophobicContact CG2-CG2 4.46Å; I262-D266 HydrophobicContact CB-CB 3.85Å; I262-D266 HydrophobicContact CG2-CB 4.28Å; I262-L267 HydrophobicContact CD1-CB 4.33Å; I262-L267 HydrophobicContact CD1-CD1 4.26Å; I262-L270 HydrophobicContact CD1-CD2 4.31Å; I262-T385 HydrophobicContact CD1-CG2 3.49Å; I262-T385 VanDerWaalsContact CD1-CG2 3.49Å; I262-T385 HydrophobicContact CG1-CG2 3.7Å; I262-V386 PolarHBondContact N-O 2.6Å; I262-L387 HydrophobicContact CD1-CD1 4.45Å; I262-L387 HydrophobicContact CG1-CD1 4.1Å; I262-L387 CarbonylContact O-C 3.46Å; I262-L387 WeakPolarHBondContact O-CA 3.01Å; I262-L388 PolarHBondContact O-N 3.06Å |
| 263 | T | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | -179.8 | 174.6 | 64.8 | 0 | 0 | 0 | 0 | 110 | P249 Y251 D265 D266 L267 L387 L388 | P249-T263 HydrophobicContact CB-CG2 3.5Å; P249-T263 HydrophobicContact CG-CG2 4.1Å; P249-T263 WeakPolarHBondContact CG-OG1 3.14Å; Y251-T263 HydrophobicContact CE1-CG2 3.96Å; Y251-T263 HydrophobicContact CE2-CG2 3.93Å; Y251-T263 VanDerWaalsContact CZ-CG2 3.47Å; Y251-T263 VanDerWaalsContact OH-CG2 3.27Å; Y251-T263 WeakPolarHBondContact OH-CG2 3.39Å; T263-D265 PolarHBondContact O-N 3.44Å; T263-D265 VanDerWaalsContact O-N 3.17Å; T263-D265 WeakPolarHBondContact OG1-CB 3.37Å; T263-D265 PolarHBondContact OG1-N 2.95Å; T263-D266 PolarHBondContact N-OD2 2.93Å; T263-D266 PolarHBondContact O-N 3.42Å; T263-D266 PolarHBondContact OG1-OD2 2.67Å; T263-L267 PolarHBondContact O-N 3.14Å; T263-L267 VanDerWaalsContact O-N 3.1Å; T263-L387 WeakPolarHBondContact O-CD1 3.21Å; T263-L388 HydrophobicContact CG2-CB 4.19Å |
| 264 | S | 96.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 6% | 0.056 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.1 | -25.9 | 171.3 | 66.9 | 0 | 0 | 0 | 0 | 112.2 | D266 F268 R392 | S264-D266 PolarHBondContact O-N 3.25Å; S264-F268 WeakPolarHBondContact O-CD2 3.4Å; S264-F268 VanDerWaalsContact O-CE2 3.28Å; S264-F268 WeakPolarHBondContact O-CE2 3.41Å; S264-R392 PolarHBondContact OG-NH1 2.93Å |
| 265 | D | 95.8 | Very high | 94 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -20.1 | 176 | -74.1 | 20.7 | 0 | 0 | 0 | 112.4 | T113 W115 V130 R248 P249 T263 R392 | T113-D265 WeakPolarHBondContact CG2-O 3.33Å; W115-D265 HydrophobicContact CH2-CB 4.45Å; W115-D265 WeakPolarHBondContact CH2-OD2 3.25Å; W115-D265 HydrophobicContact CZ3-CB 4.05Å; V130-D265 WeakPolarHBondContact CG1-O 3.44Å; R248-D265 IonicContact CZ-OD2 2.71Å; R248-D265 VanDerWaalsContact CZ-OD2 3.23Å; R248-D265 IonicContact NE-OD2 2.91Å; R248-D265 PolarHBondContact NE-OD2 3.34Å; R248-D265 IonicContact NH2-OD2 3.55Å; R248-D265 PolarHBondContact NH2-OD2 3.01Å; P249-D265 WeakPolarHBondContact CD-OD2 3.47Å; P249-D265 HydrophobicContact CG-CB 4.04Å; P249-D265 WeakPolarHBondContact CG-OD1 3.49Å; P249-D265 WeakPolarHBondContact CG-OD2 3.47Å; T263-D265 PolarHBondContact O-N 3.44Å; T263-D265 VanDerWaalsContact O-N 3.17Å; T263-D265 WeakPolarHBondContact OG1-CB 3.37Å; T263-D265 PolarHBondContact OG1-N 2.95Å; D265-R392 IonicContact OD1-CZ 2.75Å; D265-R392 IonicContact OD1-NH1 3.97Å; D265-R392 PolarHBondContact OD1-NH1 3.1Å; D265-R392 IonicContact OD1-NH2 3.03Å; D265-R392 PolarHBondContact OD1-NH2 3.31Å; D265-R392 IonicContact OD2-NH2 3.22Å |
| 266 | D | 96.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -107 | -40 | -176.3 | -50.6 | -70.7 | 0 | 0 | 0 | 112.4 | S109 V111 T113 I262 T263 S264 F268 S269 L270 | S109-D266 VanDerWaalsContact CB-OD1 3.27Å; S109-D266 WeakPolarHBondContact CB-OD1 3.09Å; S109-D266 PolarHBondContact OG-OD1 2.98Å; V111-D266 HydrophobicContact CG2-CB 4.43Å; V111-D266 WeakPolarHBondContact CG2-OD1 3.36Å; T113-D266 WeakPolarHBondContact CB-OD1 3.06Å; T113-D266 PolarHBondContact OG1-OD1 2.99Å; I262-D266 HydrophobicContact CB-CB 3.85Å; I262-D266 HydrophobicContact CG2-CB 4.28Å; T263-D266 PolarHBondContact N-OD2 2.93Å; T263-D266 PolarHBondContact O-N 3.42Å; T263-D266 PolarHBondContact OG1-OD2 2.67Å; S264-D266 PolarHBondContact O-N 3.25Å; D266-F268 VanDerWaalsContact C-N 3.32Å; D266-F268 PolarHBondContact O-N 3.17Å; D266-S269 PolarHBondContact O-N 2.81Å; D266-S269 PolarHBondContact O-OG 3.04Å; D266-L270 PolarHBondContact O-N 3.16Å |
| 267 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55 | -43.1 | -170.4 | 179.9 | 63.5 | 0 | 0 | 0 | 113.1 | W182 I262 T263 S269 L270 P274 C289 F292 L293 L387 | W182-L267 HydrophobicContact CH2-CD1 4Å; W182-L267 HydrophobicContact CH2-CG 4.5Å; W182-L267 HydrophobicContact CZ2-CD1 4.39Å; W182-L267 WeakPolarHBondContact CZ2-O 3.45Å; I262-L267 HydrophobicContact CD1-CB 4.33Å; I262-L267 HydrophobicContact CD1-CD1 4.26Å; T263-L267 PolarHBondContact O-N 3.14Å; T263-L267 VanDerWaalsContact O-N 3.1Å; L267-S269 PolarHBondContact O-N 2.83Å; L267-L270 WeakPolarHBondContact O-CB 3.28Å; L267-L270 PolarHBondContact O-N 3.34Å; L267-P274 HydrophobicContact CD1-CB 4.32Å; L267-P274 HydrophobicContact CD1-CG 4.2Å; L267-C289 HydrophobicContact CD2-CB 4.1Å; L267-F292 HydrophobicContact CD2-CE1 4.2Å; L267-F292 HydrophobicContact CD2-CZ 3.72Å; L267-F292 HydrophobicContact CG-CZ 4.27Å; L267-L293 HydrophobicContact CD1-CD2 4.4Å; L267-L293 HydrophobicContact CD2-CD1 4.25Å; L267-L387 HydrophobicContact CB-CD1 4.24Å; L267-L387 HydrophobicContact CD2-CD1 4.22Å; L267-L387 HydrophobicContact CD2-CD2 4.04Å |
| 268 | F | 96.2 | Very high | 95.7 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -14.9 | -172 | -60.6 | -55.5 | 0 | 0 | 0 | 114.8 | V130 P134 K135 M138 Q190 S264 D266 F292 | V130-F268 VanDerWaalsContact C-CD2 3.42Å; V130-F268 HydrophobicContact CB-CD2 4.3Å; V130-F268 WeakPolarHBondContact O-CD2 3.44Å; V130-F268 VanDerWaalsContact O-CE2 3.25Å; V130-F268 WeakPolarHBondContact O-CE2 3.37Å; P134-F268 HydrophobicContact CB-CB 3.65Å; P134-F268 HydrophobicContact CB-CD1 3.87Å; P134-F268 HydrophobicContact CB-CD2 4.35Å; P134-F268 HydrophobicContact CB-CG 3.69Å; P134-F268 HydrophobicContact CG-CB 3.89Å; P134-F268 HydrophobicContact CG-CD1 4.24Å; P134-F268 HydrophobicContact CG-CD2 3.88Å; P134-F268 HydrophobicContact CG-CG 3.73Å; K135-F268 HydrophobicContact CB-CE1 3.77Å; K135-F268 HydrophobicContact CB-CZ 3.65Å; K135-F268 HydrophobicContact CG-CE1 4.33Å; K135-F268 HydrophobicContact CG-CZ 4.15Å; M138-F268 HydrophobicContact CE-CB 4.34Å; M138-F268 HydrophobicContact CE-CD1 4.08Å; M138-F268 HydrophobicContact SD-CD1 3.68Å; M138-F268 HydrophobicContact SD-CE1 4.25Å; Q190-F268 PolarHBondContact NE2-O 3.1Å; S264-F268 WeakPolarHBondContact O-CD2 3.4Å; S264-F268 VanDerWaalsContact O-CE2 3.28Å; S264-F268 WeakPolarHBondContact O-CE2 3.41Å; D266-F268 VanDerWaalsContact C-N 3.32Å; D266-F268 PolarHBondContact O-N 3.17Å; F268-F292 AromaticContact CE1-CE1 3.88Å; F268-F292 HydrophobicContact CE1-CE1 3.88Å; F268-F292 HydrophobicContact CE1-CZ 4.14Å |
| 269 | S | 94.7 | Very high | 96 | Very high | 46 Ų | 46 | 24.4 Ų | 24.4 | 32% | 0.322 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 12.7 | 176.7 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | D266 L267 S271 | D266-S269 PolarHBondContact O-N 2.81Å; D266-S269 PolarHBondContact O-OG 3.04Å; L267-S269 PolarHBondContact O-N 2.83Å; S269-S271 PolarHBondContact O-N 2.98Å |
| 270 | L | 95.3 | Very high | 96.2 | Very high | 17 Ų | 17 | 19.5 Ų | 19.5 | 9% | 0.089 | 11% | 0.11 | C | C | . | . | trans | -61.4 | 123.6 | -176.5 | -164.3 | 67.2 | 0 | 0 | 0 | 109.8 | W182 I262 D266 L267 Y272 P274 | W182-L270 HydrophobicContact CZ2-CB 4.08Å; W182-L270 PolarHBondContact NE1-O 3.45Å; I262-L270 HydrophobicContact CD1-CD2 4.31Å; D266-L270 PolarHBondContact O-N 3.16Å; L267-L270 WeakPolarHBondContact O-CB 3.28Å; L267-L270 PolarHBondContact O-N 3.34Å; L270-Y272 HydrophobicContact CD1-CD1 4.34Å; L270-Y272 HydrophobicContact CD1-CE1 3.72Å; L270-Y272 HydrophobicContact CD1-CE2 4.2Å; L270-Y272 HydrophobicContact CD2-CD2 4.17Å; L270-Y272 HydrophobicContact CD2-CE2 3.87Å; L270-Y272 WeakPolarHBondContact CD2-O 3.43Å; L270-Y272 HydrophobicContact CG-CD1 4.23Å; L270-Y272 HydrophobicContact CG-CD2 4.28Å; L270-Y272 HydrophobicContact CG-CE1 4.07Å; L270-Y272 HydrophobicContact CG-CE2 4.09Å; L270-Y272 HydrophobicContact CG-CG 4.36Å; L270-Y272 WeakPolarHBondContact CG-O 3.32Å; L270-Y272 PolarHBondContact O-N 3.12Å; L270-Y272 VanDerWaalsContact O-N 3.14Å; L270-P274 HydrophobicContact CD2-CB 3.87Å | ||
| 271 | S | 93.2 | Very high | 96.2 | Very high | 82 Ų | 82 | 16.3 Ų | 16.3 | 57% | 0.573 | 10% | 0.101 | S | C | * | . | S | Bend | trans | -76.4 | 0.9 | -171.9 | 71.2 | 0 | 0 | 0 | 0 | 114.4 | S269 | S269-S271 PolarHBondContact O-N 2.98Š|
| 272 | Y | 94.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 16.9 Ų | 16.9 | 22% | 0.22 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -144.6 | 156.8 | -177.6 | 57.1 | -90.8 | 0 | 0 | 0 | 108.9 | W182 L270 K363 P364 | W182-Y272 VanDerWaalsContact CD1-C 3.44Å; W182-Y272 PolarHBondContact NE1-O 3.32Å; L270-Y272 HydrophobicContact CD1-CD1 4.34Å; L270-Y272 HydrophobicContact CD1-CE1 3.72Å; L270-Y272 HydrophobicContact CD1-CE2 4.2Å; L270-Y272 HydrophobicContact CD2-CD2 4.17Å; L270-Y272 HydrophobicContact CD2-CE2 3.87Å; L270-Y272 WeakPolarHBondContact CD2-O 3.43Å; L270-Y272 HydrophobicContact CG-CD1 4.23Å; L270-Y272 HydrophobicContact CG-CD2 4.28Å; L270-Y272 HydrophobicContact CG-CE1 4.07Å; L270-Y272 HydrophobicContact CG-CE2 4.09Å; L270-Y272 HydrophobicContact CG-CG 4.36Å; L270-Y272 WeakPolarHBondContact CG-O 3.32Å; L270-Y272 PolarHBondContact O-N 3.12Å; L270-Y272 VanDerWaalsContact O-N 3.14Å; Y272-K363 WeakPolarHBondContact CB-O 3.18Å; Y272-K363 HydrophobicContact CD1-CB 3.46Å; Y272-K363 VanDerWaalsContact CD1-CB 3.46Å; Y272-K363 HydrophobicContact CD1-CD 3.97Å; Y272-K363 HydrophobicContact CD1-CG 3.78Å; Y272-K363 HydrophobicContact CD2-CB 4.23Å; Y272-K363 HydrophobicContact CE1-CB 3.73Å; Y272-K363 HydrophobicContact CE1-CD 3.98Å; Y272-K363 HydrophobicContact CE1-CG 3.61Å; Y272-K363 HydrophobicContact CE2-CB 4.48Å; Y272-K363 HydrophobicContact CG-CB 3.71Å; Y272-K363 HydrophobicContact CG-CG 4.5Å; Y272-P364 HydrophobicContact CD2-CB 3.88Å; Y272-P364 HydrophobicContact CD2-CG 4.42Å; Y272-P364 VanDerWaalsContact CD2-N 3.29Å; Y272-P364 VanDerWaalsContact CE2-CA 3.44Å; Y272-P364 HydrophobicContact CE2-CB 3.71Å |
| 273 | C | 96.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 18.3 Ų | 18.3 | 23% | 0.23 | 12% | 0.117 | C | C | . | . | trans | -65.5 | 131.2 | 178.6 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | W182 G275 | W182-C273 HydrophobicContact CB-CB 3.94Å; W182-C273 HydrophobicContact CG-CB 4.1Å; C273-G275 PolarHBondContact O-N 3.39Å; C273-G275 VanDerWaalsContact O-N 3.16Å | ||
| 274 | P | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -68.4 | -13.5 | -176.2 | 25.2 | -33.1 | 0 | 0 | 0 | 114.1 | W182 L267 L270 L293 L298 N384 T385 | W182-P274 HydrophobicContact CE3-CG 4.35Å; W182-P274 HydrophobicContact CH2-CG 3.9Å; W182-P274 HydrophobicContact CZ2-CG 4.27Å; W182-P274 HydrophobicContact CZ3-CG 3.94Å; L267-P274 HydrophobicContact CD1-CB 4.32Å; L267-P274 HydrophobicContact CD1-CG 4.2Å; L270-P274 HydrophobicContact CD2-CB 3.87Å; P274-L293 HydrophobicContact CG-CD2 3.65Å; P274-L298 HydrophobicContact CG-CD1 3.73Å; P274-N384 WeakPolarHBondContact O-CB 3.42Å; P274-T385 WeakPolarHBondContact CA-OG1 3.15Å; P274-T385 HydrophobicContact CB-CG2 4.22Å; P274-T385 WeakPolarHBondContact CB-OG1 3.34Å; P274-T385 WeakPolarHBondContact O-CB 3.49Å; P274-T385 PolarHBondContact O-OG1 3.39Å | ||
| 275 | G | 95.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 22.8 Ų | 22.8 | 17% | 0.165 | 14% | 0.137 | C | C | . | . | trans | 62.7 | -147.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C273 T277 | C273-G275 PolarHBondContact O-N 3.39Å; C273-G275 VanDerWaalsContact O-N 3.16Å; G275-T277 PolarHBondContact O-N 3.32Å; G275-T277 PolarHBondContact O-OG1 2.73Å | ||
| 276 | K | 97.2 | Very high | 96.3 | Very high | 43 Ų | 43 | 22.8 Ų | 22.8 | 19% | 0.187 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -63 | 118 | 175.7 | -177 | 176.8 | 174.2 | -161.9 | 0 | 109.9 | D299 D381 T382 Y383 N384 T385 | K276-D299 CarbonylContact C-O 3.5Å; K276-D299 WeakPolarHBondContact CA-O 3.29Å; K276-D299 HydrophobicContact CB-CB 4.35Å; K276-D299 HydrophobicContact CG-CB 4Å; K276-D381 WeakPolarHBondContact CE-OD2 3.33Å; K276-D381 IonicContact NZ-OD1 2.54Å; K276-D381 PolarHBondContact NZ-OD1 3.43Å; K276-D381 IonicContact NZ-OD2 3.8Å; K276-D381 PolarHBondContact NZ-OD2 3.37Å; K276-T382 VanDerWaalsContact CD-O 3.26Å; K276-T382 WeakPolarHBondContact CD-O 3.34Å; K276-T382 WeakPolarHBondContact CE-O 3.39Å; K276-T382 PolarHBondContact NZ-O 3.01Å; K276-Y383 HydrophobicContact CD-CD1 4.29Å; K276-Y383 HydrophobicContact CG-CD1 3.83Å; K276-Y383 HydrophobicContact CG-CE1 4.33Å; K276-N384 PolarHBondContact N-OD1 3.42Å; K276-N384 PolarHBondContact O-N 2.78Å; K276-T385 PolarHBondContact O-N 3.25Å; K276-T385 VanDerWaalsContact O-N 3.13Å |
| 277 | T | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.2 | -168.1 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | G275 L293 D299 V300 T301 T385 L387 | G275-T277 PolarHBondContact O-N 3.32Å; G275-T277 PolarHBondContact O-OG1 2.73Å; T277-L293 HydrophobicContact CG2-CD1 3.94Å; T277-D299 PolarHBondContact N-O 3.48Å; T277-V300 WeakPolarHBondContact O-CA 3.31Å; T277-T301 PolarHBondContact O-N 3.18Å; T277-T385 CarbonylContact C-O 3.48Å; T277-T385 WeakPolarHBondContact CA-O 3.47Å; T277-T385 HydrophobicContact CG2-CG2 4.14Å; T277-L387 HydrophobicContact CG2-CB 4.35Å |
| 278 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 119.8 | 167.4 | 179.6 | 65.1 | 0 | 0 | 0 | 110 | V280 T301 M303 V369 Y383 T385 V386 L387 | L278-V280 HydrophobicContact CD2-CG2 4.14Å; L278-V280 HydrophobicContact CG-CG2 4.16Å; L278-T301 CarbonylContact C-O 3.56Å; L278-T301 WeakPolarHBondContact CA-O 3.33Å; L278-T301 HydrophobicContact CD1-CG2 3.97Å; L278-M303 HydrophobicContact CD1-CB 4.17Å; L278-M303 HydrophobicContact CD1-CE 4.43Å; L278-M303 HydrophobicContact CD2-CE 4.14Å; L278-V369 HydrophobicContact CD2-CB 4.24Å; L278-V369 HydrophobicContact CD2-CG1 3.76Å; L278-V369 HydrophobicContact CD2-CG2 4.02Å; L278-Y383 HydrophobicContact CB-CD1 3.61Å; L278-Y383 HydrophobicContact CB-CD2 3.96Å; L278-Y383 HydrophobicContact CB-CE1 3.76Å; L278-Y383 HydrophobicContact CB-CE2 4.06Å; L278-Y383 HydrophobicContact CB-CG 3.73Å; L278-Y383 HydrophobicContact CD1-CE1 4.28Å; L278-Y383 HydrophobicContact CD1-CE2 4.39Å; L278-Y383 HydrophobicContact CD2-CD2 4.22Å; L278-Y383 HydrophobicContact CD2-CE2 3.97Å; L278-Y383 HydrophobicContact CG-CE2 4.37Å; L278-T385 PolarHBondContact N-O 3.05Å; L278-V386 HydrophobicContact CB-CG2 4.32Å; L278-V386 HydrophobicContact CD2-CG1 4.39Å; L278-V386 HydrophobicContact CD2-CG2 4.45Å; L278-V386 CarbonylContact O-C 3.49Å; L278-V386 WeakPolarHBondContact O-CA 3.46Å; L278-L387 PolarHBondContact O-N 3.48Å |
| 279 | C | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 115.4 | 171.1 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | S286 T301 V302 M303 L387 | C279-S286 VanDerWaalsContact CB-OG 3.29Å; C279-S286 WeakPolarHBondContact CB-OG 3.25Å; C279-T301 PolarHBondContact N-O 2.93Å; C279-V302 HydrophobicContact CB-CG2 4.26Å; C279-V302 WeakPolarHBondContact O-CA 3.49Å; C279-M303 PolarHBondContact O-N 2.81Å; C279-L387 CarbonylContact C-O 3.59Å; C279-L387 WeakPolarHBondContact CA-O 3.41Å |
| 280 | V | 96 | Very high | 96.7 | Very high | 11 Ų | 11 | 21.1 Ų | 21.1 | 7% | 0.067 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 115.9 | 178.9 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | L252 L278 V386 L387 L388 A389 I390 | L252-V280 HydrophobicContact CD1-CG1 4.44Å; L278-V280 HydrophobicContact CD2-CG2 4.14Å; L278-V280 HydrophobicContact CG-CG2 4.16Å; V280-V386 HydrophobicContact CG2-CG1 3.85Å; V280-L387 PolarHBondContact N-O 3.19Å; V280-L388 HydrophobicContact CB-CD2 3.9Å; V280-L388 HydrophobicContact CG1-CD2 4.42Å; V280-L388 HydrophobicContact CG2-CD2 3.98Å; V280-A389 CarbonylContact O-C 3.58Å; V280-A389 WeakPolarHBondContact O-CA 3.41Å; V280-A389 PolarHBondContact O-N 3.24Å; V280-I390 HydrophobicContact CB-CG2 4.37Å; V280-I390 HydrophobicContact CG1-CG2 3.83Å; V280-I390 WeakPolarHBondContact O-CG2 3.25Å |
| 281 | G | 94 | Very high | 96.9 | Very high | 13 Ų | 13 | 20.3 Ų | 20.3 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | trans | 111.7 | 159.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S286 V302 M303 | G281-S286 WeakPolarHBondContact O-CB 3.45Å; G281-S286 PolarHBondContact O-OG 3.28Å; G281-V302 WeakPolarHBondContact O-CG1 3.23Å; G281-M303 CarbonylContact C-O 3.48Å; G281-M303 PolarHBondContact N-O 2.69Å | ||
| 282 | A | 95.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 16.4 Ų | 16.4 | 11% | 0.107 | 9% | 0.093 | C | C | . | . | trans | -141 | 25.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V302 V304 L308 L309 | A282-V302 HydrophobicContact CB-CG1 4.39Å; A282-V304 HydrophobicContact CB-CB 4.12Å; A282-V304 HydrophobicContact CB-CG1 3.81Å; A282-V304 HydrophobicContact CB-CG2 3.81Å; A282-L308 HydrophobicContact CB-CD2 3.68Å; A282-L309 PolarHBondContact O-N 3.42Å | ||
| 283 | S | 95.6 | Very high | 97.2 | Very high | 40 Ų | 40 | 13.8 Ų | 13.8 | 28% | 0.28 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -92.9 | -179 | 169.1 | -162.1 | 0 | 0 | 0 | 0 | 110.7 | V285 S286 L287 | S283-V285 VanDerWaalsContact C-N 3.35Å; S283-V285 PolarHBondContact O-N 2.77Å; S283-S286 WeakPolarHBondContact O-CB 3.38Å; S283-S286 PolarHBondContact O-N 2.66Å; S283-L287 PolarHBondContact O-N 3.19Å; S283-L287 VanDerWaalsContact O-N 3.09Å |
| 284 | Y | 97 | Very high | 97.2 | Very high | 67 Ų | 67 | 14.4 Ų | 14.4 | 26% | 0.263 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -50.8 | -46.3 | -170.6 | 55.3 | -91.6 | 0 | 0 | 0 | 113.3 | S286 L287 E288 F312 E457 | Y284-S286 VanDerWaalsContact C-N 3.28Å; Y284-S286 PolarHBondContact O-N 2.86Å; Y284-L287 PolarHBondContact O-N 3.31Å; Y284-E288 VanDerWaalsContact O-CB 3.27Å; Y284-E288 WeakPolarHBondContact O-CB 3.1Å; Y284-E288 WeakPolarHBondContact O-CG 3.46Å; Y284-E288 PolarHBondContact O-N 3.21Å; Y284-F312 AromaticContact CD1-CE2 3.97Å; Y284-F312 HydrophobicContact CD1-CE2 3.97Å; Y284-F312 HydrophobicContact CD1-CZ 4.27Å; Y284-E457 PolarHBondContact OH-OE2 2.83Å |
| 285 | V | 97.7 | Very high | 97 | Very high | 35 Ų | 35 | 14.5 Ų | 14.5 | 21% | 0.212 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -55 | -45.3 | 178.3 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | S283 C289 A389 | S283-V285 VanDerWaalsContact C-N 3.35Å; S283-V285 PolarHBondContact O-N 2.77Å; V285-C289 VanDerWaalsContact O-CB 3.29Å; V285-C289 WeakPolarHBondContact O-CB 3.41Å; V285-C289 PolarHBondContact O-N 2.65Å; V285-C289 VanDerWaalsContact O-N 3.09Å; V285-C289 PolarHBondContact O-SG 2.71Å; V285-A389 HydrophobicContact CB-CB 4.38Å; V285-A389 HydrophobicContact CG1-CB 4.15Å |
| 286 | S | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.7 | -48.8 | -179.5 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | C279 G281 S283 Y284 C289 A290 | C279-S286 VanDerWaalsContact CB-OG 3.29Å; C279-S286 WeakPolarHBondContact CB-OG 3.25Å; G281-S286 WeakPolarHBondContact O-CB 3.45Å; G281-S286 PolarHBondContact O-OG 3.28Å; S283-S286 WeakPolarHBondContact O-CB 3.38Å; S283-S286 PolarHBondContact O-N 2.66Å; Y284-S286 VanDerWaalsContact C-N 3.28Å; Y284-S286 PolarHBondContact O-N 2.86Å; S286-C289 PolarHBondContact O-N 3.37Å; S286-A290 VanDerWaalsContact O-CB 3.22Å; S286-A290 WeakPolarHBondContact O-CB 3.46Å; S286-A290 PolarHBondContact O-N 3.18Å |
| 287 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.5 | -36 | -175.5 | -59.5 | -175 | 0 | 0 | 0 | 112.5 | S283 Y284 G291 V302 L309 M324 F332 T492 | S283-L287 PolarHBondContact O-N 3.19Å; S283-L287 VanDerWaalsContact O-N 3.09Å; Y284-L287 PolarHBondContact O-N 3.31Å; L287-G291 WeakPolarHBondContact O-CA 3.38Å; L287-G291 PolarHBondContact O-N 3.44Å; L287-V302 HydrophobicContact CD2-CG1 4.06Å; L287-V302 HydrophobicContact CD2-CG2 4.41Å; L287-L309 HydrophobicContact CD1-CD1 4.38Å; L287-L309 HydrophobicContact CD1-CD2 3.75Å; L287-L309 HydrophobicContact CD1-CG 3.72Å; L287-M324 HydrophobicContact CB-CE 4.22Å; L287-M324 HydrophobicContact CB-SD 4.09Å; L287-M324 HydrophobicContact CD2-CE 4.27Å; L287-M324 HydrophobicContact CD2-SD 4.25Å; L287-M324 WeakPolarHBondContact O-CE 3.35Å; L287-F332 HydrophobicContact CD2-CE1 4.01Å; L287-F332 HydrophobicContact CD2-CZ 4.3Å; L287-T492 HydrophobicContact CB-CG2 3.64Å |
| 288 | E | 98.6 | Very high | 96.3 | Very high | 14 Ų | 14 | 13.2 Ų | 13.2 | 7% | 0.065 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67 | -44.5 | 174.3 | -66.2 | -179.7 | 127.6 | 0 | 0 | 110.9 | K135 Y284 G291 F292 V490 F491 | K135-E288 HydrophobicContact CD-CB 3.98Å; K135-E288 HydrophobicContact CD-CG 4.41Å; K135-E288 WeakPolarHBondContact CD-OE2 3.38Å; K135-E288 WeakPolarHBondContact CE-OE2 3.22Å; K135-E288 HydrophobicContact CG-CB 4.42Å; K135-E288 IonicContact NZ-OE1 2.6Å; K135-E288 PolarHBondContact NZ-OE1 2.83Å; K135-E288 IonicContact NZ-OE2 3.95Å; K135-E288 PolarHBondContact NZ-OE2 3.28Å; Y284-E288 VanDerWaalsContact O-CB 3.27Å; Y284-E288 WeakPolarHBondContact O-CB 3.1Å; Y284-E288 WeakPolarHBondContact O-CG 3.46Å; Y284-E288 PolarHBondContact O-N 3.21Å; E288-G291 PolarHBondContact O-N 3.46Å; E288-F292 VanDerWaalsContact O-CD1 3.31Å; E288-F292 WeakPolarHBondContact O-CD1 3.34Å; E288-F292 PolarHBondContact O-N 3.01Å; E288-F292 VanDerWaalsContact O-N 3.08Å; E288-V490 HydrophobicContact CG-CG1 4.05Å; E288-F491 HydrophobicContact CG-CB 4.38Å; E288-F491 WeakPolarHBondContact OE1-CB 3.39Å; E288-F491 WeakPolarHBondContact OE1-CD2 3.48Å; E288-F491 PolarHBondContact OE1-N 2.79Å |
| 289 | C | 98.7 | Very high | 96.2 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.007 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 175 | -75.1 | 0 | 0 | 0 | 0 | 112 | L267 V285 S286 G291 F292 L293 L387 | L267-C289 HydrophobicContact CD2-CB 4.1Å; V285-C289 VanDerWaalsContact O-CB 3.29Å; V285-C289 WeakPolarHBondContact O-CB 3.41Å; V285-C289 PolarHBondContact O-N 2.65Å; V285-C289 VanDerWaalsContact O-N 3.09Å; V285-C289 PolarHBondContact O-SG 2.71Å; S286-C289 PolarHBondContact O-N 3.37Å; C289-G291 VanDerWaalsContact C-N 3.27Å; C289-G291 PolarHBondContact O-N 3.26Å; C289-F292 VanDerWaalsContact CA-CE1 3.5Å; C289-F292 HydrophobicContact CB-CE1 4.07Å; C289-F292 PolarHBondContact O-N 3.34Å; C289-L293 WeakPolarHBondContact O-CB 3.5Å; C289-L293 WeakPolarHBondContact O-CD1 3.32Å; C289-L293 WeakPolarHBondContact O-CG 3.37Å; C289-L293 PolarHBondContact O-N 2.93Å; C289-L387 HydrophobicContact CB-CD2 3.58Å |
| 290 | A | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S286 R294 V300 V302 M324 V330 | S286-A290 VanDerWaalsContact O-CB 3.22Å; S286-A290 WeakPolarHBondContact O-CB 3.46Å; S286-A290 PolarHBondContact O-N 3.18Å; A290-R294 WeakPolarHBondContact O-CB 3.38Å; A290-R294 PolarHBondContact O-N 3.48Å; A290-V300 HydrophobicContact CB-CG1 3.66Å; A290-V302 HydrophobicContact CB-CG2 3.49Å; A290-V302 VanDerWaalsContact CB-CG2 3.49Å; A290-M324 HydrophobicContact CB-CE 4.15Å; A290-V330 HydrophobicContact CB-CG1 4.36Å |
| 291 | G | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.01 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -57.8 | -55.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L287 E288 C289 G295 P493 | L287-G291 WeakPolarHBondContact O-CA 3.38Å; L287-G291 PolarHBondContact O-N 3.44Å; E288-G291 PolarHBondContact O-N 3.46Å; C289-G291 VanDerWaalsContact C-N 3.27Å; C289-G291 PolarHBondContact O-N 3.26Å; G291-G295 PolarHBondContact O-N 2.91Å; G291-P493 VanDerWaalsContact CA-CG 3.47Å |
| 292 | F | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -70.8 | -36.7 | -178.4 | 84.4 | -107.7 | 0 | 0 | 0 | 112.4 | M138 A142 W182 L267 F268 E288 C289 R294 G295 I296 | M138-F292 HydrophobicContact CB-CB 4.48Å; M138-F292 HydrophobicContact CB-CD1 4.2Å; M138-F292 HydrophobicContact CB-CD2 3.67Å; M138-F292 HydrophobicContact CB-CE1 4.35Å; M138-F292 HydrophobicContact CB-CE2 3.87Å; M138-F292 HydrophobicContact CB-CG 3.88Å; M138-F292 HydrophobicContact CB-CZ 4.21Å; M138-F292 HydrophobicContact CG-CE2 4.28Å; M138-F292 HydrophobicContact SD-CD2 4.27Å; M138-F292 HydrophobicContact SD-CE1 4.31Å; M138-F292 HydrophobicContact SD-CE2 3.49Å; M138-F292 WeakPolarHBondContact SD-CE2 3.13Å; M138-F292 HydrophobicContact SD-CZ 3.52Å; M138-F292 VanDerWaalsContact SD-CZ 3.52Å; A142-F292 HydrophobicContact CB-CB 4.19Å; W182-F292 HydrophobicContact CH2-CE2 4.33Å; W182-F292 HydrophobicContact CZ3-CE2 4.21Å; L267-F292 HydrophobicContact CD2-CE1 4.2Å; L267-F292 HydrophobicContact CD2-CZ 3.72Å; L267-F292 HydrophobicContact CG-CZ 4.27Å; F268-F292 AromaticContact CE1-CE1 3.88Å; F268-F292 HydrophobicContact CE1-CE1 3.88Å; F268-F292 HydrophobicContact CE1-CZ 4.14Å; E288-F292 VanDerWaalsContact O-CD1 3.31Å; E288-F292 WeakPolarHBondContact O-CD1 3.34Å; E288-F292 PolarHBondContact O-N 3.01Å; E288-F292 VanDerWaalsContact O-N 3.08Å; C289-F292 VanDerWaalsContact CA-CE1 3.5Å; C289-F292 HydrophobicContact CB-CE1 4.07Å; C289-F292 PolarHBondContact O-N 3.34Å; F292-R294 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 3.13Å; F292-G295 CarbonylContact O-C 3.44Å; F292-G295 WeakPolarHBondContact O-CA 3.27Å; F292-G295 PolarHBondContact O-N 3.49Å; F292-G295 VanDerWaalsContact O-N 3.12Å; F292-I296 PolarHBondContact O-N 3.45Å |
| 293 | L | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.6 | -43.2 | 178 | -72.4 | 171.7 | 0 | 0 | 0 | 110.9 | W182 L267 P274 T277 C289 G295 I296 G297 L298 V300 | W182-L293 HydrophobicContact CH2-CD2 4.07Å; W182-L293 HydrophobicContact CZ3-CD2 3.76Å; L267-L293 HydrophobicContact CD1-CD2 4.4Å; L267-L293 HydrophobicContact CD2-CD1 4.25Å; P274-L293 HydrophobicContact CG-CD2 3.65Å; T277-L293 HydrophobicContact CG2-CD1 3.94Å; C289-L293 WeakPolarHBondContact O-CB 3.5Å; C289-L293 WeakPolarHBondContact O-CD1 3.32Å; C289-L293 WeakPolarHBondContact O-CG 3.37Å; C289-L293 PolarHBondContact O-N 2.93Å; L293-G295 VanDerWaalsContact C-N 3.32Å; L293-I296 HydrophobicContact CD2-CD1 4.49Å; L293-I296 WeakPolarHBondContact O-CG1 3.41Å; L293-I296 PolarHBondContact O-N 2.88Å; L293-G297 PolarHBondContact O-N 3.15Å; L293-L298 HydrophobicContact CB-CD1 4.42Å; L293-L298 HydrophobicContact CD2-CD1 3.8Å; L293-L298 WeakPolarHBondContact O-CB 3.09Å; L293-L298 PolarHBondContact O-N 3.27Å; L293-L298 VanDerWaalsContact O-N 3.07Å; L293-V300 HydrophobicContact CB-CG2 3.67Å |
| 294 | R | 95.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 11.8 Ų | 11.8 | 18% | 0.181 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.7 | -36.1 | 173 | -178 | 66.7 | -155.7 | 123.9 | -2 | 111.6 | R174 A290 F292 I296 G297 L298 V300 A328 G329 V330 | R174-R294 PolarHBondContact NH1-O 2.86Å; A290-R294 WeakPolarHBondContact O-CB 3.38Å; A290-R294 PolarHBondContact O-N 3.48Å; F292-R294 VanDerWaalsContact C-N 3.34Å; F292-R294 PolarHBondContact O-N 3.13Å; R294-I296 VanDerWaalsContact C-N 3.32Å; R294-I296 PolarHBondContact O-N 2.98Å; R294-G297 PolarHBondContact O-N 3.35Å; R294-L298 WeakPolarHBondContact CD-O 3.31Å; R294-L298 PolarHBondContact NH1-O 2.81Å; R294-V300 HydrophobicContact CB-CB 4.33Å; R294-V300 HydrophobicContact CB-CG2 4.08Å; R294-A328 WeakPolarHBondContact CD-O 3.38Å; R294-A328 WeakPolarHBondContact CG-O 3.4Å; R294-A328 PolarHBondContact NE-O 2.86Å; R294-G329 WeakPolarHBondContact CD-O 3.45Å; R294-G329 PolarHBondContact NE-O 2.82Å; R294-V330 HydrophobicContact CB-CG2 3.71Å; R294-V330 HydrophobicContact CG-CG2 3.69Å |
| 295 | G | 92.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.7 | -35.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F175 G291 F292 L293 G297 | F175-G295 WeakPolarHBondContact CE2-O 3.37Å; G291-G295 PolarHBondContact O-N 2.91Å; F292-G295 CarbonylContact O-C 3.44Å; F292-G295 WeakPolarHBondContact O-CA 3.27Å; F292-G295 PolarHBondContact O-N 3.49Å; F292-G295 VanDerWaalsContact O-N 3.12Å; L293-G295 VanDerWaalsContact C-N 3.32Å; G295-G297 VanDerWaalsContact C-N 3.28Å; G295-G297 PolarHBondContact O-N 3.46Å |
| 296 | I | 92.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 13.7 Ų | 13.7 | 8% | 0.082 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 4.8 | 173.5 | 65 | 169.9 | 0 | 0 | 0 | 113.7 | T141 W182 F292 L293 R294 L298 | T141-I296 HydrophobicContact CG2-CG2 4.02Å; W182-I296 HydrophobicContact CE3-CD1 3.72Å; W182-I296 HydrophobicContact CZ3-CD1 3.77Å; F292-I296 PolarHBondContact O-N 3.45Å; L293-I296 HydrophobicContact CD2-CD1 4.49Å; L293-I296 WeakPolarHBondContact O-CG1 3.41Å; L293-I296 PolarHBondContact O-N 2.88Å; R294-I296 VanDerWaalsContact C-N 3.32Å; R294-I296 PolarHBondContact O-N 2.98Å; I296-L298 HydrophobicContact CD1-CD1 4.07Å; I296-L298 HydrophobicContact CD1-CG 4.34Å; I296-L298 HydrophobicContact CG1-CD1 4.39Å; I296-L298 HydrophobicContact CG1-CG 4.21Å |
| 297 | G | 90.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | 5.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | L293 R294 G295 | L293-G297 PolarHBondContact O-N 3.15Å; R294-G297 PolarHBondContact O-N 3.35Å; G295-G297 VanDerWaalsContact C-N 3.28Å; G295-G297 PolarHBondContact O-N 3.46Å |
| 298 | L | 94 | Very high | 95.1 | Very high | 14 Ų | 14 | 17.2 Ų | 17.2 | 7% | 0.073 | 9% | 0.085 | C | C | . | . | trans | -76.8 | 157.2 | 179.4 | -56.7 | 178.9 | 0 | 0 | 0 | 112.5 | P274 L293 R294 I296 V300 | P274-L298 HydrophobicContact CG-CD1 3.73Å; L293-L298 HydrophobicContact CB-CD1 4.42Å; L293-L298 HydrophobicContact CD2-CD1 3.8Å; L293-L298 WeakPolarHBondContact O-CB 3.09Å; L293-L298 PolarHBondContact O-N 3.27Å; L293-L298 VanDerWaalsContact O-N 3.07Å; R294-L298 WeakPolarHBondContact CD-O 3.31Å; R294-L298 PolarHBondContact NH1-O 2.81Å; I296-L298 HydrophobicContact CD1-CD1 4.07Å; I296-L298 HydrophobicContact CD1-CG 4.34Å; I296-L298 HydrophobicContact CG1-CD1 4.39Å; I296-L298 HydrophobicContact CG1-CG 4.21Å; L298-V300 HydrophobicContact CB-CG2 4.28Å | ||
| 299 | D | 95.4 | Very high | 95 | Very high | 32 Ų | 32 | 16.5 Ų | 16.5 | 17% | 0.171 | 8% | 0.082 | C | C | . | . | trans | -79.5 | 118.7 | 168.4 | -175.3 | 3 | 0 | 0 | 0 | 108.9 | K276 T277 K331 | K276-D299 CarbonylContact C-O 3.5Å; K276-D299 WeakPolarHBondContact CA-O 3.29Å; K276-D299 HydrophobicContact CB-CB 4.35Å; K276-D299 HydrophobicContact CG-CB 4Å; T277-D299 PolarHBondContact N-O 3.48Å; D299-K331 WeakPolarHBondContact OD1-CE 3.2Å; D299-K331 IonicContact OD1-NZ 3.9Å; D299-K331 PolarHBondContact OD1-NZ 2.87Å; D299-K331 IonicContact OD2-NZ 2.71Å; D299-K331 PolarHBondContact OD2-NZ 2.64Å | ||
| 300 | V | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.4 | -173 | -176.6 | 0 | 0 | 0 | 0 | 110 | T277 A290 L293 R294 L298 V330 K331 | T277-V300 WeakPolarHBondContact O-CA 3.31Å; A290-V300 HydrophobicContact CB-CG1 3.66Å; L293-V300 HydrophobicContact CB-CG2 3.67Å; R294-V300 HydrophobicContact CB-CB 4.33Å; R294-V300 HydrophobicContact CB-CG2 4.08Å; L298-V300 HydrophobicContact CB-CG2 4.28Å; V300-V330 HydrophobicContact CG1-CG1 4.43Å; V300-K331 PolarHBondContact O-N 2.61Å |
| 301 | T | 98.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.8 | 173.2 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | T277 L278 C279 K331 I333 | T277-T301 PolarHBondContact O-N 3.18Å; L278-T301 CarbonylContact C-O 3.56Å; L278-T301 WeakPolarHBondContact CA-O 3.33Å; L278-T301 HydrophobicContact CD1-CG2 3.97Å; C279-T301 PolarHBondContact N-O 2.93Å; T301-K331 CarbonylContact C-O 3.47Å; T301-K331 VanDerWaalsContact CA-O 3.29Å; T301-K331 WeakPolarHBondContact CA-O 3.48Å; T301-K331 HydrophobicContact CG2-CB 4.03Å; T301-I333 HydrophobicContact CG2-CD1 3.44Å; T301-I333 VanDerWaalsContact CG2-CD1 3.44Å; T301-I333 HydrophobicContact CG2-CG1 3.67Å |
| 302 | V | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 122.8 | 174.5 | 177.3 | 0 | 0 | 0 | 0 | 109.2 | C279 G281 A282 L287 A290 V304 V330 K331 F332 I333 | C279-V302 HydrophobicContact CB-CG2 4.26Å; C279-V302 WeakPolarHBondContact O-CA 3.49Å; G281-V302 WeakPolarHBondContact O-CG1 3.23Å; A282-V302 HydrophobicContact CB-CG1 4.39Å; L287-V302 HydrophobicContact CD2-CG1 4.06Å; L287-V302 HydrophobicContact CD2-CG2 4.41Å; A290-V302 HydrophobicContact CB-CG2 3.49Å; A290-V302 VanDerWaalsContact CB-CG2 3.49Å; V302-V304 HydrophobicContact CG1-CG2 4.08Å; V302-V330 HydrophobicContact CB-CG1 4.46Å; V302-V330 HydrophobicContact CG2-CG1 3.66Å; V302-K331 PolarHBondContact N-O 2.68Å; V302-F332 HydrophobicContact CB-CD1 3.8Å; V302-F332 HydrophobicContact CB-CE1 3.75Å; V302-F332 HydrophobicContact CB-CZ 4.44Å; V302-F332 HydrophobicContact CG1-CD1 4.04Å; V302-F332 HydrophobicContact CG1-CE1 3.86Å; V302-F332 HydrophobicContact CG2-CE1 4.22Å; V302-F332 HydrophobicContact CG2-CZ 4.5Å; V302-F332 WeakPolarHBondContact O-CA 3.36Å; V302-I333 PolarHBondContact O-N 2.58Å |
| 303 | M | 95.9 | Very high | 94.3 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 5% | 0.054 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 116 | 174.5 | -172.5 | 179 | -73.5 | 0 | 0 | 110.3 | L278 C279 G281 C336 L354 A371 I379 | L278-M303 HydrophobicContact CD1-CB 4.17Å; L278-M303 HydrophobicContact CD1-CE 4.43Å; L278-M303 HydrophobicContact CD2-CE 4.14Å; C279-M303 PolarHBondContact O-N 2.81Å; G281-M303 CarbonylContact C-O 3.48Å; G281-M303 PolarHBondContact N-O 2.69Å; M303-C336 HydrophobicContact CG-CB 3.6Å; M303-C336 HydrophobicContact SD-CB 3.69Å; M303-L354 HydrophobicContact CE-CD1 4.03Å; M303-L354 HydrophobicContact SD-CD1 4.18Å; M303-A371 HydrophobicContact CE-CB 3.63Å; M303-A371 HydrophobicContact SD-CB 4.39Å; M303-I379 HydrophobicContact CE-CD1 4.48Å |
| 304 | V | 93.2 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | trans | -106.2 | 123.5 | -174.9 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | A282 V302 L308 F332 I333 H334 N335 C336 | A282-V304 HydrophobicContact CB-CB 4.12Å; A282-V304 HydrophobicContact CB-CG1 3.81Å; A282-V304 HydrophobicContact CB-CG2 3.81Å; V302-V304 HydrophobicContact CG1-CG2 4.08Å; V304-L308 HydrophobicContact CB-CD2 4.5Å; V304-L308 HydrophobicContact CG1-CD2 3.97Å; V304-L308 HydrophobicContact CG2-CD2 3.67Å; V304-F332 HydrophobicContact CG2-CD1 3.7Å; V304-F332 HydrophobicContact CG2-CE1 4.35Å; V304-I333 PolarHBondContact N-O 3.01Å; V304-H334 CarbonylContact O-C 3.53Å; V304-N335 PolarHBondContact O-N 3.45Å; V304-C336 PolarHBondContact O-N 2.83Å | ||
| 305 | R | 86.6 | Confident | 94.4 | Very high | 91 Ų | 91 | 28.6 Ų | 28.6 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -74.6 | -42.4 | 175.2 | 178.8 | 176.8 | 171.3 | 179.8 | -2 | 113.3 | C336 I415 | R305-C336 WeakPolarHBondContact CA-O 3.28Å; R305-I415 VanDerWaalsContact NH2-CG2 3.27Å |
| 306 | S | 87.4 | Confident | 94.6 | Very high | 51 Ų | 51 | 28.6 Ų | 28.6 | 36% | 0.357 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -147.1 | -76.4 | -172.7 | 45.1 | 0 | 0 | 0 | 0 | 111.9 | R310 | S306-R310 PolarHBondContact OG-NH2 3.19Š|
| 307 | I | 93.6 | Very high | 94.9 | Very high | 67 Ų | 67 | 27.8 Ų | 27.8 | 34% | 0.344 | 15% | 0.151 | S | C | . | . | trans | -125.7 | 157.4 | -178 | 61 | 175 | 0 | 0 | 0 | 111.1 | R310 | I307-R310 HydrophobicContact CD1-CB 4.24Å; I307-R310 HydrophobicContact CD1-CG 4.37Å; I307-R310 HydrophobicContact CG1-CB 4.34Å | ||
| 308 | L | 97 | Very high | 95.2 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -80.3 | 148.3 | 171.7 | -55.8 | -175.8 | 0 | 0 | 0 | 110.4 | A282 V304 R310 Q314 A317 G321 F332 | A282-L308 HydrophobicContact CB-CD2 3.68Å; V304-L308 HydrophobicContact CB-CD2 4.5Å; V304-L308 HydrophobicContact CG1-CD2 3.97Å; V304-L308 HydrophobicContact CG2-CD2 3.67Å; L308-R310 VanDerWaalsContact C-N 3.33Å; L308-R310 PolarHBondContact O-N 2.96Å; L308-Q314 PolarHBondContact O-NE2 2.97Å; L308-A317 HydrophobicContact CB-CB 4.24Å; L308-G321 VanDerWaalsContact CD1-CA 3.41Å; L308-F332 HydrophobicContact CD1-CE1 4.44Å; L308-F332 HydrophobicContact CD2-CD1 4.37Å; L308-F332 HydrophobicContact CD2-CE1 4Å |
| 309 | L | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 44.1 | 53.6 | 173.1 | -62.1 | 179.7 | 0 | 0 | 0 | 113.4 | A282 L287 G311 F312 A317 I320 V490 Y496 | A282-L309 PolarHBondContact O-N 3.42Å; L287-L309 HydrophobicContact CD1-CD1 4.38Å; L287-L309 HydrophobicContact CD1-CD2 3.75Å; L287-L309 HydrophobicContact CD1-CG 3.72Å; L309-G311 PolarHBondContact O-N 3.02Å; L309-F312 HydrophobicContact CB-CB 3.96Å; L309-F312 HydrophobicContact CB-CD2 3.78Å; L309-F312 HydrophobicContact CB-CG 4.1Å; L309-F312 HydrophobicContact CD2-CD2 4.45Å; L309-F312 WeakPolarHBondContact O-CB 3.1Å; L309-F312 WeakPolarHBondContact O-CD2 3.14Å; L309-F312 PolarHBondContact O-N 3.26Å; L309-A317 HydrophobicContact CB-CB 3.88Å; L309-A317 HydrophobicContact CD1-CB 4.25Å; L309-A317 HydrophobicContact CG-CB 4.4Å; L309-I320 HydrophobicContact CD1-CD1 3.58Å; L309-V490 HydrophobicContact CD2-CG1 4.21Å; L309-Y496 HydrophobicContact CD1-CD1 4.26Å |
| 310 | R | 91.9 | Very high | 95.5 | Very high | 123 Ų | 123 | 31.3 Ų | 31.3 | 46% | 0.464 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 128 | 176.3 | 178.9 | 177 | -62.4 | -76.7 | -3.9 | 110.5 | S306 I307 L308 | S306-R310 PolarHBondContact OG-NH2 3.19Å; I307-R310 HydrophobicContact CD1-CB 4.24Å; I307-R310 HydrophobicContact CD1-CG 4.37Å; I307-R310 HydrophobicContact CG1-CB 4.34Å; L308-R310 VanDerWaalsContact C-N 3.33Å; L308-R310 PolarHBondContact O-N 2.96Å |
| 311 | G | 90.6 | Very high | 95.5 | Very high | 75 Ų | 75 | 31.7 Ų | 31.7 | 77% | 0.773 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.6 | -11.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L309 | L309-G311 PolarHBondContact O-N 3.02Š|
| 312 | F | 96.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -97.6 | 166.6 | 170.7 | -64.3 | -98.4 | 0 | 0 | 0 | 111.4 | Y284 L309 Q314 T488 V490 Y496 | Y284-F312 AromaticContact CD1-CE2 3.97Å; Y284-F312 HydrophobicContact CD1-CE2 3.97Å; Y284-F312 HydrophobicContact CD1-CZ 4.27Å; L309-F312 HydrophobicContact CB-CB 3.96Å; L309-F312 HydrophobicContact CB-CD2 3.78Å; L309-F312 HydrophobicContact CB-CG 4.1Å; L309-F312 HydrophobicContact CD2-CD2 4.45Å; L309-F312 WeakPolarHBondContact O-CB 3.1Å; L309-F312 WeakPolarHBondContact O-CD2 3.14Å; L309-F312 PolarHBondContact O-N 3.26Å; F312-Q314 PolarHBondContact O-N 3.09Å; F312-Q314 PolarHBondContact O-NE2 2.85Å; F312-T488 HydrophobicContact CE1-CG2 4.08Å; F312-T488 HydrophobicContact CZ-CG2 4.44Å; F312-V490 HydrophobicContact CD1-CG2 4.36Å; F312-V490 HydrophobicContact CE1-CG2 3.69Å; F312-V490 HydrophobicContact CZ-CG2 3.79Å; F312-Y496 HydrophobicContact CB-CE1 4.09Å; F312-Y496 HydrophobicContact CD1-CD1 4.35Å; F312-Y496 AromaticContact CD1-CE1 3.6Å; F312-Y496 HydrophobicContact CD1-CE1 3.6Å; F312-Y496 HydrophobicContact CE1-CE1 4.44Å; F312-Y496 HydrophobicContact CG-CE1 4.2Å |
| 313 | D | 97.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | trans | -54.2 | 122.4 | 172.2 | -169.1 | -81.9 | 0 | 0 | 0 | 111.6 | D315 M316 A317 A502 E503 K559 H574 | D313-D315 WeakPolarHBondContact OD1-CB 3.44Å; D313-D315 PolarHBondContact OD1-N 3.35Å; D313-M316 HydrophobicContact CB-CB 4.19Å; D313-M316 HydrophobicContact CB-CG 3.89Å; D313-M316 PolarHBondContact O-N 3.16Å; D313-M316 WeakPolarHBondContact OD1-CG 3.49Å; D313-M316 PolarHBondContact OD1-N 3.35Å; D313-A317 WeakPolarHBondContact O-CB 3.33Å; D313-A317 PolarHBondContact O-N 3.28Å; D313-A502 HydrophobicContact CB-CB 3.88Å; D313-E503 WeakPolarHBondContact OD2-CB 3.5Å; D313-E503 PolarHBondContact OD2-N 3.45Å; D313-K559 IonicContact OD1-NZ 3.77Å; D313-K559 PolarHBondContact OD1-NZ 3.21Å; D313-K559 IonicContact OD2-NZ 3.53Å; D313-K559 PolarHBondContact OD2-NZ 3.07Å; D313-H574 IonicContact OD2-CE1 2.66Å; D313-H574 IonicContact OD2-NE2 2.71Å | ||
| 314 | Q | 97.5 | Very high | 95.6 | Very high | 35 Ų | 35 | 35.3 Ų | 35.3 | 16% | 0.164 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -76.5 | -27.2 | -169.3 | -65.6 | -64.4 | -71.5 | 0 | 0 | 113 | L308 F312 A317 N318 E504 | L308-Q314 PolarHBondContact O-NE2 2.97Å; F312-Q314 PolarHBondContact O-N 3.09Å; F312-Q314 PolarHBondContact O-NE2 2.85Å; Q314-A317 PolarHBondContact O-N 3.44Å; Q314-N318 WeakPolarHBondContact O-CB 3.45Å; Q314-N318 PolarHBondContact O-N 3.33Å; Q314-N318 PolarHBondContact O-ND2 3.03Å; Q314-E504 WeakPolarHBondContact CB-OE1 3.41Å; Q314-E504 PolarHBondContact N-OE1 3.41Å; Q314-E504 PolarHBondContact N-OE2 3.48Å |
| 315 | D | 96.7 | Very high | 95.8 | Very high | 33 Ų | 33 | 40 Ų | 40 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -46.1 | 171.4 | -177.6 | 23.2 | 0 | 0 | 0 | 110.1 | D313 N318 R319 K621 | D313-D315 WeakPolarHBondContact OD1-CB 3.44Å; D313-D315 PolarHBondContact OD1-N 3.35Å; D315-N318 PolarHBondContact O-N 3.35Å; D315-R319 WeakPolarHBondContact O-CD 3.48Å; D315-R319 VanDerWaalsContact O-CG 3.25Å; D315-R319 WeakPolarHBondContact O-CG 3.27Å; D315-R319 PolarHBondContact O-N 2.87Å; D315-R319 VanDerWaalsContact O-N 3.09Å; D315-R319 IonicContact OD1-CZ 3.38Å; D315-R319 IonicContact OD1-NE 2.71Å; D315-R319 PolarHBondContact OD1-NE 2.93Å; D315-R319 IonicContact OD1-NH2 3.47Å; D315-R319 IonicContact OD2-NE 2.67Å; D315-K621 WeakPolarHBondContact OD2-CE 3.25Å; D315-K621 IonicContact OD2-NZ 3.72Å; D315-K621 PolarHBondContact OD2-NZ 3.3Å |
| 316 | M | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 174.9 | -57.1 | -56.2 | -69.4 | 0 | 0 | 111.9 | D313 N318 R319 I320 Y496 Y557 H574 L576 | D313-M316 HydrophobicContact CB-CB 4.19Å; D313-M316 HydrophobicContact CB-CG 3.89Å; D313-M316 PolarHBondContact O-N 3.16Å; D313-M316 WeakPolarHBondContact OD1-CG 3.49Å; D313-M316 PolarHBondContact OD1-N 3.35Å; M316-N318 VanDerWaalsContact C-N 3.35Å; M316-N318 PolarHBondContact O-N 2.91Å; M316-R319 PolarHBondContact O-N 3.36Å; M316-I320 WeakPolarHBondContact O-CD1 3.48Å; M316-I320 VanDerWaalsContact O-CG1 3.27Å; M316-I320 WeakPolarHBondContact O-CG1 3.47Å; M316-I320 PolarHBondContact O-N 3.12Å; M316-Y496 HydrophobicContact CB-CD2 4.2Å; M316-Y496 HydrophobicContact CB-CE1 4.08Å; M316-Y496 HydrophobicContact CB-CE2 3.78Å; M316-Y496 HydrophobicContact CE-CD2 3.7Å; M316-Y496 HydrophobicContact CE-CE2 3.75Å; M316-Y496 HydrophobicContact CG-CD2 4.39Å; M316-Y496 HydrophobicContact CG-CE2 3.7Å; M316-Y557 HydrophobicContact CE-CD1 4.35Å; M316-Y557 HydrophobicContact SD-CD1 3.72Å; M316-Y557 HydrophobicContact SD-CE1 4.17Å; M316-H574 HydrophobicContact CE-CB 4.04Å; M316-H574 HydrophobicContact CG-CB 3.91Å; M316-H574 HydrophobicContact SD-CB 3.95Å; M316-L576 HydrophobicContact CE-CB 3.64Å |
| 317 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.3 | -42.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L308 L309 D313 Q314 I320 G321 | L308-A317 HydrophobicContact CB-CB 4.24Å; L309-A317 HydrophobicContact CB-CB 3.88Å; L309-A317 HydrophobicContact CD1-CB 4.25Å; L309-A317 HydrophobicContact CG-CB 4.4Å; D313-A317 WeakPolarHBondContact O-CB 3.33Å; D313-A317 PolarHBondContact O-N 3.28Å; Q314-A317 PolarHBondContact O-N 3.44Å; A317-I320 PolarHBondContact O-N 2.84Å; A317-G321 PolarHBondContact O-N 2.84Å |
| 318 | N | 98.1 | Very high | 96.5 | Very high | 84 Ų | 84 | 35.2 Ų | 35.2 | 45% | 0.449 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.4 | -39.2 | 178.1 | -70.2 | -31.2 | 0 | 0 | 0 | 111.8 | Q314 D315 M316 I320 G321 I322 | Q314-N318 WeakPolarHBondContact O-CB 3.45Å; Q314-N318 PolarHBondContact O-N 3.33Å; Q314-N318 PolarHBondContact O-ND2 3.03Å; D315-N318 PolarHBondContact O-N 3.35Å; M316-N318 VanDerWaalsContact C-N 3.35Å; M316-N318 PolarHBondContact O-N 2.91Å; N318-I320 VanDerWaalsContact C-N 3.33Å; N318-I320 PolarHBondContact O-N 3.35Å; N318-G321 PolarHBondContact O-N 3.35Å; N318-I322 VanDerWaalsContact O-CG1 3.3Å; N318-I322 WeakPolarHBondContact O-CG1 3.4Å; N318-I322 PolarHBondContact O-N 3.46Å |
| 319 | R | 97.5 | Very high | 96.3 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 175 | -71.9 | 163.1 | -179.3 | -81.4 | -6.2 | 112.2 | D315 M316 I322 H323 Y557 L576 | D315-R319 WeakPolarHBondContact O-CD 3.48Å; D315-R319 VanDerWaalsContact O-CG 3.25Å; D315-R319 WeakPolarHBondContact O-CG 3.27Å; D315-R319 PolarHBondContact O-N 2.87Å; D315-R319 VanDerWaalsContact O-N 3.09Å; D315-R319 IonicContact OD1-CZ 3.38Å; D315-R319 IonicContact OD1-NE 2.71Å; D315-R319 PolarHBondContact OD1-NE 2.93Å; D315-R319 IonicContact OD1-NH2 3.47Å; D315-R319 IonicContact OD2-NE 2.67Å; M316-R319 PolarHBondContact O-N 3.36Å; R319-I322 PolarHBondContact O-N 3.02Å; R319-H323 WeakPolarHBondContact O-CB 3.46Å; R319-H323 PolarHBondContact O-N 3.04Å; R319-Y557 VanDerWaalsContact CZ-CE2 3.48Å; R319-Y557 PolarHBondContact NH2-OH 2.84Å; R319-L576 HydrophobicContact CB-CD2 3.76Å |
| 320 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.5 | -46 | 173.8 | -67.1 | 160.7 | 0 | 0 | 0 | 110.4 | L309 M316 A317 N318 I322 H323 M324 T492 Y496 L576 | L309-I320 HydrophobicContact CD1-CD1 3.58Å; M316-I320 WeakPolarHBondContact O-CD1 3.48Å; M316-I320 VanDerWaalsContact O-CG1 3.27Å; M316-I320 WeakPolarHBondContact O-CG1 3.47Å; M316-I320 PolarHBondContact O-N 3.12Å; A317-I320 PolarHBondContact O-N 2.84Å; N318-I320 VanDerWaalsContact C-N 3.33Å; N318-I320 PolarHBondContact O-N 3.35Å; I320-I322 PolarHBondContact O-N 3.46Å; I320-H323 PolarHBondContact O-N 2.89Å; I320-M324 HydrophobicContact CG2-CG 4.26Å; I320-M324 HydrophobicContact CG2-SD 3.84Å; I320-M324 WeakPolarHBondContact O-CB 3.34Å; I320-M324 VanDerWaalsContact O-CG 3.27Å; I320-M324 WeakPolarHBondContact O-CG 3.43Å; I320-M324 PolarHBondContact O-N 3.16Å; I320-T492 HydrophobicContact CG2-CG2 3.71Å; I320-Y496 HydrophobicContact CD1-CD1 3.71Å; I320-Y496 HydrophobicContact CD1-CG 3.79Å; I320-L576 HydrophobicContact CD1-CD1 4.38Å; I320-L576 HydrophobicContact CG1-CD1 3.65Å; I320-L576 HydrophobicContact CG1-CD2 4.1Å |
| 321 | G | 98.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.5 | -50.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L308 A317 N318 H323 M324 E325 | L308-G321 VanDerWaalsContact CD1-CA 3.41Å; A317-G321 PolarHBondContact O-N 2.84Å; N318-G321 PolarHBondContact O-N 3.35Å; G321-H323 PolarHBondContact O-N 2.86Å; G321-M324 PolarHBondContact O-N 3.44Å; G321-E325 WeakPolarHBondContact O-CB 3.23Å; G321-E325 PolarHBondContact O-N 3.45Å |
| 322 | I | 98 | Very high | 97 | Very high | 91 Ų | 91 | 32.6 Ų | 32.6 | 47% | 0.467 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.5 | -62.8 | 164 | 0 | 0 | 0 | 110.6 | N318 R319 I320 E325 S326 | N318-I322 VanDerWaalsContact O-CG1 3.3Å; N318-I322 WeakPolarHBondContact O-CG1 3.4Å; N318-I322 PolarHBondContact O-N 3.46Å; R319-I322 PolarHBondContact O-N 3.02Å; I320-I322 PolarHBondContact O-N 3.46Å; I322-E325 PolarHBondContact O-N 2.94Å; I322-S326 WeakPolarHBondContact O-CB 3.35Å; I322-S326 PolarHBondContact O-N 2.82Å; I322-S326 PolarHBondContact O-OG 3.23Å |
| 323 | H | 98 | Very high | 97 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 175.8 | 171.8 | -97.6 | 0 | 0 | 0 | 111.6 | R319 I320 G321 E325 V327 A328 L494 D552 H555 | R319-H323 WeakPolarHBondContact O-CB 3.46Å; R319-H323 PolarHBondContact O-N 3.04Å; I320-H323 PolarHBondContact O-N 2.89Å; G321-H323 PolarHBondContact O-N 2.86Å; H323-E325 VanDerWaalsContact C-N 3.29Å; H323-E325 PolarHBondContact O-N 2.83Å; H323-V327 WeakPolarHBondContact O-CA 3.31Å; H323-V327 VanDerWaalsContact O-CB 3.29Å; H323-V327 WeakPolarHBondContact O-CB 3.42Å; H323-V327 PolarHBondContact O-N 3.14Å; H323-A328 PolarHBondContact O-N 3.21Å; H323-L494 VanDerWaalsContact CE1-CB 3.43Å; H323-L494 WeakPolarHBondContact CE1-CB 3.42Å; H323-L494 PolarHBondContact CE1-N 3.24Å; H323-D552 IonicContact CD2-OD1 2.66Å; H323-D552 IonicContact CE1-OD1 2.85Å; H323-D552 IonicContact NE2-OD1 3.9Å; H323-D552 PolarHBondContact NE2-OD1 3.21Å; H323-H555 HydrophobicContact CB-CB 3.99Å; H323-H555 AromaticContact CD2-CD2 3.77Å |
| 324 | M | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -62.1 | -38.1 | 179.7 | -73.7 | -177.8 | 71.3 | 0 | 0 | 111.9 | L287 A290 I320 G321 A328 G329 V330 F332 T492 P493 | L287-M324 HydrophobicContact CB-CE 4.22Å; L287-M324 HydrophobicContact CB-SD 4.09Å; L287-M324 HydrophobicContact CD2-CE 4.27Å; L287-M324 HydrophobicContact CD2-SD 4.25Å; L287-M324 WeakPolarHBondContact O-CE 3.35Å; A290-M324 HydrophobicContact CB-CE 4.15Å; I320-M324 HydrophobicContact CG2-CG 4.26Å; I320-M324 HydrophobicContact CG2-SD 3.84Å; I320-M324 WeakPolarHBondContact O-CB 3.34Å; I320-M324 VanDerWaalsContact O-CG 3.27Å; I320-M324 WeakPolarHBondContact O-CG 3.43Å; I320-M324 PolarHBondContact O-N 3.16Å; G321-M324 PolarHBondContact O-N 3.44Å; M324-A328 CarbonylContact O-C 3.56Å; M324-A328 WeakPolarHBondContact O-CB 3.47Å; M324-A328 PolarHBondContact O-N 3.4Å; M324-G329 PolarHBondContact O-N 3.24Å; M324-V330 HydrophobicContact CB-CB 4.31Å; M324-V330 HydrophobicContact CB-CG2 4.37Å; M324-V330 HydrophobicContact CE-CB 4.47Å; M324-V330 HydrophobicContact CE-CG1 4.39Å; M324-V330 HydrophobicContact CE-CG2 3.96Å; M324-V330 WeakPolarHBondContact O-CB 3.21Å; M324-V330 PolarHBondContact O-N 3.24Å; M324-F332 HydrophobicContact CB-CE2 3.85Å; M324-F332 HydrophobicContact CB-CZ 3.96Å; M324-F332 HydrophobicContact CE-CZ 4.41Å; M324-F332 HydrophobicContact SD-CZ 4.39Å; M324-T492 HydrophobicContact SD-CG2 3.65Å; M324-P493 HydrophobicContact CG-CG 4.45Å |
| 325 | E | 97.7 | Very high | 96.2 | Very high | 98 Ų | 98 | 38 Ų | 38 | 46% | 0.458 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -74.2 | -56.8 | 179.1 | -171.4 | 168.1 | -149.4 | 0 | 0 | 112.3 | G321 I322 H323 G329 V330 F332 | G321-E325 WeakPolarHBondContact O-CB 3.23Å; G321-E325 PolarHBondContact O-N 3.45Å; I322-E325 PolarHBondContact O-N 2.94Å; H323-E325 VanDerWaalsContact C-N 3.29Å; H323-E325 PolarHBondContact O-N 2.83Å; E325-G329 WeakPolarHBondContact O-CA 3.27Å; E325-G329 PolarHBondContact O-N 3.06Å; E325-V330 WeakPolarHBondContact CA-O 3.16Å; E325-F332 HydrophobicContact CB-CD2 3.89Å; E325-F332 HydrophobicContact CB-CE2 4.08Å; E325-F332 HydrophobicContact CG-CD2 4.27Å |
| 326 | S | 95.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 36.8 Ų | 36.8 | 55% | 0.552 | 20% | 0.199 | S | C | * | . | I | π-helix | trans | -81.1 | -30.2 | -170.8 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | I322 | I322-S326 WeakPolarHBondContact O-CB 3.35Å; I322-S326 PolarHBondContact O-N 2.82Å; I322-S326 PolarHBondContact O-OG 3.23Å |
| 327 | V | 93.6 | Very high | 93.6 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 17% | 0.17 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -106.9 | -48 | -177.1 | 178.6 | 0 | 0 | 0 | 0 | 111.4 | R174 H323 V551 | R174-V327 PolarHBondContact NH2-O 3.08Å; H323-V327 WeakPolarHBondContact O-CA 3.31Å; H323-V327 VanDerWaalsContact O-CB 3.29Å; H323-V327 WeakPolarHBondContact O-CB 3.42Å; H323-V327 PolarHBondContact O-N 3.14Å; V327-V551 HydrophobicContact CB-CG2 4.39Å; V327-V551 HydrophobicContact CG1-CG2 3.69Å; V327-V551 HydrophobicContact CG2-CG2 3.97Å |
| 328 | A | 92.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -77.8 | -24.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R174 R294 H323 M324 V330 P493 | R174-A328 VanDerWaalsContact CZ-O 3.3Å; R174-A328 PolarHBondContact NH1-O 2.85Å; R174-A328 PolarHBondContact NH2-O 3.05Å; R294-A328 WeakPolarHBondContact CD-O 3.38Å; R294-A328 WeakPolarHBondContact CG-O 3.4Å; R294-A328 PolarHBondContact NE-O 2.86Å; H323-A328 PolarHBondContact O-N 3.21Å; M324-A328 CarbonylContact O-C 3.56Å; M324-A328 WeakPolarHBondContact O-CB 3.47Å; M324-A328 PolarHBondContact O-N 3.4Å; A328-V330 HydrophobicContact CB-CG2 4.38Å; A328-P493 HydrophobicContact CB-CB 4.3Å; A328-P493 HydrophobicContact CB-CG 4.12Å |
| 329 | G | 94 | Very high | 88.8 | Confident | 33 Ų | 33 | 43.9 Ų | 43.9 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | trans | 75.5 | 27.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R294 M324 E325 | R294-G329 WeakPolarHBondContact CD-O 3.45Å; R294-G329 PolarHBondContact NE-O 2.82Å; M324-G329 PolarHBondContact O-N 3.24Å; E325-G329 WeakPolarHBondContact O-CA 3.27Å; E325-G329 PolarHBondContact O-N 3.06Å | ||
| 330 | V | 98 | Very high | 86.1 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | trans | -76 | 128.3 | 167.5 | 179 | 0 | 0 | 0 | 0 | 108.2 | A290 R294 V300 V302 M324 E325 A328 F332 | A290-V330 HydrophobicContact CB-CG1 4.36Å; R294-V330 HydrophobicContact CB-CG2 3.71Å; R294-V330 HydrophobicContact CG-CG2 3.69Å; V300-V330 HydrophobicContact CG1-CG1 4.43Å; V302-V330 HydrophobicContact CB-CG1 4.46Å; V302-V330 HydrophobicContact CG2-CG1 3.66Å; M324-V330 HydrophobicContact CB-CB 4.31Å; M324-V330 HydrophobicContact CB-CG2 4.37Å; M324-V330 HydrophobicContact CE-CB 4.47Å; M324-V330 HydrophobicContact CE-CG1 4.39Å; M324-V330 HydrophobicContact CE-CG2 3.96Å; M324-V330 WeakPolarHBondContact O-CB 3.21Å; M324-V330 PolarHBondContact O-N 3.24Å; E325-V330 WeakPolarHBondContact CA-O 3.16Å; A328-V330 HydrophobicContact CB-CG2 4.38Å; V330-F332 HydrophobicContact CB-CE2 4.02Å; V330-F332 HydrophobicContact CG1-CD2 4.36Å; V330-F332 HydrophobicContact CG1-CE2 3.84Å; V330-F332 HydrophobicContact CG1-CZ 4.14Å; V330-F332 WeakPolarHBondContact O-CD2 3.31Å | ||
| 331 | K | 98.2 | Very high | 83.1 | Confident | 95 Ų | 95 | 50 Ų | 50 | 41% | 0.413 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 143.5 | 175.8 | -62.4 | 165.1 | -175 | 162.6 | 0 | 109.7 | D299 V300 T301 V302 | D299-K331 WeakPolarHBondContact OD1-CE 3.2Å; D299-K331 IonicContact OD1-NZ 3.9Å; D299-K331 PolarHBondContact OD1-NZ 2.87Å; D299-K331 IonicContact OD2-NZ 2.71Å; D299-K331 PolarHBondContact OD2-NZ 2.64Å; V300-K331 PolarHBondContact O-N 2.61Å; T301-K331 CarbonylContact C-O 3.47Å; T301-K331 VanDerWaalsContact CA-O 3.29Å; T301-K331 WeakPolarHBondContact CA-O 3.48Å; T301-K331 HydrophobicContact CG2-CB 4.03Å; V302-K331 PolarHBondContact N-O 2.68Å |
| 332 | F | 97.5 | Very high | 79.8 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 10% | 0.096 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.8 | 174.3 | -74 | -95.5 | 0 | 0 | 0 | 111.7 | L287 V302 V304 L308 M324 E325 V330 H334 | L287-F332 HydrophobicContact CD2-CE1 4.01Å; L287-F332 HydrophobicContact CD2-CZ 4.3Å; V302-F332 HydrophobicContact CB-CD1 3.8Å; V302-F332 HydrophobicContact CB-CE1 3.75Å; V302-F332 HydrophobicContact CB-CZ 4.44Å; V302-F332 HydrophobicContact CG1-CD1 4.04Å; V302-F332 HydrophobicContact CG1-CE1 3.86Å; V302-F332 HydrophobicContact CG2-CE1 4.22Å; V302-F332 HydrophobicContact CG2-CZ 4.5Å; V302-F332 WeakPolarHBondContact O-CA 3.36Å; V304-F332 HydrophobicContact CG2-CD1 3.7Å; V304-F332 HydrophobicContact CG2-CE1 4.35Å; L308-F332 HydrophobicContact CD1-CE1 4.44Å; L308-F332 HydrophobicContact CD2-CD1 4.37Å; L308-F332 HydrophobicContact CD2-CE1 4Å; M324-F332 HydrophobicContact CB-CE2 3.85Å; M324-F332 HydrophobicContact CB-CZ 3.96Å; M324-F332 HydrophobicContact CE-CZ 4.41Å; M324-F332 HydrophobicContact SD-CZ 4.39Å; E325-F332 HydrophobicContact CB-CD2 3.89Å; E325-F332 HydrophobicContact CB-CE2 4.08Å; E325-F332 HydrophobicContact CG-CD2 4.27Å; V330-F332 HydrophobicContact CB-CE2 4.02Å; V330-F332 HydrophobicContact CG1-CD2 4.36Å; V330-F332 HydrophobicContact CG1-CE2 3.84Å; V330-F332 HydrophobicContact CG1-CZ 4.14Å; V330-F332 WeakPolarHBondContact O-CD2 3.31Å; F332-H334 WeakPolarHBondContact CB-NE2 3.26Å |
| 333 | I | 95 | Very high | 76.5 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 105.4 | 170.2 | -59.9 | 167 | 0 | 0 | 0 | 107 | T301 V302 V304 C336 I379 | T301-I333 HydrophobicContact CG2-CD1 3.44Å; T301-I333 VanDerWaalsContact CG2-CD1 3.44Å; T301-I333 HydrophobicContact CG2-CG1 3.67Å; V302-I333 PolarHBondContact O-N 2.58Å; V304-I333 PolarHBondContact N-O 3.01Å; I333-C336 WeakPolarHBondContact CG2-SG 3.35Å; I333-I379 HydrophobicContact CB-CD1 4.36Å; I333-I379 HydrophobicContact CD1-CD1 3.81Å; I333-I379 HydrophobicContact CG1-CD1 4.33Å; I333-I379 HydrophobicContact CG2-CD1 3.25Å |
| 334 | H | 92.7 | Very high | 73.1 | Confident | 74 Ų | 74 | 56.4 Ų | 56.4 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | trans | -86.7 | 159.1 | 180 | -69.2 | -91.8 | 0 | 0 | 0 | 113 | V304 F332 C336 | V304-H334 CarbonylContact O-C 3.53Å; F332-H334 WeakPolarHBondContact CB-NE2 3.26Å; H334-C336 PolarHBondContact O-N 3.25Å | ||
| 335 | N | 86.4 | Confident | 69.9 | Low | 83 Ų | 83 | 64.1 Ų | 64.1 | 44% | 0.444 | 35% | 0.353 | S | S | . | . | trans | 64.2 | 27.5 | 170.5 | -57.5 | -38.6 | 0 | 0 | 0 | 115.8 | V304 K373 S374 | V304-N335 PolarHBondContact O-N 3.45Å; N335-K373 CarbonylContact O-C 3.46Å; N335-K373 WeakPolarHBondContact O-CA 3.25Å; N335-S374 PolarHBondContact O-N 2.95Å; N335-S374 PolarHBondContact O-OG 3.33Å | ||
| 336 | C | 77.4 | Confident | 67.1 | Low | 7 Ų | 7 | 64.7 Ų | 64.7 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -81.9 | 118.9 | 173.2 | -68.6 | 0 | 0 | 0 | 0 | 111.5 | M303 V304 R305 I333 H334 | M303-C336 HydrophobicContact CG-CB 3.6Å; M303-C336 HydrophobicContact SD-CB 3.69Å; V304-C336 PolarHBondContact O-N 2.83Å; R305-C336 WeakPolarHBondContact CA-O 3.28Å; I333-C336 WeakPolarHBondContact CG2-SG 3.35Å; H334-C336 PolarHBondContact O-N 3.25Å |
| 337 | I | 63.5 | Low | 63.8 | Low | 61 Ų | 61 | 65.9 Ų | 65.9 | 31% | 0.313 | 38% | 0.378 | S | S | . | . | trans | -123.7 | 122.8 | -176 | -56.1 | 176.5 | 0 | 0 | 0 | 110.3 | K339 S353 S374 | I337-K339 PolarHBondContact O-N 3.41Å; I337-S353 WeakPolarHBondContact O-CB 3.36Å; I337-S353 PolarHBondContact O-OG 3.19Å; I337-S374 WeakPolarHBondContact CD1-OG 3.4Å; I337-S374 WeakPolarHBondContact CG1-OG 3.28Å | ||
| 338 | P | 52.8 | Low | 60.7 | Low | 63 Ų | 63 | 72.6 Ų | 72.6 | 41% | 0.409 | 41% | 0.405 | S | S | . | . | trans | -48.9 | 107.8 | 163.6 | -26.3 | 36 | 0 | 0 | 0 | 111.6 | S353 | P338-S353 WeakPolarHBondContact CA-OG 3.39Å; P338-S353 VanDerWaalsContact N-OG 3.08Å | ||
| 339 | K | 42.8 | Very low | 57.7 | Low | 108 Ų | 108 | 80.9 Ų | 80.9 | 47% | 0.47 | 44% | 0.436 | S | S | . | . | trans | -74.1 | 163.5 | 179.3 | -105 | -167.1 | -175.3 | 172.4 | 0 | 112.3 | I337 D351 E372 | I337-K339 PolarHBondContact O-N 3.41Å; K339-D351 CarbonylContact C-O 3.5Å; K339-E372 WeakPolarHBondContact CD-OE2 3.14Å; K339-E372 WeakPolarHBondContact CE-OE1 3.34Å; K339-E372 IonicContact NZ-OE1 2.8Å; K339-E372 PolarHBondContact NZ-OE1 2.92Å; K339-E372 IonicContact NZ-OE2 2.94Å | ||
| 340 | R | 39.4 | Very low | 55 | Low | 152 Ų | 152 | 82.5 Ų | 82.5 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | trans | -67.7 | 146.3 | -174 | 162.3 | -175.9 | 174.7 | -166.7 | -1.3 | 112.9 | S342 | R340-S342 PolarHBondContact O-N 3.48Š| ||
| 341 | A | 35.4 | Very low | 52.4 | Low | 17 Ų | 17 | 86.5 Ų | 86.5 | 14% | 0.14 | 46% | 0.46 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 106 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | S343 F348 V350 | A341-S343 PolarHBondContact O-N 3.2Å; A341-F348 HydrophobicContact CB-CD1 4.35Å; A341-V350 HydrophobicContact CB-CG2 4.21Å |
| 342 | S | 29.9 | Very low | 50.5 | Low | 43 Ų | 43 | 85.2 Ų | 85.2 | 30% | 0.301 | 46% | 0.456 | S | S | . | . | trans | -73.7 | 118.3 | 173.5 | 41.1 | 0 | 0 | 0 | 0 | 108.6 | R340 C344 | R340-S342 PolarHBondContact O-N 3.48Å; S342-C344 PolarHBondContact O-N 3.09Å; S342-C344 PolarHBondContact O-SG 3.21Å | ||
| 343 | S | 28.7 | Very low | 49.2 | Very low | 106 Ų | 106 | 84.5 Ų | 84.5 | 74% | 0.741 | 45% | 0.454 | S | S | * | . | trans | -66.3 | 84 | 166.8 | 47.6 | 0 | 0 | 0 | 0 | 109.5 | A341 | A341-S343 PolarHBondContact O-N 3.2Š| ||
| 344 | C | 26.8 | Very low | 48.7 | Very low | 83 Ų | 83 | 83.6 Ų | 83.6 | 56% | 0.561 | 45% | 0.449 | S | S | * | . | trans | -118.8 | 111.6 | 161.1 | 41.2 | 0 | 0 | 0 | 0 | 106.7 | S342 | S342-C344 PolarHBondContact O-N 3.09Å; S342-C344 PolarHBondContact O-SG 3.21Å | ||
| 345 | N | 30.7 | Very low | 48.5 | Very low | 162 Ų | 162 | 82.8 Ų | 82.8 | 87% | 0.866 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 27.9 | 104.7 | 168.1 | -63.4 | -13.6 | 0 | 0 | 0 | 117.6 | V347 | N345-V347 VanDerWaalsContact C-N 3.31Å; N345-V347 PolarHBondContact O-N 3.48Å |
| 346 | A | 38.4 | Very low | 48.7 | Very low | 110 Ų | 110 | 79.2 Ų | 79.2 | 91% | 0.909 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -0.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||
| 347 | V | 27.3 | Very low | 49.5 | Very low | 103 Ų | 103 | 83.4 Ų | 83.4 | 62% | 0.624 | 45% | 0.451 | S | S | * | . | trans | -135.9 | 110.5 | 167.5 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | N345 R349 | N345-V347 VanDerWaalsContact C-N 3.31Å; N345-V347 PolarHBondContact O-N 3.48Å; V347-R349 VanDerWaalsContact C-N 3.3Å; V347-R349 HydrophobicContact CG1-CG 4.29Å; V347-R349 PolarHBondContact O-N 2.85Å | ||
| 348 | F | 27.9 | Very low | 51 | Low | 169 Ų | 169 | 85.2 Ų | 85.2 | 74% | 0.741 | 45% | 0.454 | S | S | * | . | trans | -64 | 90.6 | 168.9 | -78.4 | -91.6 | 0 | 0 | 0 | 109 | A341 V350 | A341-F348 HydrophobicContact CB-CD1 4.35Å; F348-V350 PolarHBondContact O-N 3.26Å | ||
| 349 | R | 28.3 | Very low | 53.1 | Low | 177 Ų | 177 | 86.1 Ų | 86.1 | 67% | 0.668 | 46% | 0.455 | S | S | * | . | trans | -83.5 | 107.4 | 159.1 | -65.4 | -177.8 | 72.2 | 99.9 | -1.5 | 106.5 | V347 D351 | V347-R349 VanDerWaalsContact C-N 3.3Å; V347-R349 HydrophobicContact CG1-CG 4.29Å; V347-R349 PolarHBondContact O-N 2.85Å; R349-D351 PolarHBondContact O-N 3.1Å | ||
| 350 | V | 37.3 | Very low | 55.6 | Low | 66 Ų | 66 | 86.7 Ų | 86.7 | 40% | 0.4 | 46% | 0.46 | S | S | . | . | B | Isolated β-bridge | trans | -78 | 95.5 | 166.2 | -171 | 0 | 0 | 0 | 0 | 105.6 | A341 F348 H352 | A341-V350 HydrophobicContact CB-CG2 4.21Å; F348-V350 PolarHBondContact O-N 3.26Å; V350-H352 VanDerWaalsContact C-N 3.3Å; V350-H352 WeakPolarHBondContact CG1-CE1 3.37Å; V350-H352 WeakPolarHBondContact CG1-ND1 3.45Å; V350-H352 PolarHBondContact O-N 3.4Å |
| 351 | D | 44.5 | Very low | 58.2 | Low | 85 Ų | 85 | 86 Ų | 86 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | trans | -70.9 | 95.1 | 170 | -75.6 | -16.3 | 0 | 0 | 0 | 107.3 | K339 R349 S353 | K339-D351 CarbonylContact C-O 3.5Å; R349-D351 PolarHBondContact O-N 3.1Å; D351-S353 PolarHBondContact O-N 3.26Å | ||
| 352 | H | 57 | Low | 60.8 | Low | 69 Ų | 69 | 87.1 Ų | 87.1 | 32% | 0.319 | 48% | 0.477 | S | S | . | . | trans | -69 | 124.4 | 173.3 | -58.7 | -59.6 | 0 | 0 | 0 | 108.3 | N253 I254 P255 V350 L354 | N253-H352 PolarHBondContact O-CE1 3Å; I254-H352 HydrophobicContact CB-CB 4.34Å; I254-H352 HydrophobicContact CG2-CB 3.82Å; I254-H352 WeakPolarHBondContact CG2-ND1 3.43Å; P255-H352 VanDerWaalsContact CD-CD2 3.49Å; P255-H352 WeakPolarHBondContact CD-CD2 3.44Å; V350-H352 VanDerWaalsContact C-N 3.3Å; V350-H352 WeakPolarHBondContact CG1-CE1 3.37Å; V350-H352 WeakPolarHBondContact CG1-ND1 3.45Å; V350-H352 PolarHBondContact O-N 3.4Å; H352-L354 WeakPolarHBondContact CB-O 2.99Å; H352-L354 PolarHBondContact O-N 3.17Å | ||
| 353 | S | 71.9 | Confident | 63.7 | Low | 7 Ų | 7 | 92.6 Ų | 92.6 | 5% | 0.049 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -68 | 1.5 | 173.2 | 78.4 | 0 | 0 | 0 | 0 | 113.6 | I337 P338 D351 A371 E372 | I337-S353 WeakPolarHBondContact O-CB 3.36Å; I337-S353 PolarHBondContact O-OG 3.19Å; P338-S353 WeakPolarHBondContact CA-OG 3.39Å; P338-S353 VanDerWaalsContact N-OG 3.08Å; D351-S353 PolarHBondContact O-N 3.26Å; S353-A371 CarbonylContact O-C 3.59Å; S353-A371 WeakPolarHBondContact O-CA 3.08Å; S353-E372 PolarHBondContact O-N 3.02Å |
| 354 | L | 83.5 | Confident | 66.6 | Low | 11 Ų | 11 | 89.7 Ų | 89.7 | 6% | 0.058 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 122.9 | -177.6 | -173.4 | 69.2 | 0 | 0 | 0 | 105.9 | L252 I254 M303 H352 I356 V369 V370 A371 | L252-L354 HydrophobicContact CD1-CD2 3.55Å; I254-L354 HydrophobicContact CD1-CB 3.93Å; I254-L354 HydrophobicContact CD1-CD2 3.83Å; I254-L354 HydrophobicContact CD1-CG 3.85Å; I254-L354 VanDerWaalsContact CD1-O 3.25Å; I254-L354 WeakPolarHBondContact CD1-O 3.33Å; M303-L354 HydrophobicContact CE-CD1 4.03Å; M303-L354 HydrophobicContact SD-CD1 4.18Å; H352-L354 WeakPolarHBondContact CB-O 2.99Å; H352-L354 PolarHBondContact O-N 3.17Å; L354-I356 HydrophobicContact CD2-CD1 4.3Å; L354-I356 HydrophobicContact CG-CG1 4.38Å; L354-V369 HydrophobicContact CD1-CG1 3.46Å; L354-V369 VanDerWaalsContact CD1-CG1 3.46Å; L354-V370 CarbonylContact C-O 3.41Å; L354-V370 VanDerWaalsContact CA-O 3.29Å; L354-V370 WeakPolarHBondContact CA-O 3.25Å; L354-A371 HydrophobicContact CD1-CB 3.64Å |
| 355 | S | 87.7 | Confident | 69.7 | Low | 56 Ų | 56 | 86.4 Ų | 86.4 | 39% | 0.392 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 140.5 | 171 | 64 | 0 | 0 | 0 | 0 | 109.4 | V369 V370 | S355-V369 WeakPolarHBondContact O-CA 3.35Å; S355-V370 PolarHBondContact N-O 3.07Å; S355-V370 PolarHBondContact O-N 3.1Å; S355-V370 WeakPolarHBondContact OG-CB 3.44Å |
| 356 | I | 91.3 | Very high | 72.9 | Confident | 9 Ų | 9 | 80.2 Ų | 80.2 | 5% | 0.046 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 115.4 | -177 | -54.3 | 177.9 | 0 | 0 | 0 | 107.6 | I254 C261 L354 L367 R368 V369 V386 | I254-I356 HydrophobicContact CD1-CD1 4.12Å; I254-I356 HydrophobicContact CD1-CG1 4.25Å; C261-I356 WeakPolarHBondContact SG-CD1 3.47Å; L354-I356 HydrophobicContact CD2-CD1 4.3Å; L354-I356 HydrophobicContact CG-CG1 4.38Å; I356-L367 HydrophobicContact CG2-CB 4.46Å; I356-L367 HydrophobicContact CG2-CD1 4.37Å; I356-R368 WeakPolarHBondContact CA-O 3.26Å; I356-V369 HydrophobicContact CG1-CG2 4.44Å; I356-V386 HydrophobicContact CD1-CG1 4.12Å |
| 357 | E | 93.7 | Very high | 75.7 | Confident | 94 Ų | 94 | 75.4 Ų | 75.4 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 138.1 | -178.6 | 178.5 | -179.7 | -161.9 | 0 | 0 | 109 | L367 R368 | E357-L367 CarbonylContact O-C 3.57Å; E357-L367 VanDerWaalsContact O-CA 3.3Å; E357-L367 WeakPolarHBondContact O-CA 3.33Å; E357-R368 HydrophobicContact CB-CB 4.39Å; E357-R368 PolarHBondContact N-O 3.01Å; E357-R368 PolarHBondContact O-N 2.86Å; E357-R368 IonicContact OE2-CZ 3.66Å; E357-R368 IonicContact OE2-NH1 2.6Å; E357-R368 PolarHBondContact OE2-NH1 3.09Å |
| 358 | R | 95.4 | Very high | 79 | Confident | 99 Ų | 99 | 74 Ų | 74 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 115.7 | 175.6 | -176.7 | 177 | 58.1 | -178.6 | -3.3 | 109.8 | Y260 E360 E361 L367 | Y260-R358 HydrophobicContact CD1-CB 4.22Å; Y260-R358 HydrophobicContact CD2-CB 4.14Å; Y260-R358 HydrophobicContact CE1-CB 4.15Å; Y260-R358 HydrophobicContact CE2-CB 4.05Å; Y260-R358 HydrophobicContact CG-CB 4.24Å; R358-E360 WeakPolarHBondContact CG-O 3.47Å; R358-E361 IonicContact CZ-OE1 2.86Å; R358-E361 IonicContact CZ-OE2 3.03Å; R358-E361 IonicContact NE-OE1 2.67Å; R358-E361 PolarHBondContact NE-OE1 3.47Å; R358-E361 IonicContact NE-OE2 2.71Å; R358-E361 IonicContact NH1-OE1 2.83Å; R358-E361 PolarHBondContact NH1-OE1 3.34Å; R358-E361 IonicContact NH1-OE2 3.04Å; R358-E361 PolarHBondContact NH1-OE2 3.13Å; R358-E361 IonicContact NH2-OE1 3.23Å; R358-E361 PolarHBondContact NH2-OE1 2.86Å; R358-E361 IonicContact NH2-OE2 3.85Å; R358-L367 HydrophobicContact CB-CD2 3.76Å; R358-L367 HydrophobicContact CG-CD2 3.92Å |
| 359 | L | 96.2 | Very high | 82.2 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 44% | 0.435 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -41.2 | 177.6 | -60.8 | -177.3 | 0 | 0 | 0 | 112 | L366 R368 T382 | L359-L366 HydrophobicContact CB-CB 4.41Å; L359-L366 HydrophobicContact CB-CD2 4.38Å; L359-L366 HydrophobicContact CB-CG 4.47Å; L359-L366 HydrophobicContact CD1-CD2 4.12Å; L359-L366 HydrophobicContact CD1-CG 4.4Å; L359-L366 PolarHBondContact N-O 3.42Å; L359-R368 HydrophobicContact CD1-CB 3.87Å; L359-R368 HydrophobicContact CD2-CB 3.98Å; L359-R368 HydrophobicContact CG-CB 3.8Å; L359-T382 HydrophobicContact CD1-CG2 3.91Å |
| 360 | E | 96.2 | Very high | 85.2 | Confident | 120 Ų | 120 | 59 Ų | 59 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.9 | -177.9 | -60.8 | 176.3 | -164.5 | 0 | 0 | 110.7 | R358 G365 L366 | R358-E360 WeakPolarHBondContact CG-O 3.47Å; E360-G365 WeakPolarHBondContact O-CA 3.05Å; E360-L366 HydrophobicContact CB-CB 3.77Å; E360-L366 HydrophobicContact CG-CB 3.98Å; E360-L366 HydrophobicContact CG-CD2 4.31Å; E360-L366 PolarHBondContact N-O 2.88Å; E360-L366 PolarHBondContact O-N 2.96Å; E360-L366 VanDerWaalsContact O-N 3.1Å |
| 361 | E | 94 | Very high | 87.7 | Confident | 136 Ų | 136 | 56 Ų | 56 | 64% | 0.636 | 29% | 0.287 | S | S | * | . | trans | -72.5 | 141.7 | 168.2 | -68.6 | -72.6 | -170.9 | 0 | 0 | 110.2 | R358 | R358-E361 IonicContact CZ-OE1 2.86Å; R358-E361 IonicContact CZ-OE2 3.03Å; R358-E361 IonicContact NE-OE1 2.67Å; R358-E361 PolarHBondContact NE-OE1 3.47Å; R358-E361 IonicContact NE-OE2 2.71Å; R358-E361 IonicContact NH1-OE1 2.83Å; R358-E361 PolarHBondContact NH1-OE1 3.34Å; R358-E361 IonicContact NH1-OE2 3.04Å; R358-E361 PolarHBondContact NH1-OE2 3.13Å; R358-E361 IonicContact NH2-OE1 3.23Å; R358-E361 PolarHBondContact NH2-OE1 2.86Å; R358-E361 IonicContact NH2-OE2 3.85Å | ||
| 362 | G | 90.1 | Very high | 89.7 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 43% | 0.433 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 165 | 179.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | P364 G365 | G362-P364 CarbonylContact C-O 3.59Å; G362-P364 VanDerWaalsContact C-O 3.31Å; G362-P364 CarbonylContact O-C 3.51Å; G362-G365 VanDerWaalsContact C-N 3.3Å; G362-G365 PolarHBondContact O-N 3.4Å |
| 363 | K | 90.2 | Very high | 91 | Very high | 158 Ų | 158 | 53 Ų | 53 | 69% | 0.687 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135 | 80.9 | 175.2 | -74.1 | -173.3 | -176.8 | 178.2 | 0 | 108.8 | Y272 | Y272-K363 WeakPolarHBondContact CB-O 3.18Å; Y272-K363 HydrophobicContact CD1-CB 3.46Å; Y272-K363 VanDerWaalsContact CD1-CB 3.46Å; Y272-K363 HydrophobicContact CD1-CD 3.97Å; Y272-K363 HydrophobicContact CD1-CG 3.78Å; Y272-K363 HydrophobicContact CD2-CB 4.23Å; Y272-K363 HydrophobicContact CE1-CB 3.73Å; Y272-K363 HydrophobicContact CE1-CD 3.98Å; Y272-K363 HydrophobicContact CE1-CG 3.61Å; Y272-K363 HydrophobicContact CE2-CB 4.48Å; Y272-K363 HydrophobicContact CG-CB 3.71Å; Y272-K363 HydrophobicContact CG-CG 4.5Å |
| 364 | P | 89.7 | Confident | 91.4 | Very high | 45 Ų | 45 | 55.7 Ų | 55.7 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -79.8 | 157.1 | 3.3 | 33.5 | -34.7 | 0 | 0 | 0 | 113 | Y272 G362 N384 | Y272-P364 HydrophobicContact CD2-CB 3.88Å; Y272-P364 HydrophobicContact CD2-CG 4.42Å; Y272-P364 VanDerWaalsContact CD2-N 3.29Å; Y272-P364 VanDerWaalsContact CE2-CA 3.44Å; Y272-P364 HydrophobicContact CE2-CB 3.71Å; G362-P364 CarbonylContact C-O 3.59Å; G362-P364 VanDerWaalsContact C-O 3.31Å; G362-P364 CarbonylContact O-C 3.51Å; P364-N384 HydrophobicContact CB-CB 3.77Å; P364-N384 HydrophobicContact CG-CB 4.02Å |
| 365 | G | 92.6 | Very high | 91.3 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | trans | -84.3 | -164.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E360 G362 N384 | E360-G365 WeakPolarHBondContact O-CA 3.05Å; G362-G365 VanDerWaalsContact C-N 3.3Å; G362-G365 PolarHBondContact O-N 3.4Å; G365-N384 WeakPolarHBondContact O-CA 3.32Å; G365-N384 PolarHBondContact O-ND2 2.72Å | ||
| 366 | L | 97.9 | Very high | 91.1 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 17% | 0.173 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 124.8 | 170.5 | -167.7 | 67 | 0 | 0 | 0 | 109.7 | L359 E360 | L359-L366 HydrophobicContact CB-CB 4.41Å; L359-L366 HydrophobicContact CB-CD2 4.38Å; L359-L366 HydrophobicContact CB-CG 4.47Å; L359-L366 HydrophobicContact CD1-CD2 4.12Å; L359-L366 HydrophobicContact CD1-CG 4.4Å; L359-L366 PolarHBondContact N-O 3.42Å; E360-L366 HydrophobicContact CB-CB 3.77Å; E360-L366 HydrophobicContact CG-CB 3.98Å; E360-L366 HydrophobicContact CG-CD2 4.31Å; E360-L366 PolarHBondContact N-O 2.88Å; E360-L366 PolarHBondContact O-N 2.96Å; E360-L366 VanDerWaalsContact O-N 3.1Å |
| 367 | L | 97.7 | Very high | 90.9 | Very high | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.8 | 180 | -55.8 | 179.2 | 0 | 0 | 0 | 109.3 | Y260 I356 E357 R358 T382 Y383 V386 | Y260-L367 HydrophobicContact CG-CD2 4.26Å; I356-L367 HydrophobicContact CG2-CB 4.46Å; I356-L367 HydrophobicContact CG2-CD1 4.37Å; E357-L367 CarbonylContact O-C 3.57Å; E357-L367 VanDerWaalsContact O-CA 3.3Å; E357-L367 WeakPolarHBondContact O-CA 3.33Å; R358-L367 HydrophobicContact CB-CD2 3.76Å; R358-L367 HydrophobicContact CG-CD2 3.92Å; L367-T382 CarbonylContact O-C 3.6Å; L367-T382 VanDerWaalsContact O-CA 3.23Å; L367-T382 WeakPolarHBondContact O-CA 3.33Å; L367-Y383 WeakPolarHBondContact CA-O 3.39Å; L367-Y383 WeakPolarHBondContact CB-O 3.48Å; L367-Y383 PolarHBondContact N-O 3.14Å; L367-Y383 PolarHBondContact O-N 3.39Å; L367-V386 HydrophobicContact CD1-CB 4.3Å; L367-V386 HydrophobicContact CD1-CG2 3.85Å |
| 368 | R | 96.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 64.1 Ų | 64.1 | 28% | 0.283 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 127.1 | 166.9 | 178.9 | -179.8 | 168.7 | -135.7 | -1.7 | 108.7 | I356 E357 L359 V370 E380 | I356-R368 WeakPolarHBondContact CA-O 3.26Å; E357-R368 HydrophobicContact CB-CB 4.39Å; E357-R368 PolarHBondContact N-O 3.01Å; E357-R368 PolarHBondContact O-N 2.86Å; E357-R368 IonicContact OE2-CZ 3.66Å; E357-R368 IonicContact OE2-NH1 2.6Å; E357-R368 PolarHBondContact OE2-NH1 3.09Å; L359-R368 HydrophobicContact CD1-CB 3.87Å; L359-R368 HydrophobicContact CD2-CB 3.98Å; L359-R368 HydrophobicContact CG-CB 3.8Å; R368-V370 HydrophobicContact CG-CG2 4.38Å; R368-E380 HydrophobicContact CG-CG 4.46Å; R368-E380 IonicContact CZ-OE1 3.16Å; R368-E380 IonicContact CZ-OE2 3.92Å; R368-E380 IonicContact NE-OE1 2.76Å; R368-E380 PolarHBondContact NE-OE1 2.94Å; R368-E380 IonicContact NE-OE2 3.62Å; R368-E380 IonicContact NH2-OE1 3.62Å; R368-E380 PolarHBondContact NH2-OE1 3.47Å; R368-E380 IonicContact NH2-OE2 2.86Å; R368-E380 PolarHBondContact NH2-OE2 3.31Å; R368-E380 VanDerWaalsContact NH2-OE2 3.12Å |
| 369 | V | 94.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 120 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | L278 L354 S355 I356 E380 D381 Y383 V386 | L278-V369 HydrophobicContact CD2-CB 4.24Å; L278-V369 HydrophobicContact CD2-CG1 3.76Å; L278-V369 HydrophobicContact CD2-CG2 4.02Å; L354-V369 HydrophobicContact CD1-CG1 3.46Å; L354-V369 VanDerWaalsContact CD1-CG1 3.46Å; S355-V369 WeakPolarHBondContact O-CA 3.35Å; I356-V369 HydrophobicContact CG1-CG2 4.44Å; V369-E380 WeakPolarHBondContact O-CA 3.42Å; V369-D381 PolarHBondContact N-O 3.14Å; V369-D381 PolarHBondContact O-N 2.85Å; V369-Y383 HydrophobicContact CB-CD2 4.01Å; V369-Y383 HydrophobicContact CB-CE2 4.08Å; V369-Y383 HydrophobicContact CG2-CD2 3.72Å; V369-Y383 HydrophobicContact CG2-CE2 4.25Å; V369-V386 HydrophobicContact CG2-CG2 3.69Å |
| 370 | V | 91.8 | Very high | 90.4 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 16% | 0.158 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.7 | 169.6 | -173.6 | 0 | 0 | 0 | 0 | 107.1 | L354 S355 R368 I378 I379 E380 | L354-V370 CarbonylContact C-O 3.41Å; L354-V370 VanDerWaalsContact CA-O 3.29Å; L354-V370 WeakPolarHBondContact CA-O 3.25Å; S355-V370 PolarHBondContact N-O 3.07Å; S355-V370 PolarHBondContact O-N 3.1Å; S355-V370 WeakPolarHBondContact OG-CB 3.44Å; R368-V370 HydrophobicContact CG-CG2 4.38Å; V370-I378 HydrophobicContact CG1-CG2 3.57Å; V370-I379 CarbonylContact C-O 3.6Å; V370-I379 WeakPolarHBondContact CA-O 2.99Å; V370-E380 HydrophobicContact CG2-CB 4.31Å; V370-E380 HydrophobicContact CG2-CG 3.94Å |
| 371 | A | 89.3 | Confident | 90.4 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 3% | 0.025 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 155.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | M303 S353 L354 I378 I379 | M303-A371 HydrophobicContact CE-CB 3.63Å; M303-A371 HydrophobicContact SD-CB 4.39Å; S353-A371 CarbonylContact O-C 3.59Å; S353-A371 WeakPolarHBondContact O-CA 3.08Å; L354-A371 HydrophobicContact CD1-CB 3.64Å; A371-I378 WeakPolarHBondContact O-CA 3.11Å; A371-I379 HydrophobicContact CB-CD1 3.96Å; A371-I379 HydrophobicContact CB-CG1 3.7Å; A371-I379 PolarHBondContact N-O 2.88Å; A371-I379 WeakPolarHBondContact O-CG1 3.42Å; A371-I379 PolarHBondContact O-N 2.85Å |
| 372 | E | 85.6 | Confident | 90.6 | Very high | 40 Ų | 40 | 55.6 Ų | 55.6 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.5 | 174.4 | -164.3 | -170.2 | 157.2 | 0 | 0 | 110 | K339 S353 G376 E377 | K339-E372 WeakPolarHBondContact CD-OE2 3.14Å; K339-E372 WeakPolarHBondContact CE-OE1 3.34Å; K339-E372 IonicContact NZ-OE1 2.8Å; K339-E372 PolarHBondContact NZ-OE1 2.92Å; K339-E372 IonicContact NZ-OE2 2.94Å; S353-E372 PolarHBondContact O-N 3.02Å; E372-G376 WeakPolarHBondContact OE1-CA 3.48Å; E372-E377 WeakPolarHBondContact CA-O 3Å |
| 373 | K | 85.1 | Confident | 91 | Very high | 51 Ų | 51 | 54 Ų | 54 | 22% | 0.222 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 163.3 | 173.9 | -77 | 168.7 | 155.1 | 176.9 | 0 | 111.9 | N335 G375 G376 E377 I379 | N335-K373 CarbonylContact O-C 3.46Å; N335-K373 WeakPolarHBondContact O-CA 3.25Å; K373-G375 PolarHBondContact O-N 2.91Å; K373-G375 VanDerWaalsContact O-N 3.08Å; K373-G376 PolarHBondContact O-N 3.05Å; K373-E377 HydrophobicContact CB-CB 4.25Å; K373-E377 HydrophobicContact CD-CB 4.2Å; K373-E377 VanDerWaalsContact CD-CD 3.43Å; K373-E377 HydrophobicContact CD-CG 4.2Å; K373-E377 WeakPolarHBondContact CD-OE2 3.48Å; K373-E377 PolarHBondContact N-O 2.86Å; K373-E377 IonicContact NZ-OE1 2.83Å; K373-E377 PolarHBondContact NZ-OE1 3.4Å; K373-E377 IonicContact NZ-OE2 2.97Å; K373-E377 PolarHBondContact NZ-OE2 3.36Å; K373-I379 HydrophobicContact CD-CG2 4.16Å |
| 374 | S | 80.7 | Confident | 91.3 | Very high | 62 Ų | 62 | 48.8 Ų | 48.8 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 112.2 | 168.6 | -54.4 | 0 | 0 | 0 | 0 | 109 | N335 I337 | N335-S374 PolarHBondContact O-N 2.95Å; N335-S374 PolarHBondContact O-OG 3.33Å; I337-S374 WeakPolarHBondContact CD1-OG 3.4Å; I337-S374 WeakPolarHBondContact CG1-OG 3.28Å |
| 375 | G | 80.4 | Confident | 91.7 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 91% | 0.907 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117.9 | -10.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | K373 | K373-G375 PolarHBondContact O-N 2.91Å; K373-G375 VanDerWaalsContact O-N 3.08Å |
| 376 | G | 83.4 | Confident | 92 | Very high | 35 Ų | 35 | 46.3 Ų | 46.3 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | S | Bend | trans | 94 | 0.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E372 K373 I378 | E372-G376 WeakPolarHBondContact OE1-CA 3.48Å; K373-G376 PolarHBondContact O-N 3.05Å; G376-I378 PolarHBondContact O-N 3.04Å |
| 377 | E | 87.8 | Confident | 92 | Very high | 106 Ų | 106 | 44.7 Ų | 44.7 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | trans | -62.8 | 119.7 | 172.1 | -177.5 | -162.9 | 151.4 | 0 | 0 | 109.4 | E372 K373 I379 | E372-E377 WeakPolarHBondContact CA-O 3Å; K373-E377 HydrophobicContact CB-CB 4.25Å; K373-E377 HydrophobicContact CD-CB 4.2Å; K373-E377 VanDerWaalsContact CD-CD 3.43Å; K373-E377 HydrophobicContact CD-CG 4.2Å; K373-E377 WeakPolarHBondContact CD-OE2 3.48Å; K373-E377 PolarHBondContact N-O 2.86Å; K373-E377 IonicContact NZ-OE1 2.83Å; K373-E377 PolarHBondContact NZ-OE1 3.4Å; K373-E377 IonicContact NZ-OE2 2.97Å; K373-E377 PolarHBondContact NZ-OE2 3.36Å; E377-I379 HydrophobicContact CG-CG2 4.48Å | ||
| 378 | I | 90.1 | Very high | 91.9 | Very high | 119 Ų | 119 | 44.5 Ų | 44.5 | 61% | 0.61 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.9 | 173.4 | -60.4 | 175.3 | 0 | 0 | 0 | 108.1 | V370 A371 G376 | V370-I378 HydrophobicContact CG1-CG2 3.57Å; A371-I378 WeakPolarHBondContact O-CA 3.11Å; G376-I378 PolarHBondContact O-N 3.04Å |
| 379 | I | 90.9 | Very high | 91.9 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 18% | 0.179 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140 | 171 | 63.4 | 179.2 | 0 | 0 | 0 | 108.6 | M303 I333 V370 A371 K373 E377 | M303-I379 HydrophobicContact CE-CD1 4.48Å; I333-I379 HydrophobicContact CB-CD1 4.36Å; I333-I379 HydrophobicContact CD1-CD1 3.81Å; I333-I379 HydrophobicContact CG1-CD1 4.33Å; I333-I379 HydrophobicContact CG2-CD1 3.25Å; V370-I379 CarbonylContact C-O 3.6Å; V370-I379 WeakPolarHBondContact CA-O 2.99Å; A371-I379 HydrophobicContact CB-CD1 3.96Å; A371-I379 HydrophobicContact CB-CG1 3.7Å; A371-I379 PolarHBondContact N-O 2.88Å; A371-I379 WeakPolarHBondContact O-CG1 3.42Å; A371-I379 PolarHBondContact O-N 2.85Å; K373-I379 HydrophobicContact CD-CG2 4.16Å; E377-I379 HydrophobicContact CG-CG2 4.48Å |
| 380 | E | 94.5 | Very high | 91.8 | Very high | 113 Ų | 113 | 43.3 Ų | 43.3 | 53% | 0.528 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 130 | 177.9 | 178.1 | 168.1 | 163.1 | 0 | 0 | 108.8 | R368 V369 V370 | R368-E380 HydrophobicContact CG-CG 4.46Å; R368-E380 IonicContact CZ-OE1 3.16Å; R368-E380 IonicContact CZ-OE2 3.92Å; R368-E380 IonicContact NE-OE1 2.76Å; R368-E380 PolarHBondContact NE-OE1 2.94Å; R368-E380 IonicContact NE-OE2 3.62Å; R368-E380 IonicContact NH2-OE1 3.62Å; R368-E380 PolarHBondContact NH2-OE1 3.47Å; R368-E380 IonicContact NH2-OE2 2.86Å; R368-E380 PolarHBondContact NH2-OE2 3.31Å; R368-E380 VanDerWaalsContact NH2-OE2 3.12Å; V369-E380 WeakPolarHBondContact O-CA 3.42Å; V370-E380 HydrophobicContact CG2-CB 4.31Å; V370-E380 HydrophobicContact CG2-CG 3.94Å |
| 381 | D | 96.2 | Very high | 91.7 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 32% | 0.321 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 164.4 | 175.6 | -162.4 | 3 | 0 | 0 | 0 | 110.4 | K276 V369 Y383 | K276-D381 WeakPolarHBondContact CE-OD2 3.33Å; K276-D381 IonicContact NZ-OD1 2.54Å; K276-D381 PolarHBondContact NZ-OD1 3.43Å; K276-D381 IonicContact NZ-OD2 3.8Å; K276-D381 PolarHBondContact NZ-OD2 3.37Å; V369-D381 PolarHBondContact N-O 3.14Å; V369-D381 PolarHBondContact O-N 2.85Å; D381-Y383 HydrophobicContact CB-CE2 3.79Å; D381-Y383 PolarHBondContact OD2-OH 3.44Å |
| 382 | T | 97.7 | Very high | 91.8 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143.5 | 176.6 | 60.7 | 0 | 0 | 0 | 0 | 111.8 | K276 L359 L367 | K276-T382 VanDerWaalsContact CD-O 3.26Å; K276-T382 WeakPolarHBondContact CD-O 3.34Å; K276-T382 WeakPolarHBondContact CE-O 3.39Å; K276-T382 PolarHBondContact NZ-O 3.01Å; L359-T382 HydrophobicContact CD1-CG2 3.91Å; L367-T382 CarbonylContact O-C 3.6Å; L367-T382 VanDerWaalsContact O-CA 3.23Å; L367-T382 WeakPolarHBondContact O-CA 3.33Å |
| 383 | Y | 97.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.027 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 146.6 | -178.7 | -61.3 | -86.4 | 0 | 0 | 0 | 110.2 | K276 L278 L367 V369 D381 | K276-Y383 HydrophobicContact CD-CD1 4.29Å; K276-Y383 HydrophobicContact CG-CD1 3.83Å; K276-Y383 HydrophobicContact CG-CE1 4.33Å; L278-Y383 HydrophobicContact CB-CD1 3.61Å; L278-Y383 HydrophobicContact CB-CD2 3.96Å; L278-Y383 HydrophobicContact CB-CE1 3.76Å; L278-Y383 HydrophobicContact CB-CE2 4.06Å; L278-Y383 HydrophobicContact CB-CG 3.73Å; L278-Y383 HydrophobicContact CD1-CE1 4.28Å; L278-Y383 HydrophobicContact CD1-CE2 4.39Å; L278-Y383 HydrophobicContact CD2-CD2 4.22Å; L278-Y383 HydrophobicContact CD2-CE2 3.97Å; L278-Y383 HydrophobicContact CG-CE2 4.37Å; L367-Y383 WeakPolarHBondContact CA-O 3.39Å; L367-Y383 WeakPolarHBondContact CB-O 3.48Å; L367-Y383 PolarHBondContact N-O 3.14Å; L367-Y383 PolarHBondContact O-N 3.39Å; V369-Y383 HydrophobicContact CB-CD2 4.01Å; V369-Y383 HydrophobicContact CB-CE2 4.08Å; V369-Y383 HydrophobicContact CG2-CD2 3.72Å; V369-Y383 HydrophobicContact CG2-CE2 4.25Å; D381-Y383 HydrophobicContact CB-CE2 3.79Å; D381-Y383 PolarHBondContact OD2-OH 3.44Å |
| 384 | N | 98.3 | Very high | 92.4 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 26% | 0.262 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -76.9 | -32.3 | 171 | -68.9 | 123.8 | 0 | 0 | 0 | 112 | P274 K276 P364 G365 | P274-N384 WeakPolarHBondContact O-CB 3.42Å; K276-N384 PolarHBondContact N-OD1 3.42Å; K276-N384 PolarHBondContact O-N 2.78Å; P364-N384 HydrophobicContact CB-CB 3.77Å; P364-N384 HydrophobicContact CG-CB 4.02Å; G365-N384 WeakPolarHBondContact O-CA 3.32Å; G365-N384 PolarHBondContact O-ND2 2.72Å |
| 385 | T | 97.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 135.3 | -178.4 | -62.6 | 0 | 0 | 0 | 0 | 110.5 | I262 P274 K276 T277 L278 | I262-T385 HydrophobicContact CD1-CG2 3.49Å; I262-T385 VanDerWaalsContact CD1-CG2 3.49Å; I262-T385 HydrophobicContact CG1-CG2 3.7Å; P274-T385 WeakPolarHBondContact CA-OG1 3.15Å; P274-T385 HydrophobicContact CB-CG2 4.22Å; P274-T385 WeakPolarHBondContact CB-OG1 3.34Å; P274-T385 WeakPolarHBondContact O-CB 3.49Å; P274-T385 PolarHBondContact O-OG1 3.39Å; K276-T385 PolarHBondContact O-N 3.25Å; K276-T385 VanDerWaalsContact O-N 3.13Å; T277-T385 CarbonylContact C-O 3.48Å; T277-T385 WeakPolarHBondContact CA-O 3.47Å; T277-T385 HydrophobicContact CG2-CG2 4.14Å; L278-T385 PolarHBondContact N-O 3.05Å |
| 386 | V | 97.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 115.5 | 165.5 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | C261 I262 L278 V280 I356 L367 V369 L388 | C261-V386 HydrophobicContact CB-CB 4.32Å; C261-V386 HydrophobicContact CB-CG1 4.38Å; C261-V386 WeakPolarHBondContact CB-O 3.27Å; I262-V386 PolarHBondContact N-O 2.6Å; L278-V386 HydrophobicContact CB-CG2 4.32Å; L278-V386 HydrophobicContact CD2-CG1 4.39Å; L278-V386 HydrophobicContact CD2-CG2 4.45Å; L278-V386 CarbonylContact O-C 3.49Å; L278-V386 WeakPolarHBondContact O-CA 3.46Å; V280-V386 HydrophobicContact CG2-CG1 3.85Å; I356-V386 HydrophobicContact CD1-CG1 4.12Å; L367-V386 HydrophobicContact CD1-CB 4.3Å; L367-V386 HydrophobicContact CD1-CG2 3.85Å; V369-V386 HydrophobicContact CG2-CG2 3.69Å; V386-L388 HydrophobicContact CG1-CD2 4.25Å |
| 387 | L | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 111.5 | 179.9 | -179.5 | 73.4 | 0 | 0 | 0 | 110.1 | I262 T263 L267 T277 L278 C279 V280 C289 | I262-L387 HydrophobicContact CD1-CD1 4.45Å; I262-L387 HydrophobicContact CG1-CD1 4.1Å; I262-L387 CarbonylContact O-C 3.46Å; I262-L387 WeakPolarHBondContact O-CA 3.01Å; T263-L387 WeakPolarHBondContact O-CD1 3.21Å; L267-L387 HydrophobicContact CB-CD1 4.24Å; L267-L387 HydrophobicContact CD2-CD1 4.22Å; L267-L387 HydrophobicContact CD2-CD2 4.04Å; T277-L387 HydrophobicContact CG2-CB 4.35Å; L278-L387 PolarHBondContact O-N 3.48Å; C279-L387 CarbonylContact C-O 3.59Å; C279-L387 WeakPolarHBondContact CA-O 3.41Å; V280-L387 PolarHBondContact N-O 3.19Å; C289-L387 HydrophobicContact CB-CD2 3.58Å |
| 388 | L | 96.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 118.1 | 174.6 | -57.1 | -178.7 | 0 | 0 | 0 | 110.5 | Y251 L252 A257 C261 I262 T263 V280 V386 | Y251-L388 HydrophobicContact CD1-CD1 3.79Å; Y251-L388 HydrophobicContact CE1-CD1 4.34Å; Y251-L388 HydrophobicContact CG-CD1 4.43Å; L252-L388 HydrophobicContact CD1-CD2 3.99Å; L252-L388 HydrophobicContact CG-CD2 4.42Å; A257-L388 HydrophobicContact CB-CD1 4.3Å; C261-L388 HydrophobicContact CB-CD1 3.81Å; C261-L388 HydrophobicContact CB-CD2 4.35Å; C261-L388 HydrophobicContact CB-CG 3.76Å; I262-L388 PolarHBondContact O-N 3.06Å; T263-L388 HydrophobicContact CG2-CB 4.19Å; V280-L388 HydrophobicContact CB-CD2 3.9Å; V280-L388 HydrophobicContact CG1-CD2 4.42Å; V280-L388 HydrophobicContact CG2-CD2 3.98Å; V386-L388 HydrophobicContact CG1-CD2 4.25Å |
| 389 | A | 95.8 | Very high | 93.9 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 12% | 0.116 | 19% | 0.187 | C | C | . | . | trans | -131.6 | 47.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V280 V285 G391 | V280-A389 CarbonylContact O-C 3.58Å; V280-A389 WeakPolarHBondContact O-CA 3.41Å; V280-A389 PolarHBondContact O-N 3.24Å; V285-A389 HydrophobicContact CB-CB 4.38Å; V285-A389 HydrophobicContact CG1-CB 4.15Å; A389-G391 PolarHBondContact O-N 2.9Å | ||
| 390 | I | 91.8 | Very high | 94.1 | Very high | 41 Ų | 41 | 34.8 Ų | 34.8 | 21% | 0.21 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -95 | 19.9 | -171 | 58.8 | 162.6 | 0 | 0 | 0 | 114.3 | R250 L252 V280 | R250-I390 HydrophobicContact CB-CD1 4.29Å; R250-I390 HydrophobicContact CB-CG1 4.08Å; R250-I390 HydrophobicContact CG-CD1 3.89Å; R250-I390 HydrophobicContact CG-CG1 4.21Å; R250-I390 PolarHBondContact NH1-O 2.81Å; R250-I390 WeakPolarHBondContact O-CG1 3.4Å; L252-I390 HydrophobicContact CD2-CD1 3.55Å; L252-I390 HydrophobicContact CG-CD1 3.75Å; V280-I390 HydrophobicContact CB-CG2 4.37Å; V280-I390 HydrophobicContact CG1-CG2 3.83Å; V280-I390 WeakPolarHBondContact O-CG2 3.25Å |
| 391 | G | 90.4 | Very high | 94.2 | Very high | 36 Ų | 36 | 29.4 Ų | 29.4 | 37% | 0.371 | 17% | 0.171 | S | C | . | . | trans | 110.6 | 174.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | R250 A389 | R250-G391 WeakPolarHBondContact CB-O 3.4Å; R250-G391 PolarHBondContact N-O 2.68Å; A389-G391 PolarHBondContact O-N 2.9Å | ||
| 392 | R | 92.1 | Very high | 94 | Very high | 40 Ų | 40 | 31.2 Ų | 31.2 | 15% | 0.151 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 146.7 | -179 | -54.3 | -179 | 69.7 | 92.2 | -0 | 109 | L247 R248 S264 D265 | L247-R392 HydrophobicContact CB-CB 3.53Å; L247-R392 HydrophobicContact CD1-CB 4.02Å; L247-R392 HydrophobicContact CG-CB 4.42Å; L247-R392 PolarHBondContact O-NE 3.49Å; L247-R392 PolarHBondContact O-NH2 3.21Å; R248-R392 CarbonylContact O-C 3.41Å; R248-R392 WeakPolarHBondContact O-CA 3.31Å; R248-R392 WeakPolarHBondContact O-CB 3.34Å; S264-R392 PolarHBondContact OG-NH1 2.93Å; D265-R392 IonicContact OD1-CZ 2.75Å; D265-R392 IonicContact OD1-NH1 3.97Å; D265-R392 PolarHBondContact OD1-NH1 3.1Å; D265-R392 IonicContact OD1-NH2 3.03Å; D265-R392 PolarHBondContact OD1-NH2 3.31Å; D265-R392 IonicContact OD2-NH2 3.22Å |
| 393 | D | 90.6 | Very high | 93.6 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 145.7 | -174 | -66.9 | -51.3 | 0 | 0 | 0 | 111.6 | L247 R248 R250 L395 F426 | L247-D393 WeakPolarHBondContact CA-O 3.32Å; R248-D393 PolarHBondContact N-O 2.79Å; R248-D393 PolarHBondContact O-N 3.31Å; R250-D393 WeakPolarHBondContact CB-OD2 3.27Å; R250-D393 WeakPolarHBondContact CG-OD2 3.43Å; R250-D393 IonicContact CZ-OD1 2.81Å; R250-D393 IonicContact CZ-OD2 3.06Å; R250-D393 IonicContact NE-OD1 4Å; R250-D393 PolarHBondContact NE-OD1 3Å; R250-D393 IonicContact NE-OD2 3.46Å; R250-D393 PolarHBondContact NE-OD2 3.39Å; R250-D393 IonicContact NH2-OD1 2.68Å; R250-D393 PolarHBondContact NH2-OD1 2.93Å; R250-D393 IonicContact NH2-OD2 3.86Å; D393-L395 PolarHBondContact O-N 3.38Å; D393-F426 WeakPolarHBondContact OD2-CD1 3.32Å |
| 394 | A | 92.5 | Very high | 93.3 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 3% | 0.033 | 19% | 0.188 | C | C | . | . | trans | -77.1 | 118.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L247 T396 K430 V451 | L247-A394 VanDerWaalsContact CD2-CA 3.49Å; L247-A394 HydrophobicContact CD2-CB 3.63Å; A394-T396 HydrophobicContact CB-CG2 4.15Å; A394-T396 PolarHBondContact O-N 3.36Å; A394-K430 HydrophobicContact CB-CG 3.91Å; A394-V451 HydrophobicContact CB-CG2 4.32Å | ||
| 395 | L | 84.2 | Confident | 93.1 | Very high | 76 Ų | 76 | 31.8 Ų | 31.8 | 40% | 0.398 | 19% | 0.193 | S | C | . | . | trans | -85.7 | 61 | 179 | -61.4 | -169.8 | 0 | 0 | 0 | 111.6 | R248 D393 S398 | R248-L395 HydrophobicContact CB-CD1 3.85Å; R248-L395 HydrophobicContact CB-CG 4.08Å; R248-L395 HydrophobicContact CG-CD1 3.35Å; R248-L395 HydrophobicContact CG-CG 3.89Å; D393-L395 PolarHBondContact O-N 3.38Å; L395-S398 PolarHBondContact O-OG 2.93Å | ||
| 396 | T | 93.2 | Very high | 93 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -88.5 | -20.6 | -177.2 | 55.9 | 0 | 0 | 0 | 0 | 114 | A394 S398 L399 L401 R408 K429 V431 V451 | A394-T396 HydrophobicContact CB-CG2 4.15Å; A394-T396 PolarHBondContact O-N 3.36Å; T396-S398 PolarHBondContact O-N 3.36Å; T396-L399 WeakPolarHBondContact O-CB 3.36Å; T396-L399 PolarHBondContact O-N 3.45Å; T396-L401 HydrophobicContact CG2-CD1 4.21Å; T396-R408 WeakPolarHBondContact OG1-CD 3.36Å; T396-R408 PolarHBondContact OG1-NH1 2.97Å; T396-K429 VanDerWaalsContact CG2-O 3.3Å; T396-K429 WeakPolarHBondContact CG2-O 3.36Å; T396-K429 PolarHBondContact OG1-O 2.83Å; T396-V431 HydrophobicContact CG2-CG2 4.29Å; T396-V451 HydrophobicContact CG2-CG2 3.62Å | ||
| 397 | D | 89.7 | Confident | 92.9 | Very high | 75 Ų | 75 | 37.9 Ų | 37.9 | 40% | 0.401 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -61.8 | -45.9 | 178.8 | -62.9 | -33.8 | 0 | 0 | 0 | 111.4 | L399 N400 R408 K429 | D397-L399 PolarHBondContact O-N 3.24Å; D397-L399 VanDerWaalsContact O-N 3.1Å; D397-N400 PolarHBondContact O-N 3.19Å; D397-R408 IonicContact OD1-CZ 2.76Å; D397-R408 IonicContact OD1-NH1 3.23Å; D397-R408 PolarHBondContact OD1-NH1 2.81Å; D397-R408 IonicContact OD1-NH2 2.71Å; D397-K429 IonicContact OD1-NZ 3.43Å; D397-K429 WeakPolarHBondContact OD2-CD 3.3Å; D397-K429 WeakPolarHBondContact OD2-CE 3.15Å; D397-K429 IonicContact OD2-NZ 3.53Å; D397-K429 PolarHBondContact OD2-NZ 2.97Å |
| 398 | S | 90.5 | Very high | 92.8 | Very high | 58 Ų | 58 | 39.4 Ų | 39.4 | 41% | 0.406 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -66.3 | -13.3 | -179.1 | 51.6 | 0 | 0 | 0 | 0 | 113.4 | F215 L395 T396 N400 | F215-S398 WeakPolarHBondContact CE1-O 3.36Å; L395-S398 PolarHBondContact O-OG 2.93Å; T396-S398 PolarHBondContact O-N 3.36Å; S398-N400 VanDerWaalsContact C-N 3.26Å |
| 399 | L | 95.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -79.7 | -10.2 | 172.7 | -59.8 | -179.2 | 0 | 0 | 0 | 112.4 | V80 G216 F218 I243 T245 T396 D397 L401 | V80-L399 HydrophobicContact CG1-CD2 3.91Å; G216-L399 VanDerWaalsContact O-CD2 3.25Å; G216-L399 WeakPolarHBondContact O-CD2 3.44Å; F218-L399 VanDerWaalsContact CD2-O 3.29Å; F218-L399 WeakPolarHBondContact CD2-O 3.44Å; F218-L399 PolarHBondContact N-O 2.85Å; I243-L399 HydrophobicContact CD1-CD1 4.5Å; I243-L399 HydrophobicContact CG2-CD1 3.78Å; T245-L399 HydrophobicContact CG2-CD1 3.98Å; T245-L399 HydrophobicContact CG2-CD2 4.27Å; T396-L399 WeakPolarHBondContact O-CB 3.36Å; T396-L399 PolarHBondContact O-N 3.45Å; D397-L399 PolarHBondContact O-N 3.24Å; D397-L399 VanDerWaalsContact O-N 3.1Å; L399-L401 VanDerWaalsContact C-N 3.31Å; L399-L401 HydrophobicContact CB-CD2 4.44Å; L399-L401 HydrophobicContact CB-CG 3.98Å; L399-L401 HydrophobicContact CD1-CD1 4.42Å; L399-L401 PolarHBondContact O-N 3.21Å |
| 400 | N | 95.8 | Very high | 92 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 33.6 | -177.2 | -150.5 | 22.4 | 0 | 0 | 0 | 113.6 | F218 D397 S398 D402 T403 | F218-N400 WeakPolarHBondContact O-CB 3.2Å; F218-N400 PolarHBondContact O-ND2 3.42Å; D397-N400 PolarHBondContact O-N 3.19Å; S398-N400 VanDerWaalsContact C-N 3.26Å; N400-D402 PolarHBondContact O-N 3.14Å; N400-T403 VanDerWaalsContact CG-CG2 3.48Å; N400-T403 VanDerWaalsContact ND2-CG2 3.3Å; N400-T403 WeakPolarHBondContact ND2-CG2 3.35Å; N400-T403 PolarHBondContact O-N 2.9Å; N400-T403 PolarHBondContact O-OG1 2.82Å; N400-T403 WeakPolarHBondContact OD1-CG2 3.24Å |
| 401 | L | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -61.6 | -23.9 | -177.7 | -75.6 | -173.9 | 0 | 0 | 0 | 114.2 | F218 I243 T396 L399 T403 L404 G405 V406 V431 | F218-L401 HydrophobicContact CD2-CD2 3.72Å; F218-L401 HydrophobicContact CE2-CD2 3.53Å; I243-L401 HydrophobicContact CD1-CD2 4.45Å; T396-L401 HydrophobicContact CG2-CD1 4.21Å; L399-L401 VanDerWaalsContact C-N 3.31Å; L399-L401 HydrophobicContact CB-CD2 4.44Å; L399-L401 HydrophobicContact CB-CG 3.98Å; L399-L401 HydrophobicContact CD1-CD1 4.42Å; L399-L401 PolarHBondContact O-N 3.21Å; L401-T403 VanDerWaalsContact C-N 3.25Å; L401-T403 PolarHBondContact O-N 2.68Å; L401-L404 PolarHBondContact O-N 3.27Å; L401-L404 VanDerWaalsContact O-N 3.15Å; L401-G405 PolarHBondContact O-N 3.19Å; L401-V406 HydrophobicContact CB-CB 4.13Å; L401-V406 HydrophobicContact CD1-CG1 4.16Å; L401-V406 HydrophobicContact CD2-CB 4.3Å; L401-V406 HydrophobicContact CD2-CG2 4.17Å; L401-V406 PolarHBondContact O-N 2.83Å; L401-V431 HydrophobicContact CD1-CG2 3.93Å |
| 402 | D | 91.9 | Very high | 90 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -64.2 | -31.7 | 177.8 | -64.5 | -37.1 | 0 | 0 | 0 | 112 | N400 L404 G405 R408 | N400-D402 PolarHBondContact O-N 3.14Å; D402-L404 PolarHBondContact O-N 3.07Å; D402-G405 PolarHBondContact O-N 3.39Å; D402-R408 IonicContact OD1-CZ 3.89Å; D402-R408 IonicContact OD1-NE 2.69Å; D402-R408 IonicContact OD1-NH2 3.1Å; D402-R408 PolarHBondContact OD1-NH2 3.11Å; D402-R408 IonicContact OD2-CZ 2.89Å; D402-R408 IonicContact OD2-NH2 3.97Å; D402-R408 PolarHBondContact OD2-NH2 3.4Å |
| 403 | T | 90.1 | Very high | 88.5 | Confident | 80 Ų | 80 | 55.3 Ų | 55.3 | 49% | 0.491 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -62.5 | -27.3 | 175.5 | 61 | 0 | 0 | 0 | 0 | 113.1 | N400 L401 | N400-T403 VanDerWaalsContact CG-CG2 3.48Å; N400-T403 VanDerWaalsContact ND2-CG2 3.3Å; N400-T403 WeakPolarHBondContact ND2-CG2 3.35Å; N400-T403 PolarHBondContact O-N 2.9Å; N400-T403 PolarHBondContact O-OG1 2.82Å; N400-T403 WeakPolarHBondContact OD1-CG2 3.24Å; L401-T403 VanDerWaalsContact C-N 3.25Å; L401-T403 PolarHBondContact O-N 2.68Å |
| 404 | L | 92.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -87.8 | -17.5 | 174.9 | -57.9 | -172.7 | 0 | 0 | 0 | 112.6 | R63 F218 G220 L401 D402 V406 V442 V445 | R63-L404 PolarHBondContact NH2-O 2.96Å; F218-L404 HydrophobicContact CB-CD1 4.28Å; F218-L404 HydrophobicContact CB-CD2 4.5Å; F218-L404 HydrophobicContact CB-CG 4.26Å; F218-L404 HydrophobicContact CD1-CD1 3.6Å; F218-L404 HydrophobicContact CD1-CD2 4.48Å; F218-L404 HydrophobicContact CD1-CG 4.36Å; F218-L404 HydrophobicContact CD2-CD1 3.97Å; F218-L404 HydrophobicContact CE1-CD1 3.8Å; F218-L404 HydrophobicContact CE2-CD1 4.19Å; F218-L404 HydrophobicContact CG-CD1 3.68Å; F218-L404 HydrophobicContact CG-CG 4.19Å; F218-L404 HydrophobicContact CZ-CD1 4.1Å; G220-L404 WeakPolarHBondContact O-CD2 3.41Å; L401-L404 PolarHBondContact O-N 3.27Å; L401-L404 VanDerWaalsContact O-N 3.15Å; D402-L404 PolarHBondContact O-N 3.07Å; L404-V406 HydrophobicContact CB-CG2 3.96Å; L404-V406 HydrophobicContact CD1-CG2 4.29Å; L404-V442 HydrophobicContact CB-CG2 4.35Å; L404-V442 VanDerWaalsContact O-CG2 3.31Å; L404-V442 WeakPolarHBondContact O-CG2 3.39Å; L404-V445 HydrophobicContact CD1-CG2 4.07Å |
| 405 | G | 92.5 | Very high | 84.6 | Confident | 36 Ų | 36 | 61 Ų | 61 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 29.5 | -168 | 0 | 0 | 0 | 0 | 0 | 113.3 | L401 D402 K407 S441 | L401-G405 PolarHBondContact O-N 3.19Å; D402-G405 PolarHBondContact O-N 3.39Å; G405-K407 PolarHBondContact O-N 2.87Å; G405-S441 WeakPolarHBondContact O-CB 3.43Å; G405-S441 PolarHBondContact O-OG 3.06Å |
| 406 | V | 96.2 | Very high | 82.5 | Confident | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.024 | 33% | 0.33 | C | S | . | . | trans | -68.5 | 117.4 | 174.3 | 171.9 | 0 | 0 | 0 | 0 | 109.2 | L401 L404 V431 S441 V442 V445 | L401-V406 HydrophobicContact CB-CB 4.13Å; L401-V406 HydrophobicContact CD1-CG1 4.16Å; L401-V406 HydrophobicContact CD2-CB 4.3Å; L401-V406 HydrophobicContact CD2-CG2 4.17Å; L401-V406 PolarHBondContact O-N 2.83Å; L404-V406 HydrophobicContact CB-CG2 3.96Å; L404-V406 HydrophobicContact CD1-CG2 4.29Å; V406-V431 HydrophobicContact CG1-CG1 3.76Å; V406-V431 HydrophobicContact CG1-CG2 4.45Å; V406-S441 WeakPolarHBondContact CA-OG 3.25Å; V406-V442 HydrophobicContact CB-CG2 4.42Å; V406-V442 HydrophobicContact CG2-CB 3.92Å; V406-V442 HydrophobicContact CG2-CG2 3.57Å; V406-V445 HydrophobicContact CG2-CB 4.21Å; V406-V445 HydrophobicContact CG2-CG1 4.03Å; V406-V445 HydrophobicContact CG2-CG2 4.11Å | ||
| 407 | K | 95.6 | Very high | 80 | Confident | 130 Ų | 130 | 66 Ų | 66 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | trans | -69.4 | 133.1 | -179.6 | -76.3 | -175.3 | 179 | -178.4 | 0 | 110.6 | G405 I432 V440 S441 | G405-K407 PolarHBondContact O-N 2.87Å; K407-I432 PolarHBondContact O-N 3.15Å; K407-V440 HydrophobicContact CB-CG2 3.82Å; K407-V440 HydrophobicContact CD-CG2 3.95Å; K407-V440 HydrophobicContact CG-CG2 4.39Å; K407-S441 PolarHBondContact N-OG 3.41Å | ||
| 408 | R | 95.5 | Very high | 77.3 | Confident | 32 Ų | 32 | 70.1 Ų | 70.1 | 12% | 0.121 | 36% | 0.36 | C | S | . | . | B | Isolated β-bridge | trans | -125.9 | 153.3 | 179.6 | -62.8 | 176.8 | -68 | 155.9 | 2.5 | 109.7 | T396 D397 D402 E410 K430 | T396-R408 WeakPolarHBondContact OG1-CD 3.36Å; T396-R408 PolarHBondContact OG1-NH1 2.97Å; D397-R408 IonicContact OD1-CZ 2.76Å; D397-R408 IonicContact OD1-NH1 3.23Å; D397-R408 PolarHBondContact OD1-NH1 2.81Å; D397-R408 IonicContact OD1-NH2 2.71Å; D402-R408 IonicContact OD1-CZ 3.89Å; D402-R408 IonicContact OD1-NE 2.69Å; D402-R408 IonicContact OD1-NH2 3.1Å; D402-R408 PolarHBondContact OD1-NH2 3.11Å; D402-R408 IonicContact OD2-CZ 2.89Å; D402-R408 IonicContact OD2-NH2 3.97Å; D402-R408 PolarHBondContact OD2-NH2 3.4Å; R408-E410 PolarHBondContact O-N 3.3Å; R408-E410 VanDerWaalsContact O-N 3.12Å; R408-K430 CarbonylContact C-O 3.31Å; R408-K430 WeakPolarHBondContact CA-O 3.28Å; R408-K430 WeakPolarHBondContact CB-O 3.39Å |
| 409 | N | 92.3 | Very high | 74.5 | Confident | 23 Ų | 23 | 76.7 Ų | 76.7 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | trans | -74.4 | 104.3 | 176.7 | -171.3 | -11.3 | 0 | 0 | 0 | 109.8 | K411 N428 K429 K430 I432 D453 | N409-K411 VanDerWaalsContact C-N 3.28Å; N409-K411 WeakPolarHBondContact OD1-CB 3.5Å; N409-K411 VanDerWaalsContact OD1-CG 3.23Å; N409-K411 WeakPolarHBondContact OD1-CG 3.24Å; N409-K411 PolarHBondContact OD1-N 2.93Å; N409-N428 HydrophobicContact CB-CB 4.32Å; N409-N428 PolarHBondContact ND2-ND2 3.38Å; N409-K429 WeakPolarHBondContact O-CA 3.19Å; N409-K429 PolarHBondContact O-N 2.96Å; N409-K430 PolarHBondContact N-O 3.43Å; N409-I432 HydrophobicContact CB-CD1 4.34Å; N409-I432 HydrophobicContact CB-CG1 4.19Å; N409-D453 HydrophobicContact CB-CB 4.37Å; N409-D453 WeakPolarHBondContact CB-OD1 3.47Å; N409-D453 VanDerWaalsContact ND2-CG 3.31Å; N409-D453 PolarHBondContact ND2-OD1 2.93Å; N409-D453 PolarHBondContact ND2-OD2 2.91Å | ||
| 410 | E | 83.2 | Confident | 71.8 | Confident | 136 Ų | 136 | 78.4 Ų | 78.4 | 64% | 0.636 | 39% | 0.392 | S | S | * | . | trans | -82.5 | -4.6 | 178.4 | -64.8 | -174.4 | -173.7 | 0 | 0 | 113.5 | R408 F412 | R408-E410 PolarHBondContact O-N 3.3Å; R408-E410 VanDerWaalsContact O-N 3.12Å; E410-F412 PolarHBondContact O-N 3.17Å | ||
| 411 | K | 75.4 | Confident | 68.8 | Low | 154 Ų | 154 | 85 Ų | 85 | 67% | 0.67 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -57.5 | 141.6 | 175.6 | -65.1 | 179.6 | 179.5 | -179.2 | 0 | 109.3 | N409 V413 N428 | N409-K411 VanDerWaalsContact C-N 3.28Å; N409-K411 WeakPolarHBondContact OD1-CB 3.5Å; N409-K411 VanDerWaalsContact OD1-CG 3.23Å; N409-K411 WeakPolarHBondContact OD1-CG 3.24Å; N409-K411 PolarHBondContact OD1-N 2.93Å; K411-V413 PolarHBondContact O-N 3.09Å; K411-N428 PolarHBondContact O-N 3.04Å |
| 412 | F | 64.9 | Low | 66 | Low | 106 Ų | 106 | 88 Ų | 88 | 47% | 0.465 | 45% | 0.448 | S | S | . | . | B | Isolated β-bridge | trans | -60.4 | 138.4 | 165.8 | -58.6 | -58 | 0 | 0 | 0 | 108.6 | E410 D414 W425 F426 R427 | E410-F412 PolarHBondContact O-N 3.17Å; F412-D414 PolarHBondContact O-N 3.13Å; F412-W425 HydrophobicContact CB-CB 4.43Å; F412-W425 HydrophobicContact CD1-CB 3.08Å; F412-W425 AromaticContact CD1-CG 3.96Å; F412-W425 HydrophobicContact CD1-CG 3.96Å; F412-W425 HydrophobicContact CE1-CB 3.26Å; F412-W425 HydrophobicContact CE1-CG 4.01Å; F412-W425 HydrophobicContact CG-CB 3.78Å; F412-W425 HydrophobicContact CG-CG 4.26Å; F412-W425 HydrophobicContact CZ-CB 4.06Å; F412-W425 HydrophobicContact CZ-CG 4.36Å; F412-F426 WeakPolarHBondContact CA-O 3.27Å; F412-R427 HydrophobicContact CD1-CG 3.92Å; F412-R427 HydrophobicContact CE1-CG 3.88Å |
| 413 | V | 60.7 | Low | 63.6 | Low | 49 Ų | 49 | 86.4 Ų | 86.4 | 30% | 0.297 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 127.5 | 167.5 | 179.2 | 0 | 0 | 0 | 0 | 106 | K411 I415 F426 N428 | K411-V413 PolarHBondContact O-N 3.09Å; V413-I415 WeakPolarHBondContact O-CG1 3.32Å; V413-I415 PolarHBondContact O-N 3.43Å; V413-F426 PolarHBondContact N-O 3.07Å; V413-N428 HydrophobicContact CG2-CB 4.14Å |
| 414 | D | 53.1 | Low | 61.4 | Low | 117 Ų | 117 | 90.1 Ų | 90.1 | 63% | 0.626 | 45% | 0.451 | S | S | * | . | trans | -53 | 91.5 | -178.5 | -92.8 | -29.5 | 0 | 0 | 0 | 110.4 | F412 | F412-D414 PolarHBondContact O-N 3.13Š| ||
| 415 | I | 48.6 | Very low | 59.4 | Low | 34 Ų | 34 | 92.3 Ų | 92.3 | 17% | 0.174 | 46% | 0.459 | C | S | . | . | trans | -105.1 | 103.8 | 162 | -64.2 | 166.3 | 0 | 0 | 0 | 101 | R305 V413 L417 W425 F426 | R305-I415 VanDerWaalsContact NH2-CG2 3.27Å; V413-I415 WeakPolarHBondContact O-CG1 3.32Å; V413-I415 PolarHBondContact O-N 3.43Å; I415-L417 HydrophobicContact CG2-CD1 4.46Å; I415-L417 PolarHBondContact O-N 3.34Å; I415-W425 HydrophobicContact CB-CE3 4.35Å; I415-W425 HydrophobicContact CB-CZ3 3.87Å; I415-W425 HydrophobicContact CD1-CE3 4.26Å; I415-W425 HydrophobicContact CD1-CZ3 4.36Å; I415-W425 HydrophobicContact CG2-CZ3 3.8Å; I415-F426 HydrophobicContact CD1-CD2 4.07Å | ||
| 416 | N | 39 | Very low | 57.9 | Low | 119 Ų | 119 | 93.6 Ų | 93.6 | 64% | 0.636 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -54.3 | 76.1 | -178.1 | -80 | -15.8 | 0 | 0 | 0 | 113.3 | ||
| 417 | L | 40.7 | Very low | 56.4 | Low | 60 Ų | 60 | 99.2 Ų | 99.2 | 31% | 0.314 | 48% | 0.475 | S | S | . | . | trans | -160.7 | 67.2 | 178.4 | -75.7 | -179.4 | 0 | 0 | 0 | 106 | I415 F419 V420 W425 | I415-L417 HydrophobicContact CG2-CD1 4.46Å; I415-L417 PolarHBondContact O-N 3.34Å; L417-F419 PolarHBondContact O-N 3.26Å; L417-V420 HydrophobicContact CB-CG2 4.44Å; L417-V420 HydrophobicContact CD2-CG2 4.5Å; L417-W425 HydrophobicContact CB-CH2 3.3Å; L417-W425 HydrophobicContact CB-CZ2 4.21Å; L417-W425 HydrophobicContact CB-CZ3 3.94Å; L417-W425 HydrophobicContact CD1-CH2 3.89Å; L417-W425 HydrophobicContact CG-CH2 4.24Å; L417-W425 WeakPolarHBondContact O-CH2 3.3Å; L417-W425 WeakPolarHBondContact O-CZ2 3.39Å | ||
| 418 | F | 33.9 | Very low | 55.4 | Low | 163 Ų | 163 | 94.5 Ų | 94.5 | 72% | 0.715 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -6.3 | -173.5 | -112 | -94.1 | 0 | 0 | 0 | 114.9 | ||
| 419 | F | 31.5 | Very low | 55.1 | Low | 196 Ų | 196 | 95.8 Ų | 95.8 | 86% | 0.86 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.3 | 66.2 | -176.8 | -73.2 | -81.3 | 0 | 0 | 0 | 114.3 | L417 | L417-F419 PolarHBondContact O-N 3.26Š|
| 420 | V | 38.5 | Very low | 55.2 | Low | 39 Ų | 39 | 95.5 Ų | 95.5 | 24% | 0.236 | 46% | 0.46 | C | S | . | . | trans | -119.1 | 111.2 | 162.5 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | L417 I423 W425 | L417-V420 HydrophobicContact CB-CG2 4.44Å; L417-V420 HydrophobicContact CD2-CG2 4.5Å; V420-I423 HydrophobicContact CB-CD1 4.49Å; V420-I423 HydrophobicContact CG1-CD1 4.12Å; V420-W425 HydrophobicContact CB-CZ2 3.9Å; V420-W425 HydrophobicContact CG2-CZ2 4.45Å; V420-W425 PolarHBondContact O-NE1 2.85Å | ||
| 421 | K | 33.8 | Very low | 55.9 | Low | 205 Ų | 205 | 89 Ų | 89 | 89% | 0.891 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 138.5 | 172.2 | -76.4 | -177 | 175.6 | 179.8 | 0 | 109.7 | ||
| 422 | G | 36.5 | Very low | 56.9 | Low | 64 Ų | 64 | 84.1 Ų | 84.1 | 66% | 0.66 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100 | -4.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 423 | I | 42.2 | Very low | 58.5 | Low | 63 Ų | 63 | 80.1 Ų | 80.1 | 32% | 0.323 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -95.8 | 128.3 | 167.2 | -59.5 | 175.3 | 0 | 0 | 0 | 107.1 | V420 W425 | V420-I423 HydrophobicContact CB-CD1 4.49Å; V420-I423 HydrophobicContact CG1-CD1 4.12Å; I423-W425 PolarHBondContact O-N 3.19Å |
| 424 | E | 42.9 | Very low | 60.1 | Low | 158 Ų | 158 | 80 Ų | 80 | 74% | 0.738 | 39% | 0.39 | S | S | * | . | trans | -61.9 | 105.6 | 167.1 | -82.7 | -167.7 | 154.7 | 0 | 0 | 108.7 | ||||
| 425 | W | 50 | Low | 61.9 | Low | 50 Ų | 50 | 78.8 Ų | 78.8 | 19% | 0.189 | 39% | 0.388 | C | S | . | . | trans | -78 | 131.4 | 175.6 | -65.3 | 97.9 | 0 | 0 | 0 | 110.1 | F412 I415 L417 V420 I423 R427 | F412-W425 HydrophobicContact CB-CB 4.43Å; F412-W425 HydrophobicContact CD1-CB 3.08Å; F412-W425 AromaticContact CD1-CG 3.96Å; F412-W425 HydrophobicContact CD1-CG 3.96Å; F412-W425 HydrophobicContact CE1-CB 3.26Å; F412-W425 HydrophobicContact CE1-CG 4.01Å; F412-W425 HydrophobicContact CG-CB 3.78Å; F412-W425 HydrophobicContact CG-CG 4.26Å; F412-W425 HydrophobicContact CZ-CB 4.06Å; F412-W425 HydrophobicContact CZ-CG 4.36Å; I415-W425 HydrophobicContact CB-CE3 4.35Å; I415-W425 HydrophobicContact CB-CZ3 3.87Å; I415-W425 HydrophobicContact CD1-CE3 4.26Å; I415-W425 HydrophobicContact CD1-CZ3 4.36Å; I415-W425 HydrophobicContact CG2-CZ3 3.8Å; L417-W425 HydrophobicContact CB-CH2 3.3Å; L417-W425 HydrophobicContact CB-CZ2 4.21Å; L417-W425 HydrophobicContact CB-CZ3 3.94Å; L417-W425 HydrophobicContact CD1-CH2 3.89Å; L417-W425 HydrophobicContact CG-CH2 4.24Å; L417-W425 WeakPolarHBondContact O-CH2 3.3Å; L417-W425 WeakPolarHBondContact O-CZ2 3.39Å; V420-W425 HydrophobicContact CB-CZ2 3.9Å; V420-W425 HydrophobicContact CG2-CZ2 4.45Å; V420-W425 PolarHBondContact O-NE1 2.85Å; I423-W425 PolarHBondContact O-N 3.19Å; W425-R427 PolarHBondContact O-N 2.87Å; W425-R427 VanDerWaalsContact O-N 3.14Å | ||
| 426 | F | 60.6 | Low | 64.1 | Low | 63 Ų | 63 | 77.5 Ų | 77.5 | 28% | 0.276 | 38% | 0.382 | S | S | . | . | trans | -68.7 | 112.1 | 174.7 | -56.9 | -82.7 | 0 | 0 | 0 | 109.5 | R250 D393 F412 V413 I415 | R250-F426 VanDerWaalsContact CD-CE2 3.48Å; R250-F426 VanDerWaalsContact CD-CZ 3.47Å; R250-F426 HydrophobicContact CG-CD1 3.77Å; R250-F426 HydrophobicContact CG-CD2 4.43Å; R250-F426 HydrophobicContact CG-CE1 3.35Å; R250-F426 HydrophobicContact CG-CE2 4.08Å; R250-F426 HydrophobicContact CG-CG 4.3Å; R250-F426 HydrophobicContact CG-CZ 3.51Å; R250-F426 VanDerWaalsContact NE-CD1 3.33Å; D393-F426 WeakPolarHBondContact OD2-CD1 3.32Å; F412-F426 WeakPolarHBondContact CA-O 3.27Å; V413-F426 PolarHBondContact N-O 3.07Å; I415-F426 HydrophobicContact CD1-CD2 4.07Å | ||
| 427 | R | 64.8 | Low | 66.8 | Low | 123 Ų | 123 | 71.9 Ų | 71.9 | 46% | 0.464 | 35% | 0.352 | S | S | . | . | B | Isolated β-bridge | trans | -78.5 | 141.7 | 169.3 | -62.5 | -175.3 | -131.5 | -131.1 | 3.4 | 109 | F412 W425 K429 | F412-R427 HydrophobicContact CD1-CG 3.92Å; F412-R427 HydrophobicContact CE1-CG 3.88Å; W425-R427 PolarHBondContact O-N 2.87Å; W425-R427 VanDerWaalsContact O-N 3.14Å; R427-K429 VanDerWaalsContact C-N 3.33Å; R427-K429 HydrophobicContact CB-CD 4.44Å; R427-K429 HydrophobicContact CB-CG 3.77Å; R427-K429 PolarHBondContact O-N 2.88Å |
| 428 | N | 74.8 | Confident | 69.5 | Low | 30 Ų | 30 | 69.1 Ų | 69.1 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | trans | -58.5 | -44.9 | -179.8 | -175.4 | -0.7 | 0 | 0 | 0 | 111.5 | N409 K411 V413 K430 D453 | N409-N428 HydrophobicContact CB-CB 4.32Å; N409-N428 PolarHBondContact ND2-ND2 3.38Å; K411-N428 PolarHBondContact O-N 3.04Å; V413-N428 HydrophobicContact CG2-CB 4.14Å; N428-K430 PolarHBondContact O-N 3.27Å; N428-K430 WeakPolarHBondContact OD1-CB 3.49Å; N428-K430 WeakPolarHBondContact OD1-CD 3.41Å; N428-K430 VanDerWaalsContact OD1-CE 3.25Å; N428-K430 WeakPolarHBondContact OD1-CE 3.4Å; N428-K430 WeakPolarHBondContact OD1-CG 3.29Å; N428-D453 PolarHBondContact ND2-OD1 3.03Å | ||
| 429 | K | 89.7 | Confident | 72.5 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 26% | 0.261 | 30% | 0.303 | S | S | . | . | trans | 55.1 | 10.6 | 176.9 | -59.9 | -178.9 | -178.8 | 179.1 | 0 | 115.1 | T396 D397 N409 R427 | T396-K429 VanDerWaalsContact CG2-O 3.3Å; T396-K429 WeakPolarHBondContact CG2-O 3.36Å; T396-K429 PolarHBondContact OG1-O 2.83Å; D397-K429 IonicContact OD1-NZ 3.43Å; D397-K429 WeakPolarHBondContact OD2-CD 3.3Å; D397-K429 WeakPolarHBondContact OD2-CE 3.15Å; D397-K429 IonicContact OD2-NZ 3.53Å; D397-K429 PolarHBondContact OD2-NZ 2.97Å; N409-K429 WeakPolarHBondContact O-CA 3.19Å; N409-K429 PolarHBondContact O-N 2.96Å; R427-K429 VanDerWaalsContact C-N 3.33Å; R427-K429 HydrophobicContact CB-CD 4.44Å; R427-K429 HydrophobicContact CB-CG 3.77Å; R427-K429 PolarHBondContact O-N 2.88Å | ||
| 430 | K | 95.5 | Very high | 75.5 | Confident | 16 Ų | 16 | 54 Ų | 54 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 149.2 | 171.3 | -74.8 | -178.7 | -165 | -153 | 0 | 111.1 | A394 R408 N409 N428 D450 V451 D453 E457 | A394-K430 HydrophobicContact CB-CG 3.91Å; R408-K430 CarbonylContact C-O 3.31Å; R408-K430 WeakPolarHBondContact CA-O 3.28Å; R408-K430 WeakPolarHBondContact CB-O 3.39Å; N409-K430 PolarHBondContact N-O 3.43Å; N428-K430 PolarHBondContact O-N 3.27Å; N428-K430 WeakPolarHBondContact OD1-CB 3.49Å; N428-K430 WeakPolarHBondContact OD1-CD 3.41Å; N428-K430 VanDerWaalsContact OD1-CE 3.25Å; N428-K430 WeakPolarHBondContact OD1-CE 3.4Å; N428-K430 WeakPolarHBondContact OD1-CG 3.29Å; K430-D450 VanDerWaalsContact CD-O 3.26Å; K430-D450 WeakPolarHBondContact CD-O 3.28Å; K430-D450 WeakPolarHBondContact CE-O 3.43Å; K430-D450 PolarHBondContact NZ-O 3.23Å; K430-V451 CarbonylContact C-O 3.51Å; K430-V451 VanDerWaalsContact CA-O 3.27Å; K430-V451 WeakPolarHBondContact CA-O 3.5Å; K430-V451 VanDerWaalsContact CB-O 3.24Å; K430-V451 WeakPolarHBondContact CB-O 3.37Å; K430-D453 HydrophobicContact CB-CB 3.9Å; K430-E457 IonicContact NZ-OE1 3.85Å; K430-E457 PolarHBondContact NZ-OE1 3.31Å |
| 431 | V | 97.4 | Very high | 78.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 129.5 | -178.7 | -180 | 0 | 0 | 0 | 0 | 109.3 | T396 L401 V406 A447 V451 D453 | T396-V431 HydrophobicContact CG2-CG2 4.29Å; L401-V431 HydrophobicContact CD1-CG2 3.93Å; V406-V431 HydrophobicContact CG1-CG1 3.76Å; V406-V431 HydrophobicContact CG1-CG2 4.45Å; V431-A447 HydrophobicContact CB-CB 3.72Å; V431-A447 HydrophobicContact CG1-CB 3.83Å; V431-A447 HydrophobicContact CG2-CB 4.22Å; V431-V451 HydrophobicContact CG2-CG2 4.34Å; V431-V451 PolarHBondContact N-O 2.84Å; V431-D453 WeakPolarHBondContact O-CB 3.32Å; V431-D453 PolarHBondContact O-N 3.3Å |
| 432 | I | 96.8 | Very high | 81 | Confident | 52 Ų | 52 | 44 Ų | 44 | 27% | 0.267 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -86.2 | 116 | 177.4 | -55.3 | 174 | 0 | 0 | 0 | 108.1 | K407 N409 V440 D453 | K407-I432 PolarHBondContact O-N 3.15Å; N409-I432 HydrophobicContact CB-CD1 4.34Å; N409-I432 HydrophobicContact CB-CG1 4.19Å; I432-V440 HydrophobicContact CB-CG2 4.05Å; I432-V440 HydrophobicContact CG2-CG1 3.88Å; I432-V440 HydrophobicContact CG2-CG2 3.9Å; I432-V440 WeakPolarHBondContact O-CG2 3.16Å; I432-V440 PolarHBondContact O-N 3.43Å; I432-D453 HydrophobicContact CG1-CB 4.27Å |
| 433 | C | 96.8 | Very high | 83.7 | Confident | 22 Ų | 22 | 41.7 Ų | 41.7 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -117.6 | 162.3 | 175.5 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | E437 Q438 L452 | C433-E437 PolarHBondContact SG-O 3.39Å; C433-Q438 CarbonylContact C-O 3.54Å; C433-Q438 WeakPolarHBondContact CA-O 3.43Å; C433-Q438 WeakPolarHBondContact CB-O 3.27Å; C433-L452 HydrophobicContact CB-CD1 3.52Å |
| 434 | R | 94.5 | Very high | 86.2 | Confident | 45 Ų | 45 | 38.9 Ų | 38.9 | 17% | 0.17 | 19% | 0.19 | C | C | . | . | trans | -69.9 | 168.1 | 164 | -67.4 | 179.1 | -179.2 | 84.6 | 15.4 | 110.2 | G37 N436 E437 Q438 S439 V440 | G37-R434 WeakPolarHBondContact O-CD 3.47Å; R434-N436 VanDerWaalsContact CB-OD1 3.26Å; R434-N436 WeakPolarHBondContact CB-OD1 3.5Å; R434-N436 PolarHBondContact O-N 3.47Å; R434-E437 PolarHBondContact O-N 3.18Å; R434-Q438 PolarHBondContact N-O 2.97Å; R434-S439 PolarHBondContact NH1-O 3.49Å; R434-V440 HydrophobicContact CG-CG1 4.07Å; R434-V440 PolarHBondContact NH2-O 3.2Å | ||
| 435 | P | 92 | Very high | 88.8 | Confident | 92 Ų | 92 | 31.3 Ų | 31.3 | 60% | 0.597 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -16.2 | 176.9 | -27.5 | 36.3 | 0 | 0 | 0 | 115.7 | E437 | P435-E437 VanDerWaalsContact C-N 3.33Š|
| 436 | N | 93.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 29.6 Ų | 29.6 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 20.9 | 174.3 | 70.3 | -13.4 | 0 | 0 | 0 | 113.5 | Y35 A36 R434 Q438 L480 | Y35-N436 PolarHBondContact O-ND2 2.87Å; A36-N436 PolarHBondContact O-ND2 3.16Å; R434-N436 VanDerWaalsContact CB-OD1 3.26Å; R434-N436 WeakPolarHBondContact CB-OD1 3.5Å; R434-N436 PolarHBondContact O-N 3.47Å; N436-Q438 PolarHBondContact O-N 2.66Å; N436-Q438 WeakPolarHBondContact OD1-CB 3.26Å; N436-Q438 PolarHBondContact OD1-N 3.39Å; N436-L480 HydrophobicContact CB-CD2 3.56Å |
| 437 | E | 96.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.009 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 65.9 | 3.8 | 175.8 | -55 | 87.6 | -166.4 | 0 | 0 | 115.6 | C433 R434 P435 Y446 A447 I448 L469 R472 C481 Y483 | C433-E437 PolarHBondContact SG-O 3.39Å; R434-E437 PolarHBondContact O-N 3.18Å; P435-E437 VanDerWaalsContact C-N 3.33Å; E437-Y446 VanDerWaalsContact O-CA 3.29Å; E437-Y446 WeakPolarHBondContact O-CA 3.34Å; E437-A447 PolarHBondContact O-N 2.92Å; E437-I448 HydrophobicContact CB-CG2 4.17Å; E437-I448 HydrophobicContact CG-CG2 4.12Å; E437-L469 HydrophobicContact CB-CD1 4.2Å; E437-L469 HydrophobicContact CB-CD2 4.12Å; E437-R472 IonicContact OE1-NH2 3.63Å; E437-R472 IonicContact OE2-CZ 2.8Å; E437-R472 IonicContact OE2-NE 3.88Å; E437-R472 IonicContact OE2-NH2 2.93Å; E437-R472 PolarHBondContact OE2-NH2 2.9Å; E437-C481 WeakPolarHBondContact OE1-CB 3.29Å; E437-Y483 PolarHBondContact OE1-OH 3.23Å |
| 438 | Q | 97.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 134.9 | 174.6 | -166.3 | -171 | 51.8 | 0 | 0 | 111.1 | C50 C433 R434 N436 V440 P443 Y446 | C50-Q438 PolarHBondContact O-NE2 2.86Å; C50-Q438 VanDerWaalsContact O-NE2 3.17Å; C50-Q438 PolarHBondContact O-OE1 3.04Å; C433-Q438 CarbonylContact C-O 3.54Å; C433-Q438 WeakPolarHBondContact CA-O 3.43Å; C433-Q438 WeakPolarHBondContact CB-O 3.27Å; R434-Q438 PolarHBondContact N-O 2.97Å; N436-Q438 PolarHBondContact O-N 2.66Å; N436-Q438 WeakPolarHBondContact OD1-CB 3.26Å; N436-Q438 PolarHBondContact OD1-N 3.39Å; Q438-V440 PolarHBondContact O-N 3.33Å; Q438-P443 PolarHBondContact NE2-O 3.46Å; Q438-Y446 HydrophobicContact CB-CD1 3.78Å; Q438-Y446 HydrophobicContact CB-CE1 3.44Å; Q438-Y446 VanDerWaalsContact CB-CE1 3.44Å; Q438-Y446 HydrophobicContact CG-CD1 4.15Å; Q438-Y446 HydrophobicContact CG-CE1 3.63Å; Q438-Y446 HydrophobicContact CG-CE2 4.32Å; Q438-Y446 PolarHBondContact NE2-OH 3.36Å |
| 439 | S | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -52.2 | 136 | 174 | 167 | 0 | 0 | 0 | 0 | 111.2 | R434 S441 V442 V445 | R434-S439 PolarHBondContact NH1-O 3.49Å; S439-S441 PolarHBondContact O-N 3.22Å; S439-S441 PolarHBondContact OG-N 3.46Å; S439-V442 WeakPolarHBondContact CB-O 3.36Å; S439-V442 PolarHBondContact OG-N 2.69Å; S439-V445 WeakPolarHBondContact CB-O 3.2Å; S439-V445 PolarHBondContact N-O 2.91Å |
| 440 | V | 94.5 | Very high | 95.9 | Very high | 43 Ų | 43 | 18.5 Ų | 18.5 | 26% | 0.261 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -64.7 | -22.1 | 178.9 | -64.3 | 0 | 0 | 0 | 0 | 112.8 | K407 I432 R434 Q438 | K407-V440 HydrophobicContact CB-CG2 3.82Å; K407-V440 HydrophobicContact CD-CG2 3.95Å; K407-V440 HydrophobicContact CG-CG2 4.39Å; I432-V440 HydrophobicContact CB-CG2 4.05Å; I432-V440 HydrophobicContact CG2-CG1 3.88Å; I432-V440 HydrophobicContact CG2-CG2 3.9Å; I432-V440 WeakPolarHBondContact O-CG2 3.16Å; I432-V440 PolarHBondContact O-N 3.43Å; R434-V440 HydrophobicContact CG-CG1 4.07Å; R434-V440 PolarHBondContact NH2-O 3.2Å; Q438-V440 PolarHBondContact O-N 3.33Å |
| 441 | S | 92.7 | Very high | 95.9 | Very high | 30 Ų | 30 | 17.8 Ų | 17.8 | 21% | 0.21 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -117.7 | -16.5 | -173.5 | 61.2 | 0 | 0 | 0 | 0 | 115.9 | G405 V406 K407 S439 | G405-S441 WeakPolarHBondContact O-CB 3.43Å; G405-S441 PolarHBondContact O-OG 3.06Å; V406-S441 WeakPolarHBondContact CA-OG 3.25Å; K407-S441 PolarHBondContact N-OG 3.41Å; S439-S441 PolarHBondContact O-N 3.22Å; S439-S441 PolarHBondContact OG-N 3.46Å |
| 442 | V | 94.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 18.3 Ų | 18.3 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | trans | -133.6 | 103.4 | -178.1 | -176 | 0 | 0 | 0 | 0 | 110 | L404 V406 S439 Y444 V445 | L404-V442 HydrophobicContact CB-CG2 4.35Å; L404-V442 VanDerWaalsContact O-CG2 3.31Å; L404-V442 WeakPolarHBondContact O-CG2 3.39Å; V406-V442 HydrophobicContact CB-CG2 4.42Å; V406-V442 HydrophobicContact CG2-CB 3.92Å; V406-V442 HydrophobicContact CG2-CG2 3.57Å; S439-V442 WeakPolarHBondContact CB-O 3.36Å; S439-V442 PolarHBondContact OG-N 2.69Å; V442-Y444 VanDerWaalsContact C-N 3.28Å; V442-Y444 HydrophobicContact CG1-CD1 3.87Å; V442-Y444 HydrophobicContact CG1-CD2 3.98Å; V442-Y444 HydrophobicContact CG1-CE1 3.46Å; V442-Y444 VanDerWaalsContact CG1-CE1 3.46Å; V442-Y444 HydrophobicContact CG1-CE2 3.58Å; V442-Y444 HydrophobicContact CG1-CG 4.11Å; V442-Y444 PolarHBondContact O-N 2.93Å; V442-Y444 VanDerWaalsContact O-N 3.15Å; V442-V445 HydrophobicContact CB-CB 4.16Å; V442-V445 HydrophobicContact CB-CG2 4.11Å; V442-V445 HydrophobicContact CG1-CB 4.12Å; V442-V445 HydrophobicContact CG1-CG2 3.6Å; V442-V445 PolarHBondContact O-N 3.05Å | ||
| 443 | P | 93.5 | Very high | 95.8 | Very high | 15 Ų | 15 | 18 Ų | 18 | 10% | 0.097 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.5 | -169.1 | -28 | 35.8 | 0 | 0 | 0 | 116.3 | D49 V51 Q438 Y446 | D49-P443 HydrophobicContact CB-CB 4.4Å; V51-P443 HydrophobicContact CB-CG 4.42Å; V51-P443 HydrophobicContact CG1-CG 4.36Å; V51-P443 HydrophobicContact CG2-CB 4.25Å; V51-P443 HydrophobicContact CG2-CG 4.21Å; Q438-P443 PolarHBondContact NE2-O 3.46Å; P443-Y446 WeakPolarHBondContact O-CE2 3.3Å |
| 444 | Y | 95 | Very high | 95.3 | Very high | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 3.7 | 179.8 | 57.3 | -96.1 | 0 | 0 | 0 | 113.6 | S221 H222 D239 R240 F241 V442 | S221-Y444 WeakPolarHBondContact CB-OH 3.47Å; H222-Y444 AromaticContact CE1-CD1 3.63Å; H222-Y444 AromaticContact CE1-CD2 3.85Å; H222-Y444 AromaticContact CE1-CG 3.43Å; H222-Y444 VanDerWaalsContact CE1-CG 3.43Å; H222-Y444 AromaticContact NE2-CD1 3.35Å; H222-Y444 VanDerWaalsContact NE2-CD1 3.35Å; H222-Y444 WeakPolarHBondContact NE2-CD1 3.36Å; H222-Y444 AromaticContact NE2-CE1 3.55Å; H222-Y444 AromaticContact NE2-CG 3.64Å; D239-Y444 WeakPolarHBondContact O-CB 3.49Å; R240-Y444 WeakPolarHBondContact CA-O 3.37Å; F241-Y444 HydrophobicContact CD2-CD2 4.18Å; F241-Y444 PolarHBondContact N-O 2.77Å; V442-Y444 VanDerWaalsContact C-N 3.28Å; V442-Y444 HydrophobicContact CG1-CD1 3.87Å; V442-Y444 HydrophobicContact CG1-CD2 3.98Å; V442-Y444 HydrophobicContact CG1-CE1 3.46Å; V442-Y444 VanDerWaalsContact CG1-CE1 3.46Å; V442-Y444 HydrophobicContact CG1-CE2 3.58Å; V442-Y444 HydrophobicContact CG1-CG 4.11Å; V442-Y444 PolarHBondContact O-N 2.93Å; V442-Y444 VanDerWaalsContact O-N 3.15Å |
| 445 | V | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 133.1 | 176.4 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | F241 I243 L404 V406 S439 V442 | F241-V445 WeakPolarHBondContact O-CA 3.16Å; I243-V445 HydrophobicContact CG1-CG1 4.01Å; L404-V445 HydrophobicContact CD1-CG2 4.07Å; V406-V445 HydrophobicContact CG2-CB 4.21Å; V406-V445 HydrophobicContact CG2-CG1 4.03Å; V406-V445 HydrophobicContact CG2-CG2 4.11Å; S439-V445 WeakPolarHBondContact CB-O 3.2Å; S439-V445 PolarHBondContact N-O 2.91Å; V442-V445 HydrophobicContact CB-CB 4.16Å; V442-V445 HydrophobicContact CB-CG2 4.11Å; V442-V445 HydrophobicContact CG1-CB 4.12Å; V442-V445 HydrophobicContact CG1-CG2 3.6Å; V442-V445 PolarHBondContact O-N 3.05Å |
| 446 | Y | 98.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 17.2 Ų | 17.2 | 5% | 0.051 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 157.9 | 179.6 | -65.5 | -101.5 | 0 | 0 | 0 | 109.9 | D49 R240 F241 I243 E437 Q438 P443 L469 M473 | D49-Y446 WeakPolarHBondContact OD1-CE2 3.42Å; D49-Y446 PolarHBondContact OD1-OH 3.08Å; R240-Y446 HydrophobicContact CG-CE2 4.49Å; F241-Y446 PolarHBondContact O-N 3.4Å; I243-Y446 PolarHBondContact N-O 3.33Å; E437-Y446 VanDerWaalsContact O-CA 3.29Å; E437-Y446 WeakPolarHBondContact O-CA 3.34Å; Q438-Y446 HydrophobicContact CB-CD1 3.78Å; Q438-Y446 HydrophobicContact CB-CE1 3.44Å; Q438-Y446 VanDerWaalsContact CB-CE1 3.44Å; Q438-Y446 HydrophobicContact CG-CD1 4.15Å; Q438-Y446 HydrophobicContact CG-CE1 3.63Å; Q438-Y446 HydrophobicContact CG-CE2 4.32Å; Q438-Y446 PolarHBondContact NE2-OH 3.36Å; P443-Y446 WeakPolarHBondContact O-CE2 3.3Å; Y446-L469 HydrophobicContact CD1-CD1 3.79Å; Y446-L469 HydrophobicContact CD1-CD2 4.15Å; Y446-L469 HydrophobicContact CD1-CG 4.49Å; Y446-L469 HydrophobicContact CE1-CD1 4.08Å; Y446-L469 HydrophobicContact CG-CD2 4.35Å; Y446-M473 HydrophobicContact CD1-CE 3.32Å; Y446-M473 HydrophobicContact CD2-CE 3.24Å; Y446-M473 HydrophobicContact CE1-CE 3.42Å; Y446-M473 VanDerWaalsContact CE1-CE 3.42Å; Y446-M473 HydrophobicContact CE2-CE 3.37Å; Y446-M473 HydrophobicContact CG-CE 3.23Å; Y446-M473 VanDerWaalsContact CZ-CE 3.45Å |
| 447 | A | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I243 V431 E437 V451 | I243-A447 HydrophobicContact CB-CB 4.3Å; I243-A447 VanDerWaalsContact O-CA 3.3Å; I243-A447 WeakPolarHBondContact O-CA 3.37Å; V431-A447 HydrophobicContact CB-CB 3.72Å; V431-A447 HydrophobicContact CG1-CB 3.83Å; V431-A447 HydrophobicContact CG2-CB 4.22Å; E437-A447 PolarHBondContact O-N 2.92Å; A447-V451 HydrophobicContact CB-CG1 4.38Å |
| 448 | I | 98.2 | Very high | 94.8 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | trans | -139.9 | 161.3 | 178.4 | 64.4 | 173.4 | 0 | 0 | 0 | 112 | A89 L242 I243 A244 E437 V451 A465 G466 L469 | A89-I448 HydrophobicContact CB-CD1 4.42Å; L242-I448 HydrophobicContact CD1-CB 4.43Å; L242-I448 HydrophobicContact CD1-CD1 4.26Å; L242-I448 HydrophobicContact CD1-CG1 3.92Å; L242-I448 HydrophobicContact CD1-CG2 3.99Å; L242-I448 HydrophobicContact CD2-CD1 3.86Å; L242-I448 HydrophobicContact CD2-CG1 4.34Å; L242-I448 HydrophobicContact CG-CD1 4.41Å; L242-I448 HydrophobicContact CG-CG1 4.36Å; I243-I448 PolarHBondContact O-N 3.47Å; I243-I448 VanDerWaalsContact O-N 3.14Å; A244-I448 HydrophobicContact CB-CD1 4.46Å; A244-I448 HydrophobicContact CB-CG1 3.99Å; E437-I448 HydrophobicContact CB-CG2 4.17Å; E437-I448 HydrophobicContact CG-CG2 4.12Å; I448-V451 WeakPolarHBondContact O-CG1 3.45Å; I448-A465 HydrophobicContact CB-CB 4.37Å; I448-A465 HydrophobicContact CG2-CB 4.18Å; I448-G466 VanDerWaalsContact CD1-CA 3.44Å; I448-L469 HydrophobicContact CG2-CD2 3.87Å | ||
| 449 | G | 97.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 8% | 0.082 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | 69.9 | -154.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V451 L452 | G449-V451 PolarHBondContact O-N 2.98Å; G449-L452 VanDerWaalsContact O-CB 3.24Å; G449-L452 WeakPolarHBondContact O-CB 3.37Å; G449-L452 PolarHBondContact O-N 3.44Å |
| 450 | D | 95.9 | Very high | 94.8 | Very high | 34 Ų | 34 | 28.3 Ų | 28.3 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -63.9 | -20.5 | -165.4 | -47.5 | 0.6 | 0 | 0 | 0 | 114.5 | L247 K430 L452 E457 | L247-D450 HydrophobicContact CD1-CB 3.79Å; L247-D450 HydrophobicContact CD2-CB 4.28Å; L247-D450 HydrophobicContact CG-CB 3.56Å; K430-D450 VanDerWaalsContact CD-O 3.26Å; K430-D450 WeakPolarHBondContact CD-O 3.28Å; K430-D450 WeakPolarHBondContact CE-O 3.43Å; K430-D450 PolarHBondContact NZ-O 3.23Å; D450-L452 VanDerWaalsContact C-N 3.29Å; D450-E457 HydrophobicContact CB-CB 4.41Å; D450-E457 HydrophobicContact CB-CG 4.03Å; D450-E457 WeakPolarHBondContact OD1-CA 3.47Å |
| 451 | V | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -77 | -13.6 | 177 | 71.6 | 0 | 0 | 0 | 0 | 113 | I243 A394 T396 K430 V431 A447 I448 G449 | I243-V451 HydrophobicContact CG2-CG1 4.18Å; I243-V451 HydrophobicContact CG2-CG2 4.15Å; I243-V451 WeakPolarHBondContact O-CG1 3.48Å; A394-V451 HydrophobicContact CB-CG2 4.32Å; T396-V451 HydrophobicContact CG2-CG2 3.62Å; K430-V451 CarbonylContact C-O 3.51Å; K430-V451 VanDerWaalsContact CA-O 3.27Å; K430-V451 WeakPolarHBondContact CA-O 3.5Å; K430-V451 VanDerWaalsContact CB-O 3.24Å; K430-V451 WeakPolarHBondContact CB-O 3.37Å; V431-V451 HydrophobicContact CG2-CG2 4.34Å; V431-V451 PolarHBondContact N-O 2.84Å; A447-V451 HydrophobicContact CB-CG1 4.38Å; I448-V451 WeakPolarHBondContact O-CG1 3.45Å; G449-V451 PolarHBondContact O-N 2.98Å |
| 452 | L | 96.4 | Very high | 95.2 | Very high | 12 Ų | 12 | 25.6 Ų | 25.6 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -78.5 | 127.6 | 176.5 | 174 | 62.5 | 0 | 0 | 0 | 110.3 | C433 G449 D450 G455 Y483 | C433-L452 HydrophobicContact CB-CD1 3.52Å; G449-L452 VanDerWaalsContact O-CB 3.24Å; G449-L452 WeakPolarHBondContact O-CB 3.37Å; G449-L452 PolarHBondContact O-N 3.44Å; D450-L452 VanDerWaalsContact C-N 3.29Å; L452-G455 PolarHBondContact O-N 2.72Å; L452-G455 VanDerWaalsContact O-N 3.07Å; L452-Y483 HydrophobicContact CD2-CE1 4.5Å |
| 453 | D | 94.4 | Very high | 95.4 | Very high | 46 Ų | 46 | 28.2 Ų | 28.2 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | 134.6 | 175.3 | -168.6 | 52.9 | 0 | 0 | 0 | 110.9 | N409 N428 K430 V431 I432 G455 | N409-D453 HydrophobicContact CB-CB 4.37Å; N409-D453 WeakPolarHBondContact CB-OD1 3.47Å; N409-D453 VanDerWaalsContact ND2-CG 3.31Å; N409-D453 PolarHBondContact ND2-OD1 2.93Å; N409-D453 PolarHBondContact ND2-OD2 2.91Å; N428-D453 PolarHBondContact ND2-OD1 3.03Å; K430-D453 HydrophobicContact CB-CB 3.9Å; V431-D453 WeakPolarHBondContact O-CB 3.32Å; V431-D453 PolarHBondContact O-N 3.3Å; I432-D453 HydrophobicContact CG1-CB 4.27Å; D453-G455 PolarHBondContact O-N 2.88Å; D453-G455 VanDerWaalsContact O-N 3.14Å |
| 454 | G | 87 | Confident | 95.6 | Very high | 70 Ų | 70 | 32.7 Ų | 32.7 | 72% | 0.722 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | -1.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 455 | G | 85.5 | Confident | 95.7 | Very high | 14 Ų | 14 | 32.5 Ų | 32.5 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | trans | -70.1 | 152.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L452 D453 | L452-G455 PolarHBondContact O-N 2.72Å; L452-G455 VanDerWaalsContact O-N 3.07Å; D453-G455 PolarHBondContact O-N 2.88Å; D453-G455 VanDerWaalsContact O-N 3.14Å | ||
| 456 | L | 92 | Very high | 95.8 | Very high | 58 Ų | 58 | 32.5 Ų | 32.5 | 30% | 0.304 | 19% | 0.194 | S | C | . | . | trans | -83.4 | 130.7 | 172.7 | -60.2 | 177.2 | 0 | 0 | 0 | 110.6 | L458 V461 Y483 V486 | L456-L458 HydrophobicContact CB-CD1 4.28Å; L456-L458 HydrophobicContact CB-CG 4.4Å; L456-L458 HydrophobicContact CD1-CD1 4.47Å; L456-L458 PolarHBondContact O-N 3.2Å; L456-V461 HydrophobicContact CB-CG1 4.41Å; L456-V461 HydrophobicContact CB-CG2 4.32Å; L456-V461 HydrophobicContact CD1-CG2 4.23Å; L456-Y483 WeakPolarHBondContact CD1-O 3.5Å; L456-Y483 HydrophobicContact CG-CD1 4.48Å; L456-V486 HydrophobicContact CD1-CB 3.75Å; L456-V486 HydrophobicContact CD1-CG1 4.23Å; L456-V486 HydrophobicContact CD1-CG2 3.51Å | ||
| 457 | E | 93.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 35.7 Ų | 35.7 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | trans | -79.6 | 55.7 | -178.7 | -58.9 | -178.6 | -174.1 | 0 | 0 | 111.8 | L247 Y284 K430 D450 | L247-E457 HydrophobicContact CD1-CG 4.29Å; L247-E457 WeakPolarHBondContact CD1-OE1 3.45Å; Y284-E457 PolarHBondContact OH-OE2 2.83Å; K430-E457 IonicContact NZ-OE1 3.85Å; K430-E457 PolarHBondContact NZ-OE1 3.31Å; D450-E457 HydrophobicContact CB-CB 4.41Å; D450-E457 HydrophobicContact CB-CG 4.03Å; D450-E457 WeakPolarHBondContact OD1-CA 3.47Å | ||
| 458 | L | 95.8 | Very high | 95.7 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 23% | 0.23 | 21% | 0.213 | C | C | . | . | trans | -129.9 | 125.6 | -172.5 | -64 | 174.9 | 0 | 0 | 0 | 111.4 | L456 V461 A462 V486 T488 | L456-L458 HydrophobicContact CB-CD1 4.28Å; L456-L458 HydrophobicContact CB-CG 4.4Å; L456-L458 HydrophobicContact CD1-CD1 4.47Å; L456-L458 PolarHBondContact O-N 3.2Å; L458-V461 HydrophobicContact CB-CB 4.25Å; L458-V461 HydrophobicContact CB-CG2 3.88Å; L458-V461 HydrophobicContact CD1-CG2 4.25Å; L458-V461 WeakPolarHBondContact O-CB 3.41Å; L458-V461 PolarHBondContact O-N 3.02Å; L458-V461 VanDerWaalsContact O-N 3.09Å; L458-A462 PolarHBondContact O-N 3.21Å; L458-V486 HydrophobicContact CD1-CG1 3.73Å; L458-T488 HydrophobicContact CD1-CG2 4.4Å; L458-T488 WeakPolarHBondContact CD1-OG1 3.41Å; L458-T488 HydrophobicContact CD2-CG2 4.1Å | ||
| 459 | T | 96.8 | Very high | 95.7 | Very high | 32 Ų | 32 | 36.8 Ų | 36.8 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -52.6 | -47.1 | 179.5 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | S84 C127 V461 A462 I463 | S84-T459 WeakPolarHBondContact OG-CG2 3.29Å; C127-T459 HydrophobicContact CB-CG2 3.98Å; C127-T459 WeakPolarHBondContact CB-OG1 3.48Å; C127-T459 WeakPolarHBondContact SG-CG2 3.25Å; C127-T459 PolarHBondContact SG-OG1 3.04Å; C127-T459 VanDerWaalsContact SG-OG1 3.33Å; T459-V461 VanDerWaalsContact C-N 3.29Å; T459-V461 PolarHBondContact O-N 3.24Å; T459-A462 PolarHBondContact O-N 2.98Å; T459-I463 HydrophobicContact CG2-CD1 3.91Å; T459-I463 HydrophobicContact CG2-CG1 4.42Å; T459-I463 WeakPolarHBondContact O-CG1 3.39Å; T459-I463 PolarHBondContact O-N 3.31Å |
| 460 | P | 97 | Very high | 95.8 | Very high | 95 Ų | 95 | 36.5 Ų | 36.5 | 62% | 0.617 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61.4 | -37.3 | 179.5 | -23.8 | 36.1 | 0 | 0 | 0 | 112.8 | I463 K464 | P460-I463 PolarHBondContact O-N 3.47Å; P460-K464 WeakPolarHBondContact O-CB 3.45Å; P460-K464 PolarHBondContact O-N 3.44Å |
| 461 | V | 97.2 | Very high | 95.8 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.3 | -47.1 | 175.9 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | L456 L458 T459 I463 K464 A465 Y483 V486 | L456-V461 HydrophobicContact CB-CG1 4.41Å; L456-V461 HydrophobicContact CB-CG2 4.32Å; L456-V461 HydrophobicContact CD1-CG2 4.23Å; L458-V461 HydrophobicContact CB-CB 4.25Å; L458-V461 HydrophobicContact CB-CG2 3.88Å; L458-V461 HydrophobicContact CD1-CG2 4.25Å; L458-V461 WeakPolarHBondContact O-CB 3.41Å; L458-V461 PolarHBondContact O-N 3.02Å; L458-V461 VanDerWaalsContact O-N 3.09Å; T459-V461 VanDerWaalsContact C-N 3.29Å; T459-V461 PolarHBondContact O-N 3.24Å; V461-I463 VanDerWaalsContact C-N 3.32Å; V461-I463 PolarHBondContact O-N 3.15Å; V461-K464 PolarHBondContact O-N 2.94Å; V461-A465 VanDerWaalsContact O-CB 3.27Å; V461-A465 WeakPolarHBondContact O-CB 3.33Å; V461-A465 PolarHBondContact O-N 3.26Å; V461-Y483 HydrophobicContact CG1-CD1 3.61Å; V461-Y483 HydrophobicContact CG1-CE1 3.45Å; V461-Y483 VanDerWaalsContact CG1-CE1 3.45Å; V461-V486 HydrophobicContact CG2-CB 4.43Å; V461-V486 HydrophobicContact CG2-CG1 3.54Å; V461-V486 HydrophobicContact CG2-CG2 4.14Å |
| 462 | A | 98.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G85 L458 T459 G466 | G85-A462 VanDerWaalsContact CA-O 3.25Å; G85-A462 WeakPolarHBondContact CA-O 3.35Å; L458-A462 PolarHBondContact O-N 3.21Å; T459-A462 PolarHBondContact O-N 2.98Å; A462-G466 PolarHBondContact O-N 2.91Å |
| 463 | I | 98.4 | Very high | 95.5 | Very high | 58 Ų | 58 | 40.3 Ų | 40.3 | 30% | 0.297 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63 | -47.8 | 175.2 | -67.7 | 167.1 | 0 | 0 | 0 | 110.7 | A88 T459 P460 V461 G466 K467 | A88-I463 HydrophobicContact CB-CB 4.36Å; A88-I463 HydrophobicContact CB-CG2 3.94Å; T459-I463 HydrophobicContact CG2-CD1 3.91Å; T459-I463 HydrophobicContact CG2-CG1 4.42Å; T459-I463 WeakPolarHBondContact O-CG1 3.39Å; T459-I463 PolarHBondContact O-N 3.31Å; P460-I463 PolarHBondContact O-N 3.47Å; V461-I463 VanDerWaalsContact C-N 3.32Å; V461-I463 PolarHBondContact O-N 3.15Å; I463-G466 PolarHBondContact O-N 2.83Å; I463-K467 WeakPolarHBondContact O-CG 3.3Å; I463-K467 PolarHBondContact O-N 3.31Å; I463-K467 VanDerWaalsContact O-N 3.08Å |
| 464 | K | 97.9 | Very high | 95.6 | Very high | 109 Ų | 109 | 39.5 Ų | 39.5 | 47% | 0.474 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64 | -48.5 | -177.9 | -173.5 | 64.2 | 167.9 | -179.3 | 0 | 111.1 | P460 V461 G466 K467 M468 | P460-K464 WeakPolarHBondContact O-CB 3.45Å; P460-K464 PolarHBondContact O-N 3.44Å; V461-K464 PolarHBondContact O-N 2.94Å; K464-G466 PolarHBondContact O-N 2.89Å; K464-K467 PolarHBondContact O-N 2.82Å; K464-M468 HydrophobicContact CD-CG 4.29Å; K464-M468 HydrophobicContact CD-SD 3.88Å; K464-M468 WeakPolarHBondContact CE-SD 3.46Å; K464-M468 HydrophobicContact CG-CG 4.46Å; K464-M468 HydrophobicContact CG-SD 3.8Å; K464-M468 WeakPolarHBondContact O-CB 3.37Å; K464-M468 VanDerWaalsContact O-CG 3.28Å; K464-M468 WeakPolarHBondContact O-CG 3.01Å; K464-M468 PolarHBondContact O-N 3.04Å |
| 465 | A | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.3 | -47.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | I448 V461 K467 M468 L469 C481 Y483 | I448-A465 HydrophobicContact CB-CB 4.37Å; I448-A465 HydrophobicContact CG2-CB 4.18Å; V461-A465 VanDerWaalsContact O-CB 3.27Å; V461-A465 WeakPolarHBondContact O-CB 3.33Å; V461-A465 PolarHBondContact O-N 3.26Å; A465-K467 PolarHBondContact O-N 3.49Å; A465-M468 PolarHBondContact O-N 2.79Å; A465-L469 WeakPolarHBondContact O-CB 3.47Å; A465-L469 PolarHBondContact O-N 2.86Å; A465-C481 HydrophobicContact CB-CB 4.12Å; A465-Y483 WeakPolarHBondContact CB-OH 3.5Å |
| 466 | G | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A89 I448 A462 I463 K464 A470 | A89-G466 WeakPolarHBondContact CA-O 3.37Å; A89-G466 WeakPolarHBondContact CB-O 3.3Å; I448-G466 VanDerWaalsContact CD1-CA 3.44Å; A462-G466 PolarHBondContact O-N 2.91Å; I463-G466 PolarHBondContact O-N 2.83Å; K464-G466 PolarHBondContact O-N 2.89Å; G466-A470 WeakPolarHBondContact O-CB 3.2Å; G466-A470 PolarHBondContact O-N 3.36Å; G466-A470 VanDerWaalsContact O-N 3.12Å |
| 467 | K | 98.5 | Very high | 95.7 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 35% | 0.348 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.1 | -46.7 | 175.7 | -69.9 | -175.1 | 175.6 | -176.5 | 0 | 112.2 | A88 E92 I463 K464 A465 L469 A470 R471 | A88-K467 HydrophobicContact CB-CG 4.08Å; E92-K467 HydrophobicContact CB-CG 4.47Å; E92-K467 HydrophobicContact CG-CB 4.34Å; E92-K467 HydrophobicContact CG-CG 4.47Å; I463-K467 WeakPolarHBondContact O-CG 3.3Å; I463-K467 PolarHBondContact O-N 3.31Å; I463-K467 VanDerWaalsContact O-N 3.08Å; K464-K467 PolarHBondContact O-N 2.82Å; A465-K467 PolarHBondContact O-N 3.49Å; K467-L469 VanDerWaalsContact C-N 3.33Å; K467-L469 PolarHBondContact O-N 3.48Å; K467-A470 PolarHBondContact O-N 3.22Å; K467-R471 VanDerWaalsContact O-CG 3.25Å; K467-R471 WeakPolarHBondContact O-CG 3.34Å; K467-R471 PolarHBondContact O-N 3.13Å |
| 468 | M | 97.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 39.5 Ų | 39.5 | 11% | 0.108 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | -177.2 | -69.2 | -177.2 | 83.5 | 0 | 0 | 111.4 | K464 A465 R471 R472 Y479 L480 C481 | K464-M468 HydrophobicContact CD-CG 4.29Å; K464-M468 HydrophobicContact CD-SD 3.88Å; K464-M468 WeakPolarHBondContact CE-SD 3.46Å; K464-M468 HydrophobicContact CG-CG 4.46Å; K464-M468 HydrophobicContact CG-SD 3.8Å; K464-M468 WeakPolarHBondContact O-CB 3.37Å; K464-M468 VanDerWaalsContact O-CG 3.28Å; K464-M468 WeakPolarHBondContact O-CG 3.01Å; K464-M468 PolarHBondContact O-N 3.04Å; A465-M468 PolarHBondContact O-N 2.79Å; M468-R471 PolarHBondContact O-N 2.99Å; M468-R472 WeakPolarHBondContact O-CB 3.33Å; M468-R472 PolarHBondContact O-N 3.16Å; M468-Y479 WeakPolarHBondContact CE-O 3.28Å; M468-L480 WeakPolarHBondContact CE-O 3.27Å; M468-C481 HydrophobicContact SD-CB 4.22Å |
| 469 | L | 97.8 | Very high | 95 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.8 | -49.1 | 174.1 | -176.6 | 59.6 | 0 | 0 | 0 | 111.8 | L242 E437 Y446 I448 A465 K467 R471 R472 M473 | L242-L469 HydrophobicContact CD1-CD2 3.73Å; E437-L469 HydrophobicContact CB-CD1 4.2Å; E437-L469 HydrophobicContact CB-CD2 4.12Å; Y446-L469 HydrophobicContact CD1-CD1 3.79Å; Y446-L469 HydrophobicContact CD1-CD2 4.15Å; Y446-L469 HydrophobicContact CD1-CG 4.49Å; Y446-L469 HydrophobicContact CE1-CD1 4.08Å; Y446-L469 HydrophobicContact CG-CD2 4.35Å; I448-L469 HydrophobicContact CG2-CD2 3.87Å; A465-L469 WeakPolarHBondContact O-CB 3.47Å; A465-L469 PolarHBondContact O-N 2.86Å; K467-L469 VanDerWaalsContact C-N 3.33Å; K467-L469 PolarHBondContact O-N 3.48Å; L469-R471 VanDerWaalsContact C-N 3.33Å; L469-R471 PolarHBondContact O-N 3.08Å; L469-R472 WeakPolarHBondContact O-CB 3.41Å; L469-R472 PolarHBondContact O-N 2.89Å; L469-R472 VanDerWaalsContact O-N 3.07Å; L469-M473 HydrophobicContact CD1-CE 3.71Å; L469-M473 HydrophobicContact CD1-CG 4.32Å; L469-M473 HydrophobicContact CD1-SD 4.35Å; L469-M473 HydrophobicContact CD2-CE 3.86Å; L469-M473 HydrophobicContact CG-CE 3.65Å; L469-M473 HydrophobicContact CG-CG 4.46Å; L469-M473 HydrophobicContact CG-SD 3.98Å; L469-M473 WeakPolarHBondContact O-CG 3.28Å; L469-M473 PolarHBondContact O-N 3.3Å |
| 470 | A | 98.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 46 Ų | 46 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E92 A93 G466 K467 R472 M473 F474 | E92-A470 HydrophobicContact CB-CB 3.77Å; E92-A470 HydrophobicContact CG-CB 3.98Å; A93-A470 HydrophobicContact CB-CB 4.19Å; G466-A470 WeakPolarHBondContact O-CB 3.2Å; G466-A470 PolarHBondContact O-N 3.36Å; G466-A470 VanDerWaalsContact O-N 3.12Å; K467-A470 PolarHBondContact O-N 3.22Å; A470-R472 VanDerWaalsContact C-N 3.32Å; A470-R472 PolarHBondContact O-N 3.15Å; A470-M473 PolarHBondContact O-N 2.71Å; A470-F474 WeakPolarHBondContact O-CD2 3.44Å; A470-F474 PolarHBondContact O-N 3.26Å |
| 471 | R | 96.7 | Very high | 94.6 | Very high | 93 Ų | 93 | 42 Ų | 42 | 35% | 0.351 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.9 | -35.8 | 173.5 | -69.1 | 168.1 | -174 | -167.3 | -3.9 | 112.5 | E92 F96 K467 M468 L469 G475 A476 S477 | E92-R471 HydrophobicContact CG-CG 4.05Å; E92-R471 IonicContact OE1-CZ 3.18Å; E92-R471 VanDerWaalsContact OE1-CZ 3.23Å; E92-R471 IonicContact OE1-NE 2.86Å; E92-R471 PolarHBondContact OE1-NE 3.45Å; E92-R471 IonicContact OE1-NH2 3.16Å; E92-R471 PolarHBondContact OE1-NH2 2.93Å; E92-R471 IonicContact OE2-NH2 3.83Å; F96-R471 HydrophobicContact CE2-CB 4.46Å; F96-R471 HydrophobicContact CE2-CG 4.01Å; F96-R471 HydrophobicContact CZ-CB 4.49Å; F96-R471 HydrophobicContact CZ-CG 4.12Å; K467-R471 VanDerWaalsContact O-CG 3.25Å; K467-R471 WeakPolarHBondContact O-CG 3.34Å; K467-R471 PolarHBondContact O-N 3.13Å; M468-R471 PolarHBondContact O-N 2.99Å; L469-R471 VanDerWaalsContact C-N 3.33Å; L469-R471 PolarHBondContact O-N 3.08Å; R471-G475 CarbonylContact O-C 3.57Å; R471-G475 WeakPolarHBondContact O-CA 3.2Å; R471-G475 PolarHBondContact O-N 3.09Å; R471-A476 PolarHBondContact O-N 2.78Å; R471-A476 VanDerWaalsContact O-N 3.11Å; R471-S477 PolarHBondContact O-N 2.83Å |
| 472 | R | 93.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 45.7 Ų | 45.7 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.4 | -46.8 | 176.4 | -167 | -165.9 | -28 | -60.8 | -2.5 | 111.1 | Y35 E437 M468 L469 A470 S477 Y479 | Y35-R472 HydrophobicContact CD2-CG 3.75Å; Y35-R472 HydrophobicContact CE2-CB 4.45Å; Y35-R472 HydrophobicContact CE2-CG 3.23Å; Y35-R472 PolarHBondContact OH-O 3Å; E437-R472 IonicContact OE1-NH2 3.63Å; E437-R472 IonicContact OE2-CZ 2.8Å; E437-R472 IonicContact OE2-NE 3.88Å; E437-R472 IonicContact OE2-NH2 2.93Å; E437-R472 PolarHBondContact OE2-NH2 2.9Å; M468-R472 WeakPolarHBondContact O-CB 3.33Å; M468-R472 PolarHBondContact O-N 3.16Å; L469-R472 WeakPolarHBondContact O-CB 3.41Å; L469-R472 PolarHBondContact O-N 2.89Å; L469-R472 VanDerWaalsContact O-N 3.07Å; A470-R472 VanDerWaalsContact C-N 3.32Å; A470-R472 PolarHBondContact O-N 3.15Å; R472-S477 WeakPolarHBondContact CG-O 3.48Å; R472-Y479 VanDerWaalsContact NH1-C 3.26Å; R472-Y479 PolarHBondContact NH1-O 3.47Å |
| 473 | M | 93.6 | Very high | 94.1 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 13% | 0.133 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.9 | -42.1 | -178.4 | -72.8 | 171.5 | 167.3 | 0 | 0 | 113 | Y446 L469 A470 | Y446-M473 HydrophobicContact CD1-CE 3.32Å; Y446-M473 HydrophobicContact CD2-CE 3.24Å; Y446-M473 HydrophobicContact CE1-CE 3.42Å; Y446-M473 VanDerWaalsContact CE1-CE 3.42Å; Y446-M473 HydrophobicContact CE2-CE 3.37Å; Y446-M473 HydrophobicContact CG-CE 3.23Å; Y446-M473 VanDerWaalsContact CZ-CE 3.45Å; L469-M473 HydrophobicContact CD1-CE 3.71Å; L469-M473 HydrophobicContact CD1-CG 4.32Å; L469-M473 HydrophobicContact CD1-SD 4.35Å; L469-M473 HydrophobicContact CD2-CE 3.86Å; L469-M473 HydrophobicContact CG-CE 3.65Å; L469-M473 HydrophobicContact CG-CG 4.46Å; L469-M473 HydrophobicContact CG-SD 3.98Å; L469-M473 WeakPolarHBondContact O-CG 3.28Å; L469-M473 PolarHBondContact O-N 3.3Å; A470-M473 PolarHBondContact O-N 2.71Å |
| 474 | F | 95.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 52 Ų | 52 | 12% | 0.123 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -122.2 | -11.3 | -166.3 | -56 | -61.6 | 0 | 0 | 0 | 114.7 | D76 L77 A93 F96 K98 A470 | D76-F474 HydrophobicContact CB-CE1 4.39Å; L77-F474 HydrophobicContact CB-CE2 4.28Å; L77-F474 HydrophobicContact CB-CZ 4.06Å; L77-F474 HydrophobicContact CD2-CE2 4.19Å; A93-F474 HydrophobicContact CB-CD2 3.71Å; A93-F474 HydrophobicContact CB-CE2 3.66Å; F96-F474 HydrophobicContact CB-CB 3.71Å; F96-F474 HydrophobicContact CD2-CB 3.96Å; F96-F474 HydrophobicContact CG-CB 3.87Å; K98-F474 HydrophobicContact CD-CD1 3.67Å; K98-F474 HydrophobicContact CD-CE1 3.94Å; K98-F474 HydrophobicContact CD-CG 4.22Å; K98-F474 HydrophobicContact CG-CB 4.15Å; K98-F474 HydrophobicContact CG-CD1 3.63Å; K98-F474 HydrophobicContact CG-CD2 4.12Å; K98-F474 HydrophobicContact CG-CE1 3.92Å; K98-F474 HydrophobicContact CG-CE2 4.43Å; K98-F474 HydrophobicContact CG-CG 3.71Å; K98-F474 HydrophobicContact CG-CZ 4.33Å; A470-F474 WeakPolarHBondContact O-CD2 3.44Å; A470-F474 PolarHBondContact O-N 3.26Å |
| 475 | G | 91.6 | Very high | 93.5 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -122.3 | 10.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F96 R471 S477 | F96-G475 VanDerWaalsContact CE1-CA 3.4Å; R471-G475 CarbonylContact O-C 3.57Å; R471-G475 WeakPolarHBondContact O-CA 3.2Å; R471-G475 PolarHBondContact O-N 3.09Å; G475-S477 PolarHBondContact O-N 2.9Å; G475-S477 VanDerWaalsContact O-N 3.09Å |
| 476 | A | 86.6 | Confident | 93.4 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 69% | 0.686 | 26% | 0.264 | S | S | * | . | trans | 54.4 | 25.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R471 | R471-A476 PolarHBondContact O-N 2.78Å; R471-A476 VanDerWaalsContact O-N 3.11Å | ||
| 477 | S | 88.8 | Confident | 93.3 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 16% | 0.161 | 28% | 0.276 | C | S | . | . | trans | -67.1 | 129 | 177.1 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | R471 R472 G475 | R471-S477 PolarHBondContact O-N 2.83Å; R472-S477 WeakPolarHBondContact CG-O 3.48Å; G475-S477 PolarHBondContact O-N 2.9Å; G475-S477 VanDerWaalsContact O-N 3.09Å | ||
| 478 | P | 84.7 | Confident | 93.3 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | trans | -80.9 | -13 | -179.6 | 32.6 | -36 | 0 | 0 | 0 | 113.8 | ||||
| 479 | Y | 90.2 | Very high | 93.3 | Very high | 164 Ų | 164 | 50.4 Ų | 50.4 | 64% | 0.643 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 123 | -168.6 | -58.6 | -72.1 | 0 | 0 | 0 | 113.8 | M468 R472 | M468-Y479 WeakPolarHBondContact CE-O 3.28Å; R472-Y479 VanDerWaalsContact NH1-C 3.26Å; R472-Y479 PolarHBondContact NH1-O 3.47Å |
| 480 | L | 92.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 156.3 | 171.5 | -60.4 | 172.1 | 0 | 0 | 0 | 112 | N436 M468 | N436-L480 HydrophobicContact CB-CD2 3.56Å; M468-L480 WeakPolarHBondContact CE-O 3.27Å |
| 481 | C | 93.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 131.8 | 170.3 | -169.3 | 0 | 0 | 0 | 0 | 109.1 | E437 A465 M468 Y483 | E437-C481 WeakPolarHBondContact OE1-CB 3.29Å; A465-C481 HydrophobicContact CB-CB 4.12Å; M468-C481 HydrophobicContact SD-CB 4.22Å; C481-Y483 HydrophobicContact CB-CD2 4.48Å; C481-Y483 HydrophobicContact CB-CE2 3.75Å; C481-Y483 VanDerWaalsContact O-CD2 3.28Å; C481-Y483 WeakPolarHBondContact O-CD2 3.46Å; C481-Y483 WeakPolarHBondContact O-CE2 3.24Å |
| 482 | D | 91.3 | Very high | 93.4 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 46% | 0.46 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 128.8 | 173.6 | -169.6 | -0.2 | 0 | 0 | 0 | 109.6 | Q484 | D482-Q484 WeakPolarHBondContact OD1-CB 3.3Å; D482-Q484 PolarHBondContact OD1-N 2.93Å |
| 483 | Y | 92.2 | Very high | 93.6 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | trans | -109.4 | 6.1 | 179.2 | -65 | -90.3 | 0 | 0 | 0 | 111.9 | E437 L452 L456 V461 A465 C481 | E437-Y483 PolarHBondContact OE1-OH 3.23Å; L452-Y483 HydrophobicContact CD2-CE1 4.5Å; L456-Y483 WeakPolarHBondContact CD1-O 3.5Å; L456-Y483 HydrophobicContact CG-CD1 4.48Å; V461-Y483 HydrophobicContact CG1-CD1 3.61Å; V461-Y483 HydrophobicContact CG1-CE1 3.45Å; V461-Y483 VanDerWaalsContact CG1-CE1 3.45Å; A465-Y483 WeakPolarHBondContact CB-OH 3.5Å; C481-Y483 HydrophobicContact CB-CD2 4.48Å; C481-Y483 HydrophobicContact CB-CE2 3.75Å; C481-Y483 VanDerWaalsContact O-CD2 3.28Å; C481-Y483 WeakPolarHBondContact O-CD2 3.46Å; C481-Y483 WeakPolarHBondContact O-CE2 3.24Å | ||
| 484 | Q | 90.7 | Very high | 93.7 | Very high | 140 Ų | 140 | 47.2 Ų | 47.2 | 65% | 0.654 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -97.7 | 155.2 | 175.3 | -57.8 | -172.9 | 0.2 | 0 | 0 | 110.9 | D482 V486 | D482-Q484 WeakPolarHBondContact OD1-CB 3.3Å; D482-Q484 PolarHBondContact OD1-N 2.93Å; Q484-V486 PolarHBondContact O-N 3.27Å; Q484-V486 VanDerWaalsContact O-N 3.13Å |
| 485 | N | 92.7 | Very high | 93.9 | Very high | 49 Ų | 49 | 46.6 Ų | 46.6 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 47.7 | 44.8 | 176 | -59.9 | -20.6 | 0 | 0 | 0 | 113.2 | P487 C499 L591 | N485-P487 WeakPolarHBondContact O-CD 3.36Å; N485-C499 VanDerWaalsContact C-SG 3.55Å; N485-C499 PolarHBondContact O-SG 2.92Å; N485-L591 HydrophobicContact CB-CB 4.41Å |
| 486 | V | 96 | Very high | 94.3 | Very high | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | trans | -84.6 | 119 | 179.3 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | L456 L458 V461 Q484 T488 | L456-V486 HydrophobicContact CD1-CB 3.75Å; L456-V486 HydrophobicContact CD1-CG1 4.23Å; L456-V486 HydrophobicContact CD1-CG2 3.51Å; L458-V486 HydrophobicContact CD1-CG1 3.73Å; V461-V486 HydrophobicContact CG2-CB 4.43Å; V461-V486 HydrophobicContact CG2-CG1 3.54Å; V461-V486 HydrophobicContact CG2-CG2 4.14Å; Q484-V486 PolarHBondContact O-N 3.27Å; Q484-V486 VanDerWaalsContact O-N 3.13Å; V486-T488 PolarHBondContact O-N 3.49Å; V486-T488 PolarHBondContact O-OG1 2.86Å; V486-T488 VanDerWaalsContact O-OG1 3.13Å | ||
| 487 | P | 97.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 41.1 Ų | 41.1 | 26% | 0.26 | 21% | 0.211 | S | C | . | . | trans | -56.4 | 129.1 | 173.3 | -27.5 | 38.2 | 0 | 0 | 0 | 111.5 | N485 T584 | N485-P487 WeakPolarHBondContact O-CD 3.36Å; P487-T584 HydrophobicContact CB-CG2 4.08Å | ||
| 488 | T | 97.8 | Very high | 95.3 | Very high | 26 Ų | 26 | 40.6 Ų | 40.6 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 139.9 | -175.3 | -57.4 | 0 | 0 | 0 | 0 | 110.3 | F312 L458 V486 S498 | F312-T488 HydrophobicContact CE1-CG2 4.08Å; F312-T488 HydrophobicContact CZ-CG2 4.44Å; L458-T488 HydrophobicContact CD1-CG2 4.4Å; L458-T488 WeakPolarHBondContact CD1-OG1 3.41Å; L458-T488 HydrophobicContact CD2-CG2 4.1Å; V486-T488 PolarHBondContact O-N 3.49Å; V486-T488 PolarHBondContact O-OG1 2.86Å; V486-T488 VanDerWaalsContact O-OG1 3.13Å; T488-S498 PolarHBondContact N-O 2.78Å; T488-S498 PolarHBondContact O-N 3.11Å; T488-S498 PolarHBondContact O-OG 2.91Å |
| 489 | T | 98.2 | Very high | 95.9 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 20% | 0.202 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.7 | 180 | -48.5 | 0 | 0 | 0 | 0 | 111.2 | F491 Y496 G581 | T489-F491 HydrophobicContact CG2-CD2 4.27Å; T489-F491 HydrophobicContact CG2-CE1 4.12Å; T489-F491 HydrophobicContact CG2-CE2 3.85Å; T489-F491 HydrophobicContact CG2-CZ 3.76Å; T489-Y496 CarbonylContact C-O 3.58Å; T489-Y496 VanDerWaalsContact CA-O 3.22Å; T489-Y496 WeakPolarHBondContact CA-O 3.31Å; T489-Y496 WeakPolarHBondContact CG2-O 3.45Å; T489-G581 VanDerWaalsContact OG1-CA 3.28Å; T489-G581 WeakPolarHBondContact OG1-CA 3.43Å |
| 490 | V | 98.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.012 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122 | 170.3 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | E288 L309 F312 T492 Y496 | E288-V490 HydrophobicContact CG-CG1 4.05Å; L309-V490 HydrophobicContact CD2-CG1 4.21Å; F312-V490 HydrophobicContact CD1-CG2 4.36Å; F312-V490 HydrophobicContact CE1-CG2 3.69Å; F312-V490 HydrophobicContact CZ-CG2 3.79Å; V490-T492 VanDerWaalsContact C-N 3.34Å; V490-T492 HydrophobicContact CG1-CG2 4.1Å; V490-T492 PolarHBondContact O-N 3.42Å; V490-Y496 HydrophobicContact CB-CD1 4.39Å; V490-Y496 HydrophobicContact CG2-CD1 4.18Å; V490-Y496 PolarHBondContact N-O 2.96Å; V490-Y496 PolarHBondContact O-N 3.32Å |
| 491 | F | 98 | Very high | 96.3 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 13% | 0.127 | 17% | 0.169 | C | C | . | . | trans | -95.4 | 59.5 | -174.4 | -60.8 | -97.7 | 0 | 0 | 0 | 111.2 | K135 K136 H139 E288 T489 E495 | K135-F491 VanDerWaalsContact NZ-CB 3.31Å; K136-F491 HydrophobicContact CD-CE2 4.45Å; K136-F491 HydrophobicContact CD-CZ 4.26Å; K136-F491 VanDerWaalsContact CE-CE2 3.42Å; K136-F491 VanDerWaalsContact CE-CZ 3.45Å; H139-F491 AromaticContact CD2-CD1 3.87Å; E288-F491 HydrophobicContact CG-CB 4.38Å; E288-F491 WeakPolarHBondContact OE1-CB 3.39Å; E288-F491 WeakPolarHBondContact OE1-CD2 3.48Å; E288-F491 PolarHBondContact OE1-N 2.79Å; T489-F491 HydrophobicContact CG2-CD2 4.27Å; T489-F491 HydrophobicContact CG2-CE1 4.12Å; T489-F491 HydrophobicContact CG2-CE2 3.85Å; T489-F491 HydrophobicContact CG2-CZ 3.76Å; F491-E495 HydrophobicContact CD1-CG 4.42Å | ||
| 492 | T | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -71.2 | 169.4 | 163 | 38.4 | 0 | 0 | 0 | 0 | 110.3 | H139 L287 I320 M324 V490 L494 | H139-T492 PolarHBondContact CE1-O 2.88Å; H139-T492 VanDerWaalsContact CE1-O 3.29Å; L287-T492 HydrophobicContact CB-CG2 3.64Å; I320-T492 HydrophobicContact CG2-CG2 3.71Å; M324-T492 HydrophobicContact SD-CG2 3.65Å; V490-T492 VanDerWaalsContact C-N 3.34Å; V490-T492 HydrophobicContact CG1-CG2 4.1Å; V490-T492 PolarHBondContact O-N 3.42Å; T492-L494 CarbonylContact C-O 3.49Å; T492-L494 WeakPolarHBondContact CB-O 3.46Å; T492-L494 CarbonylContact O-C 3.43Å; T492-L494 VanDerWaalsContact O-C 3.27Å; T492-L494 PolarHBondContact O-N 3.03Å; T492-L494 VanDerWaalsContact O-N 3.11Å; T492-L494 PolarHBondContact OG1-O 2.78Å |
| 493 | P | 96.5 | Very high | 96.6 | Very high | 30 Ų | 30 | 28 Ų | 28 | 20% | 0.195 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -52.6 | -36.2 | -177.4 | -30.1 | 38.7 | 0 | 0 | 0 | 114 | G291 M324 A328 | G291-P493 VanDerWaalsContact CA-CG 3.47Å; M324-P493 HydrophobicContact CG-CG 4.45Å; A328-P493 HydrophobicContact CB-CB 4.3Å; A328-P493 HydrophobicContact CB-CG 4.12Å |
| 494 | L | 97.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -103.2 | 123.8 | 157.1 | -170.3 | 59.7 | 0 | 0 | 0 | 108.1 | H323 T492 H555 L576 | H323-L494 VanDerWaalsContact CE1-CB 3.43Å; H323-L494 WeakPolarHBondContact CE1-CB 3.42Å; H323-L494 PolarHBondContact CE1-N 3.24Å; T492-L494 CarbonylContact C-O 3.49Å; T492-L494 WeakPolarHBondContact CB-O 3.46Å; T492-L494 CarbonylContact O-C 3.43Å; T492-L494 VanDerWaalsContact O-C 3.27Å; T492-L494 PolarHBondContact O-N 3.03Å; T492-L494 VanDerWaalsContact O-N 3.11Å; T492-L494 PolarHBondContact OG1-O 2.78Å; L494-H555 HydrophobicContact CD2-CB 3.82Å; L494-L576 HydrophobicContact CB-CD1 4.04Å; L494-L576 HydrophobicContact CD2-CD1 4Å; L494-L576 HydrophobicContact CD2-CD2 4.05Å; L494-L576 HydrophobicContact CD2-CG 3.56Å; L494-L576 HydrophobicContact CG-CD1 3.68Å; L494-L576 HydrophobicContact CG-CG 3.76Å |
| 495 | E | 98.5 | Very high | 96.6 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 141.6 | -169.9 | -56.7 | -175.3 | 171.3 | 0 | 0 | 111.4 | H139 F491 L576 S577 A580 | H139-E495 IonicContact CD2-OE1 3.7Å; H139-E495 IonicContact CE1-OE1 3.88Å; H139-E495 IonicContact NE2-OE1 2.77Å; H139-E495 PolarHBondContact NE2-OE1 2.76Å; F491-E495 HydrophobicContact CD1-CG 4.42Å; E495-L576 WeakPolarHBondContact O-CA 3.44Å; E495-L576 WeakPolarHBondContact O-CD1 3.31Å; E495-S577 WeakPolarHBondContact CB-O 3.43Å; E495-S577 PolarHBondContact N-O 2.88Å; E495-S577 PolarHBondContact O-N 2.99Å; E495-A580 HydrophobicContact CB-CB 3.68Å; E495-A580 VanDerWaalsContact O-CB 3.25Å; E495-A580 WeakPolarHBondContact O-CB 3.45Å; E495-A580 PolarHBondContact OE2-N 3.09Å |
| 496 | Y | 98.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.8 | 177.4 | 168 | -139.9 | 0 | 0 | 0 | 111 | L309 F312 M316 I320 T489 V490 S498 H574 V575 | L309-Y496 HydrophobicContact CD1-CD1 4.26Å; F312-Y496 HydrophobicContact CB-CE1 4.09Å; F312-Y496 HydrophobicContact CD1-CD1 4.35Å; F312-Y496 AromaticContact CD1-CE1 3.6Å; F312-Y496 HydrophobicContact CD1-CE1 3.6Å; F312-Y496 HydrophobicContact CE1-CE1 4.44Å; F312-Y496 HydrophobicContact CG-CE1 4.2Å; M316-Y496 HydrophobicContact CB-CD2 4.2Å; M316-Y496 HydrophobicContact CB-CE1 4.08Å; M316-Y496 HydrophobicContact CB-CE2 3.78Å; M316-Y496 HydrophobicContact CE-CD2 3.7Å; M316-Y496 HydrophobicContact CE-CE2 3.75Å; M316-Y496 HydrophobicContact CG-CD2 4.39Å; M316-Y496 HydrophobicContact CG-CE2 3.7Å; I320-Y496 HydrophobicContact CD1-CD1 3.71Å; I320-Y496 HydrophobicContact CD1-CG 3.79Å; T489-Y496 CarbonylContact C-O 3.58Å; T489-Y496 VanDerWaalsContact CA-O 3.22Å; T489-Y496 WeakPolarHBondContact CA-O 3.31Å; T489-Y496 WeakPolarHBondContact CG2-O 3.45Å; V490-Y496 HydrophobicContact CB-CD1 4.39Å; V490-Y496 HydrophobicContact CG2-CD1 4.18Å; V490-Y496 PolarHBondContact N-O 2.96Å; V490-Y496 PolarHBondContact O-N 3.32Å; Y496-S498 WeakPolarHBondContact OH-CB 3.4Å; Y496-H574 HydrophobicContact CE2-CB 4.03Å; Y496-H574 AromaticContact CE2-ND1 3.86Å; Y496-H574 AromaticContact CZ-ND1 3.78Å; Y496-H574 PolarHBondContact OH-ND1 2.8Å; Y496-V575 CarbonylContact C-O 3.57Å; Y496-V575 WeakPolarHBondContact CA-O 3.49Å; Y496-V575 WeakPolarHBondContact CD2-O 3.37Å |
| 497 | G | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H574 V575 T584 | G497-H574 CarbonylContact O-C 3.55Å; G497-H574 WeakPolarHBondContact O-CA 3.33Å; G497-V575 PolarHBondContact N-O 3.08Å; G497-V575 PolarHBondContact O-N 2.82Å; G497-T584 WeakPolarHBondContact CA-OG1 3.39Å |
| 498 | S | 98.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 147.2 | 179.6 | 61.1 | 0 | 0 | 0 | 0 | 113.1 | T488 Y496 F573 T584 | T488-S498 PolarHBondContact N-O 2.78Å; T488-S498 PolarHBondContact O-N 3.11Å; T488-S498 PolarHBondContact O-OG 2.91Å; Y496-S498 WeakPolarHBondContact OH-CB 3.4Å; S498-F573 CarbonylContact C-O 3.56Å; S498-F573 VanDerWaalsContact CA-O 3.25Å; S498-F573 WeakPolarHBondContact CA-O 3.39Å; S498-T584 WeakPolarHBondContact O-CG2 3.37Å |
| 499 | C | 98.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 135.3 | 170.5 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | N485 G572 F573 T584 L591 | N485-C499 VanDerWaalsContact C-SG 3.55Å; N485-C499 PolarHBondContact O-SG 2.92Å; C499-G572 CarbonylContact O-C 3.24Å; C499-G572 WeakPolarHBondContact O-CA 3.48Å; C499-F573 HydrophobicContact CB-CB 4.4Å; C499-F573 PolarHBondContact N-O 2.9Å; C499-F573 PolarHBondContact O-N 3.23Å; C499-T584 HydrophobicContact CB-CG2 4.3Å; C499-L591 HydrophobicContact CB-CD2 3.93Å; C499-L591 WeakPolarHBondContact O-CD2 3.35Å |
| 500 | G | 96.1 | Very high | 94.2 | Very high | 30 Ų | 30 | 35.2 Ų | 35.2 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.3 | -148.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L571 | G500-L571 CarbonylContact C-O 3.59Å; G500-L571 WeakPolarHBondContact CA-O 3.48Å |
| 501 | L | 95.5 | Very high | 92.6 | Very high | 44 Ų | 44 | 35.1 Ų | 35.1 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | trans | -85.7 | 136.5 | -170.7 | -59.8 | -178.2 | 0 | 0 | 0 | 112.5 | A506 K509 Y510 I561 L571 G572 H574 | L501-A506 HydrophobicContact CB-CB 4.48Å; L501-A506 HydrophobicContact CD1-CB 4.46Å; L501-K509 HydrophobicContact CD1-CD 4.44Å; L501-Y510 HydrophobicContact CD1-CD2 4.46Å; L501-Y510 HydrophobicContact CD1-CE2 3.66Å; L501-I561 WeakPolarHBondContact O-CD1 3.43Å; L501-L571 HydrophobicContact CD1-CB 4.33Å; L501-L571 PolarHBondContact N-O 3.41Å; L501-G572 WeakPolarHBondContact O-CA 3.35Å; L501-H574 PolarHBondContact O-NE2 3.38Å | ||
| 502 | A | 95.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 10% | 0.099 | 19% | 0.194 | C | C | . | . | trans | -62.5 | 155.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D313 E504 K505 A506 | D313-A502 HydrophobicContact CB-CB 3.88Å; A502-E504 VanDerWaalsContact C-N 3.32Å; A502-E504 PolarHBondContact O-N 3.08Å; A502-K505 PolarHBondContact O-N 2.67Å; A502-K505 VanDerWaalsContact O-N 3.1Å; A502-A506 PolarHBondContact O-N 3.01Å | ||
| 503 | E | 94.8 | Very high | 88.4 | Confident | 30 Ų | 30 | 44.5 Ų | 44.5 | 14% | 0.14 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -41 | -179.7 | 179.9 | 173.5 | 176.4 | 0 | 0 | 112.3 | D313 K505 A506 I507 F533 V535 K559 I561 K621 | D313-E503 WeakPolarHBondContact OD2-CB 3.5Å; D313-E503 PolarHBondContact OD2-N 3.45Å; E503-K505 VanDerWaalsContact C-N 3.28Å; E503-K505 PolarHBondContact O-N 2.79Å; E503-A506 PolarHBondContact O-N 3.44Å; E503-I507 HydrophobicContact CG-CD1 4.09Å; E503-I507 VanDerWaalsContact O-CG1 3.31Å; E503-I507 WeakPolarHBondContact O-CG1 3.49Å; E503-I507 PolarHBondContact O-N 3.23Å; E503-F533 HydrophobicContact CG-CE2 4.46Å; E503-V535 HydrophobicContact CG-CG2 4.28Å; E503-K559 VanDerWaalsContact CB-NZ 3.3Å; E503-K559 WeakPolarHBondContact OE2-CE 3.37Å; E503-K559 IonicContact OE2-NZ 3.41Å; E503-K559 PolarHBondContact OE2-NZ 3.02Å; E503-I561 HydrophobicContact CB-CD1 3.97Å; E503-K621 IonicContact OE1-NZ 2.95Å; E503-K621 IonicContact OE2-NZ 3.12Å; E503-K621 PolarHBondContact OE2-NZ 2.76Å |
| 504 | E | 92.2 | Very high | 85.6 | Confident | 73 Ų | 73 | 48.9 Ų | 48.9 | 34% | 0.341 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.2 | -35.3 | 178.3 | -58.1 | 75.9 | -163.9 | 0 | 0 | 111.7 | Q314 A502 I507 E508 | Q314-E504 WeakPolarHBondContact CB-OE1 3.41Å; Q314-E504 PolarHBondContact N-OE1 3.41Å; Q314-E504 PolarHBondContact N-OE2 3.48Å; A502-E504 VanDerWaalsContact C-N 3.32Å; A502-E504 PolarHBondContact O-N 3.08Å; E504-I507 WeakPolarHBondContact O-CB 3.48Å; E504-I507 PolarHBondContact O-N 3.37Å; E504-E508 PolarHBondContact O-N 2.89Å |
| 505 | K | 91.3 | Very high | 82.3 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 47% | 0.474 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -76.4 | -32 | 176.4 | -69.8 | -60.4 | -176.9 | -176.1 | 0 | 112.7 | A502 E503 E508 K509 | A502-K505 PolarHBondContact O-N 2.67Å; A502-K505 VanDerWaalsContact O-N 3.1Å; E503-K505 VanDerWaalsContact C-N 3.28Å; E503-K505 PolarHBondContact O-N 2.79Å; K505-E508 WeakPolarHBondContact CD-OE2 3.45Å; K505-E508 IonicContact NZ-OE1 3.49Å; K505-E508 IonicContact NZ-OE2 2.69Å; K505-E508 PolarHBondContact NZ-OE2 2.9Å; K505-E508 PolarHBondContact O-N 3.18Å; K505-K509 WeakPolarHBondContact O-CB 3.37Å; K505-K509 PolarHBondContact O-N 2.71Å |
| 506 | A | 90.1 | Very high | 78.8 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111 | L501 A502 E503 K509 Y510 I561 | L501-A506 HydrophobicContact CB-CB 4.48Å; L501-A506 HydrophobicContact CD1-CB 4.46Å; A502-A506 PolarHBondContact O-N 3.01Å; E503-A506 PolarHBondContact O-N 3.44Å; A506-K509 PolarHBondContact O-N 2.92Å; A506-Y510 WeakPolarHBondContact O-CB 3.32Å; A506-Y510 WeakPolarHBondContact O-CD2 3.26Å; A506-Y510 PolarHBondContact O-N 2.86Å; A506-I561 HydrophobicContact CB-CG2 3.74Å |
| 507 | I | 89.6 | Confident | 75.4 | Confident | 37 Ų | 37 | 68.4 Ų | 68.4 | 19% | 0.19 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.3 | -47.8 | 173.2 | -73.6 | 163.6 | 0 | 0 | 0 | 111.4 | E503 E504 G511 K512 F533 | E503-I507 HydrophobicContact CG-CD1 4.09Å; E503-I507 VanDerWaalsContact O-CG1 3.31Å; E503-I507 WeakPolarHBondContact O-CG1 3.49Å; E503-I507 PolarHBondContact O-N 3.23Å; E504-I507 WeakPolarHBondContact O-CB 3.48Å; E504-I507 PolarHBondContact O-N 3.37Å; I507-G511 CarbonylContact O-C 3.49Å; I507-G511 WeakPolarHBondContact O-CA 3.27Å; I507-G511 PolarHBondContact O-N 2.72Å; I507-K512 HydrophobicContact CG2-CD 3.83Å; I507-K512 HydrophobicContact CG2-CG 3.82Å; I507-F533 HydrophobicContact CD1-CZ 4.23Å; I507-F533 HydrophobicContact CG1-CE1 3.76Å; I507-F533 HydrophobicContact CG1-CE2 4.5Å; I507-F533 HydrophobicContact CG1-CZ 3.39Å |
| 508 | E | 86.8 | Confident | 72 | Confident | 130 Ų | 130 | 79.1 Ų | 79.1 | 61% | 0.607 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.7 | -42.9 | 179.7 | -174.4 | -177.7 | 176.5 | 0 | 0 | 111.9 | E504 K505 | E504-E508 PolarHBondContact O-N 2.89Å; K505-E508 WeakPolarHBondContact CD-OE2 3.45Å; K505-E508 IonicContact NZ-OE1 3.49Å; K505-E508 IonicContact NZ-OE2 2.69Å; K505-E508 PolarHBondContact NZ-OE2 2.9Å; K505-E508 PolarHBondContact O-N 3.18Å |
| 509 | K | 84.8 | Confident | 68.6 | Low | 131 Ų | 131 | 82 Ų | 82 | 57% | 0.57 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -82.6 | -41.6 | -173 | -175.6 | 170.4 | -179.8 | 173.5 | 0 | 114.3 | L501 K505 A506 | L501-K509 HydrophobicContact CD1-CD 4.44Å; K505-K509 WeakPolarHBondContact O-CB 3.37Å; K505-K509 PolarHBondContact O-N 2.71Å; A506-K509 PolarHBondContact O-N 2.92Å |
| 510 | Y | 79.3 | Confident | 65.3 | Low | 47 Ų | 47 | 87.7 Ų | 87.7 | 18% | 0.184 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -100.6 | 3.6 | -176 | -60.5 | -84.3 | 0 | 0 | 0 | 112.6 | L501 A506 H532 L571 | L501-Y510 HydrophobicContact CD1-CD2 4.46Å; L501-Y510 HydrophobicContact CD1-CE2 3.66Å; A506-Y510 WeakPolarHBondContact O-CB 3.32Å; A506-Y510 WeakPolarHBondContact O-CD2 3.26Å; A506-Y510 PolarHBondContact O-N 2.86Å; Y510-H532 PolarHBondContact O-ND1 3.49Å; Y510-H532 VanDerWaalsContact O-ND1 3.12Å; Y510-L571 HydrophobicContact CD2-CD1 3.67Å; Y510-L571 HydrophobicContact CE1-CD1 4.35Å; Y510-L571 HydrophobicContact CE2-CD1 3.32Å; Y510-L571 HydrophobicContact CE2-CD2 4.15Å; Y510-L571 HydrophobicContact CE2-CG 4.3Å; Y510-L571 HydrophobicContact CG-CD1 4.32Å; Y510-L571 WeakPolarHBondContact OH-CD2 3.36Å |
| 511 | G | 65.9 | Low | 62.3 | Low | 1 Ų | 1 | 94.6 Ų | 94.6 | 1% | 0.01 | 47% | 0.473 | C | S | . | . | trans | 76.4 | 151.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I507 N514 | I507-G511 CarbonylContact O-C 3.49Å; I507-G511 WeakPolarHBondContact O-CA 3.27Å; I507-G511 PolarHBondContact O-N 2.72Å; G511-N514 VanDerWaalsContact CA-OD1 3.28Å; G511-N514 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 512 | K | 59.6 | Low | 59.6 | Low | 121 Ų | 121 | 98.5 Ų | 98.5 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -75.3 | -39.9 | 144.1 | -92 | 163.8 | 179.6 | 176.7 | 0 | 109.4 | I507 F531 | I507-K512 HydrophobicContact CG2-CD 3.83Å; I507-K512 HydrophobicContact CG2-CG 3.82Å; K512-F531 HydrophobicContact CG-CD1 4.44Å; K512-F531 HydrophobicContact CG-CE1 3.84Å |
| 513 | E | 47.8 | Very low | 56.8 | Low | 104 Ų | 104 | 104.1 Ų | 104.1 | 49% | 0.486 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -158 | 126 | 162 | -60.8 | -173.9 | 179.4 | 0 | 0 | 103.9 | I515 | E513-I515 PolarHBondContact O-N 2.89Š|
| 514 | N | 38.9 | Very low | 54.1 | Low | 123 Ų | 123 | 107.6 Ų | 107.6 | 66% | 0.658 | 56% | 0.56 | S | S | * | * | trans | -85.2 | 97.9 | 174.1 | -84.2 | -8.6 | 0 | 0 | 0 | 109 | G511 | G511-N514 VanDerWaalsContact CA-OD1 3.28Å; G511-N514 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 515 | I | 27.5 | Very low | 51.9 | Low | 155 Ų | 155 | 110 Ų | 110 | 80% | 0.795 | 59% | 0.585 | S | S | * | * | trans | -74.8 | 112.6 | 173.6 | -63.1 | 171.4 | 0 | 0 | 0 | 109 | E513 | E513-I515 PolarHBondContact O-N 2.89Š| ||
| 516 | E | 25.8 | Very low | 49.5 | Very low | 155 Ų | 155 | 112.1 Ų | 112.1 | 72% | 0.724 | 60% | 0.601 | S | S | * | * | trans | -162.7 | 80.9 | 135.7 | -156.8 | 178.8 | -178.1 | 0 | 0 | 109.8 | R518 | E516-R518 HydrophobicContact CG-CG 4.34Š| ||
| 517 | V | 26.4 | Very low | 47.1 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 72% | 0.721 | 64% | 0.636 | S | S | * | * | trans | -95.9 | 98.3 | 157.3 | -179.6 | 0 | 0 | 0 | 0 | 106.4 | G519 | V517-G519 PolarHBondContact O-N 3.42Š| ||
| 518 | R | 26.2 | Very low | 44.8 | Very low | 225 Ų | 225 | 121.8 Ų | 121.8 | 85% | 0.849 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 108.7 | 161.9 | -70.1 | 178.7 | 89 | -175.1 | 7.4 | 107.1 | E516 | E516-R518 HydrophobicContact CG-CG 4.34Š|
| 519 | G | 27.9 | Very low | 42.8 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 108.6 | 19.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | V517 | V517-G519 PolarHBondContact O-N 3.42Š|
| 520 | V | 29.7 | Very low | 41.2 | Very low | 120 Ų | 120 | 122.2 Ų | 122.2 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -134.2 | 128.3 | 165.3 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 521 | Q | 33 | Very low | 40.1 | Very low | 175 Ų | 175 | 123.3 Ų | 123.3 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -54.6 | 146 | -175.5 | -139 | 157.4 | -3.1 | 0 | 0 | 112.7 | V523 | Q521-V523 PolarHBondContact O-N 3.07Š| ||
| 522 | P | 38.9 | Very low | 40.7 | Very low | 127 Ų | 127 | 127 Ų | 127 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | trans | -69.4 | 120.6 | -170.1 | 26.6 | -33 | 0 | 0 | 0 | 112 | ||||
| 523 | V | 35.9 | Very low | 41.8 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 79% | 0.788 | 66% | 0.659 | S | S | * | * | trans | -89.2 | 113.4 | 170.5 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | Q521 | Q521-V523 PolarHBondContact O-N 3.07Š| ||
| 524 | C | 37.8 | Very low | 43.8 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 69% | 0.689 | 65% | 0.652 | S | S | * | * | trans | 57.7 | 112.6 | 155.3 | -56 | 0 | 0 | 0 | 0 | 119.2 | N526 | C524-N526 PolarHBondContact O-N 2.92Š| ||
| 525 | S | 46.5 | Very low | 46.5 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 86% | 0.86 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 15.6 | -179.2 | 53 | 0 | 0 | 0 | 0 | 117.2 | ||
| 526 | N | 41 | Very low | 49.8 | Very low | 155 Ų | 155 | 108.3 Ų | 108.3 | 83% | 0.829 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.3 | 17.7 | -176.2 | -83.1 | -2.6 | 0 | 0 | 0 | 114.9 | C524 | C524-N526 PolarHBondContact O-N 2.92Š|
| 527 | M | 40.1 | Very low | 53.2 | Low | 146 Ų | 146 | 101.7 Ų | 101.7 | 72% | 0.719 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -77.1 | 130.7 | 168.9 | -97.8 | -81.7 | -84.5 | 0 | 0 | 110.6 | K529 | M527-K529 PolarHBondContact O-N 3.47Š|
| 528 | P | 41.4 | Very low | 56.5 | Low | 94 Ų | 94 | 96.8 Ų | 96.8 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | trans | -64.2 | 125.3 | 175.8 | 22.5 | -28.6 | 0 | 0 | 0 | 110.3 | L530 | P528-L530 PolarHBondContact O-N 3.38Š| ||
| 529 | K | 45.1 | Very low | 59.8 | Low | 167 Ų | 167 | 88.5 Ų | 88.5 | 73% | 0.726 | 50% | 0.5 | S | S | * | . | trans | -47.2 | 108.8 | 177.5 | -67.4 | 174.2 | -178.9 | 171.3 | 0 | 110.6 | M527 F531 | M527-K529 PolarHBondContact O-N 3.47Å; K529-F531 PolarHBondContact O-N 3.41Å; K529-F531 VanDerWaalsContact O-N 3.16Å | ||
| 530 | L | 49.9 | Very low | 63 | Low | 103 Ų | 103 | 84.9 Ų | 84.9 | 54% | 0.539 | 46% | 0.463 | S | S | . | . | trans | -86.8 | 90.3 | -171 | -139 | 83.5 | 0 | 0 | 0 | 110.4 | P528 H532 | P528-L530 PolarHBondContact O-N 3.38Å; L530-H532 PolarHBondContact O-N 2.99Å | ||
| 531 | F | 57.7 | Low | 66.1 | Low | 70 Ų | 70 | 80.4 Ų | 80.4 | 31% | 0.307 | 44% | 0.436 | S | S | . | . | trans | -63.5 | 121.5 | 171 | -69.5 | -90.4 | 0 | 0 | 0 | 110.2 | K512 K529 F533 K564 | K512-F531 HydrophobicContact CG-CD1 4.44Å; K512-F531 HydrophobicContact CG-CE1 3.84Å; K529-F531 PolarHBondContact O-N 3.41Å; K529-F531 VanDerWaalsContact O-N 3.16Å; F531-F533 AromaticContact CD1-CE1 3.76Å; F531-F533 HydrophobicContact CD1-CE1 3.76Å; F531-F533 AromaticContact CD1-CZ 3.79Å; F531-F533 HydrophobicContact CD1-CZ 3.79Å; F531-F533 HydrophobicContact CE1-CZ 4.29Å; F531-F533 PolarHBondContact O-N 3.37Å; F531-F533 VanDerWaalsContact O-N 3.17Å; F531-K564 WeakPolarHBondContact O-CD 3.41Å; F531-K564 WeakPolarHBondContact O-CE 3.49Å; F531-K564 PolarHBondContact O-NZ 3.27Å | ||
| 532 | H | 77.2 | Confident | 69.1 | Low | 79 Ų | 79 | 72.1 Ų | 72.1 | 37% | 0.366 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -73.2 | 5.2 | 172.4 | -63.7 | 123.5 | 0 | 0 | 0 | 113.7 | Y510 L530 N563 K564 | Y510-H532 PolarHBondContact O-ND1 3.49Å; Y510-H532 VanDerWaalsContact O-ND1 3.12Å; L530-H532 PolarHBondContact O-N 2.99Å; H532-N563 PolarHBondContact O-OD1 3.12Å; H532-K564 WeakPolarHBondContact O-CB 3.33Å; H532-K564 PolarHBondContact O-N 2.86Å |
| 533 | F | 82.8 | Confident | 71.8 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 3% | 0.031 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 161.1 | 174.6 | 67.4 | -84.7 | 0 | 0 | 0 | 111.5 | E503 I507 F531 V535 I561 C562 K564 | E503-F533 HydrophobicContact CG-CE2 4.46Å; I507-F533 HydrophobicContact CD1-CZ 4.23Å; I507-F533 HydrophobicContact CG1-CE1 3.76Å; I507-F533 HydrophobicContact CG1-CE2 4.5Å; I507-F533 HydrophobicContact CG1-CZ 3.39Å; F531-F533 AromaticContact CD1-CE1 3.76Å; F531-F533 HydrophobicContact CD1-CE1 3.76Å; F531-F533 AromaticContact CD1-CZ 3.79Å; F531-F533 HydrophobicContact CD1-CZ 3.79Å; F531-F533 HydrophobicContact CE1-CZ 4.29Å; F531-F533 PolarHBondContact O-N 3.37Å; F531-F533 VanDerWaalsContact O-N 3.17Å; F533-V535 HydrophobicContact CD2-CG2 3.78Å; F533-V535 HydrophobicContact CE2-CG2 3.5Å; F533-I561 HydrophobicContact CD2-CG2 3.95Å; F533-C562 CarbonylContact C-O 3.59Å; F533-C562 WeakPolarHBondContact CA-O 3.37Å; F533-C562 WeakPolarHBondContact CB-O 3.43Å; F533-K564 WeakPolarHBondContact O-CE 3.39Å |
| 534 | K | 90.8 | Very high | 74.6 | Confident | 79 Ų | 79 | 68.3 Ų | 68.3 | 34% | 0.343 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 146.4 | 165 | -63.3 | -169.3 | 179.4 | 176.5 | 0 | 109.2 | F536 C562 K564 M568 T620 | K534-F536 HydrophobicContact CB-CD2 4.32Å; K534-F536 HydrophobicContact CB-CE2 3.81Å; K534-F536 HydrophobicContact CB-CZ 4.3Å; K534-F536 HydrophobicContact CD-CE2 4.29Å; K534-F536 HydrophobicContact CD-CZ 3.96Å; K534-C562 PolarHBondContact N-O 2.84Å; K534-C562 PolarHBondContact O-N 3.33Å; K534-K564 HydrophobicContact CG-CD 4.16Å; K534-K564 HydrophobicContact CG-CG 3.97Å; K534-M568 HydrophobicContact CB-CE 3.97Å; K534-M568 HydrophobicContact CD-CE 3.77Å; K534-M568 HydrophobicContact CG-CE 3.96Å; K534-T620 HydrophobicContact CB-CG2 4.47Å; K534-T620 HydrophobicContact CD-CG2 4.26Å |
| 535 | V | 95.2 | Very high | 77.3 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.036 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 109.2 | 170.5 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | E503 F533 K559 L560 I561 T620 K621 | E503-V535 HydrophobicContact CG-CG2 4.28Å; F533-V535 HydrophobicContact CD2-CG2 3.78Å; F533-V535 HydrophobicContact CE2-CG2 3.5Å; V535-K559 HydrophobicContact CG1-CD 4.17Å; V535-K559 HydrophobicContact CG1-CG 3.76Å; V535-L560 CarbonylContact C-O 3.59Å; V535-L560 VanDerWaalsContact CA-O 3.3Å; V535-L560 WeakPolarHBondContact CA-O 3.43Å; V535-I561 HydrophobicContact CG1-CG1 4.46Å; V535-I561 HydrophobicContact CG2-CG1 4.28Å; V535-T620 CarbonylContact O-C 3.56Å; V535-T620 WeakPolarHBondContact O-CA 3.29Å; V535-T620 WeakPolarHBondContact O-CB 3.06Å; V535-K621 HydrophobicContact CB-CB 4.24Å; V535-K621 HydrophobicContact CB-CD 4.12Å; V535-K621 HydrophobicContact CB-CG 4.11Å; V535-K621 HydrophobicContact CG1-CD 3.84Å; V535-K621 HydrophobicContact CG1-CG 4.02Å; V535-K621 PolarHBondContact O-N 3.39Å |
| 536 | F | 96.6 | Very high | 79.6 | Confident | 18 Ų | 18 | 61.7 Ų | 61.7 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 141.7 | 172.2 | -62.5 | -94.6 | 0 | 0 | 0 | 109.7 | K534 K559 L560 C562 M568 K597 L617 V619 T620 | K534-F536 HydrophobicContact CB-CD2 4.32Å; K534-F536 HydrophobicContact CB-CE2 3.81Å; K534-F536 HydrophobicContact CB-CZ 4.3Å; K534-F536 HydrophobicContact CD-CE2 4.29Å; K534-F536 HydrophobicContact CD-CZ 3.96Å; F536-K559 CarbonylContact O-C 3.6Å; F536-K559 VanDerWaalsContact O-CA 3.28Å; F536-K559 WeakPolarHBondContact O-CA 3.39Å; F536-L560 HydrophobicContact CB-CB 4.45Å; F536-L560 PolarHBondContact N-O 3.25Å; F536-L560 PolarHBondContact O-N 3.14Å; F536-C562 HydrophobicContact CD2-CB 4.48Å; F536-C562 HydrophobicContact CE2-CB 4.22Å; F536-M568 HydrophobicContact CE2-CE 3.38Å; F536-M568 HydrophobicContact CZ-CE 3.69Å; F536-K597 HydrophobicContact CD2-CD 4.03Å; F536-K597 HydrophobicContact CD2-CG 4.26Å; F536-K597 HydrophobicContact CE2-CB 4.46Å; F536-K597 HydrophobicContact CE2-CD 4.11Å; F536-K597 HydrophobicContact CE2-CG 3.81Å; F536-K597 HydrophobicContact CG-CD 4.32Å; F536-K597 HydrophobicContact CZ-CD 4.47Å; F536-K597 HydrophobicContact CZ-CG 3.98Å; F536-L617 HydrophobicContact CB-CB 3.99Å; F536-L617 HydrophobicContact CB-CD1 4.38Å; F536-L617 WeakPolarHBondContact CD1-O 3.29Å; F536-V619 VanDerWaalsContact CA-O 3.29Å; F536-V619 WeakPolarHBondContact CA-O 3.47Å; F536-T620 HydrophobicContact CD1-CG2 3.6Å; F536-T620 HydrophobicContact CE1-CG2 3.56Å; F536-T620 HydrophobicContact CG-CG2 4.18Å; F536-T620 HydrophobicContact CZ-CG2 4.1Å |
| 537 | H | 96.8 | Very high | 82.2 | Confident | 15 Ų | 15 | 57.6 Ų | 57.6 | 7% | 0.069 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 155.1 | -173.9 | 61.8 | 169.3 | 0 | 0 | 0 | 113.5 | Y557 A558 K559 V619 K621 | H537-Y557 HydrophobicContact CB-CE1 4.31Å; H537-Y557 HydrophobicContact CB-CE2 4.25Å; H537-Y557 VanDerWaalsContact CB-OH 3.29Å; H537-Y557 WeakPolarHBondContact CB-OH 3.43Å; H537-Y557 VanDerWaalsContact CG-OH 3.31Å; H537-Y557 AromaticContact ND1-CZ 3.83Å; H537-Y557 PolarHBondContact ND1-OH 3.37Å; H537-A558 CarbonylContact C-O 3.41Å; H537-A558 WeakPolarHBondContact CA-O 3.45Å; H537-A558 WeakPolarHBondContact CB-O 3.3Å; H537-K559 HydrophobicContact CB-CB 4.42Å; H537-V619 PolarHBondContact N-O 2.77Å; H537-V619 VanDerWaalsContact N-O 3.1Å; H537-K621 WeakPolarHBondContact CE1-CG 3.3Å; H537-K621 VanDerWaalsContact ND1-CG 3.35Å; H537-K621 WeakPolarHBondContact ND1-CG 3.16Å; H537-K621 PolarHBondContact NE2-N 3.02Å |
| 538 | A | 95.6 | Very high | 84.8 | Confident | 17 Ų | 17 | 51.5 Ų | 51.5 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 149.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y557 A558 I613 L617 | A538-Y557 WeakPolarHBondContact O-CA 3.34Å; A538-Y557 WeakPolarHBondContact O-CD2 3.24Å; A538-A558 PolarHBondContact N-O 3.21Å; A538-A558 PolarHBondContact O-N 3.24Å; A538-I613 HydrophobicContact CB-CD1 3.94Å; A538-I613 HydrophobicContact CB-CG1 4.19Å; A538-L617 HydrophobicContact CB-CD2 3.44Å; A538-L617 VanDerWaalsContact CB-CD2 3.44Å |
| 539 | F | 95.4 | Very high | 87.2 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 22% | 0.219 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 146.7 | 157.9 | -70.1 | -88.1 | 0 | 0 | 0 | 109.3 | D554 C556 Y557 L627 K629 G630 | F539-D554 WeakPolarHBondContact CE1-O 3.46Å; F539-C556 WeakPolarHBondContact CA-O 3.44Å; F539-Y557 AromaticContact CD1-CD2 3.85Å; F539-Y557 HydrophobicContact CD1-CD2 3.85Å; F539-Y557 HydrophobicContact CD2-CD2 4.18Å; F539-Y557 HydrophobicContact CD2-CE2 4.22Å; F539-Y557 HydrophobicContact CE1-CD2 4.06Å; F539-Y557 HydrophobicContact CE2-CD2 4.35Å; F539-Y557 HydrophobicContact CE2-CE2 4.21Å; F539-Y557 AromaticContact CG-CD2 3.95Å; F539-Y557 HydrophobicContact CG-CD2 3.95Å; F539-Y557 HydrophobicContact CG-CE2 4.44Å; F539-Y557 HydrophobicContact CZ-CD2 4.32Å; F539-Y557 HydrophobicContact CZ-CE2 4.45Å; F539-L627 HydrophobicContact CD2-CB 3.84Å; F539-L627 HydrophobicContact CD2-CD1 3.76Å; F539-L627 HydrophobicContact CD2-CG 4.44Å; F539-L627 HydrophobicContact CE2-CB 4.18Å; F539-L627 HydrophobicContact CE2-CD1 3.69Å; F539-K629 HydrophobicContact CB-CG 4.31Å; F539-G630 PolarHBondContact O-N 3.45Å |
| 540 | F | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 164.1 | 178.6 | 66.3 | -85.7 | 0 | 0 | 0 | 111.4 | P542 C556 A558 V575 C610 I613 G630 | F540-P542 HydrophobicContact CD2-CG 4.42Å; F540-P542 HydrophobicContact CE2-CG 4.09Å; F540-C556 HydrophobicContact CD1-CB 4.47Å; F540-C556 HydrophobicContact CD2-CB 4.37Å; F540-C556 HydrophobicContact CE1-CB 4.31Å; F540-C556 HydrophobicContact CE2-CB 4.2Å; F540-C556 HydrophobicContact CZ-CB 4.2Å; F540-C556 PolarHBondContact N-O 2.96Å; F540-C556 VanDerWaalsContact O-CB 3.22Å; F540-C556 WeakPolarHBondContact O-CB 3.38Å; F540-A558 HydrophobicContact CD1-CB 4.33Å; F540-A558 HydrophobicContact CE1-CB 4.05Å; F540-V575 HydrophobicContact CE1-CG2 4.47Å; F540-V575 HydrophobicContact CZ-CG2 4.29Å; F540-C610 HydrophobicContact CE2-CB 3.89Å; F540-C610 HydrophobicContact CZ-CB 4.39Å; F540-I613 HydrophobicContact CB-CD1 3.89Å; F540-I613 HydrophobicContact CB-CG1 4.01Å; F540-I613 HydrophobicContact CD1-CB 4.28Å; F540-I613 HydrophobicContact CD1-CG1 3.9Å; F540-I613 HydrophobicContact CD1-CG2 4.17Å; F540-I613 HydrophobicContact CE1-CG2 4.13Å; F540-I613 HydrophobicContact CG-CB 4.32Å; F540-I613 HydrophobicContact CG-CG1 4.11Å; F540-G630 CarbonylContact C-O 3.57Å; F540-G630 WeakPolarHBondContact CA-O 3.46Å |
| 541 | T | 95.7 | Very high | 91.4 | Very high | 26 Ų | 26 | 47.9 Ų | 47.9 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 111.4 | 177.8 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | L543 T546 K629 G630 C632 | T541-L543 PolarHBondContact O-N 2.85Å; T541-T546 HydrophobicContact CG2-CG2 3.88Å; T541-K629 WeakPolarHBondContact OG1-CE 3.5Å; T541-G630 PolarHBondContact N-O 3.47Å; T541-G630 VanDerWaalsContact N-O 3.09Å; T541-C632 PolarHBondContact O-SG 3.17Å |
| 542 | P | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -53 | 137 | 169.1 | -25.6 | 34.3 | 0 | 0 | 0 | 111.4 | F540 E544 F545 C556 P578 | F540-P542 HydrophobicContact CD2-CG 4.42Å; F540-P542 HydrophobicContact CE2-CG 4.09Å; P542-E544 VanDerWaalsContact C-N 3.28Å; P542-E544 HydrophobicContact CB-CG 4.25Å; P542-E544 WeakPolarHBondContact CB-OE2 3.45Å; P542-E544 PolarHBondContact O-N 3.17Å; P542-F545 HydrophobicContact CB-CB 4.34Å; P542-F545 HydrophobicContact CB-CD2 4.05Å; P542-F545 HydrophobicContact CB-CG 4.06Å; P542-F545 HydrophobicContact CG-CD2 3.79Å; P542-F545 HydrophobicContact CG-CE2 4.12Å; P542-F545 HydrophobicContact CG-CG 4.33Å; P542-F545 WeakPolarHBondContact O-CB 3.38Å; P542-F545 PolarHBondContact O-N 2.83Å; P542-C556 HydrophobicContact CG-CB 4.33Å; P542-P578 HydrophobicContact CB-CG 4.17Å; P542-P578 HydrophobicContact CG-CG 3.94Å | ||
| 543 | L | 95.5 | Very high | 93.9 | Very high | 97 Ų | 97 | 42 Ų | 42 | 51% | 0.508 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -59.4 | -43 | -176.5 | 175.6 | 67 | 0 | 0 | 0 | 110.9 | T541 F545 T546 P608 | T541-L543 PolarHBondContact O-N 2.85Å; L543-F545 PolarHBondContact O-N 3.4Å; L543-T546 HydrophobicContact CD1-CG2 4.49Å; L543-T546 WeakPolarHBondContact O-CB 3.34Å; L543-T546 WeakPolarHBondContact O-CG2 3.48Å; L543-T546 PolarHBondContact O-N 2.54Å; L543-T546 PolarHBondContact O-OG1 2.79Å; L543-P608 HydrophobicContact CB-CB 4.41Å; L543-P608 HydrophobicContact CB-CG 4.27Å; L543-P608 HydrophobicContact CD2-CB 4.43Å; L543-P608 HydrophobicContact CD2-CG 3.44Å; L543-P608 VanDerWaalsContact CD2-CG 3.44Å; L543-P608 HydrophobicContact CG-CG 4.3Å |
| 544 | E | 93.6 | Very high | 94.3 | Very high | 80 Ų | 80 | 45.8 Ų | 45.8 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -59.7 | -18.6 | -179.9 | 64.2 | -89.2 | -150.7 | 0 | 0 | 113.1 | P542 P548 | P542-E544 VanDerWaalsContact C-N 3.28Å; P542-E544 HydrophobicContact CB-CG 4.25Å; P542-E544 WeakPolarHBondContact CB-OE2 3.45Å; P542-E544 PolarHBondContact O-N 3.17Å; E544-P548 WeakPolarHBondContact O-CD 3.45Å; E544-P548 WeakPolarHBondContact O-CG 3.33Å |
| 545 | F | 95.2 | Very high | 94.6 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -90 | -12.2 | 179.2 | -73.3 | 3.4 | 0 | 0 | 0 | 113.5 | P542 L543 K549 R550 D552 P578 | P542-F545 HydrophobicContact CB-CB 4.34Å; P542-F545 HydrophobicContact CB-CD2 4.05Å; P542-F545 HydrophobicContact CB-CG 4.06Å; P542-F545 HydrophobicContact CG-CD2 3.79Å; P542-F545 HydrophobicContact CG-CE2 4.12Å; P542-F545 HydrophobicContact CG-CG 4.33Å; P542-F545 WeakPolarHBondContact O-CB 3.38Å; P542-F545 PolarHBondContact O-N 2.83Å; L543-F545 PolarHBondContact O-N 3.4Å; F545-K549 WeakPolarHBondContact O-CA 3.41Å; F545-K549 PolarHBondContact O-N 3.47Å; F545-K549 VanDerWaalsContact O-N 3.09Å; F545-R550 HydrophobicContact CB-CB 3.85Å; F545-R550 HydrophobicContact CD1-CB 4.15Å; F545-R550 HydrophobicContact CD1-CG 4.25Å; F545-R550 HydrophobicContact CD2-CB 4.09Å; F545-R550 HydrophobicContact CG-CB 3.78Å; F545-R550 HydrophobicContact CG-CG 4.37Å; F545-R550 PolarHBondContact O-N 2.92Å; F545-D552 HydrophobicContact CD2-CB 4.12Å; F545-D552 HydrophobicContact CE2-CB 3.61Å; F545-D552 HydrophobicContact CZ-CB 4.25Å; F545-P578 HydrophobicContact CE1-CG 3.86Å; F545-P578 HydrophobicContact CE2-CG 3.68Å; F545-P578 HydrophobicContact CZ-CB 4.47Å; F545-P578 HydrophobicContact CZ-CG 3.32Å |
| 546 | T | 94.9 | Very high | 94.7 | Very high | 67 Ų | 67 | 43 Ų | 43 | 41% | 0.411 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -51.8 | -173.5 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | T541 L543 K549 | T541-T546 HydrophobicContact CG2-CG2 3.88Å; L543-T546 HydrophobicContact CD1-CG2 4.49Å; L543-T546 WeakPolarHBondContact O-CB 3.34Å; L543-T546 WeakPolarHBondContact O-CG2 3.48Å; L543-T546 PolarHBondContact O-N 2.54Å; L543-T546 PolarHBondContact O-OG1 2.79Å; T546-K549 WeakPolarHBondContact O-CG 3.25Å; T546-K549 PolarHBondContact O-N 3.1Å |
| 547 | V | 95.4 | Very high | 94.7 | Very high | 69 Ų | 69 | 42.2 Ų | 42.2 | 42% | 0.418 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -50.3 | 179.8 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | Q153 F154 K549 | Q153-V547 HydrophobicContact CB-CG1 4.36Å; F154-V547 HydrophobicContact CD1-CB 4.47Å; F154-V547 HydrophobicContact CD1-CG1 3.98Å; F154-V547 HydrophobicContact CE1-CB 3.68Å; F154-V547 HydrophobicContact CE1-CG1 3.69Å; F154-V547 HydrophobicContact CE1-CG2 3.9Å; F154-V547 HydrophobicContact CE2-CB 4.36Å; F154-V547 HydrophobicContact CE2-CG1 4.39Å; F154-V547 HydrophobicContact CG-CG1 4.46Å; F154-V547 HydrophobicContact CZ-CB 3.62Å; F154-V547 HydrophobicContact CZ-CG1 3.92Å; F154-V547 HydrophobicContact CZ-CG2 4.2Å; V547-K549 PolarHBondContact O-N 2.9Å |
| 548 | P | 93.5 | Very high | 94.8 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -4.8 | 175.4 | 30.3 | -35.7 | 0 | 0 | 0 | 113.3 | D150 F154 E544 R550 | D150-P548 HydrophobicContact CB-CB 3.87Å; D150-P548 HydrophobicContact CB-CG 4.29Å; F154-P548 HydrophobicContact CE2-CG 4.24Å; E544-P548 WeakPolarHBondContact O-CD 3.45Å; E544-P548 WeakPolarHBondContact O-CG 3.33Å; P548-R550 HydrophobicContact CB-CG 4.38Å; P548-R550 HydrophobicContact CG-CG 4.15Å; P548-R550 PolarHBondContact O-N 3.26Å |
| 549 | K | 92.7 | Very high | 94.9 | Very high | 172 Ų | 172 | 40.7 Ų | 40.7 | 75% | 0.748 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 49.1 | -178.6 | -58.7 | 177.9 | -177.7 | 177.2 | 0 | 112.2 | F545 T546 V547 V551 | F545-K549 WeakPolarHBondContact O-CA 3.41Å; F545-K549 PolarHBondContact O-N 3.47Å; F545-K549 VanDerWaalsContact O-N 3.09Å; T546-K549 WeakPolarHBondContact O-CG 3.25Å; T546-K549 PolarHBondContact O-N 3.1Å; V547-K549 PolarHBondContact O-N 2.9Å; K549-V551 PolarHBondContact O-N 2.96Å |
| 550 | R | 91.6 | Very high | 95 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 12% | 0.117 | 20% | 0.2 | C | C | . | . | trans | -67.7 | 120.8 | 179.7 | -79.1 | -164 | 169.3 | -144.4 | -6.6 | 111.6 | H146 D150 F545 P548 D552 S553 | H146-R550 VanDerWaalsContact CA-NH2 3.27Å; H146-R550 PolarHBondContact ND1-NH2 3.02Å; H146-R550 PolarHBondContact O-NH2 3.39Å; D150-R550 VanDerWaalsContact CG-NE 3.29Å; D150-R550 IonicContact OD1-CZ 3.61Å; D150-R550 IonicContact OD1-NE 2.8Å; D150-R550 PolarHBondContact OD1-NE 2.85Å; D150-R550 IonicContact OD1-NH2 2.83Å; D150-R550 PolarHBondContact OD1-NH2 3.49Å; D150-R550 IonicContact OD2-CZ 3.56Å; D150-R550 IonicContact OD2-NE 3.92Å; D150-R550 PolarHBondContact OD2-NE 3.49Å; D150-R550 IonicContact OD2-NH2 2.81Å; D150-R550 PolarHBondContact OD2-NH2 2.91Å; F545-R550 HydrophobicContact CB-CB 3.85Å; F545-R550 HydrophobicContact CD1-CB 4.15Å; F545-R550 HydrophobicContact CD1-CG 4.25Å; F545-R550 HydrophobicContact CD2-CB 4.09Å; F545-R550 HydrophobicContact CG-CB 3.78Å; F545-R550 HydrophobicContact CG-CG 4.37Å; F545-R550 PolarHBondContact O-N 2.92Å; P548-R550 HydrophobicContact CB-CG 4.38Å; P548-R550 HydrophobicContact CG-CG 4.15Å; P548-R550 PolarHBondContact O-N 3.26Å; R550-D552 HydrophobicContact CB-CB 4.31Å; R550-D552 PolarHBondContact O-N 2.94Å; R550-S553 WeakPolarHBondContact O-CB 3.29Å; R550-S553 PolarHBondContact O-N 3.27Å; R550-S553 PolarHBondContact O-OG 3.3Å | ||
| 551 | V | 92.3 | Very high | 95.1 | Very high | 85 Ų | 85 | 38.3 Ų | 38.3 | 52% | 0.515 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -65.3 | -18.5 | 172.6 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | V327 K549 S553 D554 | V327-V551 HydrophobicContact CB-CG2 4.39Å; V327-V551 HydrophobicContact CG1-CG2 3.69Å; V327-V551 HydrophobicContact CG2-CG2 3.97Å; K549-V551 PolarHBondContact O-N 2.96Å; V551-S553 PolarHBondContact O-N 3.31Å; V551-D554 WeakPolarHBondContact O-CB 3.45Å; V551-D554 PolarHBondContact O-N 3.04Å |
| 552 | D | 93.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 37.1 Ų | 37.1 | 9% | 0.086 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -50.2 | -31.3 | 169.2 | -57.3 | -101.4 | 0 | 0 | 0 | 112.8 | H323 F545 R550 D554 H555 | H323-D552 IonicContact CD2-OD1 2.66Å; H323-D552 IonicContact CE1-OD1 2.85Å; H323-D552 IonicContact NE2-OD1 3.9Å; H323-D552 PolarHBondContact NE2-OD1 3.21Å; F545-D552 HydrophobicContact CD2-CB 4.12Å; F545-D552 HydrophobicContact CE2-CB 3.61Å; F545-D552 HydrophobicContact CZ-CB 4.25Å; R550-D552 HydrophobicContact CB-CB 4.31Å; R550-D552 PolarHBondContact O-N 2.94Å; D552-D554 PolarHBondContact O-N 3.46Å; D552-H555 PolarHBondContact O-N 3.34Å |
| 553 | S | 93.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 37.6 Ų | 37.6 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -60.1 | -24.5 | 178.2 | 63.4 | 0 | 0 | 0 | 0 | 113.9 | R550 V551 H555 C556 K629 | R550-S553 WeakPolarHBondContact O-CB 3.29Å; R550-S553 PolarHBondContact O-N 3.27Å; R550-S553 PolarHBondContact O-OG 3.3Å; V551-S553 PolarHBondContact O-N 3.31Å; S553-H555 PolarHBondContact O-N 3Å; S553-C556 PolarHBondContact O-N 2.89Å; S553-K629 WeakPolarHBondContact O-CE 3.5Å; S553-K629 PolarHBondContact O-NZ 3.47Å; S553-K629 PolarHBondContact OG-NZ 3.44Å |
| 554 | D | 92.8 | Very high | 94.8 | Very high | 85 Ų | 85 | 37 Ų | 37 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -68.3 | -15.5 | 177.2 | -66 | -25.4 | 0 | 0 | 0 | 112.7 | F539 V551 D552 K629 | F539-D554 WeakPolarHBondContact CE1-O 3.46Å; V551-D554 WeakPolarHBondContact O-CB 3.45Å; V551-D554 PolarHBondContact O-N 3.04Å; D552-D554 PolarHBondContact O-N 3.46Å; D554-K629 IonicContact OD1-NZ 3.81Å; D554-K629 PolarHBondContact OD1-NZ 3.09Å |
| 555 | H | 95.2 | Very high | 94.6 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 13% | 0.13 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -108.5 | -6.9 | 179.8 | -59.2 | -80.7 | 0 | 0 | 0 | 113.2 | H323 L494 D552 S553 Y557 L576 | H323-H555 HydrophobicContact CB-CB 3.99Å; H323-H555 AromaticContact CD2-CD2 3.77Å; L494-H555 HydrophobicContact CD2-CB 3.82Å; D552-H555 PolarHBondContact O-N 3.34Å; S553-H555 PolarHBondContact O-N 3Å; H555-Y557 PolarHBondContact O-N 3.38Å; H555-L576 VanDerWaalsContact O-CD2 3.27Å; H555-L576 WeakPolarHBondContact O-CD2 3.25Å |
| 556 | C | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -66.8 | 125.3 | 177.4 | -70.1 | 0 | 0 | 0 | 0 | 110.4 | F539 F540 P542 S553 L576 | F539-C556 WeakPolarHBondContact CA-O 3.44Å; F540-C556 HydrophobicContact CD1-CB 4.47Å; F540-C556 HydrophobicContact CD2-CB 4.37Å; F540-C556 HydrophobicContact CE1-CB 4.31Å; F540-C556 HydrophobicContact CE2-CB 4.2Å; F540-C556 HydrophobicContact CZ-CB 4.2Å; F540-C556 PolarHBondContact N-O 2.96Å; F540-C556 VanDerWaalsContact O-CB 3.22Å; F540-C556 WeakPolarHBondContact O-CB 3.38Å; P542-C556 HydrophobicContact CG-CB 4.33Å; S553-C556 PolarHBondContact O-N 2.89Å; C556-L576 CarbonylContact C-O 3.49Å; C556-L576 VanDerWaalsContact CA-O 3.25Å; C556-L576 WeakPolarHBondContact CA-O 2.99Å | ||
| 557 | Y | 97.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 138.1 | -164.2 | -168.8 | -106.6 | 0 | 0 | 0 | 112.8 | M316 R319 H537 A538 F539 H555 K559 V575 L576 L627 | M316-Y557 HydrophobicContact CE-CD1 4.35Å; M316-Y557 HydrophobicContact SD-CD1 3.72Å; M316-Y557 HydrophobicContact SD-CE1 4.17Å; R319-Y557 VanDerWaalsContact CZ-CE2 3.48Å; R319-Y557 PolarHBondContact NH2-OH 2.84Å; H537-Y557 HydrophobicContact CB-CE1 4.31Å; H537-Y557 HydrophobicContact CB-CE2 4.25Å; H537-Y557 VanDerWaalsContact CB-OH 3.29Å; H537-Y557 WeakPolarHBondContact CB-OH 3.43Å; H537-Y557 VanDerWaalsContact CG-OH 3.31Å; H537-Y557 AromaticContact ND1-CZ 3.83Å; H537-Y557 PolarHBondContact ND1-OH 3.37Å; A538-Y557 WeakPolarHBondContact O-CA 3.34Å; A538-Y557 WeakPolarHBondContact O-CD2 3.24Å; F539-Y557 AromaticContact CD1-CD2 3.85Å; F539-Y557 HydrophobicContact CD1-CD2 3.85Å; F539-Y557 HydrophobicContact CD2-CD2 4.18Å; F539-Y557 HydrophobicContact CD2-CE2 4.22Å; F539-Y557 HydrophobicContact CE1-CD2 4.06Å; F539-Y557 HydrophobicContact CE2-CD2 4.35Å; F539-Y557 HydrophobicContact CE2-CE2 4.21Å; F539-Y557 AromaticContact CG-CD2 3.95Å; F539-Y557 HydrophobicContact CG-CD2 3.95Å; F539-Y557 HydrophobicContact CG-CE2 4.44Å; F539-Y557 HydrophobicContact CZ-CD2 4.32Å; F539-Y557 HydrophobicContact CZ-CE2 4.45Å; H555-Y557 PolarHBondContact O-N 3.38Å; Y557-K559 HydrophobicContact CD1-CB 4.46Å; Y557-K559 HydrophobicContact CE1-CB 3.99Å; Y557-V575 CarbonylContact O-C 3.18Å; Y557-V575 WeakPolarHBondContact O-CA 3.18Å; Y557-L576 PolarHBondContact N-O 2.97Å; Y557-L576 PolarHBondContact O-N 3.31Å; Y557-L627 HydrophobicContact CE2-CD1 4.06Å |
| 558 | A | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 144.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | H537 A538 F540 I613 F614 L617 | H537-A558 CarbonylContact C-O 3.41Å; H537-A558 WeakPolarHBondContact CA-O 3.45Å; H537-A558 WeakPolarHBondContact CB-O 3.3Å; A538-A558 PolarHBondContact N-O 3.21Å; A538-A558 PolarHBondContact O-N 3.24Å; F540-A558 HydrophobicContact CD1-CB 4.33Å; F540-A558 HydrophobicContact CE1-CB 4.05Å; A558-I613 HydrophobicContact CB-CB 4.5Å; A558-I613 HydrophobicContact CB-CG1 4.07Å; A558-I613 HydrophobicContact CB-CG2 3.55Å; A558-F614 HydrophobicContact CB-CE1 3.9Å; A558-F614 HydrophobicContact CB-CE2 4.03Å; A558-F614 HydrophobicContact CB-CZ 3.59Å; A558-L617 HydrophobicContact CB-CD2 4.42Å |
| 559 | K | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 132.8 | -177.3 | 171.6 | -172 | -175.4 | -178.7 | 0 | 112.1 | D313 E503 V535 F536 H537 Y557 H574 | D313-K559 IonicContact OD1-NZ 3.77Å; D313-K559 PolarHBondContact OD1-NZ 3.21Å; D313-K559 IonicContact OD2-NZ 3.53Å; D313-K559 PolarHBondContact OD2-NZ 3.07Å; E503-K559 VanDerWaalsContact CB-NZ 3.3Å; E503-K559 WeakPolarHBondContact OE2-CE 3.37Å; E503-K559 IonicContact OE2-NZ 3.41Å; E503-K559 PolarHBondContact OE2-NZ 3.02Å; V535-K559 HydrophobicContact CG1-CD 4.17Å; V535-K559 HydrophobicContact CG1-CG 3.76Å; F536-K559 CarbonylContact O-C 3.6Å; F536-K559 VanDerWaalsContact O-CA 3.28Å; F536-K559 WeakPolarHBondContact O-CA 3.39Å; H537-K559 HydrophobicContact CB-CB 4.42Å; Y557-K559 HydrophobicContact CD1-CB 4.46Å; Y557-K559 HydrophobicContact CE1-CB 3.99Å; K559-H574 HydrophobicContact CB-CB 4.15Å; K559-H574 HydrophobicContact CD-CB 4.43Å; K559-H574 PolarHBondContact N-O 3.04Å; K559-H574 PolarHBondContact O-N 3.43Å |
| 560 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.7 | 170 | -64.9 | 179.2 | 0 | 0 | 0 | 110.3 | V535 F536 V570 G572 F573 K597 F600 F614 L617 | V535-L560 CarbonylContact C-O 3.59Å; V535-L560 VanDerWaalsContact CA-O 3.3Å; V535-L560 WeakPolarHBondContact CA-O 3.43Å; F536-L560 HydrophobicContact CB-CB 4.45Å; F536-L560 PolarHBondContact N-O 3.25Å; F536-L560 PolarHBondContact O-N 3.14Å; L560-V570 HydrophobicContact CD2-CG1 4.08Å; L560-G572 WeakPolarHBondContact CA-O 3.33Å; L560-F573 HydrophobicContact CD2-CB 4.27Å; L560-F573 HydrophobicContact CD2-CD2 3.73Å; L560-F573 HydrophobicContact CD2-CG 4.44Å; L560-K597 HydrophobicContact CD1-CD 3.99Å; L560-F600 HydrophobicContact CD1-CD1 3.79Å; L560-F600 HydrophobicContact CD1-CE1 4.07Å; L560-F600 HydrophobicContact CD1-CG 4.16Å; L560-F600 HydrophobicContact CD2-CE1 3.99Å; L560-F600 HydrophobicContact CD2-CZ 4.31Å; L560-F614 HydrophobicContact CD1-CD1 4.13Å; L560-F614 HydrophobicContact CD2-CD1 3.75Å; L560-F614 HydrophobicContact CD2-CE1 3.78Å; L560-F614 HydrophobicContact CG-CD1 3.82Å; L560-F614 HydrophobicContact CG-CE1 4.01Å; L560-L617 HydrophobicContact CB-CD1 4.4Å; L560-L617 HydrophobicContact CD1-CD1 3.91Å; L560-L617 HydrophobicContact CG-CD1 3.77Å |
| 561 | I | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119.2 | 173 | -60.6 | 157.3 | 0 | 0 | 0 | 107.4 | L501 E503 A506 F533 V535 L571 G572 | L501-I561 WeakPolarHBondContact O-CD1 3.43Å; E503-I561 HydrophobicContact CB-CD1 3.97Å; A506-I561 HydrophobicContact CB-CG2 3.74Å; F533-I561 HydrophobicContact CD2-CG2 3.95Å; V535-I561 HydrophobicContact CG1-CG1 4.46Å; V535-I561 HydrophobicContact CG2-CG1 4.28Å; I561-L571 HydrophobicContact CG2-CB 4.34Å; I561-L571 PolarHBondContact O-N 3.11Å; I561-G572 PolarHBondContact N-O 2.87Å; I561-G572 PolarHBondContact O-N 2.94Å |
| 562 | C | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.3 | -170.3 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | F533 K534 F536 M568 R569 | F533-C562 CarbonylContact C-O 3.59Å; F533-C562 WeakPolarHBondContact CA-O 3.37Å; F533-C562 WeakPolarHBondContact CB-O 3.43Å; K534-C562 PolarHBondContact N-O 2.84Å; K534-C562 PolarHBondContact O-N 3.33Å; F536-C562 HydrophobicContact CD2-CB 4.48Å; F536-C562 HydrophobicContact CE2-CB 4.22Å; C562-M568 HydrophobicContact CB-CB 4.47Å; C562-M568 HydrophobicContact CB-CE 3.71Å; C562-R569 CarbonylContact C-O 3.55Å; C562-R569 VanDerWaalsContact CA-O 3.32Å; C562-R569 WeakPolarHBondContact CA-O 3.38Å |
| 563 | N | 93.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 5% | 0.053 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116.2 | 178.2 | -173.3 | -5.3 | 0 | 0 | 0 | 111.5 | H532 A565 D566 M568 R569 L571 | H532-N563 PolarHBondContact O-OD1 3.12Å; N563-A565 PolarHBondContact O-N 2.85Å; N563-A565 PolarHBondContact OD1-N 2.83Å; N563-D566 HydrophobicContact CB-CB 4.06Å; N563-D566 VanDerWaalsContact ND2-CB 3.28Å; N563-D566 WeakPolarHBondContact ND2-CB 3.4Å; N563-D566 PolarHBondContact O-N 3.03Å; N563-M568 WeakPolarHBondContact O-CA 3.39Å; N563-M568 PolarHBondContact O-N 2.95Å; N563-R569 PolarHBondContact N-O 3.3Å; N563-L571 HydrophobicContact CB-CD1 3.79Å; N563-L571 HydrophobicContact CB-CD2 4.13Å; N563-L571 HydrophobicContact CB-CG 3.93Å |
| 564 | K | 90.3 | Very high | 95.6 | Very high | 85 Ų | 85 | 29.9 Ų | 29.9 | 37% | 0.37 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -35 | 179.4 | -68 | -179.3 | -173 | 163.5 | 0 | 113 | F531 H532 F533 K534 D566 M568 | F531-K564 WeakPolarHBondContact O-CD 3.41Å; F531-K564 WeakPolarHBondContact O-CE 3.49Å; F531-K564 PolarHBondContact O-NZ 3.27Å; H532-K564 WeakPolarHBondContact O-CB 3.33Å; H532-K564 PolarHBondContact O-N 2.86Å; F533-K564 WeakPolarHBondContact O-CE 3.39Å; K534-K564 HydrophobicContact CG-CD 4.16Å; K534-K564 HydrophobicContact CG-CG 3.97Å; K564-D566 PolarHBondContact O-N 3.17Å; K564-M568 HydrophobicContact CB-SD 4.37Å; K564-M568 HydrophobicContact CG-SD 3.97Å |
| 565 | A | 88.4 | Confident | 95.9 | Very high | 86 Ų | 86 | 25.8 Ų | 25.8 | 71% | 0.711 | 14% | 0.135 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -8.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N563 | N563-A565 PolarHBondContact O-N 2.85Å; N563-A565 PolarHBondContact OD1-N 2.83Å |
| 566 | D | 91 | Very high | 96.1 | Very high | 64 Ų | 64 | 24.5 Ų | 24.5 | 34% | 0.342 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 56.8 | -173.8 | -170.5 | 7 | 0 | 0 | 0 | 108.4 | N563 K564 M568 R569 | N563-D566 HydrophobicContact CB-CB 4.06Å; N563-D566 VanDerWaalsContact ND2-CB 3.28Å; N563-D566 WeakPolarHBondContact ND2-CB 3.4Å; N563-D566 PolarHBondContact O-N 3.03Å; K564-D566 PolarHBondContact O-N 3.17Å; D566-M568 PolarHBondContact O-N 3.3Å; D566-R569 HydrophobicContact CB-CB 4.42Å; D566-R569 WeakPolarHBondContact O-CB 3.2Å; D566-R569 PolarHBondContact O-N 3.22Å; D566-R569 IonicContact OD2-CZ 3.94Å; D566-R569 IonicContact OD2-NE 3.39Å; D566-R569 PolarHBondContact OD2-NE 3.41Å; D566-R569 IonicContact OD2-NH2 2.76Å; D566-R569 PolarHBondContact OD2-NH2 2.97Å |
| 567 | E | 93.1 | Very high | 96.1 | Very high | 163 Ų | 163 | 24.5 Ų | 24.5 | 76% | 0.762 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 38.2 | 174.3 | -61.9 | 178.8 | -147.1 | 0 | 0 | 114.6 | R569 T596 | E567-R569 PolarHBondContact O-N 2.44Å; E567-T596 HydrophobicContact CB-CG2 4.42Å; E567-T596 WeakPolarHBondContact O-CB 3.46Å; E567-T596 VanDerWaalsContact O-CG2 3.27Å; E567-T596 WeakPolarHBondContact O-CG2 3.43Å |
| 568 | M | 94.8 | Very high | 96 | Very high | 41 Ų | 41 | 25.4 Ų | 25.4 | 20% | 0.202 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 27.6 | -176.9 | -58.3 | -62.6 | -63.4 | 0 | 0 | 113.6 | K534 F536 C562 N563 K564 D566 V570 K597 | K534-M568 HydrophobicContact CB-CE 3.97Å; K534-M568 HydrophobicContact CD-CE 3.77Å; K534-M568 HydrophobicContact CG-CE 3.96Å; F536-M568 HydrophobicContact CE2-CE 3.38Å; F536-M568 HydrophobicContact CZ-CE 3.69Å; C562-M568 HydrophobicContact CB-CB 4.47Å; C562-M568 HydrophobicContact CB-CE 3.71Å; N563-M568 WeakPolarHBondContact O-CA 3.39Å; N563-M568 PolarHBondContact O-N 2.95Å; K564-M568 HydrophobicContact CB-SD 4.37Å; K564-M568 HydrophobicContact CG-SD 3.97Å; D566-M568 PolarHBondContact O-N 3.3Å; M568-V570 PolarHBondContact O-N 3.38Å; M568-K597 HydrophobicContact CB-CB 3.85Å; M568-K597 PolarHBondContact O-N 2.92Å |
| 569 | R | 96.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 29.8 Ų | 29.8 | 19% | 0.192 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.9 | 129.8 | 174.6 | -178.4 | 165.8 | 61.2 | 85.4 | 3.1 | 111.1 | C562 N563 D566 E567 L571 K594 | C562-R569 CarbonylContact C-O 3.55Å; C562-R569 VanDerWaalsContact CA-O 3.32Å; C562-R569 WeakPolarHBondContact CA-O 3.38Å; N563-R569 PolarHBondContact N-O 3.3Å; D566-R569 HydrophobicContact CB-CB 4.42Å; D566-R569 WeakPolarHBondContact O-CB 3.2Å; D566-R569 PolarHBondContact O-N 3.22Å; D566-R569 IonicContact OD2-CZ 3.94Å; D566-R569 IonicContact OD2-NE 3.39Å; D566-R569 PolarHBondContact OD2-NE 3.41Å; D566-R569 IonicContact OD2-NH2 2.76Å; D566-R569 PolarHBondContact OD2-NH2 2.97Å; E567-R569 PolarHBondContact O-N 2.44Å; R569-L571 PolarHBondContact O-N 2.82Å; R569-K594 HydrophobicContact CG-CB 4.48Å |
| 570 | V | 97.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 118.8 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 109.2 | L560 M568 L591 A595 F600 | L560-V570 HydrophobicContact CD2-CG1 4.08Å; M568-V570 PolarHBondContact O-N 3.38Å; V570-L591 HydrophobicContact CG1-CD1 4.24Å; V570-L591 HydrophobicContact CG1-CG 4.25Å; V570-A595 WeakPolarHBondContact CB-O 3.39Å; V570-A595 PolarHBondContact N-O 3.2Å; V570-F600 HydrophobicContact CB-CE2 4.48Å; V570-F600 HydrophobicContact CG2-CD2 4.09Å; V570-F600 HydrophobicContact CG2-CE2 3.74Å; V570-F600 HydrophobicContact CG2-CZ 4.36Å |
| 571 | L | 96.4 | Very high | 95.8 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -28.7 | 177.3 | -61.5 | 179.4 | 0 | 0 | 0 | 112.4 | G500 L501 Y510 I561 N563 R569 | G500-L571 CarbonylContact C-O 3.59Å; G500-L571 WeakPolarHBondContact CA-O 3.48Å; L501-L571 HydrophobicContact CD1-CB 4.33Å; L501-L571 PolarHBondContact N-O 3.41Å; Y510-L571 HydrophobicContact CD2-CD1 3.67Å; Y510-L571 HydrophobicContact CE1-CD1 4.35Å; Y510-L571 HydrophobicContact CE2-CD1 3.32Å; Y510-L571 HydrophobicContact CE2-CD2 4.15Å; Y510-L571 HydrophobicContact CE2-CG 4.3Å; Y510-L571 HydrophobicContact CG-CD1 4.32Å; Y510-L571 WeakPolarHBondContact OH-CD2 3.36Å; I561-L571 HydrophobicContact CG2-CB 4.34Å; I561-L571 PolarHBondContact O-N 3.11Å; N563-L571 HydrophobicContact CB-CD1 3.79Å; N563-L571 HydrophobicContact CB-CD2 4.13Å; N563-L571 HydrophobicContact CB-CG 3.93Å; R569-L571 PolarHBondContact O-N 2.82Å |
| 572 | G | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 138.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C499 L501 L560 I561 | C499-G572 CarbonylContact O-C 3.24Å; C499-G572 WeakPolarHBondContact O-CA 3.48Å; L501-G572 WeakPolarHBondContact O-CA 3.35Å; L560-G572 WeakPolarHBondContact CA-O 3.33Å; I561-G572 PolarHBondContact N-O 2.87Å; I561-G572 PolarHBondContact O-N 2.94Å |
| 573 | F | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.6 | 177.6 | 168.9 | -81.3 | 0 | 0 | 0 | 108.2 | S498 C499 L560 V575 V583 T584 F587 L591 F614 | S498-F573 CarbonylContact C-O 3.56Å; S498-F573 VanDerWaalsContact CA-O 3.25Å; S498-F573 WeakPolarHBondContact CA-O 3.39Å; C499-F573 HydrophobicContact CB-CB 4.4Å; C499-F573 PolarHBondContact N-O 2.9Å; C499-F573 PolarHBondContact O-N 3.23Å; L560-F573 HydrophobicContact CD2-CB 4.27Å; L560-F573 HydrophobicContact CD2-CD2 3.73Å; L560-F573 HydrophobicContact CD2-CG 4.44Å; F573-V575 HydrophobicContact CE1-CB 4.19Å; F573-V575 HydrophobicContact CE1-CG1 3.79Å; F573-V575 HydrophobicContact CZ-CB 4.14Å; F573-V575 HydrophobicContact CZ-CG1 4.01Å; F573-V583 HydrophobicContact CZ-CG1 4.07Å; F573-T584 HydrophobicContact CD1-CG2 4.28Å; F573-T584 HydrophobicContact CE1-CG2 4.17Å; F573-F587 HydrophobicContact CD2-CB 3.89Å; F573-F587 HydrophobicContact CD2-CD2 4.32Å; F573-F587 HydrophobicContact CD2-CG 4.03Å; F573-F587 HydrophobicContact CE1-CB 4.43Å; F573-F587 HydrophobicContact CE2-CB 3.67Å; F573-F587 HydrophobicContact CE2-CD1 4.18Å; F573-F587 AromaticContact CE2-CD2 3.32Å; F573-F587 HydrophobicContact CE2-CD2 3.32Å; F573-F587 AromaticContact CE2-CE2 3.95Å; F573-F587 HydrophobicContact CE2-CE2 3.95Å; F573-F587 AromaticContact CE2-CG 3.46Å; F573-F587 HydrophobicContact CE2-CG 3.46Å; F573-F587 VanDerWaalsContact CE2-CG 3.46Å; F573-F587 HydrophobicContact CG-CB 4.36Å; F573-F587 HydrophobicContact CZ-CB 4Å; F573-F587 AromaticContact CZ-CD2 3.48Å; F573-F587 HydrophobicContact CZ-CD2 3.48Å; F573-F587 VanDerWaalsContact CZ-CD2 3.48Å; F573-F587 HydrophobicContact CZ-CE2 4.21Å; F573-F587 AromaticContact CZ-CG 3.95Å; F573-F587 HydrophobicContact CZ-CG 3.95Å; F573-L591 HydrophobicContact CB-CD1 3.87Å; F573-L591 HydrophobicContact CB-CD2 4.21Å; F573-F614 HydrophobicContact CD2-CD1 4.13Å; F573-F614 AromaticContact CD2-CE1 3.69Å; F573-F614 HydrophobicContact CD2-CE1 3.69Å; F573-F614 HydrophobicContact CD2-CE2 4.49Å; F573-F614 AromaticContact CD2-CZ 3.91Å; F573-F614 HydrophobicContact CD2-CZ 3.91Å; F573-F614 HydrophobicContact CE1-CZ 4.33Å; F573-F614 AromaticContact CE2-CD1 3.72Å; F573-F614 HydrophobicContact CE2-CD1 3.72Å; F573-F614 AromaticContact CE2-CD2 3.76Å; F573-F614 HydrophobicContact CE2-CD2 3.76Å; F573-F614 AromaticContact CE2-CE1 3.33Å; F573-F614 HydrophobicContact CE2-CE1 3.33Å; F573-F614 AromaticContact CE2-CE2 3.38Å; F573-F614 HydrophobicContact CE2-CE2 3.38Å; F573-F614 AromaticContact CE2-CG 3.92Å; F573-F614 HydrophobicContact CE2-CG 3.92Å; F573-F614 AromaticContact CE2-CZ 3.16Å; F573-F614 HydrophobicContact CE2-CZ 3.16Å; F573-F614 HydrophobicContact CZ-CD2 4.17Å; F573-F614 HydrophobicContact CZ-CE1 4.06Å; F573-F614 AromaticContact CZ-CE2 3.45Å; F573-F614 HydrophobicContact CZ-CE2 3.45Å; F573-F614 VanDerWaalsContact CZ-CE2 3.45Å; F573-F614 AromaticContact CZ-CZ 3.39Å; F573-F614 HydrophobicContact CZ-CZ 3.39Å |
| 574 | H | 98.7 | Very high | 96 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.019 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 131.8 | -179.6 | -55.1 | -88.3 | 0 | 0 | 0 | 110.5 | D313 M316 Y496 G497 L501 K559 | D313-H574 IonicContact OD2-CE1 2.66Å; D313-H574 IonicContact OD2-NE2 2.71Å; M316-H574 HydrophobicContact CE-CB 4.04Å; M316-H574 HydrophobicContact CG-CB 3.91Å; M316-H574 HydrophobicContact SD-CB 3.95Å; Y496-H574 HydrophobicContact CE2-CB 4.03Å; Y496-H574 AromaticContact CE2-ND1 3.86Å; Y496-H574 AromaticContact CZ-ND1 3.78Å; Y496-H574 PolarHBondContact OH-ND1 2.8Å; G497-H574 CarbonylContact O-C 3.55Å; G497-H574 WeakPolarHBondContact O-CA 3.33Å; L501-H574 PolarHBondContact O-NE2 3.38Å; K559-H574 HydrophobicContact CB-CB 4.15Å; K559-H574 HydrophobicContact CD-CB 4.43Å; K559-H574 PolarHBondContact N-O 3.04Å; K559-H574 PolarHBondContact O-N 3.43Å |
| 575 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 132.5 | 177 | 67.5 | 0 | 0 | 0 | 0 | 110.7 | Y496 G497 F540 Y557 F573 A580 V583 F614 | Y496-V575 CarbonylContact C-O 3.57Å; Y496-V575 WeakPolarHBondContact CA-O 3.49Å; Y496-V575 WeakPolarHBondContact CD2-O 3.37Å; G497-V575 PolarHBondContact N-O 3.08Å; G497-V575 PolarHBondContact O-N 2.82Å; F540-V575 HydrophobicContact CE1-CG2 4.47Å; F540-V575 HydrophobicContact CZ-CG2 4.29Å; Y557-V575 CarbonylContact O-C 3.18Å; Y557-V575 WeakPolarHBondContact O-CA 3.18Å; F573-V575 HydrophobicContact CE1-CB 4.19Å; F573-V575 HydrophobicContact CE1-CG1 3.79Å; F573-V575 HydrophobicContact CZ-CB 4.14Å; F573-V575 HydrophobicContact CZ-CG1 4.01Å; V575-A580 HydrophobicContact CG1-CB 3.95Å; V575-V583 HydrophobicContact CG1-CG1 4.4Å; V575-F614 HydrophobicContact CB-CE2 3.99Å; V575-F614 HydrophobicContact CB-CZ 3.86Å; V575-F614 HydrophobicContact CG2-CE2 3.93Å; V575-F614 HydrophobicContact CG2-CZ 4.17Å |
| 576 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 105.8 | 170.7 | -177.3 | 59.7 | 0 | 0 | 0 | 106.8 | M316 R319 I320 L494 E495 H555 C556 Y557 | M316-L576 HydrophobicContact CE-CB 3.64Å; R319-L576 HydrophobicContact CB-CD2 3.76Å; I320-L576 HydrophobicContact CD1-CD1 4.38Å; I320-L576 HydrophobicContact CG1-CD1 3.65Å; I320-L576 HydrophobicContact CG1-CD2 4.1Å; L494-L576 HydrophobicContact CB-CD1 4.04Å; L494-L576 HydrophobicContact CD2-CD1 4Å; L494-L576 HydrophobicContact CD2-CD2 4.05Å; L494-L576 HydrophobicContact CD2-CG 3.56Å; L494-L576 HydrophobicContact CG-CD1 3.68Å; L494-L576 HydrophobicContact CG-CG 3.76Å; E495-L576 WeakPolarHBondContact O-CA 3.44Å; E495-L576 WeakPolarHBondContact O-CD1 3.31Å; H555-L576 VanDerWaalsContact O-CD2 3.27Å; H555-L576 WeakPolarHBondContact O-CD2 3.25Å; C556-L576 CarbonylContact C-O 3.49Å; C556-L576 VanDerWaalsContact CA-O 3.25Å; C556-L576 WeakPolarHBondContact CA-O 2.99Å; Y557-L576 PolarHBondContact N-O 2.97Å; Y557-L576 PolarHBondContact O-N 3.31Å |
| 577 | S | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 167.8 | -170.2 | 73.9 | 0 | 0 | 0 | 0 | 112.3 | E495 | E495-S577 WeakPolarHBondContact CB-O 3.43Å; E495-S577 PolarHBondContact N-O 2.88Å; E495-S577 PolarHBondContact O-N 2.99Å |
| 578 | P | 95.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 14% | 0.136 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 143.6 | 156 | -22.5 | 36.2 | 0 | 0 | 0 | 110.1 | P542 F545 A580 | P542-P578 HydrophobicContact CB-CG 4.17Å; P542-P578 HydrophobicContact CG-CG 3.94Å; F545-P578 HydrophobicContact CE1-CG 3.86Å; F545-P578 HydrophobicContact CE2-CG 3.68Å; F545-P578 HydrophobicContact CZ-CB 4.47Å; F545-P578 HydrophobicContact CZ-CG 3.32Å; P578-A580 PolarHBondContact O-N 3.32Å |
| 579 | D | 95.3 | Very high | 97.2 | Very high | 91 Ų | 91 | 31.5 Ų | 31.5 | 49% | 0.487 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 32 | 175.7 | -55.7 | -54.3 | 0 | 0 | 0 | 114.2 | G581 E582 V583 | D579-G581 PolarHBondContact O-N 3.07Å; D579-E582 HydrophobicContact CB-CB 4.47Å; D579-E582 HydrophobicContact CB-CG 4.47Å; D579-E582 PolarHBondContact O-N 3.11Å; D579-V583 PolarHBondContact O-N 2.96Å |
| 580 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.2 | -28.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E495 V575 P578 T584 | E495-A580 HydrophobicContact CB-CB 3.68Å; E495-A580 VanDerWaalsContact O-CB 3.25Å; E495-A580 WeakPolarHBondContact O-CB 3.45Å; E495-A580 PolarHBondContact OE2-N 3.09Å; V575-A580 HydrophobicContact CG1-CB 3.95Å; P578-A580 PolarHBondContact O-N 3.32Å; A580-T584 VanDerWaalsContact O-CB 3.26Å; A580-T584 WeakPolarHBondContact O-CB 3.5Å; A580-T584 PolarHBondContact O-N 2.91Å; A580-T584 PolarHBondContact O-OG1 2.75Å |
| 581 | G | 97.4 | Very high | 97.1 | Very high | 14 Ų | 14 | 30 Ų | 30 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T489 D579 T584 Q585 | T489-G581 VanDerWaalsContact OG1-CA 3.28Å; T489-G581 WeakPolarHBondContact OG1-CA 3.43Å; D579-G581 PolarHBondContact O-N 3.07Å; G581-T584 PolarHBondContact O-N 2.95Å; G581-Q585 WeakPolarHBondContact O-CB 3.44Å; G581-Q585 PolarHBondContact O-N 2.92Å |
| 582 | E | 97 | Very high | 97 | Very high | 149 Ų | 149 | 37.1 Ų | 37.1 | 70% | 0.696 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -68.3 | -42.8 | 178.8 | -63.8 | -57.6 | 148.4 | 0 | 0 | 110.8 | D579 T584 Q585 G586 | D579-E582 HydrophobicContact CB-CB 4.47Å; D579-E582 HydrophobicContact CB-CG 4.47Å; D579-E582 PolarHBondContact O-N 3.11Å; E582-T584 PolarHBondContact O-N 2.69Å; E582-Q585 PolarHBondContact O-N 3.02Å; E582-G586 PolarHBondContact O-N 3.29Å |
| 583 | V | 97.7 | Very high | 96.9 | Very high | 20 Ų | 20 | 44 Ų | 44 | 12% | 0.121 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -48.9 | 174.9 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | F573 V575 D579 Q585 G586 F587 A611 F614 | F573-V583 HydrophobicContact CZ-CG1 4.07Å; V575-V583 HydrophobicContact CG1-CG1 4.4Å; D579-V583 PolarHBondContact O-N 2.96Å; V583-Q585 PolarHBondContact O-N 2.89Å; V583-G586 PolarHBondContact O-N 2.95Å; V583-F587 HydrophobicContact CG1-CD2 3.78Å; V583-F587 HydrophobicContact CG1-CE2 3.75Å; V583-F587 VanDerWaalsContact O-CD2 3.31Å; V583-F587 WeakPolarHBondContact O-CD2 3.13Å; V583-F587 PolarHBondContact O-N 3.15Å; V583-A611 HydrophobicContact CG1-CB 3.97Å; V583-A611 HydrophobicContact CG2-CB 4.35Å; V583-F614 HydrophobicContact CG1-CE2 4.38Å |
| 584 | T | 98.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.1 | -35.5 | -177.5 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | P487 G497 S498 C499 F573 A580 G581 E582 G586 F587 G588 | P487-T584 HydrophobicContact CB-CG2 4.08Å; G497-T584 WeakPolarHBondContact CA-OG1 3.39Å; S498-T584 WeakPolarHBondContact O-CG2 3.37Å; C499-T584 HydrophobicContact CB-CG2 4.3Å; F573-T584 HydrophobicContact CD1-CG2 4.28Å; F573-T584 HydrophobicContact CE1-CG2 4.17Å; A580-T584 VanDerWaalsContact O-CB 3.26Å; A580-T584 WeakPolarHBondContact O-CB 3.5Å; A580-T584 PolarHBondContact O-N 2.91Å; A580-T584 PolarHBondContact O-OG1 2.75Å; G581-T584 PolarHBondContact O-N 2.95Å; E582-T584 PolarHBondContact O-N 2.69Å; T584-G586 VanDerWaalsContact C-N 3.29Å; T584-G586 PolarHBondContact O-N 3.49Å; T584-F587 PolarHBondContact O-N 3.4Å; T584-G588 PolarHBondContact O-N 3.02Å |
| 585 | Q | 97 | Very high | 96.8 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 59% | 0.593 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | 178 | -178 | 55.7 | 67.5 | 0 | 0 | 111.6 | G581 E582 V583 | G581-Q585 WeakPolarHBondContact O-CB 3.44Å; G581-Q585 PolarHBondContact O-N 2.92Å; E582-Q585 PolarHBondContact O-N 3.02Å; V583-Q585 PolarHBondContact O-N 2.89Å |
| 586 | G | 95.2 | Very high | 96.8 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 47% | 0.474 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.7 | -60.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E582 V583 T584 G588 I589 | E582-G586 PolarHBondContact O-N 3.29Å; V583-G586 PolarHBondContact O-N 2.95Å; T584-G586 VanDerWaalsContact C-N 3.29Å; T584-G586 PolarHBondContact O-N 3.49Å; G586-G588 PolarHBondContact O-N 3.1Å; G586-G588 VanDerWaalsContact O-N 3.1Å; G586-I589 VanDerWaalsContact O-CG2 3.27Å; G586-I589 WeakPolarHBondContact O-CG2 3.46Å; G586-I589 PolarHBondContact O-N 3.45Å; G586-I589 VanDerWaalsContact O-N 3.17Å |
| 587 | F | 96.7 | Very high | 96.7 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 12% | 0.123 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -19.1 | -178.1 | -73.8 | -70.5 | 0 | 0 | 0 | 114.2 | F573 V583 T584 I589 A590 L591 F600 A611 F614 | F573-F587 HydrophobicContact CD2-CB 3.89Å; F573-F587 HydrophobicContact CD2-CD2 4.32Å; F573-F587 HydrophobicContact CD2-CG 4.03Å; F573-F587 HydrophobicContact CE1-CB 4.43Å; F573-F587 HydrophobicContact CE2-CB 3.67Å; F573-F587 HydrophobicContact CE2-CD1 4.18Å; F573-F587 AromaticContact CE2-CD2 3.32Å; F573-F587 HydrophobicContact CE2-CD2 3.32Å; F573-F587 AromaticContact CE2-CE2 3.95Å; F573-F587 HydrophobicContact CE2-CE2 3.95Å; F573-F587 AromaticContact CE2-CG 3.46Å; F573-F587 HydrophobicContact CE2-CG 3.46Å; F573-F587 VanDerWaalsContact CE2-CG 3.46Å; F573-F587 HydrophobicContact CG-CB 4.36Å; F573-F587 HydrophobicContact CZ-CB 4Å; F573-F587 AromaticContact CZ-CD2 3.48Å; F573-F587 HydrophobicContact CZ-CD2 3.48Å; F573-F587 VanDerWaalsContact CZ-CD2 3.48Å; F573-F587 HydrophobicContact CZ-CE2 4.21Å; F573-F587 AromaticContact CZ-CG 3.95Å; F573-F587 HydrophobicContact CZ-CG 3.95Å; V583-F587 HydrophobicContact CG1-CD2 3.78Å; V583-F587 HydrophobicContact CG1-CE2 3.75Å; V583-F587 VanDerWaalsContact O-CD2 3.31Å; V583-F587 WeakPolarHBondContact O-CD2 3.13Å; V583-F587 PolarHBondContact O-N 3.15Å; T584-F587 PolarHBondContact O-N 3.4Å; F587-I589 PolarHBondContact O-N 3.04Å; F587-A590 WeakPolarHBondContact O-CB 3.49Å; F587-A590 PolarHBondContact O-N 3.27Å; F587-L591 WeakPolarHBondContact O-CD1 3.31Å; F587-L591 PolarHBondContact O-N 3.31Å; F587-F600 HydrophobicContact CD1-CD1 4.33Å; F587-F600 AromaticContact CD1-CE1 3.39Å; F587-F600 HydrophobicContact CD1-CE1 3.39Å; F587-F600 AromaticContact CD1-CZ 3.72Å; F587-F600 HydrophobicContact CD1-CZ 3.72Å; F587-F600 AromaticContact CE1-CD1 3.91Å; F587-F600 HydrophobicContact CE1-CD1 3.91Å; F587-F600 AromaticContact CE1-CE1 3.4Å; F587-F600 HydrophobicContact CE1-CE1 3.4Å; F587-F600 VanDerWaalsContact CE1-CE1 3.4Å; F587-F600 HydrophobicContact CE1-CZ 4.14Å; F587-F600 HydrophobicContact CG-CE1 4.38Å; F587-F600 HydrophobicContact CZ-CE1 4.39Å; F587-A611 HydrophobicContact CE2-CB 4.07Å; F587-F614 HydrophobicContact CD2-CD2 4.42Å; F587-F614 HydrophobicContact CE1-CB 4.17Å; F587-F614 HydrophobicContact CE2-CB 4.33Å; F587-F614 AromaticContact CE2-CD2 3.7Å; F587-F614 HydrophobicContact CE2-CD2 3.7Å; F587-F614 HydrophobicContact CE2-CE2 4.37Å; F587-F614 HydrophobicContact CE2-CG 4.18Å; F587-F614 HydrophobicContact CZ-CB 3.7Å; F587-F614 AromaticContact CZ-CD2 3.96Å; F587-F614 HydrophobicContact CZ-CD2 3.96Å; F587-F614 HydrophobicContact CZ-CG 4.02Å |
| 588 | G | 96.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -53.5 | -34.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T584 G586 R592 | T584-G588 PolarHBondContact O-N 3.02Å; G586-G588 PolarHBondContact O-N 3.1Å; G586-G588 VanDerWaalsContact O-N 3.1Å; G588-R592 PolarHBondContact O-N 2.85Å |
| 589 | I | 96.2 | Very high | 96.8 | Very high | 96 Ų | 96 | 61.2 Ų | 61.2 | 49% | 0.492 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 175.7 | -162.3 | 60.8 | 0 | 0 | 0 | 111.7 | G586 F587 L591 R592 M593 | G586-I589 VanDerWaalsContact O-CG2 3.27Å; G586-I589 WeakPolarHBondContact O-CG2 3.46Å; G586-I589 PolarHBondContact O-N 3.45Å; G586-I589 VanDerWaalsContact O-N 3.17Å; F587-I589 PolarHBondContact O-N 3.04Å; I589-L591 VanDerWaalsContact C-N 3.33Å; I589-L591 PolarHBondContact O-N 3.34Å; I589-R592 CarbonylContact O-C 3.49Å; I589-R592 PolarHBondContact O-N 3.31Å; I589-R592 VanDerWaalsContact O-N 3.1Å; I589-M593 HydrophobicContact CG1-CG 4.4Å; I589-M593 HydrophobicContact CG1-SD 4.1Å; I589-M593 WeakPolarHBondContact O-CG 3.49Å; I589-M593 PolarHBondContact O-N 3.09Å |
| 590 | A | 95.9 | Very high | 96.9 | Very high | 20 Ų | 20 | 57.2 Ų | 57.2 | 17% | 0.165 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | F587 R592 M593 K594 A595 F600 | F587-A590 WeakPolarHBondContact O-CB 3.49Å; F587-A590 PolarHBondContact O-N 3.27Å; A590-R592 PolarHBondContact O-N 3.35Å; A590-M593 CarbonylContact O-C 3.58Å; A590-M593 PolarHBondContact O-N 3.44Å; A590-K594 PolarHBondContact O-N 2.93Å; A590-K594 VanDerWaalsContact O-N 3.09Å; A590-A595 HydrophobicContact CB-CB 3.87Å; A590-A595 VanDerWaalsContact O-CB 3.31Å; A590-A595 WeakPolarHBondContact O-CB 3.42Å; A590-A595 PolarHBondContact O-N 3.08Å; A590-F600 HydrophobicContact CB-CE2 4.27Å; A590-F600 HydrophobicContact CB-CZ 4.3Å |
| 591 | L | 96.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 175.7 | -82.1 | 80.8 | 0 | 0 | 0 | 112.4 | N485 C499 V570 F573 F587 I589 M593 K594 | N485-L591 HydrophobicContact CB-CB 4.41Å; C499-L591 HydrophobicContact CB-CD2 3.93Å; C499-L591 WeakPolarHBondContact O-CD2 3.35Å; V570-L591 HydrophobicContact CG1-CD1 4.24Å; V570-L591 HydrophobicContact CG1-CG 4.25Å; F573-L591 HydrophobicContact CB-CD1 3.87Å; F573-L591 HydrophobicContact CB-CD2 4.21Å; F587-L591 WeakPolarHBondContact O-CD1 3.31Å; F587-L591 PolarHBondContact O-N 3.31Å; I589-L591 VanDerWaalsContact C-N 3.33Å; I589-L591 PolarHBondContact O-N 3.34Å; L591-M593 VanDerWaalsContact C-N 3.31Å; L591-K594 PolarHBondContact O-N 3.1Å |
| 592 | R | 94.2 | Very high | 96.9 | Very high | 156 Ų | 156 | 65.5 Ų | 65.5 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -69 | -30.6 | 173.8 | -71.7 | -134.7 | -82.1 | 134.8 | -1.5 | 112.6 | G588 I589 A590 K594 | G588-R592 PolarHBondContact O-N 2.85Å; I589-R592 CarbonylContact O-C 3.49Å; I589-R592 PolarHBondContact O-N 3.31Å; I589-R592 VanDerWaalsContact O-N 3.1Å; A590-R592 PolarHBondContact O-N 3.35Å; R592-K594 PolarHBondContact O-N 3.08Å |
| 593 | M | 96.1 | Very high | 96.9 | Very high | 144 Ų | 144 | 63 Ų | 63 | 71% | 0.709 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 4 | 173 | -67.7 | -177.6 | 67.3 | 0 | 0 | 113.4 | I589 A590 L591 A595 | I589-M593 HydrophobicContact CG1-CG 4.4Å; I589-M593 HydrophobicContact CG1-SD 4.1Å; I589-M593 WeakPolarHBondContact O-CG 3.49Å; I589-M593 PolarHBondContact O-N 3.09Å; A590-M593 CarbonylContact O-C 3.58Å; A590-M593 PolarHBondContact O-N 3.44Å; L591-M593 VanDerWaalsContact C-N 3.31Å; M593-A595 VanDerWaalsContact C-N 3.29Å; M593-A595 PolarHBondContact O-N 3.25Å |
| 594 | K | 96.2 | Very high | 96.8 | Very high | 147 Ų | 147 | 68.3 Ų | 68.3 | 64% | 0.639 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 34.3 | -179.9 | -59.1 | -179.8 | -178.3 | 178.4 | 0 | 113.7 | R569 A590 L591 R592 | R569-K594 HydrophobicContact CG-CB 4.48Å; A590-K594 PolarHBondContact O-N 2.93Å; A590-K594 VanDerWaalsContact O-N 3.09Å; L591-K594 PolarHBondContact O-N 3.1Å; R592-K594 PolarHBondContact O-N 3.08Å |
| 595 | A | 97.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 69.5 Ų | 69.5 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | trans | -52.9 | 145.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V570 A590 M593 D599 F600 | V570-A595 WeakPolarHBondContact CB-O 3.39Å; V570-A595 PolarHBondContact N-O 3.2Å; A590-A595 HydrophobicContact CB-CB 3.87Å; A590-A595 VanDerWaalsContact O-CB 3.31Å; A590-A595 WeakPolarHBondContact O-CB 3.42Å; A590-A595 PolarHBondContact O-N 3.08Å; M593-A595 VanDerWaalsContact C-N 3.29Å; M593-A595 PolarHBondContact O-N 3.25Å; A595-D599 HydrophobicContact CB-CB 4.3Å; A595-F600 HydrophobicContact CB-CD2 4.48Å; A595-F600 HydrophobicContact CB-CE2 3.98Å | ||
| 596 | T | 97.9 | Very high | 96.6 | Very high | 23 Ų | 23 | 69.6 Ų | 69.6 | 14% | 0.141 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -95.6 | 164.7 | 176.5 | 68.1 | 0 | 0 | 0 | 0 | 111 | E567 H598 D599 F600 | E567-T596 HydrophobicContact CB-CG2 4.42Å; E567-T596 WeakPolarHBondContact O-CB 3.46Å; E567-T596 VanDerWaalsContact O-CG2 3.27Å; E567-T596 WeakPolarHBondContact O-CG2 3.43Å; T596-H598 PolarHBondContact O-N 3.4Å; T596-H598 PolarHBondContact OG1-N 3.37Å; T596-D599 PolarHBondContact N-OD2 3.28Å; T596-D599 PolarHBondContact O-N 2.91Å; T596-D599 PolarHBondContact OG1-N 2.92Å; T596-D599 PolarHBondContact OG1-OD2 3.34Å; T596-F600 VanDerWaalsContact O-CD2 3.31Å; T596-F600 WeakPolarHBondContact O-CD2 3.4Å; T596-F600 PolarHBondContact O-N 3.46Å |
| 597 | K | 97.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 73.8 Ų | 73.8 | 4% | 0.035 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.9 | -33 | 169.8 | -179.1 | 56 | 170.9 | 66.9 | 0 | 112.2 | F536 L560 M568 F600 D601 L617 | F536-K597 HydrophobicContact CD2-CD 4.03Å; F536-K597 HydrophobicContact CD2-CG 4.26Å; F536-K597 HydrophobicContact CE2-CB 4.46Å; F536-K597 HydrophobicContact CE2-CD 4.11Å; F536-K597 HydrophobicContact CE2-CG 3.81Å; F536-K597 HydrophobicContact CG-CD 4.32Å; F536-K597 HydrophobicContact CZ-CD 4.47Å; F536-K597 HydrophobicContact CZ-CG 3.98Å; L560-K597 HydrophobicContact CD1-CD 3.99Å; M568-K597 HydrophobicContact CB-CB 3.85Å; M568-K597 PolarHBondContact O-N 2.92Å; K597-F600 WeakPolarHBondContact O-CB 3.33Å; K597-F600 PolarHBondContact O-N 3.4Å; K597-D601 IonicContact NZ-OD1 3.54Å; K597-D601 PolarHBondContact NZ-OD1 3.46Å; K597-D601 IonicContact NZ-OD2 2.61Å; K597-D601 PolarHBondContact NZ-OD2 3.09Å; K597-D601 PolarHBondContact O-N 3.33Å; K597-D601 VanDerWaalsContact O-N 3.13Å; K597-L617 WeakPolarHBondContact CE-O 3.22Å; K597-L617 PolarHBondContact NZ-O 3.43Å |
| 598 | H | 97.5 | Very high | 96.4 | Very high | 115 Ų | 115 | 75 Ų | 75 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 179.4 | -170.9 | 55.1 | 0 | 0 | 0 | 112.3 | T596 F600 D601 L602 | T596-H598 PolarHBondContact O-N 3.4Å; T596-H598 PolarHBondContact OG1-N 3.37Å; H598-F600 PolarHBondContact O-N 3.24Å; H598-D601 PolarHBondContact O-N 3.22Å; H598-D601 VanDerWaalsContact O-N 3.12Å; H598-L602 WeakPolarHBondContact NE2-CD1 3.45Å; H598-L602 PolarHBondContact O-N 2.87Å |
| 599 | D | 98 | Very high | 96.4 | Very high | 82 Ų | 82 | 77.2 Ų | 77.2 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | 175.1 | -60.4 | -54.7 | 0 | 0 | 0 | 112.1 | A595 T596 L603 | A595-D599 HydrophobicContact CB-CB 4.3Å; T596-D599 PolarHBondContact N-OD2 3.28Å; T596-D599 PolarHBondContact O-N 2.91Å; T596-D599 PolarHBondContact OG1-N 2.92Å; T596-D599 PolarHBondContact OG1-OD2 3.34Å; D599-L603 PolarHBondContact O-N 3.45Å |
| 600 | F | 97.7 | Very high | 96.4 | Very high | 6 Ų | 6 | 73.3 Ų | 73.3 | 3% | 0.026 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.6 | -39.8 | 174.4 | -79.5 | -113 | 0 | 0 | 0 | 111.6 | L560 V570 F587 A590 A595 T596 K597 H598 L603 F614 T615 | L560-F600 HydrophobicContact CD1-CD1 3.79Å; L560-F600 HydrophobicContact CD1-CE1 4.07Å; L560-F600 HydrophobicContact CD1-CG 4.16Å; L560-F600 HydrophobicContact CD2-CE1 3.99Å; L560-F600 HydrophobicContact CD2-CZ 4.31Å; V570-F600 HydrophobicContact CB-CE2 4.48Å; V570-F600 HydrophobicContact CG2-CD2 4.09Å; V570-F600 HydrophobicContact CG2-CE2 3.74Å; V570-F600 HydrophobicContact CG2-CZ 4.36Å; F587-F600 HydrophobicContact CD1-CD1 4.33Å; F587-F600 AromaticContact CD1-CE1 3.39Å; F587-F600 HydrophobicContact CD1-CE1 3.39Å; F587-F600 AromaticContact CD1-CZ 3.72Å; F587-F600 HydrophobicContact CD1-CZ 3.72Å; F587-F600 AromaticContact CE1-CD1 3.91Å; F587-F600 HydrophobicContact CE1-CD1 3.91Å; F587-F600 AromaticContact CE1-CE1 3.4Å; F587-F600 HydrophobicContact CE1-CE1 3.4Å; F587-F600 VanDerWaalsContact CE1-CE1 3.4Å; F587-F600 HydrophobicContact CE1-CZ 4.14Å; F587-F600 HydrophobicContact CG-CE1 4.38Å; F587-F600 HydrophobicContact CZ-CE1 4.39Å; A590-F600 HydrophobicContact CB-CE2 4.27Å; A590-F600 HydrophobicContact CB-CZ 4.3Å; A595-F600 HydrophobicContact CB-CD2 4.48Å; A595-F600 HydrophobicContact CB-CE2 3.98Å; T596-F600 VanDerWaalsContact O-CD2 3.31Å; T596-F600 WeakPolarHBondContact O-CD2 3.4Å; T596-F600 PolarHBondContact O-N 3.46Å; K597-F600 WeakPolarHBondContact O-CB 3.33Å; K597-F600 PolarHBondContact O-N 3.4Å; H598-F600 PolarHBondContact O-N 3.24Å; F600-L603 WeakPolarHBondContact O-CB 3.5Å; F600-L603 PolarHBondContact O-N 3.1Å; F600-F614 HydrophobicContact CD1-CB 3.97Å; F600-F614 HydrophobicContact CE1-CB 4.29Å; F600-F614 HydrophobicContact CE1-CD1 4.44Å; F600-T615 WeakPolarHBondContact O-CA 3.48Å |
| 601 | D | 97.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 73.8 Ų | 73.8 | 37% | 0.374 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -71.9 | -30.4 | -179.1 | -67.9 | -24.4 | 0 | 0 | 0 | 113.4 | K597 H598 L603 | K597-D601 IonicContact NZ-OD1 3.54Å; K597-D601 PolarHBondContact NZ-OD1 3.46Å; K597-D601 IonicContact NZ-OD2 2.61Å; K597-D601 PolarHBondContact NZ-OD2 3.09Å; K597-D601 PolarHBondContact O-N 3.33Å; K597-D601 VanDerWaalsContact O-N 3.13Å; H598-D601 PolarHBondContact O-N 3.22Å; H598-D601 VanDerWaalsContact O-N 3.12Å; D601-L603 VanDerWaalsContact C-N 3.35Å |
| 602 | L | 97.2 | Very high | 96.4 | Very high | 119 Ų | 119 | 75 Ų | 75 | 62% | 0.623 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -82.2 | -13.4 | 176.2 | -70.6 | -177.9 | 0 | 0 | 0 | 113.4 | H598 V604 | H598-L602 WeakPolarHBondContact NE2-CD1 3.45Å; H598-L602 PolarHBondContact O-N 2.87Å; L602-V604 PolarHBondContact O-N 3.14Å |
| 603 | L | 96.7 | Very high | 96.4 | Very high | 95 Ų | 95 | 67.9 Ų | 67.9 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -70.6 | 126.2 | -179.6 | -178.6 | 64.9 | 0 | 0 | 0 | 110.3 | D599 F600 D601 G605 T615 | D599-L603 PolarHBondContact O-N 3.45Å; F600-L603 WeakPolarHBondContact O-CB 3.5Å; F600-L603 PolarHBondContact O-N 3.1Å; D601-L603 VanDerWaalsContact C-N 3.35Å; L603-G605 PolarHBondContact O-N 2.78Å; L603-T615 HydrophobicContact CB-CG2 4.16Å; L603-T615 HydrophobicContact CD2-CG2 4.3Å; L603-T615 HydrophobicContact CG-CG2 4.31Å; L603-T615 WeakPolarHBondContact O-CG2 3.17Å |
| 604 | V | 97.2 | Very high | 96.5 | Very high | 132 Ų | 132 | 61 Ų | 61 | 80% | 0.8 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -68 | 119.9 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 109.3 | L602 | L602-V604 PolarHBondContact O-N 3.14Š|
| 605 | G | 94.2 | Very high | 96.5 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 146.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L603 | L603-G605 PolarHBondContact O-N 2.78Š|
| 606 | I | 95.9 | Very high | 96.2 | Very high | 128 Ų | 128 | 57.6 Ų | 57.6 | 66% | 0.656 | 32% | 0.323 | S | S | * | . | trans | -91 | 113.7 | 167.2 | -58.5 | 175.7 | 0 | 0 | 0 | 107 | P608 T609 | I606-P608 CarbonylContact O-C 3.43Å; I606-T609 HydrophobicContact CB-CG2 4.05Å; I606-T609 HydrophobicContact CG2-CG2 3.74Å; I606-T609 WeakPolarHBondContact O-CB 3.42Å; I606-T609 WeakPolarHBondContact O-CG2 3.37Å; I606-T609 PolarHBondContact O-N 2.86Å; I606-T609 PolarHBondContact O-OG1 2.93Å | ||
| 607 | H | 94.9 | Very high | 96.1 | Very high | 134 Ų | 134 | 56.6 Ų | 56.6 | 62% | 0.62 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -105 | 132.7 | -172.8 | -171.9 | 69.1 | 0 | 0 | 0 | 113.7 | E612 C632 | H607-E612 WeakPolarHBondContact CA-OE2 3.14Å; H607-E612 WeakPolarHBondContact CB-OE1 3.47Å; H607-E612 IonicContact CE1-OE2 3.85Å; H607-E612 IonicContact CG-OE1 3.61Å; H607-E612 IonicContact CG-OE2 3.56Å; H607-E612 IonicContact ND1-OE1 2.68Å; H607-E612 PolarHBondContact ND1-OE1 2.99Å; H607-E612 VanDerWaalsContact ND1-OE1 3.16Å; H607-E612 IonicContact ND1-OE2 3.57Å; H607-E612 PolarHBondContact ND1-OE2 2.96Å; H607-C632 PolarHBondContact CE1-O 3.25Å |
| 608 | P | 93.5 | Very high | 95.8 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | S | Bend | cis | -88.4 | 135.6 | -14.8 | 30.1 | -26.3 | 0 | 0 | 0 | 111.6 | L543 I606 C632 | L543-P608 HydrophobicContact CB-CB 4.41Å; L543-P608 HydrophobicContact CB-CG 4.27Å; L543-P608 HydrophobicContact CD2-CB 4.43Å; L543-P608 HydrophobicContact CD2-CG 3.44Å; L543-P608 VanDerWaalsContact CD2-CG 3.44Å; L543-P608 HydrophobicContact CG-CG 4.3Å; I606-P608 CarbonylContact O-C 3.43Å; P608-C632 HydrophobicContact CB-CB 4.48Å |
| 609 | T | 95.6 | Very high | 95.6 | Very high | 50 Ų | 50 | 57.4 Ų | 57.4 | 31% | 0.307 | 33% | 0.33 | S | S | . | . | trans | -143.9 | 151.5 | 169.2 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | I606 A611 E612 | I606-T609 HydrophobicContact CB-CG2 4.05Å; I606-T609 HydrophobicContact CG2-CG2 3.74Å; I606-T609 WeakPolarHBondContact O-CB 3.42Å; I606-T609 WeakPolarHBondContact O-CG2 3.37Å; I606-T609 PolarHBondContact O-N 2.86Å; I606-T609 PolarHBondContact O-OG1 2.93Å; T609-A611 PolarHBondContact O-N 3.49Å; T609-E612 WeakPolarHBondContact O-CB 3.48Å; T609-E612 PolarHBondContact O-N 3.39Å; T609-E612 VanDerWaalsContact O-N 3.08Å; T609-E612 PolarHBondContact OG1-N 3.02Å | ||
| 610 | C | 96.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 10% | 0.095 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -58.4 | -29.3 | 173.8 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | F540 E612 I613 | F540-C610 HydrophobicContact CE2-CB 3.89Å; F540-C610 HydrophobicContact CZ-CB 4.39Å; C610-E612 VanDerWaalsContact C-N 3.3Å; C610-I613 WeakPolarHBondContact O-CG2 3.22Å |
| 611 | A | 96.5 | Very high | 94.9 | Very high | 29 Ų | 29 | 57 Ų | 57 | 24% | 0.24 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -71.8 | -24.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V583 F587 T609 I613 F614 | V583-A611 HydrophobicContact CG1-CB 3.97Å; V583-A611 HydrophobicContact CG2-CB 4.35Å; F587-A611 HydrophobicContact CE2-CB 4.07Å; T609-A611 PolarHBondContact O-N 3.49Å; A611-I613 PolarHBondContact O-N 3.31Å; A611-F614 PolarHBondContact O-N 3.08Å |
| 612 | E | 96 | Very high | 94.3 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -57.4 | -34.6 | -179.9 | -176.3 | 173.4 | -159.6 | 0 | 0 | 112.6 | H607 T609 C610 F614 T615 | H607-E612 WeakPolarHBondContact CA-OE2 3.14Å; H607-E612 WeakPolarHBondContact CB-OE1 3.47Å; H607-E612 IonicContact CE1-OE2 3.85Å; H607-E612 IonicContact CG-OE1 3.61Å; H607-E612 IonicContact CG-OE2 3.56Å; H607-E612 IonicContact ND1-OE1 2.68Å; H607-E612 PolarHBondContact ND1-OE1 2.99Å; H607-E612 VanDerWaalsContact ND1-OE1 3.16Å; H607-E612 IonicContact ND1-OE2 3.57Å; H607-E612 PolarHBondContact ND1-OE2 2.96Å; T609-E612 WeakPolarHBondContact O-CB 3.48Å; T609-E612 PolarHBondContact O-N 3.39Å; T609-E612 VanDerWaalsContact O-N 3.08Å; T609-E612 PolarHBondContact OG1-N 3.02Å; C610-E612 VanDerWaalsContact C-N 3.3Å; E612-F614 PolarHBondContact O-N 2.79Å; E612-T615 PolarHBondContact O-N 2.93Å; E612-T615 PolarHBondContact O-OG1 3.28Å |
| 613 | I | 95.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -51.2 | -28.4 | -178.6 | -167.7 | 56.9 | 0 | 0 | 0 | 113.5 | A538 F540 A558 C610 A611 T615 S616 L617 | A538-I613 HydrophobicContact CB-CD1 3.94Å; A538-I613 HydrophobicContact CB-CG1 4.19Å; F540-I613 HydrophobicContact CB-CD1 3.89Å; F540-I613 HydrophobicContact CB-CG1 4.01Å; F540-I613 HydrophobicContact CD1-CB 4.28Å; F540-I613 HydrophobicContact CD1-CG1 3.9Å; F540-I613 HydrophobicContact CD1-CG2 4.17Å; F540-I613 HydrophobicContact CE1-CG2 4.13Å; F540-I613 HydrophobicContact CG-CB 4.32Å; F540-I613 HydrophobicContact CG-CG1 4.11Å; A558-I613 HydrophobicContact CB-CB 4.5Å; A558-I613 HydrophobicContact CB-CG1 4.07Å; A558-I613 HydrophobicContact CB-CG2 3.55Å; C610-I613 WeakPolarHBondContact O-CG2 3.22Å; A611-I613 PolarHBondContact O-N 3.31Å; I613-T615 VanDerWaalsContact C-N 3.27Å; I613-T615 PolarHBondContact O-N 2.88Å; I613-S616 PolarHBondContact O-N 3.41Å; I613-S616 PolarHBondContact O-OG 2.83Å; I613-L617 HydrophobicContact CG1-CD2 4.1Å; I613-L617 VanDerWaalsContact O-CG 3.31Å; I613-L617 WeakPolarHBondContact O-CG 3.38Å; I613-L617 PolarHBondContact O-N 3.06Å |
| 614 | F | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -72.3 | -15.8 | -179 | -75.8 | -74.5 | 0 | 0 | 0 | 114.2 | A558 L560 F573 V575 V583 F587 F600 A611 E612 L617 | A558-F614 HydrophobicContact CB-CE1 3.9Å; A558-F614 HydrophobicContact CB-CE2 4.03Å; A558-F614 HydrophobicContact CB-CZ 3.59Å; L560-F614 HydrophobicContact CD1-CD1 4.13Å; L560-F614 HydrophobicContact CD2-CD1 3.75Å; L560-F614 HydrophobicContact CD2-CE1 3.78Å; L560-F614 HydrophobicContact CG-CD1 3.82Å; L560-F614 HydrophobicContact CG-CE1 4.01Å; F573-F614 HydrophobicContact CD2-CD1 4.13Å; F573-F614 AromaticContact CD2-CE1 3.69Å; F573-F614 HydrophobicContact CD2-CE1 3.69Å; F573-F614 HydrophobicContact CD2-CE2 4.49Å; F573-F614 AromaticContact CD2-CZ 3.91Å; F573-F614 HydrophobicContact CD2-CZ 3.91Å; F573-F614 HydrophobicContact CE1-CZ 4.33Å; F573-F614 AromaticContact CE2-CD1 3.72Å; F573-F614 HydrophobicContact CE2-CD1 3.72Å; F573-F614 AromaticContact CE2-CD2 3.76Å; F573-F614 HydrophobicContact CE2-CD2 3.76Å; F573-F614 AromaticContact CE2-CE1 3.33Å; F573-F614 HydrophobicContact CE2-CE1 3.33Å; F573-F614 AromaticContact CE2-CE2 3.38Å; F573-F614 HydrophobicContact CE2-CE2 3.38Å; F573-F614 AromaticContact CE2-CG 3.92Å; F573-F614 HydrophobicContact CE2-CG 3.92Å; F573-F614 AromaticContact CE2-CZ 3.16Å; F573-F614 HydrophobicContact CE2-CZ 3.16Å; F573-F614 HydrophobicContact CZ-CD2 4.17Å; F573-F614 HydrophobicContact CZ-CE1 4.06Å; F573-F614 AromaticContact CZ-CE2 3.45Å; F573-F614 HydrophobicContact CZ-CE2 3.45Å; F573-F614 VanDerWaalsContact CZ-CE2 3.45Å; F573-F614 AromaticContact CZ-CZ 3.39Å; F573-F614 HydrophobicContact CZ-CZ 3.39Å; V575-F614 HydrophobicContact CB-CE2 3.99Å; V575-F614 HydrophobicContact CB-CZ 3.86Å; V575-F614 HydrophobicContact CG2-CE2 3.93Å; V575-F614 HydrophobicContact CG2-CZ 4.17Å; V583-F614 HydrophobicContact CG1-CE2 4.38Å; F587-F614 HydrophobicContact CD2-CD2 4.42Å; F587-F614 HydrophobicContact CE1-CB 4.17Å; F587-F614 HydrophobicContact CE2-CB 4.33Å; F587-F614 AromaticContact CE2-CD2 3.7Å; F587-F614 HydrophobicContact CE2-CD2 3.7Å; F587-F614 HydrophobicContact CE2-CE2 4.37Å; F587-F614 HydrophobicContact CE2-CG 4.18Å; F587-F614 HydrophobicContact CZ-CB 3.7Å; F587-F614 AromaticContact CZ-CD2 3.96Å; F587-F614 HydrophobicContact CZ-CD2 3.96Å; F587-F614 HydrophobicContact CZ-CG 4.02Å; F600-F614 HydrophobicContact CD1-CB 3.97Å; F600-F614 HydrophobicContact CE1-CB 4.29Å; F600-F614 HydrophobicContact CE1-CD1 4.44Å; A611-F614 PolarHBondContact O-N 3.08Å; E612-F614 PolarHBondContact O-N 2.79Å; F614-L617 HydrophobicContact CD1-CD1 3.78Å; F614-L617 HydrophobicContact CE1-CD1 4.16Å |
| 615 | T | 95.9 | Very high | 91.9 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -86.7 | -11.1 | 175 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | F600 L603 E612 I613 | F600-T615 WeakPolarHBondContact O-CA 3.48Å; L603-T615 HydrophobicContact CB-CG2 4.16Å; L603-T615 HydrophobicContact CD2-CG2 4.3Å; L603-T615 HydrophobicContact CG-CG2 4.31Å; L603-T615 WeakPolarHBondContact O-CG2 3.17Å; E612-T615 PolarHBondContact O-N 2.93Å; E612-T615 PolarHBondContact O-OG1 3.28Å; I613-T615 VanDerWaalsContact C-N 3.27Å; I613-T615 PolarHBondContact O-N 2.88Å |
| 616 | S | 93.2 | Very high | 91.2 | Very high | 58 Ų | 58 | 63.8 Ų | 63.8 | 41% | 0.406 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -121.8 | 8.5 | -173 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | I613 V618 | I613-S616 PolarHBondContact O-N 3.41Å; I613-S616 PolarHBondContact O-OG 2.83Å; S616-V618 PolarHBondContact O-N 2.85Å |
| 617 | L | 93.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | trans | -68.5 | 97.3 | 179.5 | -66.5 | -176.6 | 0 | 0 | 0 | 112.3 | F536 A538 A558 L560 K597 I613 F614 | F536-L617 HydrophobicContact CB-CB 3.99Å; F536-L617 HydrophobicContact CB-CD1 4.38Å; F536-L617 WeakPolarHBondContact CD1-O 3.29Å; A538-L617 HydrophobicContact CB-CD2 3.44Å; A538-L617 VanDerWaalsContact CB-CD2 3.44Å; A558-L617 HydrophobicContact CB-CD2 4.42Å; L560-L617 HydrophobicContact CB-CD1 4.4Å; L560-L617 HydrophobicContact CD1-CD1 3.91Å; L560-L617 HydrophobicContact CG-CD1 3.77Å; K597-L617 WeakPolarHBondContact CE-O 3.22Å; K597-L617 PolarHBondContact NZ-O 3.43Å; I613-L617 HydrophobicContact CG1-CD2 4.1Å; I613-L617 VanDerWaalsContact O-CG 3.31Å; I613-L617 WeakPolarHBondContact O-CG 3.38Å; I613-L617 PolarHBondContact O-N 3.06Å; F614-L617 HydrophobicContact CD1-CD1 3.78Å; F614-L617 HydrophobicContact CE1-CD1 4.16Å | ||
| 618 | V | 92.1 | Very high | 89.5 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 69% | 0.685 | 33% | 0.332 | S | S | * | . | trans | -105.8 | -29.7 | 177.9 | -64.4 | 0 | 0 | 0 | 0 | 113.9 | S616 | S616-V618 PolarHBondContact O-N 2.85Š| ||
| 619 | V | 92.6 | Very high | 88.3 | Confident | 27 Ų | 27 | 63 Ų | 63 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | trans | -76.2 | 140.2 | -177.6 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | F536 H537 Q625 L627 | F536-V619 VanDerWaalsContact CA-O 3.29Å; F536-V619 WeakPolarHBondContact CA-O 3.47Å; H537-V619 PolarHBondContact N-O 2.77Å; H537-V619 VanDerWaalsContact N-O 3.1Å; V619-Q625 HydrophobicContact CG1-CB 4.04Å; V619-L627 HydrophobicContact CB-CD2 4.07Å; V619-L627 HydrophobicContact CG1-CD2 3.73Å | ||
| 620 | T | 92.1 | Very high | 86.8 | Confident | 15 Ų | 15 | 62 Ų | 62 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -118.4 | 148.8 | 177.2 | 68 | 0 | 0 | 0 | 0 | 111.6 | K534 V535 F536 S622 S623 | K534-T620 HydrophobicContact CB-CG2 4.47Å; K534-T620 HydrophobicContact CD-CG2 4.26Å; V535-T620 CarbonylContact O-C 3.56Å; V535-T620 WeakPolarHBondContact O-CA 3.29Å; V535-T620 WeakPolarHBondContact O-CB 3.06Å; F536-T620 HydrophobicContact CD1-CG2 3.6Å; F536-T620 HydrophobicContact CE1-CG2 3.56Å; F536-T620 HydrophobicContact CG-CG2 4.18Å; F536-T620 HydrophobicContact CZ-CG2 4.1Å; T620-S622 PolarHBondContact O-N 2.85Å; T620-S622 VanDerWaalsContact O-N 3.11Å; T620-S622 PolarHBondContact OG1-OG 3Å; T620-S622 VanDerWaalsContact OG1-OG 3.11Å; T620-S623 PolarHBondContact N-OG 3.01Å; T620-S623 PolarHBondContact O-N 3.23Å; T620-S623 PolarHBondContact O-OG 2.7Å; T620-S623 WeakPolarHBondContact OG1-CB 3.47Å; T620-S623 PolarHBondContact OG1-N 3.23Å; T620-S623 VanDerWaalsContact OG1-N 3.12Å; T620-S623 PolarHBondContact OG1-OG 2.87Å |
| 621 | K | 89.9 | Confident | 85.4 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -53.8 | -35.7 | 172.8 | -76.8 | -169.9 | 174.7 | -171.2 | 0 | 112.9 | D315 E503 V535 H537 | D315-K621 WeakPolarHBondContact OD2-CE 3.25Å; D315-K621 IonicContact OD2-NZ 3.72Å; D315-K621 PolarHBondContact OD2-NZ 3.3Å; E503-K621 IonicContact OE1-NZ 2.95Å; E503-K621 IonicContact OE2-NZ 3.12Å; E503-K621 PolarHBondContact OE2-NZ 2.76Å; V535-K621 HydrophobicContact CB-CB 4.24Å; V535-K621 HydrophobicContact CB-CD 4.12Å; V535-K621 HydrophobicContact CB-CG 4.11Å; V535-K621 HydrophobicContact CG1-CD 3.84Å; V535-K621 HydrophobicContact CG1-CG 4.02Å; V535-K621 PolarHBondContact O-N 3.39Å; H537-K621 WeakPolarHBondContact CE1-CG 3.3Å; H537-K621 VanDerWaalsContact ND1-CG 3.35Å; H537-K621 WeakPolarHBondContact ND1-CG 3.16Å; H537-K621 PolarHBondContact NE2-N 3.02Å |
| 622 | S | 84.9 | Confident | 83.4 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 51% | 0.51 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | -73.7 | -22.2 | 179.8 | 50 | 0 | 0 | 0 | 0 | 114.4 | T620 Q624 | T620-S622 PolarHBondContact O-N 2.85Å; T620-S622 VanDerWaalsContact O-N 3.11Å; T620-S622 PolarHBondContact OG1-OG 3Å; T620-S622 VanDerWaalsContact OG1-OG 3.11Å; S622-Q624 PolarHBondContact O-N 3.23Å |
| 623 | S | 84.7 | Confident | 82.8 | Confident | 47 Ų | 47 | 67.6 Ų | 67.6 | 33% | 0.329 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -76.1 | -10.8 | 178.7 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | T620 Q625 | T620-S623 PolarHBondContact N-OG 3.01Å; T620-S623 PolarHBondContact O-N 3.23Å; T620-S623 PolarHBondContact O-OG 2.7Å; T620-S623 WeakPolarHBondContact OG1-CB 3.47Å; T620-S623 PolarHBondContact OG1-N 3.23Å; T620-S623 VanDerWaalsContact OG1-N 3.12Å; T620-S623 PolarHBondContact OG1-OG 2.87Å; S623-Q625 PolarHBondContact O-N 3.01Å |
| 624 | Q | 75 | Confident | 82.1 | Confident | 184 Ų | 184 | 70.8 Ų | 70.8 | 86% | 0.86 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 20.2 | -178.7 | -59.8 | -175.2 | -10 | 0 | 0 | 113.8 | S622 | S622-Q624 PolarHBondContact O-N 3.23Š|
| 625 | Q | 80.6 | Confident | 81.3 | Confident | 118 Ų | 118 | 74.7 Ų | 74.7 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | trans | -70.3 | 142 | 175.2 | -70.8 | 173.7 | -6.4 | 0 | 0 | 108.8 | V619 S623 L627 | V619-Q625 HydrophobicContact CG1-CB 4.04Å; S623-Q625 PolarHBondContact O-N 3.01Å; Q625-L627 PolarHBondContact O-N 3.14Å | ||
| 626 | E | 79.6 | Confident | 80.4 | Confident | 164 Ų | 164 | 77.4 Ų | 77.4 | 77% | 0.766 | 42% | 0.419 | S | S | * | . | trans | -62.3 | 127.6 | 173.2 | -170.4 | 179.4 | -166.1 | 0 | 0 | 109.7 | K628 | E626-K628 PolarHBondContact O-N 3.47Å; E626-K628 VanDerWaalsContact O-N 3.14Å | ||
| 627 | L | 80.6 | Confident | 79.6 | Confident | 43 Ų | 43 | 78.6 Ų | 78.6 | 23% | 0.225 | 42% | 0.42 | C | S | . | . | trans | -75.4 | 103 | 174.7 | -71 | 174.6 | 0 | 0 | 0 | 109.2 | F539 Y557 V619 Q625 | F539-L627 HydrophobicContact CD2-CB 3.84Å; F539-L627 HydrophobicContact CD2-CD1 3.76Å; F539-L627 HydrophobicContact CD2-CG 4.44Å; F539-L627 HydrophobicContact CE2-CB 4.18Å; F539-L627 HydrophobicContact CE2-CD1 3.69Å; Y557-L627 HydrophobicContact CE2-CD1 4.06Å; V619-L627 HydrophobicContact CB-CD2 4.07Å; V619-L627 HydrophobicContact CG1-CD2 3.73Å; Q625-L627 PolarHBondContact O-N 3.14Å | ||
| 628 | K | 73.7 | Confident | 78.7 | Confident | 173 Ų | 173 | 83.7 Ų | 83.7 | 75% | 0.752 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 135.2 | 166.9 | -64.8 | -174.1 | 179.4 | -177.8 | 0 | 109.4 | E626 G630 | E626-K628 PolarHBondContact O-N 3.47Å; E626-K628 VanDerWaalsContact O-N 3.14Å; K628-G630 PolarHBondContact O-N 3.22Å |
| 629 | K | 68.2 | Low | 77.7 | Confident | 86 Ų | 86 | 81.6 Ų | 81.6 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 116.9 | 174.9 | -161 | -179.4 | -171 | -170 | 0 | 108.8 | F539 T541 S553 D554 | F539-K629 HydrophobicContact CB-CG 4.31Å; T541-K629 WeakPolarHBondContact OG1-CE 3.5Å; S553-K629 WeakPolarHBondContact O-CE 3.5Å; S553-K629 PolarHBondContact O-NZ 3.47Å; S553-K629 PolarHBondContact OG-NZ 3.44Å; D554-K629 IonicContact OD1-NZ 3.81Å; D554-K629 PolarHBondContact OD1-NZ 3.09Å |
| 630 | G | 65.1 | Low | 76.6 | Confident | 29 Ų | 29 | 85.8 Ų | 85.8 | 30% | 0.299 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 159.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F539 F540 T541 K628 | F539-G630 PolarHBondContact O-N 3.45Å; F540-G630 CarbonylContact C-O 3.57Å; F540-G630 WeakPolarHBondContact CA-O 3.46Å; T541-G630 PolarHBondContact N-O 3.47Å; T541-G630 VanDerWaalsContact N-O 3.09Å; K628-G630 PolarHBondContact O-N 3.22Å |
| 631 | S | 65.8 | Low | 75.3 | Confident | 99 Ų | 99 | 91.8 Ų | 91.8 | 69% | 0.692 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 157.2 | 150.6 | 57.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 632 | C | 55.2 | Low | 74 | Confident | 21 Ų | 21 | 94.3 Ų | 94.3 | 14% | 0.142 | 50% | 0.5 | C | S | . | . | trans | -52.6 | 0 | 164.8 | -65.8 | 0 | 0 | 0 | 0 | 110.7 | T541 H607 P608 | T541-C632 PolarHBondContact O-SG 3.17Å; H607-C632 PolarHBondContact CE1-O 3.25Å; P608-C632 HydrophobicContact CB-CB 4.48Å |
Retrieved 632 of 632 residues in 471.1 ms
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