| 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 | 38.6 | Very low | 37.8 | Very low | 241 Ų | 241 | 137.5 Ų | 137.5 | 100% | 1.187 | 81% | 0.808 | S | S | * | * | 0 | 107.7 | 0 | -146.3 | 137.6 | 171.1 | 0 | 0 | 104.5 | |||||
| 2 | S | 32.8 | Very low | 38.6 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -86.3 | 116.1 | -163.4 | -38.6 | 0 | 0 | 0 | 0 | 109.4 | F4 | S2-F4 PolarHBondContact O-N 3.19Š| ||
| 3 | D | 32.5 | Very low | 39.7 | Very low | 161 Ų | 161 | 125.8 Ų | 125.8 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -76.3 | 114.2 | 172.7 | -71.8 | -37.5 | 0 | 0 | 0 | 109.4 | ||||
| 4 | F | 33.7 | Very low | 40.8 | Very low | 190 Ų | 190 | 122.8 Ų | 122.8 | 83% | 0.833 | 74% | 0.738 | S | S | * | * | trans | -78.9 | 124.6 | 166.9 | -94.9 | -92.6 | 0 | 0 | 0 | 108.6 | S2 T6 | S2-F4 PolarHBondContact O-N 3.19Å; F4-T6 PolarHBondContact O-N 3.05Å | ||
| 5 | P | 38.3 | Very low | 41.8 | Very low | 118 Ų | 118 | 124.5 Ų | 124.5 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -75.2 | 110.3 | 164.8 | 28.8 | -26.6 | 0 | 0 | 0 | 107.8 | S7 | P5-S7 VanDerWaalsContact C-N 3.32Å; P5-S7 PolarHBondContact O-N 3.33Å | ||
| 6 | T | 35.6 | Very low | 43.2 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -65 | 92.9 | 164.2 | 42.3 | 0 | 0 | 0 | 0 | 108.3 | F4 S8 | F4-T6 PolarHBondContact O-N 3.05Å; T6-S8 PolarHBondContact O-N 3.49Å | ||
| 7 | S | 34.6 | Very low | 45.2 | Very low | 106 Ų | 106 | 120.4 Ų | 120.4 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -75.3 | 81.4 | 165.4 | 74.7 | 0 | 0 | 0 | 0 | 108.5 | P5 T9 | P5-S7 VanDerWaalsContact C-N 3.32Å; P5-S7 PolarHBondContact O-N 3.33Å; S7-T9 PolarHBondContact O-N 3.49Å; S7-T9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | S | 37.4 | Very low | 46.9 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -73 | 90.2 | 156.9 | 54.5 | 0 | 0 | 0 | 0 | 106.6 | T6 P10 | T6-S8 PolarHBondContact O-N 3.49Å; S8-P10 WeakPolarHBondContact O-CD 3.43Å | ||
| 9 | T | 38.4 | Very low | 48.4 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 119.4 | 160.8 | 24.3 | 0 | 0 | 0 | 0 | 107.1 | S7 T11 | S7-T9 PolarHBondContact O-N 3.49Å; S7-T9 VanDerWaalsContact O-N 3.08Å; T9-T11 PolarHBondContact O-N 2.92Å |
| 10 | P | 46.3 | Very low | 49.2 | Very low | 113 Ų | 113 | 114.5 Ų | 114.5 | 73% | 0.734 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 130 | 173.1 | 24 | -29.2 | 0 | 0 | 0 | 107.4 | S8 P12 | S8-P10 WeakPolarHBondContact O-CD 3.43Å; P10-P12 WeakPolarHBondContact O-CD 3.33Å |
| 11 | T | 47.6 | Very low | 49.7 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 121.7 | 165 | 27.1 | 0 | 0 | 0 | 0 | 107.6 | T9 A13 | T9-T11 PolarHBondContact O-N 2.92Å; T11-A13 PolarHBondContact O-N 3.31Å |
| 12 | P | 47.4 | Very low | 50.7 | Low | 67 Ų | 67 | 110 Ų | 110 | 44% | 0.435 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 138.5 | 179.2 | 23 | -30.5 | 0 | 0 | 0 | 109.3 | P10 | P10-P12 WeakPolarHBondContact O-CD 3.33Š|
| 13 | A | 52.9 | Low | 52.2 | Low | 56 Ų | 56 | 112.3 Ų | 112.3 | 46% | 0.463 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 152 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | T11 D15 H16 | T11-A13 PolarHBondContact O-N 3.31Å; A13-D15 PolarHBondContact O-N 2.92Å; A13-H16 PolarHBondContact O-N 3.31Å |
| 14 | P | 55.5 | Low | 53.9 | Low | 83 Ų | 83 | 105.7 Ų | 105.7 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -52.1 | -26.9 | -176.9 | 15.1 | -28.2 | 0 | 0 | 0 | 114.3 | H16 | P14-H16 PolarHBondContact O-N 2.89Å; P14-H16 VanDerWaalsContact O-N 3.07Å |
| 15 | D | 55.7 | Low | 55.8 | Low | 148 Ų | 148 | 98.4 Ų | 98.4 | 79% | 0.791 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -72 | 2.8 | -176.3 | -56.4 | -23.4 | 0 | 0 | 0 | 115.9 | A13 | A13-D15 PolarHBondContact O-N 2.92Š|
| 16 | H | 64.1 | Low | 57.9 | Low | 164 Ų | 164 | 96.3 Ų | 96.3 | 76% | 0.759 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -125.1 | 13.5 | -175.3 | -87.6 | -40.3 | 0 | 0 | 0 | 115.6 | A13 P14 | A13-H16 PolarHBondContact O-N 3.31Å; P14-H16 PolarHBondContact O-N 2.89Å; P14-H16 VanDerWaalsContact O-N 3.07Å |
| 17 | C | 76.7 | Confident | 60.5 | Low | 15 Ų | 15 | 94.4 Ų | 94.4 | 10% | 0.101 | 54% | 0.538 | C | S | . | . | trans | -81.1 | 129.7 | 174.1 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | Y19 Y300 C302 | C17-Y19 HydrophobicContact CB-CD2 4.43Å; C17-Y19 HydrophobicContact CB-CE1 4.44Å; C17-Y19 HydrophobicContact CB-CE2 3.67Å; C17-Y19 WeakPolarHBondContact O-CD2 3.4Å; C17-Y19 WeakPolarHBondContact O-CE2 3.49Å; C17-Y300 PolarHBondContact SG-OH 3.45Å; C17-C302 VanDerWaalsContact CA-SG 3.6Å; C17-C302 HydrophobicContact CB-CB 3.74Å; C17-C302 WeakPolarHBondContact CB-SG 3.31Å; C17-C302 VanDerWaalsContact SG-CA 3.51Å; C17-C302 WeakPolarHBondContact SG-CB 3.27Å; C17-C302 CovalentContact SG-SG 2.05Å; C17-C302 PolarHBondContact SG-SG 3.31Å | ||
| 18 | D | 76.9 | Confident | 63.2 | Low | 110 Ų | 110 | 93.8 Ų | 93.8 | 59% | 0.588 | 53% | 0.525 | S | S | * | . | trans | -84.8 | 113 | 175.9 | -176.3 | 0.1 | 0 | 0 | 0 | 110.3 | G20 Q306 | D18-G20 PolarHBondContact OD1-N 3.28Å; D18-Q306 PolarHBondContact O-NE2 2.63Å | ||
| 19 | Y | 75.3 | Confident | 65.9 | Low | 99 Ų | 99 | 88.9 Ų | 88.9 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | trans | -97.2 | 1.6 | -179.5 | -62.5 | -82.5 | 0 | 0 | 0 | 113.3 | C17 D21 D305 Q306 L309 | C17-Y19 HydrophobicContact CB-CD2 4.43Å; C17-Y19 HydrophobicContact CB-CE1 4.44Å; C17-Y19 HydrophobicContact CB-CE2 3.67Å; C17-Y19 WeakPolarHBondContact O-CD2 3.4Å; C17-Y19 WeakPolarHBondContact O-CE2 3.49Å; Y19-D21 VanDerWaalsContact C-N 3.26Å; Y19-D21 PolarHBondContact O-N 3.48Å; Y19-D305 VanDerWaalsContact CE1-OD2 3.3Å; Y19-D305 WeakPolarHBondContact CE1-OD2 3.39Å; Y19-D305 PolarHBondContact OH-OD2 2.92Å; Y19-Q306 HydrophobicContact CD1-CG 3.85Å; Y19-Q306 HydrophobicContact CE1-CG 3.86Å; Y19-L309 HydrophobicContact CD1-CD1 4.14Å; Y19-L309 HydrophobicContact CE1-CD1 3.68Å | ||
| 20 | G | 63.5 | Low | 68.7 | Low | 35 Ų | 35 | 83.7 Ų | 83.7 | 36% | 0.361 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -17.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D18 W22 Y23 | D18-G20 PolarHBondContact OD1-N 3.28Å; G20-W22 PolarHBondContact O-N 3.04Å; G20-Y23 VanDerWaalsContact O-CE2 3.22Å; G20-Y23 WeakPolarHBondContact O-CE2 3.43Å |
| 21 | D | 59.3 | Low | 71.1 | Confident | 151 Ų | 151 | 82 Ų | 82 | 81% | 0.807 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -11 | -175.5 | -77.2 | -25.1 | 0 | 0 | 0 | 114.3 | Y19 | Y19-D21 VanDerWaalsContact C-N 3.26Å; Y19-D21 PolarHBondContact O-N 3.48Å |
| 22 | W | 61.1 | Low | 73.4 | Confident | 110 Ų | 110 | 79 Ų | 79 | 42% | 0.417 | 43% | 0.429 | S | S | . | . | trans | -140.8 | 106.9 | -170.5 | -150.8 | 96 | 0 | 0 | 0 | 113.7 | G20 P24 A310 P313 Y314 | G20-W22 PolarHBondContact O-N 3.04Å; W22-P24 HydrophobicContact CZ3-CB 4.08Å; W22-A310 HydrophobicContact CD2-CB 3.41Å; W22-A310 VanDerWaalsContact CD2-CB 3.41Å; W22-A310 HydrophobicContact CE3-CB 3.56Å; W22-A310 HydrophobicContact CG-CB 4.06Å; W22-A310 VanDerWaalsContact CH2-C 3.41Å; W22-A310 HydrophobicContact CH2-CB 3.67Å; W22-A310 WeakPolarHBondContact CH2-O 3.47Å; W22-A310 HydrophobicContact CZ2-CB 3.47Å; W22-A310 VanDerWaalsContact CZ2-CB 3.47Å; W22-A310 WeakPolarHBondContact CZ2-O 3.2Å; W22-A310 HydrophobicContact CZ3-CB 3.74Å; W22-A310 WeakPolarHBondContact CZ3-O 3.46Å; W22-P313 HydrophobicContact CH2-CG 4.31Å; W22-P313 HydrophobicContact CZ3-CG 4.37Å; W22-Y314 AromaticContact CH2-CD2 3.8Å; W22-Y314 HydrophobicContact CH2-CD2 3.8Å; W22-Y314 AromaticContact CH2-CE2 3.26Å; W22-Y314 HydrophobicContact CH2-CE2 3.26Å; W22-Y314 HydrophobicContact CZ2-CD2 4.05Å; W22-Y314 AromaticContact CZ2-CE2 3.42Å; W22-Y314 HydrophobicContact CZ2-CE2 3.42Å; W22-Y314 VanDerWaalsContact CZ2-CE2 3.42Å | ||
| 23 | Y | 64 | Low | 75.8 | Confident | 161 Ų | 161 | 76.2 Ų | 76.2 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | trans | -110.3 | 134.5 | 171.7 | -64.6 | -83.4 | 0 | 0 | 0 | 110.7 | G20 | G20-Y23 VanDerWaalsContact O-CE2 3.22Å; G20-Y23 WeakPolarHBondContact O-CE2 3.43Å | ||
| 24 | P | 66.8 | Low | 77.9 | Confident | 21 Ų | 21 | 76.8 Ų | 76.8 | 14% | 0.136 | 41% | 0.408 | C | S | . | . | trans | -59.2 | 143.5 | 172.2 | 20.8 | -27.1 | 0 | 0 | 0 | 110.3 | W22 F26 Y92 P313 | W22-P24 HydrophobicContact CZ3-CB 4.08Å; P24-F26 HydrophobicContact CG-CE1 3.86Å; P24-F26 HydrophobicContact CG-CZ 3.94Å; P24-F26 WeakPolarHBondContact O-CD2 3.15Å; P24-F26 PolarHBondContact O-N 3.31Å; P24-Y92 HydrophobicContact CG-CE2 3.8Å; P24-P313 HydrophobicContact CB-CB 4.39Å; P24-P313 HydrophobicContact CB-CG 4.01Å | ||
| 25 | S | 74.5 | Confident | 79.9 | Confident | 37 Ų | 37 | 78 Ų | 78 | 26% | 0.259 | 41% | 0.409 | S | S | . | . | trans | -68.9 | 95 | 179 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | S27 I28 I29 Y314 | S25-S27 PolarHBondContact O-N 3.3Å; S25-I28 PolarHBondContact O-N 3.22Å; S25-I29 PolarHBondContact O-N 3.12Å; S25-Y314 PolarHBondContact OG-OH 3.08Å; S25-Y314 VanDerWaalsContact OG-OH 3.1Å | ||
| 26 | F | 83.1 | Confident | 81.9 | Confident | 75 Ų | 75 | 71 Ų | 71 | 33% | 0.329 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -2.4 | 178.8 | -60.8 | -59.9 | 0 | 0 | 0 | 114.4 | P24 P30 T88 Y92 | P24-F26 HydrophobicContact CG-CE1 3.86Å; P24-F26 HydrophobicContact CG-CZ 3.94Å; P24-F26 WeakPolarHBondContact O-CD2 3.15Å; P24-F26 PolarHBondContact O-N 3.31Å; F26-P30 WeakPolarHBondContact O-CG 3.34Å; F26-T88 VanDerWaalsContact CD1-O 3.23Å; F26-T88 WeakPolarHBondContact CD1-O 3.41Å; F26-Y92 HydrophobicContact CE1-CD2 4.13Å; F26-Y92 AromaticContact CE1-CE2 3.83Å; F26-Y92 HydrophobicContact CE1-CE2 3.83Å |
| 27 | S | 88.4 | Confident | 83.5 | Confident | 90 Ų | 90 | 66.1 Ų | 66.1 | 63% | 0.629 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -37.9 | 173.9 | -62.2 | 0 | 0 | 0 | 0 | 113.7 | S25 S31 | S25-S27 PolarHBondContact O-N 3.3Å; S27-S31 WeakPolarHBondContact O-CB 3.31Å; S27-S31 PolarHBondContact O-N 3.02Å; S27-S31 PolarHBondContact O-OG 2.98Å |
| 28 | I | 92.4 | Very high | 84.5 | Confident | 94 Ų | 94 | 70.4 Ų | 70.4 | 48% | 0.482 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -69.7 | -51.2 | -174.6 | -63.4 | 176.9 | 0 | 0 | 0 | 110.8 | S25 S31 I32 | S25-I28 PolarHBondContact O-N 3.22Å; I28-S31 WeakPolarHBondContact O-CB 3.24Å; I28-S31 PolarHBondContact O-N 2.78Å; I28-I32 HydrophobicContact CG2-CD1 3.79Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 2.92Å |
| 29 | I | 94.6 | Very high | 85.4 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | -176.5 | -65.4 | 163.6 | 0 | 0 | 0 | 111.5 | S25 S31 I32 Y33 T88 P313 Y314 C317 | S25-I29 PolarHBondContact O-N 3.12Å; I29-S31 VanDerWaalsContact C-N 3.3Å; I29-S31 PolarHBondContact O-N 2.89Å; I29-I32 PolarHBondContact O-N 3.19Å; I29-I32 VanDerWaalsContact O-N 3.14Å; I29-Y33 HydrophobicContact CG2-CD1 4.47Å; I29-Y33 HydrophobicContact CG2-CD2 4.18Å; I29-Y33 HydrophobicContact CG2-CE1 4Å; I29-Y33 HydrophobicContact CG2-CE2 3.66Å; I29-Y33 PolarHBondContact O-N 3.5Å; I29-T88 HydrophobicContact CB-CG2 4.25Å; I29-T88 HydrophobicContact CG2-CG2 4.14Å; I29-P313 HydrophobicContact CD1-CB 3.74Å; I29-Y314 HydrophobicContact CD1-CD1 4.12Å; I29-Y314 HydrophobicContact CD1-CE1 3.99Å; I29-Y314 HydrophobicContact CG1-CD1 4.23Å; I29-Y314 HydrophobicContact CG1-CE1 4.09Å; I29-C317 HydrophobicContact CG2-CB 4.21Å |
| 30 | P | 96.3 | Very high | 86.5 | Confident | 12 Ų | 12 | 63.1 Ų | 63.1 | 8% | 0.078 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.6 | -41 | 174.4 | -29 | 38.3 | 0 | 0 | 0 | 113.4 | F26 I32 Y33 V34 A85 T88 A89 | F26-P30 WeakPolarHBondContact O-CG 3.34Å; P30-I32 VanDerWaalsContact C-N 3.32Å; P30-I32 PolarHBondContact O-N 2.8Å; P30-Y33 PolarHBondContact O-N 3.37Å; P30-V34 WeakPolarHBondContact O-CG2 3.17Å; P30-V34 PolarHBondContact O-N 3.3Å; P30-A85 HydrophobicContact CB-CB 4.16Å; P30-A85 WeakPolarHBondContact CB-O 3.25Å; P30-A85 WeakPolarHBondContact CG-O 3.36Å; P30-T88 HydrophobicContact CG-CG2 4.04Å; P30-A89 HydrophobicContact CB-CB 4.13Å; P30-A89 HydrophobicContact CG-CB 3.81Å |
| 31 | S | 96.4 | Very high | 88.1 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 53% | 0.531 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 177 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | S27 I28 I29 V34 L35 | S27-S31 WeakPolarHBondContact O-CB 3.31Å; S27-S31 PolarHBondContact O-N 3.02Å; S27-S31 PolarHBondContact O-OG 2.98Å; I28-S31 WeakPolarHBondContact O-CB 3.24Å; I28-S31 PolarHBondContact O-N 2.78Å; I29-S31 VanDerWaalsContact C-N 3.3Å; I29-S31 PolarHBondContact O-N 2.89Å; S31-V34 PolarHBondContact O-N 3.49Å; S31-L35 WeakPolarHBondContact O-CB 3.44Å; S31-L35 PolarHBondContact O-N 3.4Å |
| 32 | I | 96.8 | Very high | 89.9 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 28% | 0.282 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 175.3 | -66 | 167.3 | 0 | 0 | 0 | 110.8 | I28 I29 P30 L35 A36 C317 L321 | I28-I32 HydrophobicContact CG2-CD1 3.79Å; I28-I32 HydrophobicContact CG2-CG1 4.49Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 2.92Å; I29-I32 PolarHBondContact O-N 3.19Å; I29-I32 VanDerWaalsContact O-N 3.14Å; P30-I32 VanDerWaalsContact C-N 3.32Å; P30-I32 PolarHBondContact O-N 2.8Å; I32-L35 PolarHBondContact O-N 2.95Å; I32-A36 VanDerWaalsContact O-CB 3.24Å; I32-A36 WeakPolarHBondContact O-CB 3.29Å; I32-A36 PolarHBondContact O-N 3Å; I32-C317 VanDerWaalsContact CG2-SG 3.54Å; I32-L321 HydrophobicContact CG2-CD1 4.05Å; I32-L321 HydrophobicContact CG2-CD2 3.66Å; I32-L321 HydrophobicContact CG2-CG 4.1Å |
| 33 | Y | 97.4 | Very high | 91.5 | Very high | 8 Ų | 8 | 57.1 Ų | 57.1 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 176.4 | -70.5 | -11.6 | 0 | 0 | 0 | 112.9 | I29 P30 A36 F37 L81 W84 A85 C317 Y320 | I29-Y33 HydrophobicContact CG2-CD1 4.47Å; I29-Y33 HydrophobicContact CG2-CD2 4.18Å; I29-Y33 HydrophobicContact CG2-CE1 4Å; I29-Y33 HydrophobicContact CG2-CE2 3.66Å; I29-Y33 PolarHBondContact O-N 3.5Å; P30-Y33 PolarHBondContact O-N 3.37Å; Y33-A36 PolarHBondContact O-N 3.15Å; Y33-F37 WeakPolarHBondContact O-CB 3.41Å; Y33-F37 PolarHBondContact O-N 3.43Å; Y33-L81 HydrophobicContact CD1-CD2 4.25Å; Y33-L81 HydrophobicContact CG-CD2 4.3Å; Y33-W84 HydrophobicContact CD2-CB 4.07Å; Y33-W84 HydrophobicContact CE2-CB 4.04Å; Y33-A85 HydrophobicContact CD2-CB 4.22Å; Y33-C317 HydrophobicContact CE1-CB 4Å; Y33-Y320 HydrophobicContact CD1-CD2 4.3Å; Y33-Y320 AromaticContact CE1-CD2 3.53Å; Y33-Y320 HydrophobicContact CE1-CD2 3.53Å; Y33-Y320 HydrophobicContact CE1-CE2 4.38Å; Y33-Y320 HydrophobicContact CE1-CG 4.28Å; Y33-Y320 HydrophobicContact CE2-CD2 4.34Å; Y33-Y320 HydrophobicContact CE2-CE2 4.47Å; Y33-Y320 AromaticContact CZ-CD2 3.56Å; Y33-Y320 AromaticContact CZ-CE2 3.96Å |
| 34 | V | 97.8 | Very high | 93.1 | Very high | 68 Ų | 68 | 49.5 Ų | 49.5 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -43.6 | 175.8 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | P30 S31 F37 L38 A85 | P30-V34 WeakPolarHBondContact O-CG2 3.17Å; P30-V34 PolarHBondContact O-N 3.3Å; S31-V34 PolarHBondContact O-N 3.49Å; V34-F37 WeakPolarHBondContact O-CB 3.5Å; V34-F37 PolarHBondContact O-N 2.94Å; V34-L38 HydrophobicContact CG1-CD1 4.33Å; V34-L38 WeakPolarHBondContact O-CG 3.16Å; V34-L38 PolarHBondContact O-N 3.49Å; V34-A85 HydrophobicContact CG2-CB 4.11Å |
| 35 | L | 97.1 | Very high | 94.5 | Very high | 107 Ų | 107 | 51.3 Ų | 51.3 | 56% | 0.56 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.9 | -43.9 | 176.2 | -178.7 | 63.3 | 0 | 0 | 0 | 111.8 | S31 I32 F37 L38 V39 | S31-L35 WeakPolarHBondContact O-CB 3.44Å; S31-L35 PolarHBondContact O-N 3.4Å; I32-L35 PolarHBondContact O-N 2.95Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 3.21Å; L35-L38 PolarHBondContact O-N 2.87Å; L35-V39 HydrophobicContact CD1-CG2 3.82Å; L35-V39 HydrophobicContact CG-CG2 4.31Å; L35-V39 WeakPolarHBondContact O-CB 3.5Å; L35-V39 WeakPolarHBondContact O-CG2 3.21Å; L35-V39 PolarHBondContact O-N 3.24Å |
| 36 | A | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.025 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I32 Y33 G40 L81 L321 C324 | I32-A36 VanDerWaalsContact O-CB 3.24Å; I32-A36 WeakPolarHBondContact O-CB 3.29Å; I32-A36 PolarHBondContact O-N 3Å; Y33-A36 PolarHBondContact O-N 3.15Å; A36-G40 WeakPolarHBondContact O-CA 3.2Å; A36-G40 PolarHBondContact O-N 3.46Å; A36-L81 HydrophobicContact CB-CD1 3.8Å; A36-L321 HydrophobicContact CB-CD2 3.85Å; A36-C324 HydrophobicContact CB-CB 4.27Å |
| 37 | F | 98.2 | Very high | 96 | Very high | 61 Ų | 61 | 48.7 Ų | 48.7 | 27% | 0.268 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.4 | -53.4 | 171.3 | 165.4 | -109 | 0 | 0 | 0 | 111.2 | Y33 V34 L35 C41 L78 L81 P82 | Y33-F37 WeakPolarHBondContact O-CB 3.41Å; Y33-F37 PolarHBondContact O-N 3.43Å; V34-F37 WeakPolarHBondContact O-CB 3.5Å; V34-F37 PolarHBondContact O-N 2.94Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 3.21Å; F37-C41 VanDerWaalsContact CD2-SG 3.52Å; F37-C41 VanDerWaalsContact CE2-SG 3.57Å; F37-C41 WeakPolarHBondContact O-CB 3.39Å; F37-C41 PolarHBondContact O-N 3.04Å; F37-C41 PolarHBondContact O-SG 3.37Å; F37-L78 WeakPolarHBondContact CD2-O 3.32Å; F37-L81 HydrophobicContact CB-CB 4.27Å; F37-P82 HydrophobicContact CB-CG 4.45Å; F37-P82 HydrophobicContact CD1-CG 4.08Å; F37-P82 HydrophobicContact CD2-CG 3.99Å; F37-P82 HydrophobicContact CE1-CG 4.32Å; F37-P82 HydrophobicContact CE2-CG 4.23Å; F37-P82 HydrophobicContact CG-CG 3.9Å; F37-P82 HydrophobicContact CZ-CG 4.39Å |
| 38 | L | 97.6 | Very high | 96.3 | Very high | 104 Ų | 104 | 45.8 Ų | 45.8 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.6 | -53.6 | -176.9 | -66.7 | 174.7 | 0 | 0 | 0 | 112.5 | V34 L35 L42 | V34-L38 HydrophobicContact CG1-CD1 4.33Å; V34-L38 WeakPolarHBondContact O-CG 3.16Å; V34-L38 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 2.87Å; L38-L42 WeakPolarHBondContact O-CB 3.27Å; L38-L42 PolarHBondContact O-N 3.05Å |
| 39 | V | 96.3 | Very high | 96.3 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 34% | 0.339 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69 | -43.1 | -177.8 | 176.8 | 0 | 0 | 0 | 0 | 110.6 | L35 G43 L328 | L35-V39 HydrophobicContact CD1-CG2 3.82Å; L35-V39 HydrophobicContact CG-CG2 4.31Å; L35-V39 WeakPolarHBondContact O-CB 3.5Å; L35-V39 WeakPolarHBondContact O-CG2 3.21Å; L35-V39 PolarHBondContact O-N 3.24Å; V39-G43 PolarHBondContact O-N 3.49Å; V39-L328 HydrophobicContact CG1-CD2 4.31Å |
| 40 | G | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.4 | -45.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A36 G43 N44 | A36-G40 WeakPolarHBondContact O-CA 3.2Å; A36-G40 PolarHBondContact O-N 3.46Å; G40-G43 PolarHBondContact O-N 3.41Å; G40-N44 VanDerWaalsContact O-CB 3.26Å; G40-N44 WeakPolarHBondContact O-CB 3.36Å; G40-N44 PolarHBondContact O-N 3.44Å; G40-N44 PolarHBondContact O-ND2 3.42Å |
| 41 | C | 97.8 | Very high | 95.8 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 14% | 0.142 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -49.3 | 179.1 | -75.4 | 0 | 0 | 0 | 0 | 110.6 | F37 G43 N44 S45 L75 | F37-C41 VanDerWaalsContact CD2-SG 3.52Å; F37-C41 VanDerWaalsContact CE2-SG 3.57Å; F37-C41 WeakPolarHBondContact O-CB 3.39Å; F37-C41 PolarHBondContact O-N 3.04Å; F37-C41 PolarHBondContact O-SG 3.37Å; C41-G43 PolarHBondContact O-N 2.87Å; C41-N44 PolarHBondContact O-N 2.95Å; C41-S45 VanDerWaalsContact O-CB 3.24Å; C41-S45 WeakPolarHBondContact O-CB 3.32Å; C41-S45 PolarHBondContact O-N 3.32Å; C41-S45 PolarHBondContact O-OG 3.07Å; C41-L75 HydrophobicContact CB-CD2 4.3Å |
| 42 | L | 96.4 | Very high | 95.5 | Very high | 138 Ų | 138 | 44.7 Ų | 44.7 | 72% | 0.723 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -57.1 | -49.2 | 177.1 | -174.9 | 111.2 | 0 | 0 | 0 | 111.7 | L38 L46 | L38-L42 WeakPolarHBondContact O-CB 3.27Å; L38-L42 PolarHBondContact O-N 3.05Å; L42-L46 PolarHBondContact O-N 3.22Å; L42-L46 VanDerWaalsContact O-N 3.15Å |
| 43 | G | 95.7 | Very high | 95 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.8 | -48.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | V39 G40 C41 L46 V47 | V39-G43 PolarHBondContact O-N 3.49Å; G40-G43 PolarHBondContact O-N 3.41Å; C41-G43 PolarHBondContact O-N 2.87Å; G43-L46 PolarHBondContact O-N 3.47Å; G43-V47 WeakPolarHBondContact O-CG2 3.26Å; G43-V47 PolarHBondContact O-N 2.88Å |
| 44 | N | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -72.7 | -31.8 | -177.9 | -73.8 | -64.2 | 0 | 0 | 0 | 112.2 | G40 C41 L46 V47 L48 A71 L75 L78 S323 P327 | G40-N44 VanDerWaalsContact O-CB 3.26Å; G40-N44 WeakPolarHBondContact O-CB 3.36Å; G40-N44 PolarHBondContact O-N 3.44Å; G40-N44 PolarHBondContact O-ND2 3.42Å; C41-N44 PolarHBondContact O-N 2.95Å; N44-L46 VanDerWaalsContact C-N 3.34Å; N44-V47 PolarHBondContact O-N 3.43Å; N44-L48 WeakPolarHBondContact O-CB 3.14Å; N44-L48 PolarHBondContact O-N 3.25Å; N44-A71 HydrophobicContact CB-CB 4.33Å; N44-L75 HydrophobicContact CB-CD1 4.31Å; N44-L75 HydrophobicContact CB-CD2 3.93Å; N44-L75 HydrophobicContact CB-CG 3.71Å; N44-L78 WeakPolarHBondContact ND2-CD1 3.43Å; N44-S323 PolarHBondContact ND2-O 3.5Å; N44-P327 HydrophobicContact CB-CG 4.35Å; N44-P327 WeakPolarHBondContact OD1-CG 3.18Å |
| 45 | S | 96.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 46.1 Ų | 46.1 | 41% | 0.413 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -42.3 | 170.2 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | C41 L48 W49 | C41-S45 VanDerWaalsContact O-CB 3.24Å; C41-S45 WeakPolarHBondContact O-CB 3.32Å; C41-S45 PolarHBondContact O-N 3.32Å; C41-S45 PolarHBondContact O-OG 3.07Å; S45-L48 PolarHBondContact O-N 2.82Å; S45-W49 VanDerWaalsContact O-CB 3.31Å; S45-W49 WeakPolarHBondContact O-CB 3.35Å; S45-W49 PolarHBondContact O-N 2.97Å |
| 46 | L | 94.5 | Very high | 92.8 | Very high | 57 Ų | 57 | 47.8 Ų | 47.8 | 30% | 0.298 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -46.1 | 175 | 179.4 | 63.6 | 0 | 0 | 0 | 111.7 | L42 G43 N44 W49 V50 F337 | L42-L46 PolarHBondContact O-N 3.22Å; L42-L46 VanDerWaalsContact O-N 3.15Å; G43-L46 PolarHBondContact O-N 3.47Å; N44-L46 VanDerWaalsContact C-N 3.34Å; L46-W49 HydrophobicContact CD1-CE3 4.09Å; L46-W49 HydrophobicContact CD1-CZ3 4.36Å; L46-W49 PolarHBondContact O-N 3.16Å; L46-V50 HydrophobicContact CD1-CG2 4.07Å; L46-V50 WeakPolarHBondContact O-CB 3.47Å; L46-V50 VanDerWaalsContact O-CG2 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.26Å; L46-V50 PolarHBondContact O-N 2.87Å; L46-F337 HydrophobicContact CD2-CZ 4.49Å |
| 47 | V | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.8 | -50.9 | 176.4 | 172.1 | 0 | 0 | 0 | 0 | 110.4 | G43 N44 W49 V50 Y51 I67 A71 P327 Y330 F337 | G43-V47 WeakPolarHBondContact O-CG2 3.26Å; G43-V47 PolarHBondContact O-N 2.88Å; N44-V47 PolarHBondContact O-N 3.43Å; V47-W49 VanDerWaalsContact C-N 3.34Å; V47-W49 PolarHBondContact O-N 2.98Å; V47-V50 PolarHBondContact O-N 2.9Å; V47-Y51 HydrophobicContact CG1-CD2 3.84Å; V47-Y51 HydrophobicContact CG1-CE2 4.29Å; V47-Y51 WeakPolarHBondContact O-CB 3.42Å; V47-Y51 WeakPolarHBondContact O-CD2 3.38Å; V47-Y51 PolarHBondContact O-N 3.38Å; V47-I67 HydrophobicContact CG1-CG2 3.86Å; V47-A71 HydrophobicContact CB-CB 4.17Å; V47-A71 HydrophobicContact CG1-CB 3.81Å; V47-P327 HydrophobicContact CG2-CB 4.2Å; V47-P327 HydrophobicContact CG2-CG 4.28Å; V47-Y330 HydrophobicContact CG1-CD2 4.3Å; V47-Y330 HydrophobicContact CG1-CE2 4.09Å; V47-Y330 HydrophobicContact CG2-CD2 3.84Å; V47-Y330 HydrophobicContact CG2-CE2 4.36Å; V47-F337 HydrophobicContact CG2-CE2 3.84Å; V47-F337 HydrophobicContact CG2-CZ 3.71Å |
| 48 | L | 95.1 | Very high | 90.3 | Very high | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56.9 | -49 | -179.9 | -177.2 | 63.4 | 0 | 0 | 0 | 110.7 | N44 S45 Y51 L52 A68 A71 L72 L75 | N44-L48 WeakPolarHBondContact O-CB 3.14Å; N44-L48 PolarHBondContact O-N 3.25Å; S45-L48 PolarHBondContact O-N 2.82Å; L48-Y51 PolarHBondContact O-N 3.26Å; L48-L52 HydrophobicContact CD1-CD1 3.69Å; L48-L52 HydrophobicContact CD1-CD2 4.37Å; L48-L52 HydrophobicContact CD1-CG 3.84Å; L48-L52 HydrophobicContact CD2-CD1 4.46Å; L48-L52 HydrophobicContact CG-CD1 3.71Å; L48-L52 HydrophobicContact CG-CG 4.23Å; L48-L52 VanDerWaalsContact O-CB 3.27Å; L48-L52 WeakPolarHBondContact O-CB 3.33Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 3.06Å; L48-A68 HydrophobicContact CD1-CB 4Å; L48-A68 WeakPolarHBondContact CD1-O 3.47Å; L48-A71 HydrophobicContact CB-CB 4.11Å; L48-L72 HydrophobicContact CD1-CB 4.3Å; L48-L72 HydrophobicContact CD2-CD1 4.38Å; L48-L75 HydrophobicContact CB-CD1 4.38Å; L48-L75 HydrophobicContact CD2-CD1 3.73Å |
| 49 | W | 92.6 | Very high | 88.9 | Confident | 75 Ų | 75 | 63.3 Ų | 63.3 | 28% | 0.284 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 179.9 | 179.4 | 68.5 | 0 | 0 | 0 | 113.3 | S45 L46 V47 Y51 R53 T344 W348 | S45-W49 VanDerWaalsContact O-CB 3.31Å; S45-W49 WeakPolarHBondContact O-CB 3.35Å; S45-W49 PolarHBondContact O-N 2.97Å; L46-W49 HydrophobicContact CD1-CE3 4.09Å; L46-W49 HydrophobicContact CD1-CZ3 4.36Å; L46-W49 PolarHBondContact O-N 3.16Å; V47-W49 VanDerWaalsContact C-N 3.34Å; V47-W49 PolarHBondContact O-N 2.98Å; W49-Y51 PolarHBondContact O-N 3.23Å; W49-R53 VanDerWaalsContact CE2-CZ 3.5Å; W49-R53 VanDerWaalsContact CZ2-NH1 3.25Å; W49-R53 VanDerWaalsContact NE1-NE 3.2Å; W49-R53 WeakPolarHBondContact O-CG 3.48Å; W49-R53 PolarHBondContact O-N 3.32Å; W49-T344 HydrophobicContact CE3-CG2 4.04Å; W49-T344 HydrophobicContact CH2-CG2 3.07Å; W49-T344 HydrophobicContact CZ2-CG2 3.64Å; W49-T344 HydrophobicContact CZ3-CG2 3.28Å; W49-W348 AromaticContact CH2-NE1 3.66Å; W49-W348 AromaticContact CZ2-NE1 3.56Å |
| 50 | V | 91 | Very high | 87.8 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | -179.8 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | L46 V47 Q54 R340 | L46-V50 HydrophobicContact CD1-CG2 4.07Å; L46-V50 WeakPolarHBondContact O-CB 3.47Å; L46-V50 VanDerWaalsContact O-CG2 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.26Å; L46-V50 PolarHBondContact O-N 2.87Å; V47-V50 PolarHBondContact O-N 2.9Å; V50-Q54 VanDerWaalsContact CG1-NE2 3.27Å; V50-Q54 WeakPolarHBondContact O-CG 3.29Å; V50-Q54 PolarHBondContact O-N 3.49Å; V50-Q54 PolarHBondContact O-NE2 3.24Å; V50-R340 HydrophobicContact CG1-CB 3.77Å |
| 51 | Y | 90.1 | Very high | 86.9 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -82 | -31.5 | -175.4 | -82.8 | -81.6 | 0 | 0 | 0 | 113.7 | V47 L48 W49 Q54 A55 Y64 I67 D334 F337 R340 | V47-Y51 HydrophobicContact CG1-CD2 3.84Å; V47-Y51 HydrophobicContact CG1-CE2 4.29Å; V47-Y51 WeakPolarHBondContact O-CB 3.42Å; V47-Y51 WeakPolarHBondContact O-CD2 3.38Å; V47-Y51 PolarHBondContact O-N 3.38Å; L48-Y51 PolarHBondContact O-N 3.26Å; W49-Y51 PolarHBondContact O-N 3.23Å; Y51-Q54 PolarHBondContact O-N 3.36Å; Y51-A55 VanDerWaalsContact O-CB 3.26Å; Y51-A55 WeakPolarHBondContact O-CB 3.2Å; Y51-A55 PolarHBondContact O-N 3.11Å; Y51-Y64 AromaticContact CD1-CD1 3.69Å; Y51-Y64 HydrophobicContact CD1-CD1 3.69Å; Y51-Y64 HydrophobicContact CD1-CE1 4.37Å; Y51-Y64 AromaticContact CD1-CG 3.81Å; Y51-Y64 HydrophobicContact CD1-CG 3.81Å; Y51-Y64 AromaticContact CE1-CD1 3.49Å; Y51-Y64 HydrophobicContact CE1-CD1 3.49Å; Y51-Y64 VanDerWaalsContact CE1-CD1 3.49Å; Y51-Y64 AromaticContact CE1-CE1 3.82Å; Y51-Y64 HydrophobicContact CE1-CE1 3.82Å; Y51-Y64 HydrophobicContact CE1-CG 4.09Å; Y51-I67 HydrophobicContact CD1-CB 4.32Å; Y51-I67 HydrophobicContact CD1-CD1 4.39Å; Y51-I67 HydrophobicContact CD1-CG2 4.21Å; Y51-I67 HydrophobicContact CD2-CG2 3.71Å; Y51-I67 HydrophobicContact CE1-CB 4.47Å; Y51-I67 HydrophobicContact CE1-CD1 3.78Å; Y51-I67 HydrophobicContact CE1-CG2 4.28Å; Y51-I67 HydrophobicContact CE2-CG2 3.79Å; Y51-I67 HydrophobicContact CG-CB 4.4Å; Y51-I67 HydrophobicContact CG-CG2 3.92Å; Y51-D334 PolarHBondContact OH-OD2 2.84Å; Y51-F337 AromaticContact CE2-CD2 3.7Å; Y51-F337 HydrophobicContact CE2-CD2 3.7Å; Y51-F337 HydrophobicContact CE2-CE2 4.17Å; Y51-R340 PolarHBondContact OH-NH1 3.35Å |
| 52 | L | 89.3 | Confident | 86.1 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 43% | 0.429 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -49.9 | 171.8 | -75.6 | 176.3 | 0 | 0 | 0 | 111.2 | L48 Q54 A55 D56 A68 | L48-L52 HydrophobicContact CD1-CD1 3.69Å; L48-L52 HydrophobicContact CD1-CD2 4.37Å; L48-L52 HydrophobicContact CD1-CG 3.84Å; L48-L52 HydrophobicContact CD2-CD1 4.46Å; L48-L52 HydrophobicContact CG-CD1 3.71Å; L48-L52 HydrophobicContact CG-CG 4.23Å; L48-L52 VanDerWaalsContact O-CB 3.27Å; L48-L52 WeakPolarHBondContact O-CB 3.33Å; L48-L52 WeakPolarHBondContact O-CG 3.38Å; L48-L52 PolarHBondContact O-N 3.06Å; L52-Q54 PolarHBondContact O-N 3.4Å; L52-Q54 VanDerWaalsContact O-N 3.08Å; L52-A55 PolarHBondContact O-N 3.5Å; L52-D56 PolarHBondContact O-N 2.97Å; L52-D56 VanDerWaalsContact O-N 3.12Å; L52-A68 HydrophobicContact CD2-CB 4.01Å; L52-A68 HydrophobicContact CG-CB 4.27Å |
| 53 | R | 86.8 | Confident | 85.4 | Confident | 120 Ų | 120 | 56 Ų | 56 | 45% | 0.453 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.5 | -30.1 | 176.2 | -76.3 | -174.8 | 168.3 | -164.8 | -2.3 | 113.4 | W49 | W49-R53 VanDerWaalsContact CE2-CZ 3.5Å; W49-R53 VanDerWaalsContact CZ2-NH1 3.25Å; W49-R53 VanDerWaalsContact NE1-NE 3.2Å; W49-R53 WeakPolarHBondContact O-CG 3.48Å; W49-R53 PolarHBondContact O-N 3.32Å |
| 54 | Q | 83.5 | Confident | 85.1 | Confident | 21 Ų | 21 | 56.9 Ų | 56.9 | 10% | 0.098 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -86.5 | -32.5 | 178.2 | -73.5 | 167.7 | 31.3 | 0 | 0 | 112.9 | V50 Y51 L52 D56 R57 A60 Y64 R340 | V50-Q54 VanDerWaalsContact CG1-NE2 3.27Å; V50-Q54 WeakPolarHBondContact O-CG 3.29Å; V50-Q54 PolarHBondContact O-N 3.49Å; V50-Q54 PolarHBondContact O-NE2 3.24Å; Y51-Q54 PolarHBondContact O-N 3.36Å; L52-Q54 PolarHBondContact O-N 3.4Å; L52-Q54 VanDerWaalsContact O-N 3.08Å; Q54-D56 VanDerWaalsContact C-N 3.28Å; Q54-R57 WeakPolarHBondContact O-CB 3.26Å; Q54-R57 PolarHBondContact O-N 3.33Å; Q54-A60 WeakPolarHBondContact O-CB 3.43Å; Q54-Y64 HydrophobicContact CB-CD2 3.78Å; Q54-Y64 HydrophobicContact CB-CE2 4.02Å; Q54-R340 VanDerWaalsContact NE2-CG 3.26Å; Q54-R340 VanDerWaalsContact OE1-CZ 3.24Å; Q54-R340 VanDerWaalsContact OE1-NE 3.16Å |
| 55 | A | 82.2 | Confident | 84.7 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 17% | 0.174 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65 | -32.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y51 L52 R57 A60 | Y51-A55 VanDerWaalsContact O-CB 3.26Å; Y51-A55 WeakPolarHBondContact O-CB 3.2Å; Y51-A55 PolarHBondContact O-N 3.11Å; L52-A55 PolarHBondContact O-N 3.5Å; A55-R57 PolarHBondContact O-N 3.3Å; A55-A60 WeakPolarHBondContact O-CB 3.46Å |
| 56 | D | 80 | Confident | 84.4 | Confident | 141 Ų | 141 | 55.8 Ų | 55.8 | 75% | 0.754 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -11.2 | 177.8 | -70.1 | -13.5 | 0 | 0 | 0 | 113.9 | L52 Q54 | L52-D56 PolarHBondContact O-N 2.97Å; L52-D56 VanDerWaalsContact O-N 3.12Å; Q54-D56 VanDerWaalsContact C-N 3.28Å |
| 57 | R | 79.4 | Confident | 84.3 | Confident | 180 Ų | 180 | 53.6 Ų | 53.6 | 68% | 0.679 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -73.3 | 136.7 | 177.5 | -65.6 | -176.3 | 172 | 176.8 | -3.6 | 110.4 | Q54 A55 H59 A60 | Q54-R57 WeakPolarHBondContact O-CB 3.26Å; Q54-R57 PolarHBondContact O-N 3.33Å; A55-R57 PolarHBondContact O-N 3.3Å; R57-H59 PolarHBondContact O-N 3.19Å; R57-A60 WeakPolarHBondContact O-CB 3.49Å; R57-A60 PolarHBondContact O-N 2.89Å |
| 58 | Q | 62.9 | Low | 84.2 | Confident | 184 Ų | 184 | 53.9 Ų | 53.9 | 86% | 0.86 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -15.8 | -174.5 | -157.8 | 169.8 | 18.7 | 0 | 0 | 115.8 | ||
| 59 | H | 68.3 | Low | 84.1 | Confident | 130 Ų | 130 | 52.8 Ų | 52.8 | 60% | 0.602 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 22.4 | 180 | -63.3 | 90.6 | 0 | 0 | 0 | 113.7 | R57 | R57-H59 PolarHBondContact O-N 3.19Š|
| 60 | A | 74.6 | Confident | 84.2 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | trans | -62.4 | 140.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q54 A55 R57 Y64 R143 | Q54-A60 WeakPolarHBondContact O-CB 3.43Å; A55-A60 WeakPolarHBondContact O-CB 3.46Å; R57-A60 WeakPolarHBondContact O-CB 3.49Å; R57-A60 PolarHBondContact O-N 2.89Å; A60-Y64 HydrophobicContact CB-CD2 4.2Å; A60-R143 PolarHBondContact O-NH1 3.49Å | ||
| 61 | P | 77.6 | Confident | 84.5 | Confident | 27 Ų | 27 | 49.5 Ų | 49.5 | 18% | 0.175 | 24% | 0.241 | C | C | . | . | trans | -62.5 | 138.3 | 165.3 | -18.3 | 30.9 | 0 | 0 | 0 | 111.1 | S63 Y64 | P61-S63 PolarHBondContact O-N 3.42Å; P61-S63 VanDerWaalsContact O-N 3.07Å; P61-Y64 VanDerWaalsContact CD-CE2 3.43Å; P61-Y64 HydrophobicContact CG-CD2 4.44Å; P61-Y64 HydrophobicContact CG-CE1 4.17Å; P61-Y64 HydrophobicContact CG-CE2 4.07Å; P61-Y64 WeakPolarHBondContact O-CB 3.41Å; P61-Y64 PolarHBondContact O-N 3.01Å | ||
| 62 | S | 79.9 | Confident | 84.8 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 10% | 0.098 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.6 | -24 | 174.6 | 21 | 0 | 0 | 0 | 0 | 113.5 | Y64 S65 L66 E125 R134 | S62-Y64 PolarHBondContact O-N 3.29Å; S62-S65 PolarHBondContact O-N 2.92Å; S62-L66 PolarHBondContact O-N 3.32Å; S62-E125 WeakPolarHBondContact CB-OE1 3.41Å; S62-E125 PolarHBondContact OG-OE1 3.48Å; S62-R134 PolarHBondContact OG-NH2 3.06Å |
| 63 | S | 83.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -27.2 | 173.1 | -42.1 | 0 | 0 | 0 | 0 | 113.8 | P61 L66 I67 E125 R126 | P61-S63 PolarHBondContact O-N 3.42Å; P61-S63 VanDerWaalsContact O-N 3.07Å; S63-L66 PolarHBondContact O-N 2.82Å; S63-I67 WeakPolarHBondContact O-CD1 3.35Å; S63-I67 WeakPolarHBondContact O-CG1 3.35Å; S63-I67 PolarHBondContact O-N 3.01Å; S63-E125 WeakPolarHBondContact CA-OE2 3.22Å; S63-E125 WeakPolarHBondContact CB-OE2 3.35Å; S63-E125 PolarHBondContact N-OE2 2.97Å; S63-E125 VanDerWaalsContact N-OE2 3.15Å; S63-E125 PolarHBondContact OG-OE2 3.31Å; S63-R126 VanDerWaalsContact OG-CZ 3.3Å; S63-R126 PolarHBondContact OG-NH1 2.99Å; S63-R126 PolarHBondContact OG-NH2 2.83Å |
| 64 | Y | 87.8 | Confident | 85.7 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 11% | 0.11 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.3 | -42.8 | 179.8 | -69.2 | -5.9 | 0 | 0 | 0 | 111.6 | Y51 Q54 A60 P61 S62 L66 I67 A68 R340 | Y51-Y64 AromaticContact CD1-CD1 3.69Å; Y51-Y64 HydrophobicContact CD1-CD1 3.69Å; Y51-Y64 HydrophobicContact CD1-CE1 4.37Å; Y51-Y64 AromaticContact CD1-CG 3.81Å; Y51-Y64 HydrophobicContact CD1-CG 3.81Å; Y51-Y64 AromaticContact CE1-CD1 3.49Å; Y51-Y64 HydrophobicContact CE1-CD1 3.49Å; Y51-Y64 VanDerWaalsContact CE1-CD1 3.49Å; Y51-Y64 AromaticContact CE1-CE1 3.82Å; Y51-Y64 HydrophobicContact CE1-CE1 3.82Å; Y51-Y64 HydrophobicContact CE1-CG 4.09Å; Q54-Y64 HydrophobicContact CB-CD2 3.78Å; Q54-Y64 HydrophobicContact CB-CE2 4.02Å; A60-Y64 HydrophobicContact CB-CD2 4.2Å; P61-Y64 VanDerWaalsContact CD-CE2 3.43Å; P61-Y64 HydrophobicContact CG-CD2 4.44Å; P61-Y64 HydrophobicContact CG-CE1 4.17Å; P61-Y64 HydrophobicContact CG-CE2 4.07Å; P61-Y64 WeakPolarHBondContact O-CB 3.41Å; P61-Y64 PolarHBondContact O-N 3.01Å; S62-Y64 PolarHBondContact O-N 3.29Å; Y64-L66 VanDerWaalsContact C-N 3.31Å; Y64-L66 PolarHBondContact O-N 3.39Å; Y64-I67 PolarHBondContact O-N 3.33Å; Y64-A68 WeakPolarHBondContact O-CB 3.42Å; Y64-A68 PolarHBondContact O-N 2.88Å; Y64-R340 VanDerWaalsContact OH-CZ 3.28Å; Y64-R340 PolarHBondContact OH-NH1 2.97Å; Y64-R340 PolarHBondContact OH-NH2 3.46Å |
| 65 | S | 89.7 | Confident | 86.3 | Confident | 28 Ų | 28 | 43.3 Ų | 43.3 | 20% | 0.196 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -32.5 | 176.2 | -42.9 | 0 | 0 | 0 | 0 | 112.2 | S62 S69 | S62-S65 PolarHBondContact O-N 2.92Å; S65-S69 WeakPolarHBondContact O-CB 3.23Å; S65-S69 PolarHBondContact O-N 3.03Å |
| 66 | L | 90.6 | Very high | 87.1 | Confident | 9 Ų | 9 | 44.4 Ų | 44.4 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.7 | -39.2 | 173.2 | -72.1 | 168.5 | 0 | 0 | 0 | 112.6 | S62 S63 Y64 S69 L70 M121 L152 | S62-L66 PolarHBondContact O-N 3.32Å; S63-L66 PolarHBondContact O-N 2.82Å; Y64-L66 VanDerWaalsContact C-N 3.31Å; Y64-L66 PolarHBondContact O-N 3.39Å; L66-S69 WeakPolarHBondContact O-CB 3.39Å; L66-S69 PolarHBondContact O-N 3.29Å; L66-L70 PolarHBondContact O-N 3.45Å; L66-M121 HydrophobicContact CD1-CB 4.24Å; L66-M121 HydrophobicContact CD1-CG 3.82Å; L66-M121 HydrophobicContact CD2-CB 4.28Å; L66-M121 HydrophobicContact CD2-CG 4.12Å; L66-L152 HydrophobicContact CD2-CD2 3.86Å |
| 67 | I | 91.3 | Very high | 87.9 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 174.1 | -68 | 162.9 | 0 | 0 | 0 | 110.5 | V47 Y51 S63 Y64 S69 L70 A71 Y330 | V47-I67 HydrophobicContact CG1-CG2 3.86Å; Y51-I67 HydrophobicContact CD1-CB 4.32Å; Y51-I67 HydrophobicContact CD1-CD1 4.39Å; Y51-I67 HydrophobicContact CD1-CG2 4.21Å; Y51-I67 HydrophobicContact CD2-CG2 3.71Å; Y51-I67 HydrophobicContact CE1-CB 4.47Å; Y51-I67 HydrophobicContact CE1-CD1 3.78Å; Y51-I67 HydrophobicContact CE1-CG2 4.28Å; Y51-I67 HydrophobicContact CE2-CG2 3.79Å; Y51-I67 HydrophobicContact CG-CB 4.4Å; Y51-I67 HydrophobicContact CG-CG2 3.92Å; S63-I67 WeakPolarHBondContact O-CD1 3.35Å; S63-I67 WeakPolarHBondContact O-CG1 3.35Å; S63-I67 PolarHBondContact O-N 3.01Å; Y64-I67 PolarHBondContact O-N 3.33Å; I67-S69 VanDerWaalsContact C-N 3.34Å; I67-L70 PolarHBondContact O-N 3.47Å; I67-A71 PolarHBondContact O-N 3.32Å; I67-Y330 HydrophobicContact CG2-CE1 4.49Å; I67-Y330 HydrophobicContact CG2-CE2 4.24Å |
| 68 | A | 92.6 | Very high | 88.8 | Confident | 5 Ų | 5 | 29.2 Ų | 29.2 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L48 L52 Y64 L70 A71 L72 | L48-A68 HydrophobicContact CD1-CB 4Å; L48-A68 WeakPolarHBondContact CD1-O 3.47Å; L52-A68 HydrophobicContact CD2-CB 4.01Å; L52-A68 HydrophobicContact CG-CB 4.27Å; Y64-A68 WeakPolarHBondContact O-CB 3.42Å; Y64-A68 PolarHBondContact O-N 2.88Å; A68-L70 VanDerWaalsContact C-N 3.35Å; A68-L70 PolarHBondContact O-N 2.93Å; A68-A71 PolarHBondContact O-N 3.34Å; A68-L72 WeakPolarHBondContact O-CB 3.26Å; A68-L72 PolarHBondContact O-N 3.36Å |
| 69 | S | 93.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 24.5 Ų | 24.5 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.1 | -42.4 | 174.6 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | S65 L66 I67 L72 A73 W156 | S65-S69 WeakPolarHBondContact O-CB 3.23Å; S65-S69 PolarHBondContact O-N 3.03Å; L66-S69 WeakPolarHBondContact O-CB 3.39Å; L66-S69 PolarHBondContact O-N 3.29Å; I67-S69 VanDerWaalsContact C-N 3.34Å; S69-L72 PolarHBondContact O-N 3.38Å; S69-A73 PolarHBondContact O-N 3.03Å; S69-W156 PolarHBondContact OG-NE1 3.21Å |
| 70 | L | 94.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.3 | -48.8 | 175.7 | -178.3 | 64.6 | 0 | 0 | 0 | 111 | L66 I67 A68 L72 A73 D74 S115 L119 | L66-L70 PolarHBondContact O-N 3.45Å; I67-L70 PolarHBondContact O-N 3.47Å; A68-L70 VanDerWaalsContact C-N 3.35Å; A68-L70 PolarHBondContact O-N 2.93Å; L70-L72 VanDerWaalsContact C-N 3.28Å; L70-L72 PolarHBondContact O-N 2.85Å; L70-A73 PolarHBondContact O-N 3.37Å; L70-D74 PolarHBondContact O-N 3.32Å; L70-S115 VanDerWaalsContact CD1-OG 3.28Å; L70-S115 WeakPolarHBondContact CD1-OG 3.36Å; L70-L119 HydrophobicContact CD2-CD2 4.2Å |
| 71 | A | 96.1 | Very high | 93 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.008 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.5 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N44 V47 L48 I67 A68 L75 | N44-A71 HydrophobicContact CB-CB 4.33Å; V47-A71 HydrophobicContact CB-CB 4.17Å; V47-A71 HydrophobicContact CG1-CB 3.81Å; L48-A71 HydrophobicContact CB-CB 4.11Å; I67-A71 PolarHBondContact O-N 3.32Å; A68-A71 PolarHBondContact O-N 3.34Å; A71-L75 WeakPolarHBondContact O-CB 3.34Å; A71-L75 VanDerWaalsContact O-CG 3.26Å; A71-L75 WeakPolarHBondContact O-CG 3.44Å; A71-L75 PolarHBondContact O-N 3.49Å |
| 72 | L | 96.8 | Very high | 93.9 | Very high | 72 Ų | 72 | 18.3 Ų | 18.3 | 38% | 0.377 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -67.4 | -44.7 | 174.6 | -179.3 | 62.2 | 0 | 0 | 0 | 111.9 | L48 A68 S69 L70 D74 L75 C76 W156 | L48-L72 HydrophobicContact CD1-CB 4.3Å; L48-L72 HydrophobicContact CD2-CD1 4.38Å; A68-L72 WeakPolarHBondContact O-CB 3.26Å; A68-L72 PolarHBondContact O-N 3.36Å; S69-L72 PolarHBondContact O-N 3.38Å; L70-L72 VanDerWaalsContact C-N 3.28Å; L70-L72 PolarHBondContact O-N 2.85Å; L72-D74 VanDerWaalsContact C-N 3.34Å; L72-L75 PolarHBondContact O-N 3.22Å; L72-C76 PolarHBondContact O-N 2.59Å; L72-C76 PolarHBondContact O-SG 3.09Å; L72-W156 HydrophobicContact CB-CZ2 4.25Å; L72-W156 HydrophobicContact CD2-CH2 4.19Å; L72-W156 HydrophobicContact CD2-CZ2 3.89Å; L72-W156 HydrophobicContact CG-CH2 4.08Å; L72-W156 HydrophobicContact CG-CZ2 4.09Å |
| 73 | A | 96.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 2% | 0.017 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S69 L70 C76 F77 A114 W156 | S69-A73 PolarHBondContact O-N 3.03Å; L70-A73 PolarHBondContact O-N 3.37Å; A73-C76 PolarHBondContact O-N 2.85Å; A73-F77 PolarHBondContact O-N 3.3Å; A73-F77 VanDerWaalsContact O-N 3.16Å; A73-A114 HydrophobicContact CB-CB 3.89Å; A73-W156 HydrophobicContact CB-CH2 3.94Å; A73-W156 HydrophobicContact CB-CZ2 4.29Å |
| 74 | D | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.3 | -46.7 | 175.4 | -73.5 | -34.7 | 0 | 0 | 0 | 111 | L70 L72 C76 F77 L78 N111 S323 N326 | L70-D74 PolarHBondContact O-N 3.32Å; L72-D74 VanDerWaalsContact C-N 3.34Å; D74-C76 PolarHBondContact O-N 2.95Å; D74-F77 PolarHBondContact O-N 3.15Å; D74-L78 HydrophobicContact CB-CD1 4.34Å; D74-L78 VanDerWaalsContact O-CB 3.32Å; D74-L78 WeakPolarHBondContact O-CB 3.37Å; D74-L78 WeakPolarHBondContact O-CD1 3.11Å; D74-L78 WeakPolarHBondContact O-CG 3.42Å; D74-L78 PolarHBondContact O-N 3.34Å; D74-N111 PolarHBondContact OD1-OD1 3.22Å; D74-S323 VanDerWaalsContact OD1-CA 3.28Å; D74-S323 WeakPolarHBondContact OD1-CA 3.41Å; D74-S323 WeakPolarHBondContact OD1-CB 3.22Å; D74-S323 PolarHBondContact OD1-OG 3.01Å; D74-N326 PolarHBondContact OD2-ND2 3.15Å |
| 75 | L | 98.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 18.8 Ų | 18.8 | 12% | 0.115 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.1 | -47.3 | 178.1 | -78.8 | 167.5 | 0 | 0 | 0 | 112.7 | C41 N44 L48 A71 L72 F77 L78 V79 | C41-L75 HydrophobicContact CB-CD2 4.3Å; N44-L75 HydrophobicContact CB-CD1 4.31Å; N44-L75 HydrophobicContact CB-CD2 3.93Å; N44-L75 HydrophobicContact CB-CG 3.71Å; L48-L75 HydrophobicContact CB-CD1 4.38Å; L48-L75 HydrophobicContact CD2-CD1 3.73Å; A71-L75 WeakPolarHBondContact O-CB 3.34Å; A71-L75 VanDerWaalsContact O-CG 3.26Å; A71-L75 WeakPolarHBondContact O-CG 3.44Å; A71-L75 PolarHBondContact O-N 3.49Å; L72-L75 PolarHBondContact O-N 3.22Å; L75-F77 PolarHBondContact O-N 3.05Å; L75-L78 PolarHBondContact O-N 3.22Å; L75-V79 WeakPolarHBondContact O-CG1 3.32Å; L75-V79 PolarHBondContact O-N 2.49Å; L75-V79 VanDerWaalsContact O-N 3.16Å |
| 76 | C | 97.1 | Very high | 96.2 | Very high | 43 Ų | 43 | 19.8 Ų | 19.8 | 29% | 0.291 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -58.6 | -35 | 178.4 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | L72 A73 D74 V79 L107 | L72-C76 PolarHBondContact O-N 2.59Å; L72-C76 PolarHBondContact O-SG 3.09Å; A73-C76 PolarHBondContact O-N 2.85Å; D74-C76 PolarHBondContact O-N 2.95Å; C76-V79 WeakPolarHBondContact O-CG2 3.17Å; C76-L107 HydrophobicContact CB-CD2 4.24Å |
| 77 | F | 98 | Very high | 96.4 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -78 | -45.5 | 174.6 | 161.8 | -108.3 | 0 | 0 | 0 | 112.8 | A73 D74 L75 V79 T80 L81 T108 N111 Y320 | A73-F77 PolarHBondContact O-N 3.3Å; A73-F77 VanDerWaalsContact O-N 3.16Å; D74-F77 PolarHBondContact O-N 3.15Å; L75-F77 PolarHBondContact O-N 3.05Å; F77-V79 VanDerWaalsContact C-N 3.26Å; F77-V79 PolarHBondContact O-N 3.13Å; F77-T80 WeakPolarHBondContact O-CA 3.26Å; F77-T80 WeakPolarHBondContact O-CB 3.42Å; F77-T80 PolarHBondContact O-N 2.89Å; F77-T80 PolarHBondContact O-OG1 3.38Å; F77-L81 HydrophobicContact CE1-CD1 4.47Å; F77-L81 HydrophobicContact CE1-CD2 4.12Å; F77-L81 HydrophobicContact CE1-CG 4.29Å; F77-L81 HydrophobicContact CE2-CD2 4.13Å; F77-L81 HydrophobicContact CZ-CD2 3.54Å; F77-L81 HydrophobicContact CZ-CG 4.12Å; F77-T108 HydrophobicContact CD2-CG2 4.41Å; F77-T108 HydrophobicContact CE2-CG2 4.05Å; F77-T108 WeakPolarHBondContact CE2-OG1 3.48Å; F77-N111 HydrophobicContact CB-CB 3.54Å; F77-N111 VanDerWaalsContact CD1-ND2 3.33Å; F77-N111 WeakPolarHBondContact CD1-ND2 3.44Å; F77-N111 HydrophobicContact CG-CB 4.07Å; F77-N111 WeakPolarHBondContact CG-ND2 3.37Å; F77-Y320 HydrophobicContact CE1-CD1 4.44Å; F77-Y320 HydrophobicContact CE1-CG 4.31Å; F77-Y320 HydrophobicContact CE2-CD1 4.11Å; F77-Y320 HydrophobicContact CE2-CD2 4.41Å; F77-Y320 HydrophobicContact CE2-CE1 4.11Å; F77-Y320 HydrophobicContact CE2-CE2 4.41Å; F77-Y320 HydrophobicContact CE2-CG 4.28Å; F77-Y320 AromaticContact CZ-CD1 3.54Å; F77-Y320 HydrophobicContact CZ-CD1 3.54Å; F77-Y320 AromaticContact CZ-CD2 3.82Å; F77-Y320 HydrophobicContact CZ-CD2 3.82Å; F77-Y320 HydrophobicContact CZ-CE1 4.01Å; F77-Y320 HydrophobicContact CZ-CE2 4.27Å; F77-Y320 AromaticContact CZ-CG 3.45Å; F77-Y320 HydrophobicContact CZ-CG 3.45Å; F77-Y320 VanDerWaalsContact CZ-CG 3.45Å |
| 78 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -37.4 | -175.5 | -74.6 | 165.6 | 0 | 0 | 0 | 112.2 | F37 N44 D74 L75 T80 L81 | F37-L78 WeakPolarHBondContact CD2-O 3.32Å; N44-L78 WeakPolarHBondContact ND2-CD1 3.43Å; D74-L78 HydrophobicContact CB-CD1 4.34Å; D74-L78 VanDerWaalsContact O-CB 3.32Å; D74-L78 WeakPolarHBondContact O-CB 3.37Å; D74-L78 WeakPolarHBondContact O-CD1 3.11Å; D74-L78 WeakPolarHBondContact O-CG 3.42Å; D74-L78 PolarHBondContact O-N 3.34Å; L75-L78 PolarHBondContact O-N 3.22Å; L78-T80 PolarHBondContact O-N 2.94Å; L78-T80 VanDerWaalsContact O-N 3.1Å; L78-L81 HydrophobicContact CD2-CD1 3.61Å; L78-L81 WeakPolarHBondContact O-CB 3.34Å; L78-L81 PolarHBondContact O-N 3.08Å |
| 79 | V | 97.6 | Very high | 96.5 | Very high | 85 Ų | 85 | 22.7 Ų | 22.7 | 52% | 0.515 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -17 | 175.7 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | L75 C76 F77 | L75-V79 WeakPolarHBondContact O-CG1 3.32Å; L75-V79 PolarHBondContact O-N 2.49Å; L75-V79 VanDerWaalsContact O-N 3.16Å; C76-V79 WeakPolarHBondContact O-CG2 3.17Å; F77-V79 VanDerWaalsContact C-N 3.26Å; F77-V79 PolarHBondContact O-N 3.13Å |
| 80 | T | 97.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 27.5 Ų | 27.5 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -17.1 | 175.4 | 76.2 | 0 | 0 | 0 | 0 | 113.2 | F77 L78 P82 L83 W84 L107 | F77-T80 WeakPolarHBondContact O-CA 3.26Å; F77-T80 WeakPolarHBondContact O-CB 3.42Å; F77-T80 PolarHBondContact O-N 2.89Å; F77-T80 PolarHBondContact O-OG1 3.38Å; L78-T80 PolarHBondContact O-N 2.94Å; L78-T80 VanDerWaalsContact O-N 3.1Å; T80-P82 VanDerWaalsContact C-CD 3.44Å; T80-P82 VanDerWaalsContact C-N 3.35Å; T80-L83 VanDerWaalsContact O-CB 3.31Å; T80-L83 WeakPolarHBondContact O-CB 3.08Å; T80-L83 PolarHBondContact O-N 3.02Å; T80-W84 VanDerWaalsContact O-CD1 3.3Å; T80-W84 PolarHBondContact O-N 3.27Å; T80-L107 HydrophobicContact CG2-CB 4.06Å; T80-L107 HydrophobicContact CG2-CD1 3.62Å; T80-L107 HydrophobicContact CG2-CG 4.48Å |
| 81 | L | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.9 | -36.4 | -177.9 | -76.9 | -176.1 | 0 | 0 | 0 | 114.7 | Y33 A36 F37 F77 L78 L83 W84 A85 Y320 | Y33-L81 HydrophobicContact CD1-CD2 4.25Å; Y33-L81 HydrophobicContact CG-CD2 4.3Å; A36-L81 HydrophobicContact CB-CD1 3.8Å; F37-L81 HydrophobicContact CB-CB 4.27Å; F77-L81 HydrophobicContact CE1-CD1 4.47Å; F77-L81 HydrophobicContact CE1-CD2 4.12Å; F77-L81 HydrophobicContact CE1-CG 4.29Å; F77-L81 HydrophobicContact CE2-CD2 4.13Å; F77-L81 HydrophobicContact CZ-CD2 3.54Å; F77-L81 HydrophobicContact CZ-CG 4.12Å; L78-L81 HydrophobicContact CD2-CD1 3.61Å; L78-L81 WeakPolarHBondContact O-CB 3.34Å; L78-L81 PolarHBondContact O-N 3.08Å; L81-L83 PolarHBondContact O-N 3.34Å; L81-W84 PolarHBondContact O-N 3.47Å; L81-W84 VanDerWaalsContact O-N 3.17Å; L81-A85 WeakPolarHBondContact O-CB 3.37Å; L81-A85 PolarHBondContact O-N 2.87Å; L81-Y320 HydrophobicContact CD2-CD2 3.6Å; L81-Y320 HydrophobicContact CD2-CE2 4.25Å; L81-Y320 HydrophobicContact CD2-CG 4.23Å |
| 82 | P | 98 | Very high | 95.7 | Very high | 44 Ų | 44 | 32.3 Ų | 32.3 | 29% | 0.286 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.3 | -36.1 | 174 | -27.7 | 37 | 0 | 0 | 0 | 113.3 | F37 T80 A85 T86 | F37-P82 HydrophobicContact CB-CG 4.45Å; F37-P82 HydrophobicContact CD1-CG 4.08Å; F37-P82 HydrophobicContact CD2-CG 3.99Å; F37-P82 HydrophobicContact CE1-CG 4.32Å; F37-P82 HydrophobicContact CE2-CG 4.23Å; F37-P82 HydrophobicContact CG-CG 3.9Å; F37-P82 HydrophobicContact CZ-CG 4.39Å; T80-P82 VanDerWaalsContact C-CD 3.44Å; T80-P82 VanDerWaalsContact C-N 3.35Å; P82-A85 WeakPolarHBondContact O-CB 3.4Å; P82-A85 PolarHBondContact O-N 2.79Å; P82-T86 PolarHBondContact O-N 2.89Å; P82-T86 PolarHBondContact O-OG1 3.01Å |
| 83 | L | 97.8 | Very high | 95.5 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 16% | 0.162 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 176.6 | -55 | 173.5 | 0 | 0 | 0 | 111 | T80 L81 A85 T86 Y87 W94 F96 L100 | T80-L83 VanDerWaalsContact O-CB 3.31Å; T80-L83 WeakPolarHBondContact O-CB 3.08Å; T80-L83 PolarHBondContact O-N 3.02Å; L81-L83 PolarHBondContact O-N 3.34Å; L83-A85 VanDerWaalsContact C-N 3.33Å; L83-T86 WeakPolarHBondContact CA-OG1 3.48Å; L83-T86 PolarHBondContact O-N 3.5Å; L83-T86 PolarHBondContact O-OG1 3.1Å; L83-Y87 VanDerWaalsContact O-CB 3.3Å; L83-Y87 WeakPolarHBondContact O-CB 3.3Å; L83-Y87 PolarHBondContact O-N 2.93Å; L83-W94 HydrophobicContact CB-CH2 3.8Å; L83-W94 HydrophobicContact CB-CZ3 4.29Å; L83-W94 HydrophobicContact CD1-CH2 4.34Å; L83-F96 HydrophobicContact CB-CD2 4.36Å; L83-F96 HydrophobicContact CB-CE2 4.26Å; L83-F96 HydrophobicContact CD2-CD1 3.78Å; L83-F96 HydrophobicContact CD2-CD2 3.93Å; L83-F96 HydrophobicContact CD2-CE1 3.84Å; L83-F96 HydrophobicContact CD2-CE2 3.99Å; L83-F96 HydrophobicContact CD2-CG 3.84Å; L83-F96 HydrophobicContact CD2-CZ 3.95Å; L83-L100 HydrophobicContact CD1-CD2 4.3Å |
| 84 | W | 96.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -34.2 | 175.5 | -63.1 | 111.9 | 0 | 0 | 0 | 112.2 | Y33 T80 L81 Y87 T88 W94 Y320 | Y33-W84 HydrophobicContact CD2-CB 4.07Å; Y33-W84 HydrophobicContact CE2-CB 4.04Å; T80-W84 VanDerWaalsContact O-CD1 3.3Å; T80-W84 PolarHBondContact O-N 3.27Å; L81-W84 PolarHBondContact O-N 3.47Å; L81-W84 VanDerWaalsContact O-N 3.17Å; W84-Y87 AromaticContact CE3-CD1 3.97Å; W84-Y87 HydrophobicContact CE3-CD1 3.97Å; W84-Y87 HydrophobicContact CE3-CE1 4.46Å; W84-Y87 HydrophobicContact CZ3-CD1 4.26Å; W84-Y87 HydrophobicContact CZ3-CE1 4.36Å; W84-Y87 PolarHBondContact O-N 2.85Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 3.34Å; W84-T88 VanDerWaalsContact O-OG1 3.08Å; W84-W94 HydrophobicContact CE3-CZ3 4.19Å; W84-W94 HydrophobicContact CZ3-CZ3 4.17Å; W84-Y320 HydrophobicContact CG-CE2 4.38Å |
| 85 | A | 97 | Very high | 95.2 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -47.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | P30 Y33 V34 L81 P82 L83 T88 A89 | P30-A85 HydrophobicContact CB-CB 4.16Å; P30-A85 WeakPolarHBondContact CB-O 3.25Å; P30-A85 WeakPolarHBondContact CG-O 3.36Å; Y33-A85 HydrophobicContact CD2-CB 4.22Å; V34-A85 HydrophobicContact CG2-CB 4.11Å; L81-A85 WeakPolarHBondContact O-CB 3.37Å; L81-A85 PolarHBondContact O-N 2.87Å; P82-A85 WeakPolarHBondContact O-CB 3.4Å; P82-A85 PolarHBondContact O-N 2.79Å; L83-A85 VanDerWaalsContact C-N 3.33Å; A85-T88 PolarHBondContact O-N 2.91Å; A85-A89 VanDerWaalsContact O-CB 3.23Å; A85-A89 WeakPolarHBondContact O-CB 3.49Å; A85-A89 PolarHBondContact O-N 3.06Å |
| 86 | T | 96.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 36.3 Ų | 36.3 | 30% | 0.301 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 175 | 42.2 | 0 | 0 | 0 | 0 | 112.3 | P82 L83 T88 A89 M90 F96 | P82-T86 PolarHBondContact O-N 2.89Å; P82-T86 PolarHBondContact O-OG1 3.01Å; L83-T86 WeakPolarHBondContact CA-OG1 3.48Å; L83-T86 PolarHBondContact O-N 3.5Å; L83-T86 PolarHBondContact O-OG1 3.1Å; T86-T88 PolarHBondContact O-N 3.44Å; T86-A89 PolarHBondContact O-N 3.28Å; T86-M90 WeakPolarHBondContact O-CB 3.49Å; T86-M90 WeakPolarHBondContact O-CG 3.27Å; T86-M90 PolarHBondContact O-N 3.33Å; T86-F96 HydrophobicContact CG2-CZ 4.18Å; T86-F96 WeakPolarHBondContact OG1-CE2 3.36Å; T86-F96 WeakPolarHBondContact OG1-CZ 3.32Å |
| 87 | Y | 94.6 | Very high | 95.1 | Very high | 28 Ų | 28 | 36 Ų | 36 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.7 | -50.1 | 176.2 | 172.1 | -110.5 | 0 | 0 | 0 | 111.2 | L83 W84 M90 Y92 H93 W94 S191 | L83-Y87 VanDerWaalsContact O-CB 3.3Å; L83-Y87 WeakPolarHBondContact O-CB 3.3Å; L83-Y87 PolarHBondContact O-N 2.93Å; W84-Y87 AromaticContact CE3-CD1 3.97Å; W84-Y87 HydrophobicContact CE3-CD1 3.97Å; W84-Y87 HydrophobicContact CE3-CE1 4.46Å; W84-Y87 HydrophobicContact CZ3-CD1 4.26Å; W84-Y87 HydrophobicContact CZ3-CE1 4.36Å; W84-Y87 PolarHBondContact O-N 2.85Å; Y87-M90 PolarHBondContact O-N 3.23Å; Y87-Y92 HydrophobicContact CD1-CD1 4.08Å; Y87-Y92 AromaticContact CE1-CD1 3.45Å; Y87-Y92 HydrophobicContact CE1-CD1 3.45Å; Y87-Y92 VanDerWaalsContact CE1-CD1 3.45Å; Y87-Y92 HydrophobicContact CE1-CE1 4.28Å; Y87-Y92 HydrophobicContact CE1-CG 4.34Å; Y87-Y92 WeakPolarHBondContact CE2-O 3.4Å; Y87-Y92 AromaticContact CZ-CD1 3.77Å; Y87-Y92 WeakPolarHBondContact O-CA 3.4Å; Y87-Y92 PolarHBondContact O-N 2.92Å; Y87-H93 WeakPolarHBondContact CA-O 3.45Å; Y87-H93 WeakPolarHBondContact CD2-O 3.28Å; Y87-W94 HydrophobicContact CD2-CB 3.97Å; Y87-W94 AromaticContact CD2-CE3 3.7Å; Y87-W94 HydrophobicContact CD2-CE3 3.7Å; Y87-W94 HydrophobicContact CE2-CB 4.2Å; Y87-W94 HydrophobicContact CE2-CE3 4.41Å; Y87-W94 AromaticContact CG-CE3 3.92Å; Y87-W94 HydrophobicContact CG-CE3 3.92Å; Y87-W94 HydrophobicContact CG-CZ3 4.42Å; Y87-S191 PolarHBondContact OH-OG 3.29Å |
| 88 | T | 92.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 40.6 Ų | 40.6 | 5% | 0.049 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67 | -39.7 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | F26 I29 P30 W84 A85 T86 M90 G91 | F26-T88 VanDerWaalsContact CD1-O 3.23Å; F26-T88 WeakPolarHBondContact CD1-O 3.41Å; I29-T88 HydrophobicContact CB-CG2 4.25Å; I29-T88 HydrophobicContact CG2-CG2 4.14Å; P30-T88 HydrophobicContact CG-CG2 4.04Å; W84-T88 PolarHBondContact O-N 2.86Å; W84-T88 PolarHBondContact O-OG1 3.34Å; W84-T88 VanDerWaalsContact O-OG1 3.08Å; A85-T88 PolarHBondContact O-N 2.91Å; T86-T88 PolarHBondContact O-N 3.44Å; T88-M90 VanDerWaalsContact C-N 3.29Å; T88-M90 PolarHBondContact O-N 2.98Å; T88-G91 PolarHBondContact O-N 2.89Å |
| 89 | A | 93 | Very high | 94.8 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.8 | -30.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P30 A85 T86 G91 | P30-A89 HydrophobicContact CB-CB 4.13Å; P30-A89 HydrophobicContact CG-CB 3.81Å; A85-A89 VanDerWaalsContact O-CB 3.23Å; A85-A89 WeakPolarHBondContact O-CB 3.49Å; A85-A89 PolarHBondContact O-N 3.06Å; T86-A89 PolarHBondContact O-N 3.28Å; A89-G91 VanDerWaalsContact C-N 3.27Å; A89-G91 PolarHBondContact O-N 2.93Å |
| 90 | M | 90.5 | Very high | 94.8 | Very high | 107 Ų | 107 | 44 Ų | 44 | 53% | 0.527 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 25.1 | 178.3 | -63.9 | -177.9 | 170.8 | 0 | 0 | 112.9 | T86 Y87 T88 Y92 H93 P95 | T86-M90 WeakPolarHBondContact O-CB 3.49Å; T86-M90 WeakPolarHBondContact O-CG 3.27Å; T86-M90 PolarHBondContact O-N 3.33Å; Y87-M90 PolarHBondContact O-N 3.23Å; T88-M90 VanDerWaalsContact C-N 3.29Å; T88-M90 PolarHBondContact O-N 2.98Å; M90-Y92 PolarHBondContact O-N 2.89Å; M90-H93 HydrophobicContact CB-CB 3.89Å; M90-H93 VanDerWaalsContact O-CB 3.32Å; M90-H93 WeakPolarHBondContact O-CB 3.4Å; M90-H93 PolarHBondContact O-N 2.83Å; M90-P95 HydrophobicContact SD-CG 4.02Å |
| 91 | G | 88.1 | Confident | 94.7 | Very high | 36 Ų | 36 | 43.8 Ų | 43.8 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T88 A89 H93 | T88-G91 PolarHBondContact O-N 2.89Å; A89-G91 VanDerWaalsContact C-N 3.27Å; A89-G91 PolarHBondContact O-N 2.93Å; G91-H93 VanDerWaalsContact C-N 3.32Å |
| 92 | Y | 89.9 | Confident | 94.7 | Very high | 71 Ų | 71 | 46 Ų | 46 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 26.5 | -176.1 | -53.7 | -84.6 | 0 | 0 | 0 | 114.3 | P24 F26 Y87 M90 | P24-Y92 HydrophobicContact CG-CE2 3.8Å; F26-Y92 HydrophobicContact CE1-CD2 4.13Å; F26-Y92 AromaticContact CE1-CE2 3.83Å; F26-Y92 HydrophobicContact CE1-CE2 3.83Å; Y87-Y92 HydrophobicContact CD1-CD1 4.08Å; Y87-Y92 AromaticContact CE1-CD1 3.45Å; Y87-Y92 HydrophobicContact CE1-CD1 3.45Å; Y87-Y92 VanDerWaalsContact CE1-CD1 3.45Å; Y87-Y92 HydrophobicContact CE1-CE1 4.28Å; Y87-Y92 HydrophobicContact CE1-CG 4.34Å; Y87-Y92 WeakPolarHBondContact CE2-O 3.4Å; Y87-Y92 AromaticContact CZ-CD1 3.77Å; Y87-Y92 WeakPolarHBondContact O-CA 3.4Å; Y87-Y92 PolarHBondContact O-N 2.92Å; M90-Y92 PolarHBondContact O-N 2.89Å |
| 93 | H | 91.6 | Very high | 94.7 | Very high | 53 Ų | 53 | 47.9 Ų | 47.9 | 25% | 0.245 | 27% | 0.27 | C | S | . | . | trans | -84.8 | 132.6 | 167.9 | -176.6 | 65.9 | 0 | 0 | 0 | 112.2 | Y87 M90 G91 P95 V189 L190 | Y87-H93 WeakPolarHBondContact CA-O 3.45Å; Y87-H93 WeakPolarHBondContact CD2-O 3.28Å; M90-H93 HydrophobicContact CB-CB 3.89Å; M90-H93 VanDerWaalsContact O-CB 3.32Å; M90-H93 WeakPolarHBondContact O-CB 3.4Å; M90-H93 PolarHBondContact O-N 2.83Å; G91-H93 VanDerWaalsContact C-N 3.32Å; H93-P95 VanDerWaalsContact O-CD 3.25Å; H93-P95 WeakPolarHBondContact O-CD 3.36Å; H93-V189 HydrophobicContact CB-CG1 3.77Å; H93-L190 CarbonylContact C-O 3.57Å; H93-L190 WeakPolarHBondContact CA-O 3.28Å; H93-L190 PolarHBondContact ND1-N 3.24Å; H93-L190 PolarHBondContact ND1-O 3.16Å | ||
| 94 | W | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | trans | -109.3 | 95.4 | -178.6 | -173.1 | -89.2 | 0 | 0 | 0 | 112.3 | L83 W84 Y87 F96 G97 L100 C101 S104 V172 L190 C192 | L83-W94 HydrophobicContact CB-CH2 3.8Å; L83-W94 HydrophobicContact CB-CZ3 4.29Å; L83-W94 HydrophobicContact CD1-CH2 4.34Å; W84-W94 HydrophobicContact CE3-CZ3 4.19Å; W84-W94 HydrophobicContact CZ3-CZ3 4.17Å; Y87-W94 HydrophobicContact CD2-CB 3.97Å; Y87-W94 AromaticContact CD2-CE3 3.7Å; Y87-W94 HydrophobicContact CD2-CE3 3.7Å; Y87-W94 HydrophobicContact CE2-CB 4.2Å; Y87-W94 HydrophobicContact CE2-CE3 4.41Å; Y87-W94 AromaticContact CG-CE3 3.92Å; Y87-W94 HydrophobicContact CG-CE3 3.92Å; Y87-W94 HydrophobicContact CG-CZ3 4.42Å; W94-F96 HydrophobicContact CD2-CD2 4.06Å; W94-F96 AromaticContact CE2-CD2 3.84Å; W94-F96 HydrophobicContact CE3-CD2 4.3Å; W94-F96 HydrophobicContact CH2-CD2 4.14Å; W94-F96 HydrophobicContact CZ2-CB 3.9Å; W94-F96 AromaticContact CZ2-CD2 3.85Å; W94-F96 HydrophobicContact CZ2-CD2 3.85Å; W94-F96 HydrophobicContact CZ2-CG 4.3Å; W94-F96 HydrophobicContact CZ3-CD2 4.35Å; W94-G97 PolarHBondContact NE1-O 3.26Å; W94-L100 VanDerWaalsContact CZ2-C 3.44Å; W94-L100 HydrophobicContact CZ2-CB 3.99Å; W94-C101 HydrophobicContact CD2-CB 4.34Å; W94-C101 VanDerWaalsContact CZ2-CA 3.43Å; W94-C101 HydrophobicContact CZ2-CB 4.02Å; W94-C101 VanDerWaalsContact CZ2-N 3.27Å; W94-S104 WeakPolarHBondContact CH2-OG 3.4Å; W94-V172 HydrophobicContact CG-CG2 4.45Å; W94-L190 PolarHBondContact N-O 2.65Å; W94-C192 HydrophobicContact CB-CB 4.19Å; W94-C192 HydrophobicContact CD2-CB 3.81Å; W94-C192 HydrophobicContact CE3-CB 3.9Å; W94-C192 HydrophobicContact CG-CB 3.91Å | ||
| 95 | P | 94.8 | Very high | 94.6 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -2.2 | -176.4 | 34.6 | -38.3 | 0 | 0 | 0 | 114.5 | M90 H93 G97 | M90-P95 HydrophobicContact SD-CG 4.02Å; H93-P95 VanDerWaalsContact O-CD 3.25Å; H93-P95 WeakPolarHBondContact O-CD 3.36Å; P95-G97 PolarHBondContact O-N 2.8Å |
| 96 | F | 96.1 | Very high | 94.6 | Very high | 66 Ų | 66 | 47.8 Ų | 47.8 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 1.1 | -168.1 | -54.3 | -70.7 | 0 | 0 | 0 | 114.8 | L83 T86 W94 L100 | L83-F96 HydrophobicContact CB-CD2 4.36Å; L83-F96 HydrophobicContact CB-CE2 4.26Å; L83-F96 HydrophobicContact CD2-CD1 3.78Å; L83-F96 HydrophobicContact CD2-CD2 3.93Å; L83-F96 HydrophobicContact CD2-CE1 3.84Å; L83-F96 HydrophobicContact CD2-CE2 3.99Å; L83-F96 HydrophobicContact CD2-CG 3.84Å; L83-F96 HydrophobicContact CD2-CZ 3.95Å; T86-F96 HydrophobicContact CG2-CZ 4.18Å; T86-F96 WeakPolarHBondContact OG1-CE2 3.36Å; T86-F96 WeakPolarHBondContact OG1-CZ 3.32Å; W94-F96 HydrophobicContact CD2-CD2 4.06Å; W94-F96 AromaticContact CE2-CD2 3.84Å; W94-F96 HydrophobicContact CE3-CD2 4.3Å; W94-F96 HydrophobicContact CH2-CD2 4.14Å; W94-F96 HydrophobicContact CZ2-CB 3.9Å; W94-F96 AromaticContact CZ2-CD2 3.85Å; W94-F96 HydrophobicContact CZ2-CD2 3.85Å; W94-F96 HydrophobicContact CZ2-CG 4.3Å; W94-F96 HydrophobicContact CZ3-CD2 4.35Å; F96-L100 HydrophobicContact CB-CB 3.87Å; F96-L100 HydrophobicContact CB-CD1 3.73Å; F96-L100 HydrophobicContact CB-CG 4.44Å; F96-L100 HydrophobicContact CG-CD1 4.49Å |
| 97 | G | 95 | Very high | 94.6 | Very high | 35 Ų | 35 | 47 Ų | 47 | 36% | 0.361 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | 73.2 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | W94 P95 C101 | W94-G97 PolarHBondContact NE1-O 3.26Å; P95-G97 PolarHBondContact O-N 2.8Å; G97-C101 PolarHBondContact O-N 3.28Å |
| 98 | Q | 95.3 | Very high | 94.7 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 46% | 0.463 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | -170.2 | -174.7 | 168 | -3.1 | 0 | 0 | 115.2 | L100 C101 Q102 V172 | Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.33Å; Q98-C101 WeakPolarHBondContact O-CB 3.41Å; Q98-C101 PolarHBondContact O-N 3.33Å; Q98-Q102 HydrophobicContact CG-CG 4.48Å; Q98-Q102 PolarHBondContact O-N 3.42Å; Q98-Q102 VanDerWaalsContact O-N 3.08Å; Q98-V172 HydrophobicContact CB-CG2 4.39Å |
| 99 | P | 96.4 | Very high | 94.8 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 55% | 0.545 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | -177.9 | -25 | 35 | 0 | 0 | 0 | 112.9 | Q102 I103 | P99-Q102 PolarHBondContact O-N 3.24Å; P99-I103 WeakPolarHBondContact O-CB 3.32Å; P99-I103 VanDerWaalsContact O-CG1 3.27Å; P99-I103 WeakPolarHBondContact O-CG1 3.43Å; P99-I103 PolarHBondContact O-N 3.16Å |
| 100 | L | 96.5 | Very high | 95 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.7 | -33.7 | 179.6 | -74.4 | 173 | 0 | 0 | 0 | 112 | L83 W94 F96 Q98 Q102 S104 | L83-L100 HydrophobicContact CD1-CD2 4.3Å; W94-L100 VanDerWaalsContact CZ2-C 3.44Å; W94-L100 HydrophobicContact CZ2-CB 3.99Å; F96-L100 HydrophobicContact CB-CB 3.87Å; F96-L100 HydrophobicContact CB-CD1 3.73Å; F96-L100 HydrophobicContact CB-CG 4.44Å; F96-L100 HydrophobicContact CG-CD1 4.49Å; Q98-L100 VanDerWaalsContact C-N 3.31Å; Q98-L100 PolarHBondContact O-N 3.33Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; L100-S104 WeakPolarHBondContact O-CB 3.23Å; L100-S104 PolarHBondContact O-N 3.31Å; L100-S104 PolarHBondContact O-OG 2.75Å |
| 101 | C | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.6 | -45.4 | 172.4 | 165.2 | 0 | 0 | 0 | 0 | 110.8 | W94 G97 Q98 S104 S105 V172 C192 | W94-C101 HydrophobicContact CD2-CB 4.34Å; W94-C101 VanDerWaalsContact CZ2-CA 3.43Å; W94-C101 HydrophobicContact CZ2-CB 4.02Å; W94-C101 VanDerWaalsContact CZ2-N 3.27Å; G97-C101 PolarHBondContact O-N 3.28Å; Q98-C101 WeakPolarHBondContact O-CB 3.41Å; Q98-C101 PolarHBondContact O-N 3.33Å; C101-S104 PolarHBondContact O-OG 2.98Å; C101-S105 WeakPolarHBondContact O-CB 3.43Å; C101-S105 PolarHBondContact O-N 3.21Å; C101-S105 VanDerWaalsContact O-N 3.15Å; C101-S105 PolarHBondContact O-OG 3.42Å; C101-V172 HydrophobicContact CB-CG2 3.9Å; C101-C192 HydrophobicContact CB-CB 3.85Å; C101-C192 WeakPolarHBondContact CB-SG 3.44Å; C101-C192 WeakPolarHBondContact SG-CB 3.44Å; C101-C192 CovalentContact SG-SG 2.03Å; C101-C192 PolarHBondContact SG-SG 3.03Å |
| 102 | Q | 96.8 | Very high | 95.5 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.4 | -51.5 | 179.4 | -72.1 | 178.8 | -26.6 | 0 | 0 | 112.5 | Q98 P99 L100 S105 F106 L167 R170 | Q98-Q102 HydrophobicContact CG-CG 4.48Å; Q98-Q102 PolarHBondContact O-N 3.42Å; Q98-Q102 VanDerWaalsContact O-N 3.08Å; P99-Q102 PolarHBondContact O-N 3.24Å; L100-Q102 VanDerWaalsContact C-N 3.34Å; Q102-S105 PolarHBondContact O-N 3.39Å; Q102-F106 VanDerWaalsContact O-CB 3.3Å; Q102-F106 WeakPolarHBondContact O-CB 3.24Å; Q102-F106 PolarHBondContact O-N 2.9Å; Q102-L167 HydrophobicContact CB-CD1 4.05Å; Q102-L167 WeakPolarHBondContact CG-O 3.19Å; Q102-R170 HydrophobicContact CG-CB 4.31Å; Q102-R170 WeakPolarHBondContact CG-O 3.17Å; Q102-R170 PolarHBondContact NE2-O 2.77Å |
| 103 | I | 97 | Very high | 95.8 | Very high | 83 Ų | 83 | 36.4 Ų | 36.4 | 43% | 0.426 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65 | -45.9 | -177.5 | -67.8 | 167 | 0 | 0 | 0 | 110.7 | P99 S105 F106 L107 | P99-I103 WeakPolarHBondContact O-CB 3.32Å; P99-I103 VanDerWaalsContact O-CG1 3.27Å; P99-I103 WeakPolarHBondContact O-CG1 3.43Å; P99-I103 PolarHBondContact O-N 3.16Å; I103-S105 PolarHBondContact O-N 3.31Å; I103-F106 PolarHBondContact O-N 3.03Å; I103-L107 HydrophobicContact CG2-CD1 3.81Å; I103-L107 HydrophobicContact CG2-CG 4.27Å; I103-L107 WeakPolarHBondContact O-CB 3.24Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.16Å; I103-L107 PolarHBondContact O-N 3.4Å |
| 104 | S | 96.8 | Very high | 96 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 179.5 | 61.3 | 0 | 0 | 0 | 0 | 112 | W94 L100 C101 L107 T108 | W94-S104 WeakPolarHBondContact CH2-OG 3.4Å; L100-S104 WeakPolarHBondContact O-CB 3.23Å; L100-S104 PolarHBondContact O-N 3.31Å; L100-S104 PolarHBondContact O-OG 2.75Å; C101-S104 PolarHBondContact O-OG 2.98Å; S104-L107 PolarHBondContact O-N 2.96Å; S104-T108 PolarHBondContact O-N 3.33Å; S104-T108 PolarHBondContact O-OG1 3.18Å |
| 105 | S | 96.3 | Very high | 96 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 6% | 0.063 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 176.5 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | C101 Q102 I103 T108 A109 | C101-S105 WeakPolarHBondContact O-CB 3.43Å; C101-S105 PolarHBondContact O-N 3.21Å; C101-S105 VanDerWaalsContact O-N 3.15Å; C101-S105 PolarHBondContact O-OG 3.42Å; Q102-S105 PolarHBondContact O-N 3.39Å; I103-S105 PolarHBondContact O-N 3.31Å; S105-T108 PolarHBondContact O-N 2.88Å; S105-A109 PolarHBondContact O-N 2.96Å; S105-A109 VanDerWaalsContact O-N 3.08Å |
| 106 | F | 97.1 | Very high | 95.9 | Very high | 39 Ų | 39 | 31 Ų | 31 | 17% | 0.171 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.9 | -47.7 | 173.2 | 172.1 | -102 | 0 | 0 | 0 | 111.6 | Q102 I103 T108 A109 L110 A160 A163 L167 | Q102-F106 VanDerWaalsContact O-CB 3.3Å; Q102-F106 WeakPolarHBondContact O-CB 3.24Å; Q102-F106 PolarHBondContact O-N 2.9Å; I103-F106 PolarHBondContact O-N 3.03Å; F106-T108 VanDerWaalsContact C-N 3.33Å; F106-T108 PolarHBondContact O-N 2.93Å; F106-A109 PolarHBondContact O-N 2.88Å; F106-L110 HydrophobicContact CE1-CB 4.44Å; F106-L110 HydrophobicContact CE1-CD2 3.88Å; F106-L110 HydrophobicContact CZ-CB 4.49Å; F106-L110 HydrophobicContact CZ-CD1 4.46Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 VanDerWaalsContact O-CB 3.24Å; F106-L110 WeakPolarHBondContact O-CB 3.25Å; F106-L110 PolarHBondContact O-N 2.87Å; F106-A160 HydrophobicContact CZ-CB 4.27Å; F106-A163 HydrophobicContact CD2-CB 3.83Å; F106-A163 HydrophobicContact CE2-CB 3.69Å; F106-L167 HydrophobicContact CB-CB 3.98Å; F106-L167 HydrophobicContact CB-CD1 3.92Å; F106-L167 HydrophobicContact CD2-CB 3.91Å; F106-L167 HydrophobicContact CG-CB 4.19Å; F106-L167 HydrophobicContact CG-CD1 4.29Å |
| 107 | L | 97.5 | Very high | 95.8 | Very high | 33 Ų | 33 | 29.5 Ų | 29.5 | 17% | 0.173 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.5 | -35.9 | -179.9 | -70.7 | 175.2 | 0 | 0 | 0 | 112.3 | C76 T80 I103 S104 L110 N111 | C76-L107 HydrophobicContact CB-CD2 4.24Å; T80-L107 HydrophobicContact CG2-CB 4.06Å; T80-L107 HydrophobicContact CG2-CD1 3.62Å; T80-L107 HydrophobicContact CG2-CG 4.48Å; I103-L107 HydrophobicContact CG2-CD1 3.81Å; I103-L107 HydrophobicContact CG2-CG 4.27Å; I103-L107 WeakPolarHBondContact O-CB 3.24Å; I103-L107 VanDerWaalsContact O-CG 3.28Å; I103-L107 WeakPolarHBondContact O-CG 3.16Å; I103-L107 PolarHBondContact O-N 3.4Å; S104-L107 PolarHBondContact O-N 2.96Å; L107-L110 HydrophobicContact CD2-CD2 4.09Å; L107-N111 VanDerWaalsContact O-CB 3.29Å; L107-N111 WeakPolarHBondContact O-CB 3.35Å; L107-N111 PolarHBondContact O-N 3.46Å |
| 108 | T | 95.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 11% | 0.11 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -49.2 | 171.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | F77 S104 S105 F106 N111 M112 Y320 | F77-T108 HydrophobicContact CD2-CG2 4.41Å; F77-T108 HydrophobicContact CE2-CG2 4.05Å; F77-T108 WeakPolarHBondContact CE2-OG1 3.48Å; S104-T108 PolarHBondContact O-N 3.33Å; S104-T108 PolarHBondContact O-OG1 3.18Å; S105-T108 PolarHBondContact O-N 2.88Å; F106-T108 VanDerWaalsContact C-N 3.33Å; F106-T108 PolarHBondContact O-N 2.93Å; T108-N111 PolarHBondContact O-N 3.47Å; T108-M112 PolarHBondContact O-N 2.7Å; T108-Y320 HydrophobicContact CG2-CE1 3.65Å |
| 109 | A | 95.1 | Very high | 95.5 | Very high | 24 Ų | 24 | 23.4 Ų | 23.4 | 20% | 0.198 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.5 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S105 F106 N111 M112 Y113 A163 | S105-A109 PolarHBondContact O-N 2.96Å; S105-A109 VanDerWaalsContact O-N 3.08Å; F106-A109 PolarHBondContact O-N 2.88Å; A109-N111 VanDerWaalsContact C-N 3.35Å; A109-N111 PolarHBondContact O-N 2.96Å; A109-M112 WeakPolarHBondContact O-CB 3.17Å; A109-M112 PolarHBondContact O-N 3.45Å; A109-Y113 WeakPolarHBondContact O-CD2 3.45Å; A109-Y113 PolarHBondContact O-N 3.44Å; A109-A163 HydrophobicContact CB-CB 3.78Å |
| 110 | L | 96.7 | Very high | 95.3 | Very high | 14 Ų | 14 | 19.9 Ų | 19.9 | 7% | 0.073 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.6 | -46.2 | 176.3 | 179.1 | 67.4 | 0 | 0 | 0 | 110.6 | F106 L107 M112 Y113 A114 W156 A159 A160 A163 | F106-L110 HydrophobicContact CE1-CB 4.44Å; F106-L110 HydrophobicContact CE1-CD2 3.88Å; F106-L110 HydrophobicContact CZ-CB 4.49Å; F106-L110 HydrophobicContact CZ-CD1 4.46Å; F106-L110 HydrophobicContact CZ-CD2 4.21Å; F106-L110 VanDerWaalsContact O-CB 3.24Å; F106-L110 WeakPolarHBondContact O-CB 3.25Å; F106-L110 PolarHBondContact O-N 2.87Å; L107-L110 HydrophobicContact CD2-CD2 4.09Å; L110-M112 PolarHBondContact O-N 2.9Å; L110-Y113 PolarHBondContact O-N 3.46Å; L110-A114 WeakPolarHBondContact O-CB 3.43Å; L110-A114 PolarHBondContact O-N 2.92Å; L110-W156 HydrophobicContact CD1-CE3 4.41Å; L110-W156 HydrophobicContact CD2-CE3 4.46Å; L110-W156 HydrophobicContact CD2-CZ3 3.99Å; L110-W156 HydrophobicContact CG-CZ3 4.35Å; L110-A159 HydrophobicContact CD1-CB 3.9Å; L110-A160 HydrophobicContact CD1-CB 4.05Å; L110-A163 HydrophobicContact CB-CB 4.09Å |
| 111 | N | 96 | Very high | 95 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.7 | -45.5 | 176.9 | 174.6 | 44.6 | 0 | 0 | 0 | 112 | D74 F77 L107 T108 A109 Y113 S115 S323 | D74-N111 PolarHBondContact OD1-OD1 3.22Å; F77-N111 HydrophobicContact CB-CB 3.54Å; F77-N111 VanDerWaalsContact CD1-ND2 3.33Å; F77-N111 WeakPolarHBondContact CD1-ND2 3.44Å; F77-N111 HydrophobicContact CG-CB 4.07Å; F77-N111 WeakPolarHBondContact CG-ND2 3.37Å; L107-N111 VanDerWaalsContact O-CB 3.29Å; L107-N111 WeakPolarHBondContact O-CB 3.35Å; L107-N111 PolarHBondContact O-N 3.46Å; T108-N111 PolarHBondContact O-N 3.47Å; A109-N111 VanDerWaalsContact C-N 3.35Å; A109-N111 PolarHBondContact O-N 2.96Å; N111-Y113 PolarHBondContact O-N 3.47Å; N111-S115 WeakPolarHBondContact O-CB 3.41Å; N111-S115 PolarHBondContact O-N 3.47Å; N111-S115 PolarHBondContact O-OG 2.84Å; N111-S115 PolarHBondContact OD1-OG 3.28Å; N111-S323 PolarHBondContact ND2-OG 3.47Å |
| 112 | M | 94.1 | Very high | 94.6 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 5% | 0.054 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -53.8 | -52.4 | 176.8 | -171.4 | -172.1 | 76.4 | 0 | 0 | 111.6 | T108 A109 L110 V116 S224 W280 | T108-M112 PolarHBondContact O-N 2.7Å; A109-M112 WeakPolarHBondContact O-CB 3.17Å; A109-M112 PolarHBondContact O-N 3.45Å; L110-M112 PolarHBondContact O-N 2.9Å; M112-V116 WeakPolarHBondContact O-CB 3.31Å; M112-V116 WeakPolarHBondContact O-CG1 3.35Å; M112-V116 PolarHBondContact O-N 3.49Å; M112-V116 VanDerWaalsContact O-N 3.17Å; M112-S224 WeakPolarHBondContact CE-OG 3.3Å; M112-W280 HydrophobicContact CB-CH2 3.49Å; M112-W280 VanDerWaalsContact CB-CH2 3.49Å; M112-W280 HydrophobicContact CB-CZ2 3.91Å; M112-W280 HydrophobicContact CB-CZ3 4.01Å; M112-W280 HydrophobicContact CG-CD2 4.31Å; M112-W280 HydrophobicContact CG-CE3 3.91Å; M112-W280 HydrophobicContact CG-CH2 3.43Å; M112-W280 VanDerWaalsContact CG-CH2 3.43Å; M112-W280 HydrophobicContact CG-CZ2 3.84Å; M112-W280 HydrophobicContact CG-CZ3 3.46Å; M112-W280 VanDerWaalsContact CG-CZ3 3.46Å; M112-W280 HydrophobicContact SD-CE3 3.93Å; M112-W280 HydrophobicContact SD-CH2 3.99Å; M112-W280 HydrophobicContact SD-CZ3 3.45Å; M112-W280 WeakPolarHBondContact SD-CZ3 3.48Å |
| 113 | Y | 95.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 17 Ų | 17 | 3% | 0.027 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -71.7 | -45.7 | -177.7 | -67.6 | -57.1 | 0 | 0 | 0 | 112.9 | A109 L110 N111 S115 V116 F117 L162 A163 K223 S224 I227 | A109-Y113 WeakPolarHBondContact O-CD2 3.45Å; A109-Y113 PolarHBondContact O-N 3.44Å; L110-Y113 PolarHBondContact O-N 3.46Å; N111-Y113 PolarHBondContact O-N 3.47Å; Y113-S115 VanDerWaalsContact C-N 3.32Å; Y113-S115 PolarHBondContact O-N 3.4Å; Y113-V116 WeakPolarHBondContact O-CG1 3.29Å; Y113-V116 PolarHBondContact O-N 3.32Å; Y113-F117 HydrophobicContact CD1-CE2 4.46Å; Y113-F117 HydrophobicContact CD1-CZ 4.22Å; Y113-F117 WeakPolarHBondContact O-CB 3.49Å; Y113-F117 WeakPolarHBondContact O-CD2 3.33Å; Y113-F117 WeakPolarHBondContact O-CG 3.22Å; Y113-F117 PolarHBondContact O-N 3.26Å; Y113-L162 HydrophobicContact CD1-CB 4.35Å; Y113-L162 HydrophobicContact CD1-CD1 4.09Å; Y113-L162 HydrophobicContact CD2-CB 3.64Å; Y113-L162 HydrophobicContact CE1-CB 4.38Å; Y113-L162 HydrophobicContact CE1-CD1 4.36Å; Y113-L162 HydrophobicContact CE2-CB 3.66Å; Y113-L162 WeakPolarHBondContact CE2-O 3.21Å; Y113-L162 HydrophobicContact CG-CB 4.02Å; Y113-L162 HydrophobicContact CG-CD1 4.31Å; Y113-A163 HydrophobicContact CD2-CB 4.41Å; Y113-K223 VanDerWaalsContact CZ-NZ 3.26Å; Y113-K223 WeakPolarHBondContact OH-CE 3.34Å; Y113-K223 PolarHBondContact OH-NZ 3.39Å; Y113-S224 WeakPolarHBondContact OH-CA 3.48Å; Y113-I227 HydrophobicContact CE1-CB 4.41Å; Y113-I227 HydrophobicContact CE1-CG2 4.23Å |
| 114 | A | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.7 | -41.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A73 L110 S118 A159 | A73-A114 HydrophobicContact CB-CB 3.89Å; L110-A114 WeakPolarHBondContact O-CB 3.43Å; L110-A114 PolarHBondContact O-N 2.92Å; A114-S118 VanDerWaalsContact O-CB 3.24Å; A114-S118 WeakPolarHBondContact O-CB 3.43Å; A114-S118 PolarHBondContact O-N 3.14Å; A114-S118 PolarHBondContact O-OG 3.5Å; A114-A159 HydrophobicContact CB-CB 4.02Å |
| 115 | S | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.5 | -49.2 | 177.7 | -72.1 | 0 | 0 | 0 | 0 | 111.7 | L70 N111 Y113 F117 S118 L119 | L70-S115 VanDerWaalsContact CD1-OG 3.28Å; L70-S115 WeakPolarHBondContact CD1-OG 3.36Å; N111-S115 WeakPolarHBondContact O-CB 3.41Å; N111-S115 PolarHBondContact O-N 3.47Å; N111-S115 PolarHBondContact O-OG 2.84Å; N111-S115 PolarHBondContact OD1-OG 3.28Å; Y113-S115 VanDerWaalsContact C-N 3.32Å; Y113-S115 PolarHBondContact O-N 3.4Å; S115-F117 PolarHBondContact O-N 2.86Å; S115-S118 PolarHBondContact O-N 3.45Å; S115-L119 WeakPolarHBondContact O-CG 3.02Å; S115-L119 PolarHBondContact O-N 2.94Å |
| 116 | V | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.006 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | -177.1 | 83 | 0 | 0 | 0 | 0 | 112.4 | M112 Y113 L119 S120 P232 F276 | M112-V116 WeakPolarHBondContact O-CB 3.31Å; M112-V116 WeakPolarHBondContact O-CG1 3.35Å; M112-V116 PolarHBondContact O-N 3.49Å; M112-V116 VanDerWaalsContact O-N 3.17Å; Y113-V116 WeakPolarHBondContact O-CG1 3.29Å; Y113-V116 PolarHBondContact O-N 3.32Å; V116-L119 PolarHBondContact O-N 3.42Å; V116-S120 WeakPolarHBondContact O-CB 3.41Å; V116-S120 PolarHBondContact O-N 3.36Å; V116-S120 PolarHBondContact O-OG 3.48Å; V116-P232 HydrophobicContact CB-CG 4.27Å; V116-P232 HydrophobicContact CG1-CG 3.87Å; V116-P232 HydrophobicContact CG2-CB 3.34Å; V116-P232 HydrophobicContact CG2-CG 3.37Å; V116-F276 HydrophobicContact CB-CE1 4.02Å; V116-F276 HydrophobicContact CB-CE2 3.96Å; V116-F276 HydrophobicContact CB-CZ 3.49Å; V116-F276 VanDerWaalsContact CB-CZ 3.49Å; V116-F276 HydrophobicContact CG2-CD1 4.17Å; V116-F276 HydrophobicContact CG2-CE1 3.43Å; V116-F276 VanDerWaalsContact CG2-CE1 3.43Å; V116-F276 HydrophobicContact CG2-CE2 4.22Å; V116-F276 HydrophobicContact CG2-CZ 3.47Å; V116-F276 VanDerWaalsContact CG2-CZ 3.47Å |
| 117 | F | 93.8 | Very high | 91.4 | Very high | 34 Ų | 34 | 15.3 Ų | 15.3 | 15% | 0.149 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -69.1 | -36.8 | 175.1 | -63.7 | -27.5 | 0 | 0 | 0 | 112.3 | Y113 S115 S120 M121 V155 V158 A159 L162 I227 | Y113-F117 HydrophobicContact CD1-CE2 4.46Å; Y113-F117 HydrophobicContact CD1-CZ 4.22Å; Y113-F117 WeakPolarHBondContact O-CB 3.49Å; Y113-F117 WeakPolarHBondContact O-CD2 3.33Å; Y113-F117 WeakPolarHBondContact O-CG 3.22Å; Y113-F117 PolarHBondContact O-N 3.26Å; S115-F117 PolarHBondContact O-N 2.86Å; F117-S120 PolarHBondContact O-N 2.85Å; F117-M121 WeakPolarHBondContact O-CB 3.24Å; F117-M121 PolarHBondContact O-N 3.42Å; F117-V155 HydrophobicContact CB-CG1 3.91Å; F117-V155 HydrophobicContact CB-CG2 4.35Å; F117-V158 HydrophobicContact CE2-CG1 3.8Å; F117-V158 HydrophobicContact CZ-CG1 4.28Å; F117-A159 HydrophobicContact CD2-CB 4.3Å; F117-A159 HydrophobicContact CE2-CB 4.43Å; F117-L162 HydrophobicContact CE2-CD1 3.72Å; F117-L162 HydrophobicContact CZ-CD1 3.55Å; F117-I227 HydrophobicContact CE1-CG2 4.32Å; F117-I227 HydrophobicContact CZ-CG2 3.97Å |
| 118 | S | 92.9 | Very high | 90.6 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.014 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.4 | -45.7 | 174.1 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | A114 S115 M121 L122 | A114-S118 VanDerWaalsContact O-CB 3.24Å; A114-S118 WeakPolarHBondContact O-CB 3.43Å; A114-S118 PolarHBondContact O-N 3.14Å; A114-S118 PolarHBondContact O-OG 3.5Å; S115-S118 PolarHBondContact O-N 3.45Å; S118-M121 PolarHBondContact O-N 3.35Å; S118-L122 VanDerWaalsContact O-CB 3.23Å; S118-L122 WeakPolarHBondContact O-CB 3.25Å; S118-L122 PolarHBondContact O-N 2.94Å |
| 119 | L | 91 | Very high | 89.7 | Confident | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 175.7 | -70.6 | 173.7 | 0 | 0 | 0 | 112.7 | L70 S115 V116 L122 S123 L272 F276 | L70-L119 HydrophobicContact CD2-CD2 4.2Å; S115-L119 WeakPolarHBondContact O-CG 3.02Å; S115-L119 PolarHBondContact O-N 2.94Å; V116-L119 PolarHBondContact O-N 3.42Å; L119-L122 PolarHBondContact O-N 3.39Å; L119-S123 WeakPolarHBondContact O-CB 3.4Å; L119-S123 PolarHBondContact O-N 3.37Å; L119-S123 PolarHBondContact O-OG 3.24Å; L119-L272 HydrophobicContact CD2-CB 3.9Å; L119-L272 HydrophobicContact CD2-CD1 4.44Å; L119-F276 HydrophobicContact CD1-CB 3.78Å; L119-F276 HydrophobicContact CD1-CD2 3.93Å; L119-F276 HydrophobicContact CD1-CG 3.92Å |
| 120 | S | 91.9 | Very high | 88.7 | Confident | 10 Ų | 10 | 19.1 Ų | 19.1 | 7% | 0.07 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.1 | -49.4 | 176.1 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | V116 F117 L122 S123 V124 | V116-S120 WeakPolarHBondContact O-CB 3.41Å; V116-S120 PolarHBondContact O-N 3.36Å; V116-S120 PolarHBondContact O-OG 3.48Å; F117-S120 PolarHBondContact O-N 2.85Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.27Å; S120-S123 PolarHBondContact O-N 3.45Å; S120-V124 WeakPolarHBondContact O-CG2 3.3Å; S120-V124 PolarHBondContact O-N 3.42Å |
| 121 | M | 90.3 | Very high | 87.5 | Confident | 55 Ų | 55 | 20.4 Ų | 20.4 | 27% | 0.271 | 10% | 0.097 | S | C | . | . | H | α-helix | trans | -64.2 | -39.8 | 178.3 | -172.2 | 60.2 | 65.1 | 0 | 0 | 111.9 | L66 F117 S118 S123 V124 E125 I151 | L66-M121 HydrophobicContact CD1-CB 4.24Å; L66-M121 HydrophobicContact CD1-CG 3.82Å; L66-M121 HydrophobicContact CD2-CB 4.28Å; L66-M121 HydrophobicContact CD2-CG 4.12Å; F117-M121 WeakPolarHBondContact O-CB 3.24Å; F117-M121 PolarHBondContact O-N 3.42Å; S118-M121 PolarHBondContact O-N 3.35Å; M121-S123 VanDerWaalsContact C-N 3.27Å; M121-S123 PolarHBondContact O-N 3.47Å; M121-V124 PolarHBondContact O-N 3.05Å; M121-E125 WeakPolarHBondContact O-CB 3.08Å; M121-E125 PolarHBondContact O-N 3.36Å; M121-I151 HydrophobicContact CE-CG2 3.89Å; M121-I151 HydrophobicContact CG-CG2 3.86Å; M121-I151 HydrophobicContact SD-CG2 4.09Å |
| 122 | L | 88 | Confident | 85.9 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 175.4 | -175.2 | 60 | 0 | 0 | 0 | 111.4 | S118 L119 S120 R126 I269 | S118-L122 VanDerWaalsContact O-CB 3.23Å; S118-L122 WeakPolarHBondContact O-CB 3.25Å; S118-L122 PolarHBondContact O-N 2.94Å; L119-L122 PolarHBondContact O-N 3.39Å; S120-L122 VanDerWaalsContact C-N 3.35Å; S120-L122 PolarHBondContact O-N 3.27Å; L122-R126 WeakPolarHBondContact O-CG 3.23Å; L122-R126 PolarHBondContact O-N 3.01Å; L122-R126 VanDerWaalsContact O-N 3.14Å; L122-I269 HydrophobicContact CD1-CD1 3.91Å; L122-I269 HydrophobicContact CD1-CG1 4.47Å; L122-I269 HydrophobicContact CD2-CD1 4Å; L122-I269 HydrophobicContact CD2-CG1 3.66Å; L122-I269 HydrophobicContact CD2-CG2 4.18Å; L122-I269 HydrophobicContact CG-CD1 3.59Å; L122-I269 HydrophobicContact CG-CG1 3.81Å; L122-I269 HydrophobicContact CG-CG2 4.14Å |
| 123 | S | 87.3 | Confident | 84.2 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.014 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.1 | -42.3 | 177.6 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | L119 S120 M121 E125 R126 Y127 L236 Y240 | L119-S123 WeakPolarHBondContact O-CB 3.4Å; L119-S123 PolarHBondContact O-N 3.37Å; L119-S123 PolarHBondContact O-OG 3.24Å; S120-S123 PolarHBondContact O-N 3.45Å; M121-S123 VanDerWaalsContact C-N 3.27Å; M121-S123 PolarHBondContact O-N 3.47Å; S123-E125 VanDerWaalsContact C-N 3.35Å; S123-E125 PolarHBondContact O-N 3.39Å; S123-R126 PolarHBondContact O-N 2.94Å; S123-Y127 PolarHBondContact O-N 2.93Å; S123-L236 WeakPolarHBondContact OG-CD2 3.3Å; S123-Y240 PolarHBondContact OG-OH 3.03Å |
| 124 | V | 87.3 | Confident | 82.3 | Confident | 29 Ų | 29 | 32.9 Ų | 32.9 | 18% | 0.176 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 173.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | S120 M121 R126 Y127 W128 I235 | S120-V124 WeakPolarHBondContact O-CG2 3.3Å; S120-V124 PolarHBondContact O-N 3.42Å; M121-V124 PolarHBondContact O-N 3.05Å; V124-R126 VanDerWaalsContact C-N 3.31Å; V124-R126 PolarHBondContact O-N 3.37Å; V124-Y127 WeakPolarHBondContact O-CB 3.5Å; V124-Y127 PolarHBondContact O-N 3.35Å; V124-W128 HydrophobicContact CG1-CD2 3.82Å; V124-W128 HydrophobicContact CG1-CE3 3.8Å; V124-W128 HydrophobicContact CG1-CH2 3.43Å; V124-W128 VanDerWaalsContact CG1-CH2 3.43Å; V124-W128 HydrophobicContact CG1-CZ2 3.45Å; V124-W128 VanDerWaalsContact CG1-CZ2 3.45Å; V124-W128 HydrophobicContact CG1-CZ3 3.61Å; V124-W128 PolarHBondContact O-N 3.14Å; V124-I235 HydrophobicContact CG2-CG2 4Å |
| 125 | E | 82.4 | Confident | 79.8 | Confident | 9 Ų | 9 | 41.8 Ų | 41.8 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 176.3 | -170.7 | -173.2 | -167.3 | 0 | 0 | 111.2 | S62 S63 M121 S123 W128 I129 R134 | S62-E125 WeakPolarHBondContact CB-OE1 3.41Å; S62-E125 PolarHBondContact OG-OE1 3.48Å; S63-E125 WeakPolarHBondContact CA-OE2 3.22Å; S63-E125 WeakPolarHBondContact CB-OE2 3.35Å; S63-E125 PolarHBondContact N-OE2 2.97Å; S63-E125 VanDerWaalsContact N-OE2 3.15Å; S63-E125 PolarHBondContact OG-OE2 3.31Å; M121-E125 WeakPolarHBondContact O-CB 3.08Å; M121-E125 PolarHBondContact O-N 3.36Å; S123-E125 VanDerWaalsContact C-N 3.35Å; S123-E125 PolarHBondContact O-N 3.39Å; E125-W128 PolarHBondContact O-N 3.44Å; E125-I129 HydrophobicContact CG-CD1 3.95Å; E125-I129 VanDerWaalsContact O-CG1 3.3Å; E125-I129 WeakPolarHBondContact O-CG1 3.31Å; E125-I129 PolarHBondContact O-N 2.98Å; E125-R134 IonicContact OE1-CZ 3.98Å; E125-R134 IonicContact OE1-NH1 2.94Å; E125-R134 PolarHBondContact OE1-NH1 3.13Å |
| 126 | R | 81.1 | Confident | 77.6 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.9 | -43.7 | 176 | -71 | -60 | 173 | -127.8 | -11.2 | 112.3 | S63 L122 S123 V124 W128 I129 L130 I269 | S63-R126 VanDerWaalsContact OG-CZ 3.3Å; S63-R126 PolarHBondContact OG-NH1 2.99Å; S63-R126 PolarHBondContact OG-NH2 2.83Å; L122-R126 WeakPolarHBondContact O-CG 3.23Å; L122-R126 PolarHBondContact O-N 3.01Å; L122-R126 VanDerWaalsContact O-N 3.14Å; S123-R126 PolarHBondContact O-N 2.94Å; V124-R126 VanDerWaalsContact C-N 3.31Å; V124-R126 PolarHBondContact O-N 3.37Å; R126-W128 VanDerWaalsContact C-N 3.33Å; R126-W128 PolarHBondContact O-N 3.19Å; R126-I129 PolarHBondContact O-N 2.96Å; R126-L130 HydrophobicContact CB-CD1 4.5Å; R126-L130 WeakPolarHBondContact O-CB 3.17Å; R126-L130 VanDerWaalsContact O-CG 3.23Å; R126-L130 WeakPolarHBondContact O-CG 3.31Å; R126-L130 PolarHBondContact O-N 3.42Å; R126-I269 HydrophobicContact CG-CD1 3.25Å |
| 127 | Y | 80.4 | Confident | 75 | Confident | 40 Ų | 40 | 49.2 Ų | 49.2 | 16% | 0.157 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.2 | -47.3 | 176.3 | 171.5 | -101.1 | 0 | 0 | 0 | 111.5 | S123 V124 L130 T131 R133 S242 | S123-Y127 PolarHBondContact O-N 2.93Å; V124-Y127 WeakPolarHBondContact O-CB 3.5Å; V124-Y127 PolarHBondContact O-N 3.35Å; Y127-L130 PolarHBondContact O-N 3.42Å; Y127-T131 HydrophobicContact CD2-CG2 3.9Å; Y127-T131 HydrophobicContact CE1-CG2 4.29Å; Y127-T131 HydrophobicContact CE2-CG2 3.46Å; Y127-T131 VanDerWaalsContact CE2-CG2 3.46Å; Y127-T131 HydrophobicContact CG-CG2 4.47Å; Y127-T131 WeakPolarHBondContact O-CB 3.44Å; Y127-T131 WeakPolarHBondContact O-CG2 3.45Å; Y127-T131 PolarHBondContact O-N 3.49Å; Y127-T131 PolarHBondContact O-OG1 3.17Å; Y127-R133 PolarHBondContact OH-NH1 3.07Å; Y127-S242 WeakPolarHBondContact CE2-OG 3.07Å |
| 128 | W | 80.2 | Confident | 72.5 | Confident | 92 Ų | 92 | 56.9 Ų | 56.9 | 35% | 0.348 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 178.5 | -71 | -30 | 0 | 0 | 0 | 114.2 | V124 E125 R126 T131 G132 R133 R134 | V124-W128 HydrophobicContact CG1-CD2 3.82Å; V124-W128 HydrophobicContact CG1-CE3 3.8Å; V124-W128 HydrophobicContact CG1-CH2 3.43Å; V124-W128 VanDerWaalsContact CG1-CH2 3.43Å; V124-W128 HydrophobicContact CG1-CZ2 3.45Å; V124-W128 VanDerWaalsContact CG1-CZ2 3.45Å; V124-W128 HydrophobicContact CG1-CZ3 3.61Å; V124-W128 PolarHBondContact O-N 3.14Å; E125-W128 PolarHBondContact O-N 3.44Å; R126-W128 VanDerWaalsContact C-N 3.33Å; R126-W128 PolarHBondContact O-N 3.19Å; W128-T131 WeakPolarHBondContact CA-OG1 3.33Å; W128-T131 PolarHBondContact O-OG1 2.73Å; W128-G132 PolarHBondContact O-N 2.94Å; W128-R133 PolarHBondContact O-N 3.31Å; W128-R134 HydrophobicContact CB-CB 4.45Å; W128-R134 PolarHBondContact O-N 2.81Å |
| 129 | I | 75.6 | Confident | 69.7 | Low | 46 Ų | 46 | 64.7 Ų | 64.7 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 176.2 | -70.3 | 168.1 | 0 | 0 | 0 | 110.3 | E125 R126 G132 | E125-I129 HydrophobicContact CG-CD1 3.95Å; E125-I129 VanDerWaalsContact O-CG1 3.3Å; E125-I129 WeakPolarHBondContact O-CG1 3.31Å; E125-I129 PolarHBondContact O-N 2.98Å; R126-I129 PolarHBondContact O-N 2.96Å; I129-G132 PolarHBondContact O-N 2.93Å |
| 130 | L | 73.9 | Confident | 67.5 | Low | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.094 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -75.8 | -34.1 | -175.4 | -70.2 | 168.9 | 0 | 0 | 0 | 113.2 | R126 Y127 G132 L243 L246 F251 Q262 L266 | R126-L130 HydrophobicContact CB-CD1 4.5Å; R126-L130 WeakPolarHBondContact O-CB 3.17Å; R126-L130 VanDerWaalsContact O-CG 3.23Å; R126-L130 WeakPolarHBondContact O-CG 3.31Å; R126-L130 PolarHBondContact O-N 3.42Å; Y127-L130 PolarHBondContact O-N 3.42Å; L130-G132 PolarHBondContact O-N 3.01Å; L130-L243 HydrophobicContact CB-CD1 3.43Å; L130-L243 VanDerWaalsContact CB-CD1 3.43Å; L130-L243 HydrophobicContact CD1-CD1 3.46Å; L130-L243 VanDerWaalsContact CD1-CD1 3.46Å; L130-L243 HydrophobicContact CD1-CD2 3.54Å; L130-L243 HydrophobicContact CD1-CG 4.08Å; L130-L243 HydrophobicContact CG-CD1 4.04Å; L130-L246 VanDerWaalsContact O-CD2 3.3Å; L130-L246 WeakPolarHBondContact O-CD2 3.28Å; L130-F251 HydrophobicContact CD2-CE2 4.4Å; L130-F251 HydrophobicContact CD2-CZ 3.91Å; L130-Q262 HydrophobicContact CD2-CB 3.98Å; L130-Q262 HydrophobicContact CD2-CG 4.17Å; L130-Q262 VanDerWaalsContact CD2-OE1 3.29Å; L130-L266 HydrophobicContact CD1-CD1 4.33Å |
| 131 | T | 72.6 | Confident | 65.2 | Low | 40 Ų | 40 | 72.8 Ų | 72.8 | 25% | 0.245 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4.3 | 175.8 | 51.8 | 0 | 0 | 0 | 0 | 113.9 | Y127 W128 R133 L246 | Y127-T131 HydrophobicContact CD2-CG2 3.9Å; Y127-T131 HydrophobicContact CE1-CG2 4.29Å; Y127-T131 HydrophobicContact CE2-CG2 3.46Å; Y127-T131 VanDerWaalsContact CE2-CG2 3.46Å; Y127-T131 HydrophobicContact CG-CG2 4.47Å; Y127-T131 WeakPolarHBondContact O-CB 3.44Å; Y127-T131 WeakPolarHBondContact O-CG2 3.45Å; Y127-T131 PolarHBondContact O-N 3.49Å; Y127-T131 PolarHBondContact O-OG1 3.17Å; W128-T131 WeakPolarHBondContact CA-OG1 3.33Å; W128-T131 PolarHBondContact O-OG1 2.73Å; T131-R133 PolarHBondContact O-N 3.3Å; T131-R133 VanDerWaalsContact O-N 3.14Å; T131-L246 HydrophobicContact CG2-CD2 3.81Å |
| 132 | G | 62.9 | Low | 63.1 | Low | 36 Ų | 36 | 76 Ų | 76 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 3.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | W128 I129 L130 R134 | W128-G132 PolarHBondContact O-N 2.94Å; I129-G132 PolarHBondContact O-N 2.93Å; L130-G132 PolarHBondContact O-N 3.01Å; G132-R134 CarbonylContact O-C 3.54Å; G132-R134 PolarHBondContact O-N 3.34Å |
| 133 | R | 57.6 | Low | 61.4 | Low | 179 Ų | 179 | 82.2 Ų | 82.2 | 68% | 0.675 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -64.3 | -19.6 | 173.9 | -73 | -177.7 | 175.1 | 174.9 | 0.4 | 112.4 | Y127 W128 T131 | Y127-R133 PolarHBondContact OH-NH1 3.07Å; W128-R133 PolarHBondContact O-N 3.31Å; T131-R133 PolarHBondContact O-N 3.3Å; T131-R133 VanDerWaalsContact O-N 3.14Å |
| 134 | R | 55 | Low | 59.8 | Low | 69 Ų | 69 | 86.2 Ų | 86.2 | 26% | 0.26 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -102.5 | 107.7 | 164.4 | -159.7 | 168.7 | -178.2 | -170.4 | -2 | 106.3 | S62 E125 W128 G132 S136 | S62-R134 PolarHBondContact OG-NH2 3.06Å; E125-R134 IonicContact OE1-CZ 3.98Å; E125-R134 IonicContact OE1-NH1 2.94Å; E125-R134 PolarHBondContact OE1-NH1 3.13Å; W128-R134 HydrophobicContact CB-CB 4.45Å; W128-R134 PolarHBondContact O-N 2.81Å; G132-R134 CarbonylContact O-C 3.54Å; G132-R134 PolarHBondContact O-N 3.34Å; R134-S136 PolarHBondContact O-N 3.43Å; R134-S136 VanDerWaalsContact O-N 3.13Å |
| 135 | H | 43.3 | Very low | 58.6 | Low | 187 Ų | 187 | 89.9 Ų | 89.9 | 87% | 0.866 | 48% | 0.483 | S | S | * | . | trans | -41.6 | 117.7 | -171.4 | -84.8 | -8.2 | 0 | 0 | 0 | 113.2 | ||||
| 136 | S | 48.7 | Very low | 58.1 | Low | 103 Ų | 103 | 94.4 Ų | 94.4 | 72% | 0.72 | 51% | 0.507 | S | S | * | . | trans | -96.8 | 88.1 | 166.1 | -155.4 | 0 | 0 | 0 | 0 | 106.5 | R134 | R134-S136 PolarHBondContact O-N 3.43Å; R134-S136 VanDerWaalsContact O-N 3.13Å | ||
| 137 | G | 39.9 | Very low | 58 | Low | 54 Ų | 54 | 100.9 Ų | 100.9 | 56% | 0.557 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -169.3 | 96.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q139 | G137-Q139 VanDerWaalsContact C-N 3.32Å; G137-Q139 PolarHBondContact O-N 3.12Å |
| 138 | H | 40.4 | Very low | 58.1 | Low | 196 Ų | 196 | 100.3 Ų | 100.3 | 91% | 0.907 | 53% | 0.533 | S | S | * | . | S | Bend | trans | 42.3 | 35.3 | 148.2 | -74.6 | 83.8 | 0 | 0 | 0 | 120.7 | ||
| 139 | Q | 34.7 | Very low | 58.4 | Low | 166 Ų | 166 | 100.9 Ų | 100.9 | 78% | 0.776 | 54% | 0.542 | S | S | * | . | trans | -170.9 | 126.6 | 146.2 | -109.9 | 151.4 | -12.3 | 0 | 0 | 108.8 | G137 S141 | G137-Q139 VanDerWaalsContact C-N 3.32Å; G137-Q139 PolarHBondContact O-N 3.12Å; Q139-S141 VanDerWaalsContact C-N 3.27Å; Q139-S141 PolarHBondContact O-N 2.9Å | ||
| 140 | P | 43.8 | Very low | 59 | Low | 91 Ų | 91 | 107.1 Ų | 107.1 | 59% | 0.591 | 56% | 0.563 | S | S | * | * | trans | -68.4 | 95.6 | 165.4 | 27 | -24.2 | 0 | 0 | 0 | 106.6 | ||||
| 141 | S | 44.6 | Very low | 59.8 | Low | 92 Ų | 92 | 108.6 Ų | 108.6 | 64% | 0.643 | 57% | 0.57 | S | S | * | * | trans | -51.1 | 136.6 | 162.4 | -32.1 | 0 | 0 | 0 | 0 | 106.8 | Q139 R143 | Q139-S141 VanDerWaalsContact C-N 3.27Å; Q139-S141 PolarHBondContact O-N 2.9Å; S141-R143 PolarHBondContact O-N 2.86Å | ||
| 142 | P | 46.2 | Very low | 60.7 | Low | 123 Ų | 123 | 108.1 Ų | 108.1 | 80% | 0.799 | 57% | 0.566 | S | S | * | * | trans | -55.5 | 106.9 | 178.6 | 22.5 | -30.7 | 0 | 0 | 0 | 107 | C144 | P142-C144 PolarHBondContact O-N 3.17Š| ||
| 143 | R | 52.2 | Low | 62.2 | Low | 134 Ų | 134 | 109.4 Ų | 109.4 | 51% | 0.506 | 57% | 0.567 | S | S | . | * | trans | -64.1 | 113.7 | 173.9 | -76.1 | -179.2 | -168.4 | 131.5 | 7.4 | 104.8 | A60 S141 P145 | A60-R143 PolarHBondContact O-NH1 3.49Å; S141-R143 PolarHBondContact O-N 2.86Å; R143-P145 WeakPolarHBondContact O-CD 3.48Å | ||
| 144 | C | 53.1 | Low | 63.9 | Low | 87 Ų | 87 | 103.3 Ų | 103.3 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | trans | -55.6 | 115.6 | 174 | -60.9 | 0 | 0 | 0 | 0 | 108.2 | P142 N146 R147 | P142-C144 PolarHBondContact O-N 3.17Å; C144-N146 PolarHBondContact O-N 3.27Å; C144-R147 PolarHBondContact O-N 2.59Å | ||
| 145 | P | 62 | Low | 65.8 | Low | 106 Ų | 106 | 100.6 Ų | 100.6 | 69% | 0.688 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -50.5 | -30.1 | 178.2 | -27.4 | 35.3 | 0 | 0 | 0 | 112.3 | R143 R147 T148 L149 | R143-P145 WeakPolarHBondContact O-CD 3.48Å; P145-R147 VanDerWaalsContact C-N 3.33Å; P145-R147 PolarHBondContact O-N 2.94Å; P145-T148 PolarHBondContact O-N 3.45Å; P145-L149 PolarHBondContact O-N 2.94Å; P145-L149 VanDerWaalsContact O-N 3.16Å |
| 146 | N | 71.3 | Confident | 68.3 | Low | 103 Ų | 103 | 94.8 Ų | 94.8 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -54.4 | -39.4 | 178.1 | -65.9 | 8 | 0 | 0 | 0 | 113.6 | C144 L149 W150 | C144-N146 PolarHBondContact O-N 3.27Å; N146-L149 PolarHBondContact O-N 3.29Å; N146-W150 WeakPolarHBondContact O-CB 3.12Å; N146-W150 PolarHBondContact O-N 3.44Å |
| 147 | R | 80.6 | Confident | 70.6 | Confident | 156 Ų | 156 | 93.9 Ų | 93.9 | 59% | 0.589 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.8 | -43 | -175.8 | -176.8 | 178.6 | 171.8 | -176.2 | -0.4 | 112.4 | C144 P145 L149 W150 I151 | C144-R147 PolarHBondContact O-N 2.59Å; P145-R147 VanDerWaalsContact C-N 3.33Å; P145-R147 PolarHBondContact O-N 2.94Å; R147-L149 VanDerWaalsContact C-N 3.35Å; R147-W150 PolarHBondContact O-N 3.42Å; R147-I151 HydrophobicContact CG-CD1 4.25Å; R147-I151 WeakPolarHBondContact O-CG1 3.47Å; R147-I151 PolarHBondContact O-N 3.01Å; R147-I151 VanDerWaalsContact O-N 3.08Å |
| 148 | T | 81.8 | Confident | 73.3 | Confident | 29 Ų | 29 | 94.8 Ų | 94.8 | 18% | 0.178 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 178.3 | -63.4 | 0 | 0 | 0 | 0 | 110.7 | P145 I151 L152 | P145-T148 PolarHBondContact O-N 3.45Å; T148-I151 PolarHBondContact O-N 3.34Å; T148-L152 HydrophobicContact CG2-CD1 4.31Å; T148-L152 WeakPolarHBondContact O-CG 3.39Å; T148-L152 PolarHBondContact O-N 3.37Å |
| 149 | L | 85.9 | Confident | 76 | Confident | 103 Ų | 103 | 85.5 Ų | 85.5 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59 | -47.9 | 172.7 | -178.6 | 63.5 | 0 | 0 | 0 | 111.7 | P145 N146 R147 I151 L152 V153 | P145-L149 PolarHBondContact O-N 2.94Å; P145-L149 VanDerWaalsContact O-N 3.16Å; N146-L149 PolarHBondContact O-N 3.29Å; R147-L149 VanDerWaalsContact C-N 3.35Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.25Å; L149-L152 PolarHBondContact O-N 3.43Å; L149-L152 VanDerWaalsContact O-N 3.15Å; L149-V153 HydrophobicContact CD1-CG2 4.23Å; L149-V153 HydrophobicContact CG-CG2 4.37Å; L149-V153 WeakPolarHBondContact O-CG2 3.28Å; L149-V153 PolarHBondContact O-N 2.03Å |
| 150 | W | 89.5 | Confident | 79 | Confident | 178 Ų | 178 | 79 Ų | 79 | 67% | 0.674 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.9 | -40.4 | 177.5 | -80.2 | 121.8 | 0 | 0 | 0 | 113.1 | N146 R147 A154 | N146-W150 WeakPolarHBondContact O-CB 3.12Å; N146-W150 PolarHBondContact O-N 3.44Å; R147-W150 PolarHBondContact O-N 3.42Å; W150-A154 VanDerWaalsContact O-CB 3.26Å; W150-A154 WeakPolarHBondContact O-CB 3.3Å; W150-A154 PolarHBondContact O-N 2.74Å |
| 151 | I | 89.6 | Confident | 81.6 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 25% | 0.246 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.5 | -70.2 | 166.1 | 0 | 0 | 0 | 110.5 | M121 R147 T148 L149 A154 V155 | M121-I151 HydrophobicContact CE-CG2 3.89Å; M121-I151 HydrophobicContact CG-CG2 3.86Å; M121-I151 HydrophobicContact SD-CG2 4.09Å; R147-I151 HydrophobicContact CG-CD1 4.25Å; R147-I151 WeakPolarHBondContact O-CG1 3.47Å; R147-I151 PolarHBondContact O-N 3.01Å; R147-I151 VanDerWaalsContact O-N 3.08Å; T148-I151 PolarHBondContact O-N 3.34Å; L149-I151 VanDerWaalsContact C-N 3.33Å; L149-I151 PolarHBondContact O-N 3.25Å; I151-A154 PolarHBondContact O-N 2.91Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.29Å; I151-V155 PolarHBondContact O-N 3.15Å |
| 152 | L | 91.8 | Very high | 84 | Confident | 30 Ų | 30 | 76 Ų | 76 | 16% | 0.157 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 178.3 | -70.4 | 169.2 | 0 | 0 | 0 | 111.2 | L66 T148 L149 A154 V155 W156 | L66-L152 HydrophobicContact CD2-CD2 3.86Å; T148-L152 HydrophobicContact CG2-CD1 4.31Å; T148-L152 WeakPolarHBondContact O-CG 3.39Å; T148-L152 PolarHBondContact O-N 3.37Å; L149-L152 PolarHBondContact O-N 3.43Å; L149-L152 VanDerWaalsContact O-N 3.15Å; L152-A154 VanDerWaalsContact C-N 3.26Å; L152-A154 PolarHBondContact O-N 2.93Å; L152-V155 PolarHBondContact O-N 3.37Å; L152-V155 VanDerWaalsContact O-N 3.09Å; L152-W156 PolarHBondContact O-N 3.08Å |
| 153 | V | 93.3 | Very high | 86.4 | Confident | 64 Ų | 64 | 70.1 Ų | 70.1 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.3 | -45.1 | 177 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | L149 V155 W156 V157 | L149-V153 HydrophobicContact CD1-CG2 4.23Å; L149-V153 HydrophobicContact CG-CG2 4.37Å; L149-V153 WeakPolarHBondContact O-CG2 3.28Å; L149-V153 PolarHBondContact O-N 2.03Å; V153-V155 PolarHBondContact O-N 3.22Å; V153-W156 PolarHBondContact O-N 2.64Å; V153-V157 HydrophobicContact CG1-CG2 4.12Å; V153-V157 WeakPolarHBondContact O-CB 3.45Å; V153-V157 VanDerWaalsContact O-CG2 3.23Å; V153-V157 WeakPolarHBondContact O-CG2 3.41Å; V153-V157 PolarHBondContact O-N 3.03Å |
| 154 | A | 94.2 | Very high | 88.5 | Confident | 50 Ų | 50 | 67 Ų | 67 | 41% | 0.413 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W150 I151 L152 W156 V157 V158 | W150-A154 VanDerWaalsContact O-CB 3.26Å; W150-A154 WeakPolarHBondContact O-CB 3.3Å; W150-A154 PolarHBondContact O-N 2.74Å; I151-A154 PolarHBondContact O-N 2.91Å; L152-A154 VanDerWaalsContact C-N 3.26Å; L152-A154 PolarHBondContact O-N 2.93Å; A154-W156 VanDerWaalsContact C-N 3.34Å; A154-W156 PolarHBondContact O-N 3.44Å; A154-V157 PolarHBondContact O-N 3.43Å; A154-V158 WeakPolarHBondContact O-CB 3.2Å; A154-V158 WeakPolarHBondContact O-CG2 3.47Å; A154-V158 PolarHBondContact O-N 2.99Å |
| 155 | V | 94.1 | Very high | 90.3 | Very high | 13 Ų | 13 | 64.7 Ų | 64.7 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.8 | -47.4 | 176.6 | 165.6 | 0 | 0 | 0 | 0 | 111 | F117 I151 L152 V153 A159 | F117-V155 HydrophobicContact CB-CG1 3.91Å; F117-V155 HydrophobicContact CB-CG2 4.35Å; I151-V155 VanDerWaalsContact O-CG2 3.31Å; I151-V155 WeakPolarHBondContact O-CG2 3.29Å; I151-V155 PolarHBondContact O-N 3.15Å; L152-V155 PolarHBondContact O-N 3.37Å; L152-V155 VanDerWaalsContact O-N 3.09Å; V153-V155 PolarHBondContact O-N 3.22Å; V155-A159 WeakPolarHBondContact O-CB 3.1Å; V155-A159 PolarHBondContact O-N 3.18Å |
| 156 | W | 96.9 | Very high | 91.6 | Very high | 64 Ų | 64 | 60 Ų | 60 | 24% | 0.242 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.4 | -43.2 | -178.7 | -79.6 | 93.7 | 0 | 0 | 0 | 112.8 | S69 L72 A73 L110 L152 V153 A154 A159 A160 | S69-W156 PolarHBondContact OG-NE1 3.21Å; L72-W156 HydrophobicContact CB-CZ2 4.25Å; L72-W156 HydrophobicContact CD2-CH2 4.19Å; L72-W156 HydrophobicContact CD2-CZ2 3.89Å; L72-W156 HydrophobicContact CG-CH2 4.08Å; L72-W156 HydrophobicContact CG-CZ2 4.09Å; A73-W156 HydrophobicContact CB-CH2 3.94Å; A73-W156 HydrophobicContact CB-CZ2 4.29Å; L110-W156 HydrophobicContact CD1-CE3 4.41Å; L110-W156 HydrophobicContact CD2-CE3 4.46Å; L110-W156 HydrophobicContact CD2-CZ3 3.99Å; L110-W156 HydrophobicContact CG-CZ3 4.35Å; L152-W156 PolarHBondContact O-N 3.08Å; V153-W156 PolarHBondContact O-N 2.64Å; A154-W156 VanDerWaalsContact C-N 3.34Å; A154-W156 PolarHBondContact O-N 3.44Å; W156-A159 PolarHBondContact O-N 3.08Å; W156-A160 VanDerWaalsContact O-CB 3.25Å; W156-A160 WeakPolarHBondContact O-CB 3.25Å; W156-A160 PolarHBondContact O-N 2.91Å |
| 157 | V | 97.4 | Very high | 92.7 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.5 | -47.8 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | V153 A154 A159 A160 V161 | V153-V157 HydrophobicContact CG1-CG2 4.12Å; V153-V157 WeakPolarHBondContact O-CB 3.45Å; V153-V157 VanDerWaalsContact O-CG2 3.23Å; V153-V157 WeakPolarHBondContact O-CG2 3.41Å; V153-V157 PolarHBondContact O-N 3.03Å; A154-V157 PolarHBondContact O-N 3.43Å; V157-A159 PolarHBondContact O-N 3.43Å; V157-A160 PolarHBondContact O-N 3.35Å; V157-V161 HydrophobicContact CG1-CG2 4.45Å; V157-V161 WeakPolarHBondContact O-CB 3.06Å; V157-V161 VanDerWaalsContact O-CG2 3.29Å; V157-V161 WeakPolarHBondContact O-CG2 3.36Å; V157-V161 PolarHBondContact O-N 3.3Å |
| 158 | V | 96.7 | Very high | 93.3 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | F117 A154 A160 V161 L162 | F117-V158 HydrophobicContact CE2-CG1 3.8Å; F117-V158 HydrophobicContact CZ-CG1 4.28Å; A154-V158 WeakPolarHBondContact O-CB 3.2Å; A154-V158 WeakPolarHBondContact O-CG2 3.47Å; A154-V158 PolarHBondContact O-N 2.99Å; V158-A160 PolarHBondContact O-N 3.17Å; V158-V161 PolarHBondContact O-N 2.96Å; V158-L162 HydrophobicContact CG1-CD1 3.83Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-L162 WeakPolarHBondContact O-CB 3.13Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 3.47Å |
| 159 | A | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L110 A114 F117 V155 W156 V157 L162 A163 | L110-A159 HydrophobicContact CD1-CB 3.9Å; A114-A159 HydrophobicContact CB-CB 4.02Å; F117-A159 HydrophobicContact CD2-CB 4.3Å; F117-A159 HydrophobicContact CE2-CB 4.43Å; V155-A159 WeakPolarHBondContact O-CB 3.1Å; V155-A159 PolarHBondContact O-N 3.18Å; W156-A159 PolarHBondContact O-N 3.08Å; V157-A159 PolarHBondContact O-N 3.43Å; A159-L162 PolarHBondContact O-N 3.49Å; A159-A163 VanDerWaalsContact O-CB 3.28Å; A159-A163 WeakPolarHBondContact O-CB 3.12Å; A159-A163 PolarHBondContact O-N 2.89Å |
| 160 | A | 97.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 52 Ų | 52 | 25% | 0.248 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F106 L110 W156 V157 V158 L162 A163 L164 | F106-A160 HydrophobicContact CZ-CB 4.27Å; L110-A160 HydrophobicContact CD1-CB 4.05Å; W156-A160 VanDerWaalsContact O-CB 3.25Å; W156-A160 WeakPolarHBondContact O-CB 3.25Å; W156-A160 PolarHBondContact O-N 2.91Å; V157-A160 PolarHBondContact O-N 3.35Å; V158-A160 PolarHBondContact O-N 3.17Å; A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 3.48Å; A160-A163 CarbonylContact O-C 3.47Å; A160-A163 WeakPolarHBondContact O-CA 3.39Å; A160-A163 PolarHBondContact O-N 3.39Å; A160-L164 WeakPolarHBondContact O-CG 3.43Å; A160-L164 PolarHBondContact O-N 2.9Å |
| 161 | V | 97.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 52% | 0.515 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.3 | -44.4 | 176 | 169.6 | 0 | 0 | 0 | 0 | 111 | V157 V158 A163 L164 | V157-V161 HydrophobicContact CG1-CG2 4.45Å; V157-V161 WeakPolarHBondContact O-CB 3.06Å; V157-V161 VanDerWaalsContact O-CG2 3.29Å; V157-V161 WeakPolarHBondContact O-CG2 3.36Å; V157-V161 PolarHBondContact O-N 3.3Å; V158-V161 PolarHBondContact O-N 2.96Å; V161-A163 VanDerWaalsContact C-N 3.28Å; V161-A163 PolarHBondContact O-N 2.87Å; V161-L164 WeakPolarHBondContact O-CB 3.46Å; V161-L164 PolarHBondContact O-N 3.23Å |
| 162 | L | 96 | Very high | 94.5 | Very high | 34 Ų | 34 | 43.8 Ų | 43.8 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.8 | -26.3 | 177.6 | -69.1 | 172.7 | 0 | 0 | 0 | 112.8 | Y113 F117 V158 A159 A160 P165 K223 I227 | Y113-L162 HydrophobicContact CD1-CB 4.35Å; Y113-L162 HydrophobicContact CD1-CD1 4.09Å; Y113-L162 HydrophobicContact CD2-CB 3.64Å; Y113-L162 HydrophobicContact CE1-CB 4.38Å; Y113-L162 HydrophobicContact CE1-CD1 4.36Å; Y113-L162 HydrophobicContact CE2-CB 3.66Å; Y113-L162 WeakPolarHBondContact CE2-O 3.21Å; Y113-L162 HydrophobicContact CG-CB 4.02Å; Y113-L162 HydrophobicContact CG-CD1 4.31Å; F117-L162 HydrophobicContact CE2-CD1 3.72Å; F117-L162 HydrophobicContact CZ-CD1 3.55Å; V158-L162 HydrophobicContact CG1-CD1 3.83Å; V158-L162 HydrophobicContact CG1-CG 4.39Å; V158-L162 WeakPolarHBondContact O-CB 3.13Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 3.47Å; A159-L162 PolarHBondContact O-N 3.49Å; A160-L162 VanDerWaalsContact C-N 3.29Å; A160-L162 PolarHBondContact O-N 3.48Å; L162-P165 WeakPolarHBondContact O-CD 3.15Å; L162-K223 VanDerWaalsContact CD2-CE 3.42Å; L162-K223 PolarHBondContact O-NZ 2.99Å; L162-I227 HydrophobicContact CD1-CG2 3.77Å; L162-I227 HydrophobicContact CD2-CD1 3.99Å |
| 163 | A | 96.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -85 | -14.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F106 A109 L110 Y113 A159 A160 V161 P165 G166 | F106-A163 HydrophobicContact CD2-CB 3.83Å; F106-A163 HydrophobicContact CE2-CB 3.69Å; A109-A163 HydrophobicContact CB-CB 3.78Å; L110-A163 HydrophobicContact CB-CB 4.09Å; Y113-A163 HydrophobicContact CD2-CB 4.41Å; A159-A163 VanDerWaalsContact O-CB 3.28Å; A159-A163 WeakPolarHBondContact O-CB 3.12Å; A159-A163 PolarHBondContact O-N 2.89Å; A160-A163 CarbonylContact O-C 3.47Å; A160-A163 WeakPolarHBondContact O-CA 3.39Å; A160-A163 PolarHBondContact O-N 3.39Å; V161-A163 VanDerWaalsContact C-N 3.28Å; V161-A163 PolarHBondContact O-N 2.87Å; A163-P165 VanDerWaalsContact C-N 3.33Å; A163-G166 PolarHBondContact O-N 3.08Å |
| 164 | L | 95 | Very high | 94.1 | Very high | 69 Ų | 69 | 47.7 Ų | 47.7 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -50.5 | -39.1 | -178.3 | -75.5 | 174.9 | 0 | 0 | 0 | 115.2 | A160 V161 G166 L167 L168 | A160-L164 WeakPolarHBondContact O-CG 3.43Å; A160-L164 PolarHBondContact O-N 2.9Å; V161-L164 WeakPolarHBondContact O-CB 3.46Å; V161-L164 PolarHBondContact O-N 3.23Å; L164-G166 PolarHBondContact O-N 2.79Å; L164-L167 WeakPolarHBondContact O-CB 3.28Å; L164-L167 PolarHBondContact O-N 3.1Å; L164-L168 PolarHBondContact O-N 3.37Å |
| 165 | P | 92.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 47.7 Ų | 47.7 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.6 | -34 | 176.4 | -26.5 | 36 | 0 | 0 | 0 | 112.8 | L162 A163 L167 L169 L220 | L162-P165 WeakPolarHBondContact O-CD 3.15Å; A163-P165 VanDerWaalsContact C-N 3.33Å; P165-L167 VanDerWaalsContact C-N 3.26Å; P165-L167 PolarHBondContact O-N 3.04Å; P165-L169 HydrophobicContact CB-CD1 4.06Å; P165-L169 VanDerWaalsContact O-CB 3.22Å; P165-L169 WeakPolarHBondContact O-CB 3.47Å; P165-L169 WeakPolarHBondContact O-CG 3.13Å; P165-L169 PolarHBondContact O-N 2.91Å; P165-L220 HydrophobicContact CB-CD1 4.21Å; P165-L220 HydrophobicContact CB-CD2 3.95Å; P165-L220 HydrophobicContact CG-CD2 4.03Å |
| 166 | G | 88.5 | Confident | 92.5 | Very high | 7 Ų | 7 | 55.1 Ų | 55.1 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.7 | -20.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.1 | A163 L164 R170 | A163-G166 PolarHBondContact O-N 3.08Å; L164-G166 PolarHBondContact O-N 2.79Å; G166-R170 VanDerWaalsContact O-CB 3.25Å; G166-R170 WeakPolarHBondContact O-CB 3.25Å; G166-R170 WeakPolarHBondContact O-CG 3.3Å |
| 167 | L | 93.6 | Very high | 91 | Very high | 54 Ų | 54 | 56.4 Ų | 56.4 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -87.1 | -45.6 | 173.5 | -172.4 | 71.6 | 0 | 0 | 0 | 111.3 | Q102 F106 L164 P165 | Q102-L167 HydrophobicContact CB-CD1 4.05Å; Q102-L167 WeakPolarHBondContact CG-O 3.19Å; F106-L167 HydrophobicContact CB-CB 3.98Å; F106-L167 HydrophobicContact CB-CD1 3.92Å; F106-L167 HydrophobicContact CD2-CB 3.91Å; F106-L167 HydrophobicContact CG-CB 4.19Å; F106-L167 HydrophobicContact CG-CD1 4.29Å; L164-L167 WeakPolarHBondContact O-CB 3.28Å; L164-L167 PolarHBondContact O-N 3.1Å; P165-L167 VanDerWaalsContact C-N 3.26Å; P165-L167 PolarHBondContact O-N 3.04Å |
| 168 | L | 93.1 | Very high | 88.9 | Confident | 106 Ų | 106 | 58.2 Ų | 58.2 | 56% | 0.555 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -80.5 | -35.5 | -171.3 | -63.3 | 176.9 | 0 | 0 | 0 | 113.1 | L164 | L164-L168 PolarHBondContact O-N 3.37Å |
| 169 | L | 92.7 | Very high | 86.6 | Confident | 13 Ų | 13 | 59.3 Ų | 59.3 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -100.5 | -9.1 | -172.8 | -51.6 | 178.4 | 0 | 0 | 0 | 112.8 | P165 M194 N195 Y196 L199 L220 | P165-L169 HydrophobicContact CB-CD1 4.06Å; P165-L169 VanDerWaalsContact O-CB 3.22Å; P165-L169 WeakPolarHBondContact O-CB 3.47Å; P165-L169 WeakPolarHBondContact O-CG 3.13Å; P165-L169 PolarHBondContact O-N 2.91Å; L169-M194 HydrophobicContact CB-SD 4.24Å; L169-N195 PolarHBondContact O-N 2.89Å; L169-Y196 HydrophobicContact CD1-CD1 4.26Å; L169-Y196 HydrophobicContact CD1-CE1 4.14Å; L169-L199 HydrophobicContact CD1-CD1 3.58Å; L169-L199 HydrophobicContact CD2-CD1 3.41Å; L169-L199 VanDerWaalsContact CD2-CD1 3.41Å; L169-L199 HydrophobicContact CD2-CG 4.31Å; L169-L199 HydrophobicContact CG-CD1 4.13Å; L169-L220 HydrophobicContact CD1-CD1 3.59Å |
| 170 | R | 93.6 | Very high | 84.3 | Confident | 51 Ų | 51 | 64.9 Ų | 64.9 | 19% | 0.192 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 131.2 | 173.4 | -80.6 | -71.8 | -161.9 | 165.8 | -5.1 | 110.3 | Q102 G166 C192 Q193 M194 | Q102-R170 HydrophobicContact CG-CB 4.31Å; Q102-R170 WeakPolarHBondContact CG-O 3.17Å; Q102-R170 PolarHBondContact NE2-O 2.77Å; G166-R170 VanDerWaalsContact O-CB 3.25Å; G166-R170 WeakPolarHBondContact O-CB 3.25Å; G166-R170 WeakPolarHBondContact O-CG 3.3Å; R170-C192 PolarHBondContact NH1-O 3.47Å; R170-Q193 WeakPolarHBondContact CA-O 3.23Å; R170-Q193 WeakPolarHBondContact CD-O 3.37Å; R170-M194 HydrophobicContact CG-CE 3.72Å; R170-M194 HydrophobicContact CG-SD 3.69Å; R170-M194 VanDerWaalsContact NE-CE 3.26Å |
| 171 | S | 94 | Very high | 81.8 | Confident | 17 Ų | 17 | 66.3 Ų | 66.3 | 12% | 0.119 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 166.6 | 171.2 | 65.7 | 0 | 0 | 0 | 0 | 110.6 | Q193 N195 | S171-Q193 PolarHBondContact N-O 2.72Å; S171-Q193 PolarHBondContact O-N 3.36Å; S171-Q193 VanDerWaalsContact O-O 3.12Å; S171-N195 WeakPolarHBondContact OG-CB 3.49Å; S171-N195 PolarHBondContact OG-ND2 2.85Å |
| 172 | V | 93.5 | Very high | 79.7 | Confident | 36 Ų | 36 | 71.8 Ų | 71.8 | 22% | 0.218 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 120.5 | 171.2 | 177.8 | 0 | 0 | 0 | 0 | 106.5 | W94 Q98 C101 L190 S191 | W94-V172 HydrophobicContact CG-CG2 4.45Å; Q98-V172 HydrophobicContact CB-CG2 4.39Å; C101-V172 HydrophobicContact CB-CG2 3.9Å; V172-L190 HydrophobicContact CG1-CB 3.84Å; V172-L190 HydrophobicContact CG1-CD2 3.93Å; V172-L190 HydrophobicContact CG1-CG 4.39Å; V172-S191 WeakPolarHBondContact CA-O 3.36Å |
| 173 | G | 88.3 | Confident | 77.6 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 24% | 0.237 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 154.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L190 S191 | G173-L190 CarbonylContact O-C 3.58Å; G173-L190 WeakPolarHBondContact O-CA 3.35Å; G173-S191 PolarHBondContact N-O 3.46Å; G173-S191 PolarHBondContact O-N 3.37Å |
| 174 | E | 86.9 | Confident | 75.3 | Confident | 153 Ų | 153 | 82.5 Ų | 82.5 | 72% | 0.715 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.3 | 172.7 | -71.2 | 176 | -178.7 | 0 | 0 | 108.9 | V188 L190 | E174-V188 HydrophobicContact CB-CG1 3.63Å; E174-V188 HydrophobicContact CG-CG1 3.68Å; E174-L190 HydrophobicContact CG-CD2 3.78Å |
| 175 | V | 81.3 | Confident | 73.1 | Confident | 51 Ų | 51 | 84.3 Ų | 84.3 | 31% | 0.309 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.8 | 175.1 | -174.7 | 0 | 0 | 0 | 0 | 107.5 | V189 | V175-V189 PolarHBondContact N-O 3.19Å; V175-V189 PolarHBondContact O-N 2.97Å |
| 176 | E | 73.7 | Confident | 71.3 | Confident | 168 Ų | 168 | 85.3 Ų | 85.3 | 79% | 0.785 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 124.6 | 170.6 | -68.4 | -179.7 | 175.3 | 0 | 0 | 108.6 | ||
| 177 | L | 65.4 | Low | 70.2 | Confident | 91 Ų | 91 | 86.7 Ų | 86.7 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 143 | 173.1 | -80.2 | 164.4 | 0 | 0 | 0 | 110.2 | S187 V189 | L177-S187 WeakPolarHBondContact CD1-OG 3.48Å; L177-V189 HydrophobicContact CD1-CG2 3.5Å; L177-V189 VanDerWaalsContact CD1-CG2 3.5Å; L177-V189 HydrophobicContact CG-CG2 4.05Å |
| 178 | D | 53.6 | Low | 69.5 | Low | 123 Ų | 123 | 87.7 Ų | 87.7 | 66% | 0.658 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 131.3 | -180 | -133.2 | -1.3 | 0 | 0 | 0 | 110.4 | T180 | D178-T180 PolarHBondContact O-N 2.81Š|
| 179 | P | 48.5 | Very low | 69.2 | Low | 96 Ų | 96 | 83.9 Ų | 83.9 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 12.2 | -169.1 | 28.8 | -34.5 | 0 | 0 | 0 | 114.7 | ||
| 180 | T | 49.5 | Very low | 69.1 | Low | 117 Ų | 117 | 86.3 Ų | 86.3 | 72% | 0.718 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -8.8 | -178 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | D178 E182 | D178-T180 PolarHBondContact O-N 2.81Å; T180-E182 PolarHBondContact O-N 3.41Å |
| 181 | S | 45.3 | Very low | 69 | Low | 60 Ų | 60 | 84.2 Ų | 84.2 | 42% | 0.42 | 48% | 0.483 | S | S | . | . | trans | -76 | 111.5 | 167.7 | 56.7 | 0 | 0 | 0 | 0 | 109.9 | D183 | S181-D183 PolarHBondContact O-N 3.17Š| ||
| 182 | E | 51.5 | Low | 69 | Low | 201 Ų | 201 | 83.5 Ų | 83.5 | 94% | 0.939 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -5.2 | -178.6 | -66.7 | -173.5 | 140.5 | 0 | 0 | 114.7 | T180 | T180-E182 PolarHBondContact O-N 3.41Š|
| 183 | D | 53 | Low | 68.9 | Low | 161 Ų | 161 | 85.8 Ų | 85.8 | 86% | 0.861 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -22.5 | -172.9 | -76.5 | -41.6 | 0 | 0 | 0 | 115.5 | S181 | S181-D183 PolarHBondContact O-N 3.17Š|
| 184 | D | 48.1 | Very low | 68.9 | Low | 98 Ų | 98 | 88.1 Ų | 88.1 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | trans | -165.1 | 98.1 | 175.1 | -153.8 | 17.3 | 0 | 0 | 0 | 114.1 | G186 | D184-G186 PolarHBondContact O-N 3.42Å; D184-G186 VanDerWaalsContact O-N 3.15Å | ||
| 185 | P | 47.8 | Very low | 68.9 | Low | 108 Ų | 108 | 83.8 Ų | 83.8 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 106.1 | 176 | 27.6 | -29.8 | 0 | 0 | 0 | 110.6 | ||
| 186 | G | 56.4 | Low | 69.2 | Low | 58 Ų | 58 | 82.3 Ų | 82.3 | 60% | 0.598 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.5 | 17.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | D184 V188 | D184-G186 PolarHBondContact O-N 3.42Å; D184-G186 VanDerWaalsContact O-N 3.15Å; G186-V188 PolarHBondContact O-N 2.97Å |
| 187 | S | 64.6 | Low | 69.6 | Low | 36 Ų | 36 | 77.6 Ų | 77.6 | 25% | 0.252 | 45% | 0.448 | S | S | . | . | trans | -67.1 | 114.7 | 175.2 | 64.8 | 0 | 0 | 0 | 0 | 111.2 | L177 | L177-S187 WeakPolarHBondContact CD1-OG 3.48Š| ||
| 188 | V | 78.6 | Confident | 70.3 | Confident | 74 Ų | 74 | 80.5 Ų | 80.5 | 45% | 0.448 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 124 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | E174 G186 | E174-V188 HydrophobicContact CB-CG1 3.63Å; E174-V188 HydrophobicContact CG-CG1 3.68Å; G186-V188 PolarHBondContact O-N 2.97Å |
| 189 | V | 86.6 | Confident | 71.6 | Confident | 26 Ų | 26 | 77.8 Ų | 77.8 | 16% | 0.158 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.4 | 175.6 | 177.3 | 0 | 0 | 0 | 0 | 110 | H93 V175 L177 S191 | H93-V189 HydrophobicContact CB-CG1 3.77Å; V175-V189 PolarHBondContact N-O 3.19Å; V175-V189 PolarHBondContact O-N 2.97Å; L177-V189 HydrophobicContact CD1-CG2 3.5Å; L177-V189 VanDerWaalsContact CD1-CG2 3.5Å; L177-V189 HydrophobicContact CG-CG2 4.05Å; V189-S191 PolarHBondContact O-N 2.9Å |
| 190 | L | 91.2 | Very high | 73 | Confident | 64 Ų | 64 | 73.7 Ų | 73.7 | 34% | 0.335 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 119.4 | 168.7 | -63.7 | 168.2 | 0 | 0 | 0 | 109.5 | H93 W94 V172 G173 E174 | H93-L190 CarbonylContact C-O 3.57Å; H93-L190 WeakPolarHBondContact CA-O 3.28Å; H93-L190 PolarHBondContact ND1-N 3.24Å; H93-L190 PolarHBondContact ND1-O 3.16Å; W94-L190 PolarHBondContact N-O 2.65Å; V172-L190 HydrophobicContact CG1-CB 3.84Å; V172-L190 HydrophobicContact CG1-CD2 3.93Å; V172-L190 HydrophobicContact CG1-CG 4.39Å; G173-L190 CarbonylContact O-C 3.58Å; G173-L190 WeakPolarHBondContact O-CA 3.35Å; E174-L190 HydrophobicContact CG-CD2 3.78Å |
| 191 | S | 91.9 | Very high | 73.9 | Confident | 8 Ų | 8 | 70.3 Ų | 70.3 | 6% | 0.056 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139 | 177.5 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | Y87 V172 G173 V189 Q193 | Y87-S191 PolarHBondContact OH-OG 3.29Å; V172-S191 WeakPolarHBondContact CA-O 3.36Å; G173-S191 PolarHBondContact N-O 3.46Å; G173-S191 PolarHBondContact O-N 3.37Å; V189-S191 PolarHBondContact O-N 2.9Å; S191-Q193 PolarHBondContact O-N 2.98Å; S191-Q193 VanDerWaalsContact OG-CG 3.22Å; S191-Q193 WeakPolarHBondContact OG-CG 2.98Å; S191-Q193 PolarHBondContact OG-NE2 2.89Å |
| 192 | C | 94.1 | Very high | 74.9 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.014 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 113.2 | 169.4 | 178.6 | 0 | 0 | 0 | 0 | 107.6 | W94 C101 R170 | W94-C192 HydrophobicContact CB-CB 4.19Å; W94-C192 HydrophobicContact CD2-CB 3.81Å; W94-C192 HydrophobicContact CE3-CB 3.9Å; W94-C192 HydrophobicContact CG-CB 3.91Å; C101-C192 HydrophobicContact CB-CB 3.85Å; C101-C192 WeakPolarHBondContact CB-SG 3.44Å; C101-C192 WeakPolarHBondContact SG-CB 3.44Å; C101-C192 CovalentContact SG-SG 2.03Å; C101-C192 PolarHBondContact SG-SG 3.03Å; R170-C192 PolarHBondContact NH1-O 3.47Å |
| 193 | Q | 90.8 | Very high | 76 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 39% | 0.388 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 165.9 | -173.4 | -61.6 | -168.8 | -7.7 | 0 | 0 | 112.1 | R170 S171 S191 | R170-Q193 WeakPolarHBondContact CA-O 3.23Å; R170-Q193 WeakPolarHBondContact CD-O 3.37Å; S171-Q193 PolarHBondContact N-O 2.72Å; S171-Q193 PolarHBondContact O-N 3.36Å; S171-Q193 VanDerWaalsContact O-O 3.12Å; S191-Q193 PolarHBondContact O-N 2.98Å; S191-Q193 VanDerWaalsContact OG-CG 3.22Å; S191-Q193 WeakPolarHBondContact OG-CG 2.98Å; S191-Q193 PolarHBondContact OG-NE2 2.89Å |
| 194 | M | 87.6 | Confident | 77 | Confident | 72 Ų | 72 | 68.7 Ų | 68.7 | 36% | 0.355 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 130.9 | 169.6 | -71.3 | -63.3 | 176.2 | 0 | 0 | 108.5 | L169 R170 Y196 | L169-M194 HydrophobicContact CB-SD 4.24Å; R170-M194 HydrophobicContact CG-CE 3.72Å; R170-M194 HydrophobicContact CG-SD 3.69Å; R170-M194 VanDerWaalsContact NE-CE 3.26Å; M194-Y196 HydrophobicContact CB-CE2 3.85Å |
| 195 | N | 87.9 | Confident | 78.4 | Confident | 62 Ų | 62 | 70.9 Ų | 70.9 | 33% | 0.332 | 42% | 0.417 | S | S | . | . | trans | -124.1 | 115.8 | -180 | -177.7 | -32.6 | 0 | 0 | 0 | 108.5 | L169 S171 S197 | L169-N195 PolarHBondContact O-N 2.89Å; S171-N195 WeakPolarHBondContact OG-CB 3.49Å; S171-N195 PolarHBondContact OG-ND2 2.85Å; N195-S197 WeakPolarHBondContact OD1-CB 3.4Å; N195-S197 PolarHBondContact OD1-N 2.92Å; N195-S197 PolarHBondContact OD1-OG 3.49Å | ||
| 196 | Y | 86.9 | Confident | 79.9 | Confident | 20 Ų | 20 | 71.5 Ų | 71.5 | 8% | 0.078 | 41% | 0.411 | C | S | . | . | trans | -96.6 | 4.9 | -175.1 | -60.6 | -74.1 | 0 | 0 | 0 | 113.3 | L169 M194 M198 L199 V200 E213 W216 A217 L220 | L169-Y196 HydrophobicContact CD1-CD1 4.26Å; L169-Y196 HydrophobicContact CD1-CE1 4.14Å; M194-Y196 HydrophobicContact CB-CE2 3.85Å; Y196-M198 PolarHBondContact O-N 2.98Å; Y196-L199 HydrophobicContact CD1-CD1 3.98Å; Y196-L199 WeakPolarHBondContact O-CA 3.34Å; Y196-L199 WeakPolarHBondContact O-CB 3.12Å; Y196-L199 PolarHBondContact O-N 3.19Å; Y196-V200 PolarHBondContact O-N 3.4Å; Y196-E213 HydrophobicContact CD2-CB 4.1Å; Y196-E213 HydrophobicContact CD2-CG 4.41Å; Y196-W216 HydrophobicContact CD1-CB 3.52Å; Y196-W216 HydrophobicContact CD1-CG 4.3Å; Y196-W216 HydrophobicContact CE1-CB 3.78Å; Y196-W216 HydrophobicContact CG-CB 4.05Å; Y196-A217 HydrophobicContact CE2-CB 4.02Å; Y196-A217 WeakPolarHBondContact OH-CA 3.48Å; Y196-L220 HydrophobicContact CE1-CD1 3.71Å | ||
| 197 | S | 82.6 | Confident | 80.8 | Confident | 69 Ų | 69 | 72.3 Ų | 72.3 | 48% | 0.483 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.5 | -179.5 | 61 | 0 | 0 | 0 | 0 | 114.2 | N195 L199 | N195-S197 WeakPolarHBondContact OD1-CB 3.4Å; N195-S197 PolarHBondContact OD1-N 2.92Å; N195-S197 PolarHBondContact OD1-OG 3.49Å; S197-L199 VanDerWaalsContact C-N 3.32Å |
| 198 | M | 79.6 | Confident | 81.7 | Confident | 152 Ų | 152 | 75.5 Ų | 75.5 | 75% | 0.749 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -27.1 | 174.8 | -169.6 | -174.5 | 174.2 | 0 | 0 | 112.8 | Y196 | Y196-M198 PolarHBondContact O-N 2.98Š|
| 199 | L | 81.2 | Confident | 81.8 | Confident | 67 Ų | 67 | 75 Ų | 75 | 35% | 0.351 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -31.8 | -179 | -70.3 | 138.9 | 0 | 0 | 0 | 112.4 | L169 Y196 S197 W216 | L169-L199 HydrophobicContact CD1-CD1 3.58Å; L169-L199 HydrophobicContact CD2-CD1 3.41Å; L169-L199 VanDerWaalsContact CD2-CD1 3.41Å; L169-L199 HydrophobicContact CD2-CG 4.31Å; L169-L199 HydrophobicContact CG-CD1 4.13Å; Y196-L199 HydrophobicContact CD1-CD1 3.98Å; Y196-L199 WeakPolarHBondContact O-CA 3.34Å; Y196-L199 WeakPolarHBondContact O-CB 3.12Å; Y196-L199 PolarHBondContact O-N 3.19Å; S197-L199 VanDerWaalsContact C-N 3.32Å; L199-W216 HydrophobicContact CB-CD2 4.24Å; L199-W216 HydrophobicContact CB-CG 4.4Å; L199-W216 HydrophobicContact CB-CZ2 4.21Å; L199-W216 HydrophobicContact CD1-CD2 4.27Å; L199-W216 HydrophobicContact CD1-CE3 4.46Å; L199-W216 HydrophobicContact CD1-CG 4.49Å; L199-W216 HydrophobicContact CD2-CD2 4.06Å; L199-W216 HydrophobicContact CD2-CE3 4.06Å; L199-W216 HydrophobicContact CD2-CH2 3.58Å; L199-W216 HydrophobicContact CD2-CZ2 3.56Å; L199-W216 HydrophobicContact CD2-CZ3 3.83Å; L199-W216 HydrophobicContact CG-CD2 4.44Å; L199-W216 HydrophobicContact CG-CZ2 4.46Å |
| 200 | V | 77.8 | Confident | 81.5 | Confident | 9 Ų | 9 | 78.1 Ų | 78.1 | 6% | 0.055 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -97.5 | 99.7 | 178.5 | -174.1 | 0 | 0 | 0 | 0 | 106.7 | Y196 L204 K209 A212 E213 | Y196-V200 PolarHBondContact O-N 3.4Å; V200-L204 HydrophobicContact CG1-CD1 3.56Å; V200-K209 HydrophobicContact CG1-CB 4.24Å; V200-K209 HydrophobicContact CG1-CG 3.93Å; V200-A212 HydrophobicContact CB-CB 4.43Å; V200-A212 HydrophobicContact CG1-CB 3.81Å; V200-A212 HydrophobicContact CG2-CB 3.69Å; V200-E213 HydrophobicContact CG2-CG 4.37Å |
| 201 | G | 68.6 | Low | 81.1 | Confident | 47 Ų | 47 | 83.5 Ų | 83.5 | 49% | 0.485 | 45% | 0.446 | S | S | . | . | trans | -53.1 | 148.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E203 | G201-E203 PolarHBondContact O-N 3.43Š| ||
| 202 | A | 66.4 | Low | 80.8 | Confident | 111 Ų | 111 | 84.3 Ų | 84.3 | 92% | 0.917 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 1.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 203 | E | 73.1 | Confident | 80.4 | Confident | 199 Ų | 199 | 86.9 Ų | 86.9 | 93% | 0.93 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 4.3 | -172.9 | -62.2 | -175.5 | 166.2 | 0 | 0 | 113.8 | G201 | G201-E203 PolarHBondContact O-N 3.43Š|
| 204 | L | 74.3 | Confident | 80.2 | Confident | 77 Ų | 77 | 85.2 Ų | 85.2 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -84.4 | 146.4 | -179 | -74.8 | 154.7 | 0 | 0 | 0 | 112 | V200 E208 | V200-L204 HydrophobicContact CG1-CD1 3.56Å; L204-E208 HydrophobicContact CB-CB 4.48Å; L204-E208 HydrophobicContact CD2-CB 4.06Å |
| 205 | E | 78.6 | Confident | 80.2 | Confident | 144 Ų | 144 | 88.7 Ų | 88.7 | 67% | 0.673 | 47% | 0.47 | S | S | * | . | trans | -62.1 | 148 | 168.6 | -72 | -176.6 | 164.6 | 0 | 0 | 110.5 | A207 E208 K209 | E205-A207 VanDerWaalsContact C-N 3.28Å; E205-A207 PolarHBondContact O-N 2.97Å; E205-E208 HydrophobicContact CB-CG 4.42Å; E205-E208 PolarHBondContact O-N 2.94Å; E205-K209 PolarHBondContact O-N 3.32Å | ||
| 206 | E | 78.2 | Confident | 80.3 | Confident | 122 Ų | 122 | 90.3 Ų | 90.3 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -54.8 | -39.8 | -174.8 | -71.9 | -66.2 | 169.7 | 0 | 0 | 113 | E208 K209 D210 | E206-E208 VanDerWaalsContact C-N 3.33Å; E206-E208 PolarHBondContact O-N 2.71Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å; E206-K209 PolarHBondContact O-N 3.49Å; E206-K209 IonicContact OE1-NZ 3.41Å; E206-K209 PolarHBondContact OE1-NZ 2.92Å; E206-K209 IonicContact OE2-NZ 2.82Å; E206-K209 PolarHBondContact OE2-NZ 2.91Å; E206-D210 PolarHBondContact O-N 3.47Å |
| 207 | A | 76.8 | Confident | 80.4 | Confident | 75 Ų | 75 | 90.6 Ų | 90.6 | 62% | 0.62 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.1 | -30.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | E205 | E205-A207 VanDerWaalsContact C-N 3.28Å; E205-A207 PolarHBondContact O-N 2.97Å |
| 208 | E | 81.8 | Confident | 80.8 | Confident | 103 Ų | 103 | 87.6 Ų | 87.6 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -78.3 | -34.6 | 175.3 | -62.2 | -172.7 | 124.2 | 0 | 0 | 111.2 | L204 E205 E206 A212 | L204-E208 HydrophobicContact CB-CB 4.48Å; L204-E208 HydrophobicContact CD2-CB 4.06Å; E205-E208 HydrophobicContact CB-CG 4.42Å; E205-E208 PolarHBondContact O-N 2.94Å; E206-E208 VanDerWaalsContact C-N 3.33Å; E206-E208 PolarHBondContact O-N 2.71Å; E208-A212 WeakPolarHBondContact O-CB 3.39Å; E208-A212 PolarHBondContact O-N 2.97Å |
| 209 | K | 81.6 | Confident | 81.3 | Confident | 63 Ų | 63 | 84 Ų | 84 | 27% | 0.274 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.4 | -51.6 | 174.7 | 178.2 | 178.4 | 152.9 | -141.4 | 0 | 111.2 | V200 E205 E206 R211 A212 E213 | V200-K209 HydrophobicContact CG1-CB 4.24Å; V200-K209 HydrophobicContact CG1-CG 3.93Å; E205-K209 PolarHBondContact O-N 3.32Å; E206-K209 WeakPolarHBondContact O-CB 3.43Å; E206-K209 PolarHBondContact O-N 3.49Å; E206-K209 IonicContact OE1-NZ 3.41Å; E206-K209 PolarHBondContact OE1-NZ 2.92Å; E206-K209 IonicContact OE2-NZ 2.82Å; E206-K209 PolarHBondContact OE2-NZ 2.91Å; K209-R211 VanDerWaalsContact C-N 3.29Å; K209-R211 PolarHBondContact O-N 3.33Å; K209-A212 CarbonylContact O-C 3.6Å; K209-A212 WeakPolarHBondContact O-CA 3.5Å; K209-A212 WeakPolarHBondContact O-CB 3.2Å; K209-A212 PolarHBondContact O-N 3.02Å; K209-E213 WeakPolarHBondContact O-CG 3.37Å; K209-E213 PolarHBondContact O-N 3.4Å |
| 210 | D | 79.8 | Confident | 81.8 | Confident | 91 Ų | 91 | 82.5 Ų | 82.5 | 49% | 0.487 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -54.9 | -45.8 | 177.7 | -69.6 | -19.6 | 0 | 0 | 0 | 111.7 | E206 A212 E213 V214 | E206-D210 PolarHBondContact O-N 3.47Å; D210-A212 VanDerWaalsContact C-N 3.33Å; D210-A212 PolarHBondContact O-N 3.36Å; D210-E213 PolarHBondContact O-N 2.99Å; D210-V214 WeakPolarHBondContact O-CG2 3.5Å; D210-V214 PolarHBondContact O-N 2.97Å |
| 211 | R | 84.1 | Confident | 82.4 | Confident | 177 Ų | 177 | 83.5 Ų | 83.5 | 67% | 0.668 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 175.3 | 179.2 | 179.9 | -72.3 | 174.8 | -0.5 | 111.4 | K209 V214 W215 | K209-R211 VanDerWaalsContact C-N 3.29Å; K209-R211 PolarHBondContact O-N 3.33Å; R211-V214 PolarHBondContact O-N 2.73Å; R211-W215 PolarHBondContact O-N 3.37Å |
| 212 | A | 85.4 | Confident | 83.4 | Confident | 25 Ų | 25 | 86.6 Ų | 86.6 | 21% | 0.207 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V200 E208 K209 D210 W215 W216 | V200-A212 HydrophobicContact CB-CB 4.43Å; V200-A212 HydrophobicContact CG1-CB 3.81Å; V200-A212 HydrophobicContact CG2-CB 3.69Å; E208-A212 WeakPolarHBondContact O-CB 3.39Å; E208-A212 PolarHBondContact O-N 2.97Å; K209-A212 CarbonylContact O-C 3.6Å; K209-A212 WeakPolarHBondContact O-CA 3.5Å; K209-A212 WeakPolarHBondContact O-CB 3.2Å; K209-A212 PolarHBondContact O-N 3.02Å; D210-A212 VanDerWaalsContact C-N 3.33Å; D210-A212 PolarHBondContact O-N 3.36Å; A212-W215 PolarHBondContact O-N 2.95Å; A212-W216 PolarHBondContact O-N 2.7Å |
| 213 | E | 85.6 | Confident | 84.7 | Confident | 57 Ų | 57 | 83.5 Ų | 83.5 | 27% | 0.266 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.2 | -46.9 | 174.8 | -63.9 | -162.3 | 168.8 | 0 | 0 | 111.5 | Y196 V200 K209 D210 W215 W216 A217 | Y196-E213 HydrophobicContact CD2-CB 4.1Å; Y196-E213 HydrophobicContact CD2-CG 4.41Å; V200-E213 HydrophobicContact CG2-CG 4.37Å; K209-E213 WeakPolarHBondContact O-CG 3.37Å; K209-E213 PolarHBondContact O-N 3.4Å; D210-E213 PolarHBondContact O-N 2.99Å; E213-W215 VanDerWaalsContact C-N 3.32Å; E213-W215 PolarHBondContact O-N 3.49Å; E213-W216 PolarHBondContact O-N 2.93Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 3.22Å |
| 214 | V | 86 | Confident | 85.5 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 29% | 0.291 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | D210 R211 A217 A218 E294 L295 | D210-V214 WeakPolarHBondContact O-CG2 3.5Å; D210-V214 PolarHBondContact O-N 2.97Å; R211-V214 PolarHBondContact O-N 2.73Å; V214-A217 PolarHBondContact O-N 3.2Å; V214-A218 WeakPolarHBondContact O-CB 3.46Å; V214-A218 PolarHBondContact O-N 3.34Å; V214-E294 HydrophobicContact CG1-CB 4.19Å; V214-L295 HydrophobicContact CG1-CD2 4.23Å |
| 215 | W | 88.1 | Confident | 86.3 | Confident | 145 Ų | 145 | 72.2 Ų | 72.2 | 55% | 0.549 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.3 | -86.4 | 112.1 | 0 | 0 | 0 | 112.9 | R211 A212 E213 A218 V219 L295 | R211-W215 PolarHBondContact O-N 3.37Å; A212-W215 PolarHBondContact O-N 2.95Å; E213-W215 VanDerWaalsContact C-N 3.32Å; E213-W215 PolarHBondContact O-N 3.49Å; W215-A218 WeakPolarHBondContact O-CB 3.34Å; W215-A218 PolarHBondContact O-N 3.02Å; W215-V219 VanDerWaalsContact O-CG2 3.31Å; W215-V219 WeakPolarHBondContact O-CG2 3.41Å; W215-V219 PolarHBondContact O-N 3.48Å; W215-L295 HydrophobicContact CD2-CD2 4.4Å; W215-L295 HydrophobicContact CE3-CD2 4.32Å; W215-L295 HydrophobicContact CH2-CD2 4.44Å; W215-L295 HydrophobicContact CZ3-CD2 4.35Å |
| 216 | W | 90.3 | Very high | 86.9 | Confident | 95 Ų | 95 | 69.9 Ų | 69.9 | 36% | 0.36 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 177.7 | -81.9 | 113.8 | 0 | 0 | 0 | 112.4 | Y196 L199 A212 E213 A218 V219 L220 | Y196-W216 HydrophobicContact CD1-CB 3.52Å; Y196-W216 HydrophobicContact CD1-CG 4.3Å; Y196-W216 HydrophobicContact CE1-CB 3.78Å; Y196-W216 HydrophobicContact CG-CB 4.05Å; L199-W216 HydrophobicContact CB-CD2 4.24Å; L199-W216 HydrophobicContact CB-CG 4.4Å; L199-W216 HydrophobicContact CB-CZ2 4.21Å; L199-W216 HydrophobicContact CD1-CD2 4.27Å; L199-W216 HydrophobicContact CD1-CE3 4.46Å; L199-W216 HydrophobicContact CD1-CG 4.49Å; L199-W216 HydrophobicContact CD2-CD2 4.06Å; L199-W216 HydrophobicContact CD2-CE3 4.06Å; L199-W216 HydrophobicContact CD2-CH2 3.58Å; L199-W216 HydrophobicContact CD2-CZ2 3.56Å; L199-W216 HydrophobicContact CD2-CZ3 3.83Å; L199-W216 HydrophobicContact CG-CD2 4.44Å; L199-W216 HydrophobicContact CG-CZ2 4.46Å; A212-W216 PolarHBondContact O-N 2.7Å; E213-W216 PolarHBondContact O-N 2.93Å; W216-A218 VanDerWaalsContact C-N 3.29Å; W216-A218 PolarHBondContact O-N 3.45Å; W216-V219 PolarHBondContact O-N 3.28Å; W216-L220 WeakPolarHBondContact O-CG 3.49Å; W216-L220 PolarHBondContact O-N 3.28Å |
| 217 | A | 88.4 | Confident | 87.6 | Confident | 26 Ų | 26 | 66.1 Ų | 66.1 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y196 E213 V214 S221 | Y196-A217 HydrophobicContact CE2-CB 4.02Å; Y196-A217 WeakPolarHBondContact OH-CA 3.48Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 3.22Å; V214-A217 PolarHBondContact O-N 3.2Å; A217-S221 VanDerWaalsContact O-CB 3.27Å; A217-S221 WeakPolarHBondContact O-CB 3.33Å; A217-S221 PolarHBondContact O-N 3.49Å; A217-S221 PolarHBondContact O-OG 3.48Å |
| 218 | A | 90.3 | Very high | 88.1 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 6% | 0.058 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.6 | -49 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V214 W215 W216 L220 S221 L222 I291 L295 | V214-A218 WeakPolarHBondContact O-CB 3.46Å; V214-A218 PolarHBondContact O-N 3.34Å; W215-A218 WeakPolarHBondContact O-CB 3.34Å; W215-A218 PolarHBondContact O-N 3.02Å; W216-A218 VanDerWaalsContact C-N 3.29Å; W216-A218 PolarHBondContact O-N 3.45Å; A218-L220 PolarHBondContact O-N 2.96Å; A218-S221 PolarHBondContact O-N 3.43Å; A218-L222 VanDerWaalsContact O-CB 3.29Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 PolarHBondContact O-N 3.14Å; A218-I291 HydrophobicContact CB-CG2 3.5Å; A218-L295 HydrophobicContact CB-CD1 3.96Å; A218-L295 HydrophobicContact CB-CD2 4.29Å; A218-L295 HydrophobicContact CB-CG 4.36Å |
| 219 | V | 91.3 | Very high | 88.5 | Confident | 75 Ų | 75 | 58.7 Ų | 58.7 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 179.5 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | W215 W216 S221 K223 | W215-V219 VanDerWaalsContact O-CG2 3.31Å; W215-V219 WeakPolarHBondContact O-CG2 3.41Å; W215-V219 PolarHBondContact O-N 3.48Å; W216-V219 PolarHBondContact O-N 3.28Å; V219-S221 VanDerWaalsContact C-N 3.34Å; V219-S221 PolarHBondContact O-N 3.48Å; V219-K223 WeakPolarHBondContact O-CB 3.32Å; V219-K223 PolarHBondContact O-N 2.72Å |
| 220 | L | 90.7 | Very high | 88.9 | Confident | 37 Ų | 37 | 59.3 Ų | 59.3 | 19% | 0.194 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -38.8 | -178.6 | -70.2 | -178.7 | 0 | 0 | 0 | 112.4 | P165 L169 Y196 W216 A218 S224 | P165-L220 HydrophobicContact CB-CD1 4.21Å; P165-L220 HydrophobicContact CB-CD2 3.95Å; P165-L220 HydrophobicContact CG-CD2 4.03Å; L169-L220 HydrophobicContact CD1-CD1 3.59Å; Y196-L220 HydrophobicContact CE1-CD1 3.71Å; W216-L220 WeakPolarHBondContact O-CG 3.49Å; W216-L220 PolarHBondContact O-N 3.28Å; A218-L220 PolarHBondContact O-N 2.96Å; L220-S224 WeakPolarHBondContact O-CB 3.44Å; L220-S224 PolarHBondContact O-N 3.37Å |
| 221 | S | 90.1 | Very high | 89.4 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 21% | 0.21 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.4 | -42.2 | 179.7 | -60.2 | 0 | 0 | 0 | 0 | 112 | A217 A218 V219 K223 S224 T225 I291 | A217-S221 VanDerWaalsContact O-CB 3.27Å; A217-S221 WeakPolarHBondContact O-CB 3.33Å; A217-S221 PolarHBondContact O-N 3.49Å; A217-S221 PolarHBondContact O-OG 3.48Å; A218-S221 PolarHBondContact O-N 3.43Å; V219-S221 VanDerWaalsContact C-N 3.34Å; V219-S221 PolarHBondContact O-N 3.48Å; S221-K223 VanDerWaalsContact C-N 3.33Å; S221-K223 PolarHBondContact O-N 3.25Å; S221-S224 WeakPolarHBondContact O-CA 3.32Å; S221-S224 WeakPolarHBondContact O-CB 3.23Å; S221-S224 PolarHBondContact O-N 2.86Å; S221-S224 VanDerWaalsContact O-N 3.09Å; S221-T225 PolarHBondContact O-N 3.08Å; S221-T225 PolarHBondContact O-OG1 3.12Å; S221-I291 WeakPolarHBondContact OG-CD1 3.19Å |
| 222 | L | 90.6 | Very high | 89.5 | Confident | 112 Ų | 112 | 50.8 Ų | 50.8 | 59% | 0.586 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.7 | -42.4 | 173.9 | -177.7 | 61 | 0 | 0 | 0 | 110.9 | A218 S224 T225 L226 | A218-L222 VanDerWaalsContact O-CB 3.29Å; A218-L222 WeakPolarHBondContact O-CB 3.39Å; A218-L222 PolarHBondContact O-N 3.14Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 2.87Å; L222-T225 PolarHBondContact O-N 2.95Å; L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.47Å; L222-L226 PolarHBondContact O-N 3.3Å |
| 223 | K | 92.8 | Very high | 89.7 | Confident | 46 Ų | 46 | 52.1 Ų | 52.1 | 20% | 0.2 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 171.8 | 172.7 | -95.9 | 168.4 | 173.4 | 0 | 111.3 | Y113 L162 V219 S221 I227 | Y113-K223 VanDerWaalsContact CZ-NZ 3.26Å; Y113-K223 WeakPolarHBondContact OH-CE 3.34Å; Y113-K223 PolarHBondContact OH-NZ 3.39Å; L162-K223 VanDerWaalsContact CD2-CE 3.42Å; L162-K223 PolarHBondContact O-NZ 2.99Å; V219-K223 WeakPolarHBondContact O-CB 3.32Å; V219-K223 PolarHBondContact O-N 2.72Å; S221-K223 VanDerWaalsContact C-N 3.33Å; S221-K223 PolarHBondContact O-N 3.25Å; K223-I227 HydrophobicContact CG-CD1 3.96Å; K223-I227 WeakPolarHBondContact O-CB 3.35Å; K223-I227 PolarHBondContact O-N 3.41Å |
| 224 | S | 90.6 | Very high | 89.8 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -48.5 | 177.6 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | M112 Y113 L220 S221 L222 G228 | M112-S224 WeakPolarHBondContact CE-OG 3.3Å; Y113-S224 WeakPolarHBondContact OH-CA 3.48Å; L220-S224 WeakPolarHBondContact O-CB 3.44Å; L220-S224 PolarHBondContact O-N 3.37Å; S221-S224 WeakPolarHBondContact O-CA 3.32Å; S221-S224 WeakPolarHBondContact O-CB 3.23Å; S221-S224 PolarHBondContact O-N 2.86Å; S221-S224 VanDerWaalsContact O-N 3.09Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 2.87Å; S224-G228 WeakPolarHBondContact O-CA 3.47Å; S224-G228 PolarHBondContact O-N 3.44Å |
| 225 | T | 91.4 | Very high | 89.9 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | S221 L222 F229 L230 T288 | S221-T225 PolarHBondContact O-N 3.08Å; S221-T225 PolarHBondContact O-OG1 3.12Å; L222-T225 PolarHBondContact O-N 2.95Å; T225-F229 VanDerWaalsContact O-CB 3.29Å; T225-F229 WeakPolarHBondContact O-CB 3.16Å; T225-F229 PolarHBondContact O-N 3.25Å; T225-L230 HydrophobicContact CG2-CD1 4.41Å; T225-L230 HydrophobicContact CG2-CG 4.41Å; T225-L230 PolarHBondContact O-N 3.41Å; T225-T288 PolarHBondContact OG1-OG1 3.39Å |
| 226 | L | 92.1 | Very high | 89.6 | Confident | 94 Ų | 94 | 47.2 Ų | 47.2 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -66.9 | -51.3 | -177.3 | -176.4 | 63.7 | 0 | 0 | 0 | 111.9 | L222 L230 L231 | L222-L226 VanDerWaalsContact O-CB 3.27Å; L222-L226 WeakPolarHBondContact O-CB 3.47Å; L222-L226 PolarHBondContact O-N 3.3Å; L226-L230 HydrophobicContact CD1-CB 4.38Å; L226-L230 HydrophobicContact CD1-CD1 4.19Å; L226-L230 PolarHBondContact O-N 3.37Å; L226-L231 WeakPolarHBondContact O-CB 3.47Å; L226-L231 PolarHBondContact O-N 3.49Å |
| 227 | I | 92.3 | Very high | 89.4 | Confident | 44 Ų | 44 | 47.2 Ų | 47.2 | 23% | 0.226 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -85.2 | -39.1 | -173.6 | -57.9 | -179.1 | 0 | 0 | 0 | 111.5 | Y113 F117 L162 K223 P232 | Y113-I227 HydrophobicContact CE1-CB 4.41Å; Y113-I227 HydrophobicContact CE1-CG2 4.23Å; F117-I227 HydrophobicContact CE1-CG2 4.32Å; F117-I227 HydrophobicContact CZ-CG2 3.97Å; L162-I227 HydrophobicContact CD1-CG2 3.77Å; L162-I227 HydrophobicContact CD2-CD1 3.99Å; K223-I227 HydrophobicContact CG-CD1 3.96Å; K223-I227 WeakPolarHBondContact O-CB 3.35Å; K223-I227 PolarHBondContact O-N 3.41Å; I227-P232 WeakPolarHBondContact O-CD 3.48Å; I227-P232 WeakPolarHBondContact O-CG 3.44Å |
| 228 | G | 87.1 | Confident | 89.3 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -81.3 | -18.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S224 | S224-G228 WeakPolarHBondContact O-CA 3.47Å; S224-G228 PolarHBondContact O-N 3.44Å |
| 229 | F | 89.4 | Confident | 89 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 9% | 0.092 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -131.6 | -60.6 | -174.9 | -171.6 | -91.1 | 0 | 0 | 0 | 113.1 | T225 P232 L233 F277 W280 M281 N284 | T225-F229 VanDerWaalsContact O-CB 3.29Å; T225-F229 WeakPolarHBondContact O-CB 3.16Å; T225-F229 PolarHBondContact O-N 3.25Å; F229-P232 WeakPolarHBondContact O-CD 3.46Å; F229-L233 HydrophobicContact CE1-CD2 4.32Å; F229-L233 WeakPolarHBondContact O-CB 3.08Å; F229-L233 PolarHBondContact O-N 3.45Å; F229-F277 AromaticContact CD2-CD1 3.83Å; F229-F277 HydrophobicContact CD2-CD1 3.83Å; F229-F277 AromaticContact CD2-CE1 3.94Å; F229-F277 HydrophobicContact CD2-CE1 3.94Å; F229-F277 HydrophobicContact CE1-CD1 4.31Å; F229-F277 AromaticContact CE2-CD1 3.38Å; F229-F277 HydrophobicContact CE2-CD1 3.38Å; F229-F277 AromaticContact CE2-CE1 3.97Å; F229-F277 HydrophobicContact CE2-CE1 3.97Å; F229-F277 HydrophobicContact CE2-CG 4.42Å; F229-F277 HydrophobicContact CG-CD1 4.46Å; F229-F277 HydrophobicContact CG-CE1 4.25Å; F229-F277 AromaticContact CZ-CD1 3.65Å; F229-F277 HydrophobicContact CZ-CD1 3.65Å; F229-F277 HydrophobicContact CZ-CE1 4.27Å; F229-F277 WeakPolarHBondContact O-CE1 3.46Å; F229-W280 HydrophobicContact CD2-CB 4.33Å; F229-W280 HydrophobicContact CE2-CB 4.46Å; F229-M281 HydrophobicContact CE2-CB 3.81Å; F229-M281 HydrophobicContact CZ-CB 3.71Å; F229-M281 HydrophobicContact CZ-CG 4.04Å; F229-N284 HydrophobicContact CD2-CB 4.45Å; F229-N284 HydrophobicContact CG-CB 4.43Å |
| 230 | L | 90.8 | Very high | 88.5 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 40% | 0.398 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -68 | -47.5 | -171.4 | -66.4 | 176.8 | 0 | 0 | 0 | 113.7 | T225 L226 L233 V234 | T225-L230 HydrophobicContact CG2-CD1 4.41Å; T225-L230 HydrophobicContact CG2-CG 4.41Å; T225-L230 PolarHBondContact O-N 3.41Å; L226-L230 HydrophobicContact CD1-CB 4.38Å; L226-L230 HydrophobicContact CD1-CD1 4.19Å; L226-L230 PolarHBondContact O-N 3.37Å; L230-L233 WeakPolarHBondContact O-CB 3.47Å; L230-L233 PolarHBondContact O-N 2.93Å; L230-V234 WeakPolarHBondContact O-CG2 3.39Å; L230-V234 PolarHBondContact O-N 2.82Å |
| 231 | L | 89.3 | Confident | 88.1 | Confident | 87 Ų | 87 | 51.7 Ų | 51.7 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -51.1 | 179.5 | 168.8 | 73.2 | 0 | 0 | 0 | 111.7 | L226 L233 V234 I235 | L226-L231 WeakPolarHBondContact O-CB 3.47Å; L226-L231 PolarHBondContact O-N 3.49Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-L233 PolarHBondContact O-N 2.93Å; L231-V234 PolarHBondContact O-N 3.03Å; L231-I235 HydrophobicContact CD1-CD1 4.12Å; L231-I235 HydrophobicContact CD1-CG1 4.44Å; L231-I235 HydrophobicContact CG-CD1 4.07Å; L231-I235 WeakPolarHBondContact O-CG1 3.4Å; L231-I235 PolarHBondContact O-N 3.31Å |
| 232 | P | 86.7 | Confident | 87.7 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.2 | -42.3 | 172.9 | -28.9 | 36.5 | 0 | 0 | 0 | 113.7 | V116 I227 F229 V234 I235 L236 F277 | V116-P232 HydrophobicContact CB-CG 4.27Å; V116-P232 HydrophobicContact CG1-CG 3.87Å; V116-P232 HydrophobicContact CG2-CB 3.34Å; V116-P232 HydrophobicContact CG2-CG 3.37Å; I227-P232 WeakPolarHBondContact O-CD 3.48Å; I227-P232 WeakPolarHBondContact O-CG 3.44Å; F229-P232 WeakPolarHBondContact O-CD 3.46Å; P232-V234 VanDerWaalsContact C-N 3.33Å; P232-V234 PolarHBondContact O-N 3.25Å; P232-I235 PolarHBondContact O-N 3.1Å; P232-L236 WeakPolarHBondContact O-CB 3.42Å; P232-L236 VanDerWaalsContact O-CD1 3.28Å; P232-L236 WeakPolarHBondContact O-CD1 3.45Å; P232-L236 WeakPolarHBondContact O-CG 3.28Å; P232-L236 PolarHBondContact O-N 3.25Å; P232-F277 HydrophobicContact CB-CZ 4.23Å |
| 233 | L | 88.9 | Confident | 86.8 | Confident | 53 Ų | 53 | 47.2 Ų | 47.2 | 28% | 0.277 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 177.5 | -176.7 | 63.1 | 0 | 0 | 0 | 111 | F229 L230 L231 L236 L237 F277 | F229-L233 HydrophobicContact CE1-CD2 4.32Å; F229-L233 WeakPolarHBondContact O-CB 3.08Å; F229-L233 PolarHBondContact O-N 3.45Å; L230-L233 WeakPolarHBondContact O-CB 3.47Å; L230-L233 PolarHBondContact O-N 2.93Å; L231-L233 VanDerWaalsContact C-N 3.33Å; L231-L233 PolarHBondContact O-N 2.93Å; L233-L236 PolarHBondContact O-N 3.47Å; L233-L237 HydrophobicContact CD1-CD1 4.35Å; L233-L237 HydrophobicContact CD1-CG 4.38Å; L233-L237 HydrophobicContact CG-CD1 4.01Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CB 3.14Å; L233-L237 VanDerWaalsContact O-CG 3.26Å; L233-L237 WeakPolarHBondContact O-CG 3.19Å; L233-L237 PolarHBondContact O-N 2.87Å; L233-F277 HydrophobicContact CB-CD1 4.43Å; L233-F277 HydrophobicContact CB-CE1 3.6Å; L233-F277 HydrophobicContact CB-CZ 3.77Å; L233-F277 HydrophobicContact CD1-CD1 3.96Å; L233-F277 HydrophobicContact CD1-CD2 4.32Å; L233-F277 HydrophobicContact CD1-CE1 3.86Å; L233-F277 HydrophobicContact CD1-CE2 4.25Å; L233-F277 HydrophobicContact CD1-CG 4.23Å; L233-F277 HydrophobicContact CD1-CZ 4.01Å; L233-F277 HydrophobicContact CG-CE1 4.22Å |
| 234 | V | 89.6 | Confident | 86 | Confident | 84 Ų | 84 | 47.7 Ų | 47.7 | 51% | 0.509 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 177.9 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | L230 L231 P232 L236 L237 V238 | L230-V234 WeakPolarHBondContact O-CG2 3.39Å; L230-V234 PolarHBondContact O-N 2.82Å; L231-V234 PolarHBondContact O-N 3.03Å; P232-V234 VanDerWaalsContact C-N 3.33Å; P232-V234 PolarHBondContact O-N 3.25Å; V234-L236 PolarHBondContact O-N 2.94Å; V234-L237 PolarHBondContact O-N 3.37Å; V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CB 3.32Å; V234-V238 VanDerWaalsContact O-CG2 3.31Å; V234-V238 WeakPolarHBondContact O-CG2 3.3Å; V234-V238 PolarHBondContact O-N 3.21Å |
| 235 | I | 86.6 | Confident | 85.1 | Confident | 57 Ų | 57 | 49.5 Ų | 49.5 | 29% | 0.292 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.7 | -44.4 | 177.4 | -69.2 | 167.4 | 0 | 0 | 0 | 110.3 | V124 L231 P232 V238 C239 | V124-I235 HydrophobicContact CG2-CG2 4Å; L231-I235 HydrophobicContact CD1-CD1 4.12Å; L231-I235 HydrophobicContact CD1-CG1 4.44Å; L231-I235 HydrophobicContact CG-CD1 4.07Å; L231-I235 WeakPolarHBondContact O-CG1 3.4Å; L231-I235 PolarHBondContact O-N 3.31Å; P232-I235 PolarHBondContact O-N 3.1Å; I235-V238 PolarHBondContact O-N 2.94Å; I235-C239 WeakPolarHBondContact O-CB 3.33Å; I235-C239 PolarHBondContact O-N 3.45Å; I235-C239 PolarHBondContact O-SG 3.38Å |
| 236 | L | 82.2 | Confident | 84 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.2 | -45.6 | -177.6 | -66.2 | 164.6 | 0 | 0 | 0 | 111.7 | S123 P232 L233 V234 V238 C239 Y240 V273 F277 | S123-L236 WeakPolarHBondContact OG-CD2 3.3Å; P232-L236 WeakPolarHBondContact O-CB 3.42Å; P232-L236 VanDerWaalsContact O-CD1 3.28Å; P232-L236 WeakPolarHBondContact O-CD1 3.45Å; P232-L236 WeakPolarHBondContact O-CG 3.28Å; P232-L236 PolarHBondContact O-N 3.25Å; L233-L236 PolarHBondContact O-N 3.47Å; V234-L236 PolarHBondContact O-N 2.94Å; L236-V238 VanDerWaalsContact C-N 3.31Å; L236-V238 PolarHBondContact O-N 3.42Å; L236-C239 PolarHBondContact O-N 3.41Å; L236-Y240 HydrophobicContact CB-CD2 4.2Å; L236-Y240 HydrophobicContact CB-CE2 4.18Å; L236-Y240 HydrophobicContact CD2-CE2 3.81Å; L236-Y240 WeakPolarHBondContact O-CB 3.47Å; L236-Y240 WeakPolarHBondContact O-CD2 3.44Å; L236-Y240 PolarHBondContact O-N 2.88Å; L236-V273 HydrophobicContact CD1-CG1 3.73Å; L236-V273 HydrophobicContact CD1-CG2 4.12Å; L236-V273 HydrophobicContact CD2-CG1 4.47Å; L236-V273 HydrophobicContact CD2-CG2 3.91Å; L236-F277 HydrophobicContact CD1-CE2 3.38Å; L236-F277 HydrophobicContact CD1-CZ 3.86Å |
| 237 | L | 86.6 | Confident | 82.8 | Confident | 96 Ų | 96 | 48.2 Ų | 48.2 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.3 | -47.6 | 174.6 | -72.5 | 172.6 | 0 | 0 | 0 | 110.5 | L233 V234 C239 Y240 C241 | L233-L237 HydrophobicContact CD1-CD1 4.35Å; L233-L237 HydrophobicContact CD1-CG 4.38Å; L233-L237 HydrophobicContact CG-CD1 4.01Å; L233-L237 HydrophobicContact CG-CG 4.44Å; L233-L237 WeakPolarHBondContact O-CB 3.14Å; L233-L237 VanDerWaalsContact O-CG 3.26Å; L233-L237 WeakPolarHBondContact O-CG 3.19Å; L233-L237 PolarHBondContact O-N 2.87Å; V234-L237 PolarHBondContact O-N 3.37Å; L237-C239 PolarHBondContact O-N 3.44Å; L237-Y240 PolarHBondContact O-N 2.64Å; L237-C241 WeakPolarHBondContact O-CB 3.41Å; L237-C241 PolarHBondContact O-N 2.9Å; L237-C241 PolarHBondContact O-SG 3.18Å |
| 238 | V | 86.7 | Confident | 81.7 | Confident | 95 Ų | 95 | 50.4 Ų | 50.4 | 58% | 0.576 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -61.4 | -47.1 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | V234 I235 L236 Y240 S242 | V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CB 3.32Å; V234-V238 VanDerWaalsContact O-CG2 3.31Å; V234-V238 WeakPolarHBondContact O-CG2 3.3Å; V234-V238 PolarHBondContact O-N 3.21Å; I235-V238 PolarHBondContact O-N 2.94Å; L236-V238 VanDerWaalsContact C-N 3.31Å; L236-V238 PolarHBondContact O-N 3.42Å; V238-Y240 PolarHBondContact O-N 3.04Å; V238-S242 VanDerWaalsContact O-CB 3.25Å; V238-S242 WeakPolarHBondContact O-CB 3.45Å; V238-S242 PolarHBondContact O-N 3.35Å; V238-S242 PolarHBondContact O-OG 2.93Å |
| 239 | C | 83.2 | Confident | 80.7 | Confident | 13 Ų | 13 | 60.3 Ų | 60.3 | 9% | 0.088 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | -179.6 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | I235 L236 L237 S242 L243 | I235-C239 WeakPolarHBondContact O-CB 3.33Å; I235-C239 PolarHBondContact O-N 3.45Å; I235-C239 PolarHBondContact O-SG 3.38Å; L236-C239 PolarHBondContact O-N 3.41Å; L237-C239 PolarHBondContact O-N 3.44Å; C239-S242 PolarHBondContact O-OG 3.27Å; C239-S242 VanDerWaalsContact O-OG 3.05Å; C239-L243 VanDerWaalsContact O-CB 3.26Å; C239-L243 WeakPolarHBondContact O-CB 3.45Å; C239-L243 PolarHBondContact O-N 3.41Å |
| 240 | Y | 81.4 | Confident | 79.1 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 18% | 0.184 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -82.2 | -38.7 | -177 | -69.9 | -61.7 | 0 | 0 | 0 | 113 | S123 L236 L237 V238 S242 L243 A244 L266 I269 V270 | S123-Y240 PolarHBondContact OG-OH 3.03Å; L236-Y240 HydrophobicContact CB-CD2 4.2Å; L236-Y240 HydrophobicContact CB-CE2 4.18Å; L236-Y240 HydrophobicContact CD2-CE2 3.81Å; L236-Y240 WeakPolarHBondContact O-CB 3.47Å; L236-Y240 WeakPolarHBondContact O-CD2 3.44Å; L236-Y240 PolarHBondContact O-N 2.88Å; L237-Y240 PolarHBondContact O-N 2.64Å; V238-Y240 PolarHBondContact O-N 3.04Å; Y240-S242 VanDerWaalsContact C-N 3.31Å; Y240-S242 PolarHBondContact O-N 3.01Å; Y240-L243 HydrophobicContact CD1-CD2 4.41Å; Y240-L243 PolarHBondContact O-N 3.29Å; Y240-L243 VanDerWaalsContact O-N 3.13Å; Y240-A244 PolarHBondContact O-N 2.95Å; Y240-L266 HydrophobicContact CD1-CD1 4.15Å; Y240-L266 HydrophobicContact CE1-CD1 3.59Å; Y240-I269 WeakPolarHBondContact OH-CG2 3.36Å; Y240-V270 HydrophobicContact CD1-CG2 3.95Å; Y240-V270 HydrophobicContact CE1-CG2 3.44Å; Y240-V270 VanDerWaalsContact CE1-CG2 3.44Å; Y240-V270 HydrophobicContact CE2-CG2 4.45Å |
| 241 | C | 82.7 | Confident | 77.5 | Confident | 84 Ų | 84 | 63.1 Ų | 63.1 | 57% | 0.568 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 174.2 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | L237 L243 P245 | L237-C241 WeakPolarHBondContact O-CB 3.41Å; L237-C241 PolarHBondContact O-N 2.9Å; L237-C241 PolarHBondContact O-SG 3.18Å; C241-L243 VanDerWaalsContact C-N 3.3Å; C241-L243 PolarHBondContact O-N 2.75Å; C241-P245 WeakPolarHBondContact O-CD 3.22Å |
| 242 | S | 79.8 | Confident | 75.8 | Confident | 43 Ų | 43 | 61.5 Ų | 61.5 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -72.2 | -24.2 | 174.7 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | Y127 V238 C239 Y240 | Y127-S242 WeakPolarHBondContact CE2-OG 3.07Å; V238-S242 VanDerWaalsContact O-CB 3.25Å; V238-S242 WeakPolarHBondContact O-CB 3.45Å; V238-S242 PolarHBondContact O-N 3.35Å; V238-S242 PolarHBondContact O-OG 2.93Å; C239-S242 PolarHBondContact O-OG 3.27Å; C239-S242 VanDerWaalsContact O-OG 3.05Å; Y240-S242 VanDerWaalsContact C-N 3.31Å; Y240-S242 PolarHBondContact O-N 3.01Å |
| 243 | L | 73.6 | Confident | 74.1 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -80.1 | -29.6 | 176.7 | -169.6 | 71.6 | 0 | 0 | 0 | 113.1 | L130 C239 Y240 C241 L246 L247 L266 | L130-L243 HydrophobicContact CB-CD1 3.43Å; L130-L243 VanDerWaalsContact CB-CD1 3.43Å; L130-L243 HydrophobicContact CD1-CD1 3.46Å; L130-L243 VanDerWaalsContact CD1-CD1 3.46Å; L130-L243 HydrophobicContact CD1-CD2 3.54Å; L130-L243 HydrophobicContact CD1-CG 4.08Å; L130-L243 HydrophobicContact CG-CD1 4.04Å; C239-L243 VanDerWaalsContact O-CB 3.26Å; C239-L243 WeakPolarHBondContact O-CB 3.45Å; C239-L243 PolarHBondContact O-N 3.41Å; Y240-L243 HydrophobicContact CD1-CD2 4.41Å; Y240-L243 PolarHBondContact O-N 3.29Å; Y240-L243 VanDerWaalsContact O-N 3.13Å; C241-L243 VanDerWaalsContact C-N 3.3Å; C241-L243 PolarHBondContact O-N 2.75Å; L243-L246 HydrophobicContact CD1-CD2 4.27Å; L243-L246 WeakPolarHBondContact O-CB 3.39Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-L247 HydrophobicContact CD2-CD1 3.9Å; L243-L247 HydrophobicContact CG-CD1 3.75Å; L243-L247 HydrophobicContact CG-CG 4.13Å; L243-L247 WeakPolarHBondContact O-CB 3.1Å; L243-L247 WeakPolarHBondContact O-CG 3.41Å; L243-L247 PolarHBondContact O-N 2.85Å; L243-L266 HydrophobicContact CD2-CD1 3.44Å; L243-L266 VanDerWaalsContact CD2-CD1 3.44Å; L243-L266 HydrophobicContact CD2-CD2 3.72Å; L243-L266 HydrophobicContact CD2-CG 4.24Å |
| 244 | A | 74.1 | Confident | 72.4 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 46% | 0.463 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | Y240 L246 L247 S248 | Y240-A244 PolarHBondContact O-N 2.95Å; A244-L246 VanDerWaalsContact C-N 3.29Å; A244-L246 PolarHBondContact O-N 2.98Å; A244-L247 PolarHBondContact O-N 3.35Å; A244-S248 PolarHBondContact O-N 3.18Å; A244-S248 PolarHBondContact O-OG 3.45Å |
| 245 | P | 72.3 | Confident | 70.7 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 42% | 0.416 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -31.8 | 174.1 | -21.5 | 31.8 | 0 | 0 | 0 | 113.2 | C241 S248 R249 | C241-P245 WeakPolarHBondContact O-CD 3.22Å; P245-S248 WeakPolarHBondContact CA-OG 3.2Å; P245-S248 PolarHBondContact O-OG 2.84Å; P245-R249 WeakPolarHBondContact O-CB 3.07Å; P245-R249 VanDerWaalsContact O-CG 3.3Å; P245-R249 WeakPolarHBondContact O-CG 3.49Å; P245-R249 PolarHBondContact O-N 2.87Å |
| 246 | L | 68.3 | Low | 69.1 | Low | 46 Ų | 46 | 77.7 Ų | 77.7 | 24% | 0.241 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -72.8 | -39.7 | 178 | -170 | 74.3 | 0 | 0 | 0 | 111.1 | L130 T131 L243 A244 S248 H250 | L130-L246 VanDerWaalsContact O-CD2 3.3Å; L130-L246 WeakPolarHBondContact O-CD2 3.28Å; T131-L246 HydrophobicContact CG2-CD2 3.81Å; L243-L246 HydrophobicContact CD1-CD2 4.27Å; L243-L246 WeakPolarHBondContact O-CB 3.39Å; L243-L246 PolarHBondContact O-N 3.48Å; A244-L246 VanDerWaalsContact C-N 3.29Å; A244-L246 PolarHBondContact O-N 2.98Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 3.41Å; L246-H250 HydrophobicContact CD1-CB 4.15Å; L246-H250 HydrophobicContact CG-CB 4.32Å; L246-H250 WeakPolarHBondContact O-CA 3.46Å; L246-H250 WeakPolarHBondContact O-CB 3.26Å; L246-H250 PolarHBondContact O-N 2.98Å |
| 247 | L | 66.9 | Low | 67.7 | Low | 35 Ų | 35 | 82.4 Ų | 82.4 | 18% | 0.183 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 173.2 | -80 | 162 | 0 | 0 | 0 | 111.8 | L243 A244 F251 L266 | L243-L247 HydrophobicContact CD2-CD1 3.9Å; L243-L247 HydrophobicContact CG-CD1 3.75Å; L243-L247 HydrophobicContact CG-CG 4.13Å; L243-L247 WeakPolarHBondContact O-CB 3.1Å; L243-L247 WeakPolarHBondContact O-CG 3.41Å; L243-L247 PolarHBondContact O-N 2.85Å; A244-L247 PolarHBondContact O-N 3.35Å; L247-F251 HydrophobicContact CD2-CD2 3.69Å; L247-F251 HydrophobicContact CD2-CE1 4.46Å; L247-F251 HydrophobicContact CD2-CE2 3.47Å; L247-F251 VanDerWaalsContact CD2-CE2 3.47Å; L247-F251 HydrophobicContact CD2-CG 4.28Å; L247-F251 HydrophobicContact CD2-CZ 3.91Å; L247-F251 HydrophobicContact CG-CD2 4.44Å; L247-F251 HydrophobicContact CG-CE2 4.3Å; L247-F251 WeakPolarHBondContact O-CB 3.46Å; L247-L266 HydrophobicContact CD1-CD2 3.66Å; L247-L266 HydrophobicContact CD2-CD2 4.41Å |
| 248 | S | 68.8 | Low | 66.6 | Low | 90 Ų | 90 | 81.5 Ų | 81.5 | 63% | 0.629 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -74.8 | -41.1 | 179.2 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | A244 P245 L246 | A244-S248 PolarHBondContact O-N 3.18Å; A244-S248 PolarHBondContact O-OG 3.45Å; P245-S248 WeakPolarHBondContact CA-OG 3.2Å; P245-S248 PolarHBondContact O-OG 2.84Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 3.41Å |
| 249 | R | 66.2 | Low | 65.6 | Low | 209 Ų | 209 | 79 Ų | 79 | 79% | 0.789 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -83.6 | -42.7 | -177.2 | -66.5 | 178.9 | 177.6 | -171.5 | -0.3 | 113.9 | P245 | P245-R249 WeakPolarHBondContact O-CB 3.07Å; P245-R249 VanDerWaalsContact O-CG 3.3Å; P245-R249 WeakPolarHBondContact O-CG 3.49Å; P245-R249 PolarHBondContact O-N 2.87Å |
| 250 | H | 56.9 | Low | 64.9 | Low | 125 Ų | 125 | 87.6 Ų | 87.6 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -91 | -32 | -166.8 | -145.4 | 73.8 | 0 | 0 | 0 | 112.9 | L246 G252 H253 R259 | L246-H250 HydrophobicContact CD1-CB 4.15Å; L246-H250 HydrophobicContact CG-CB 4.32Å; L246-H250 WeakPolarHBondContact O-CA 3.46Å; L246-H250 WeakPolarHBondContact O-CB 3.26Å; L246-H250 PolarHBondContact O-N 2.98Å; H250-G252 PolarHBondContact O-N 2.94Å; H250-G252 VanDerWaalsContact O-N 3.1Å; H250-H253 PolarHBondContact O-N 3.5Å; H250-R259 PolarHBondContact O-NH2 3.5Å |
| 251 | F | 57.4 | Low | 64.3 | Low | 30 Ų | 30 | 91.4 Ų | 91.4 | 13% | 0.132 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 7.7 | 179.7 | -75.5 | -107.3 | 0 | 0 | 0 | 114.6 | L130 L247 R259 R263 | L130-F251 HydrophobicContact CD2-CE2 4.4Å; L130-F251 HydrophobicContact CD2-CZ 3.91Å; L247-F251 HydrophobicContact CD2-CD2 3.69Å; L247-F251 HydrophobicContact CD2-CE1 4.46Å; L247-F251 HydrophobicContact CD2-CE2 3.47Å; L247-F251 VanDerWaalsContact CD2-CE2 3.47Å; L247-F251 HydrophobicContact CD2-CG 4.28Å; L247-F251 HydrophobicContact CD2-CZ 3.91Å; L247-F251 HydrophobicContact CG-CD2 4.44Å; L247-F251 HydrophobicContact CG-CE2 4.3Å; L247-F251 WeakPolarHBondContact O-CB 3.46Å; F251-R259 HydrophobicContact CD1-CB 3.76Å; F251-R259 HydrophobicContact CD1-CG 3.55Å; F251-R259 HydrophobicContact CE1-CB 3.59Å; F251-R259 HydrophobicContact CE1-CG 3.47Å; F251-R259 VanDerWaalsContact CE1-CG 3.47Å; F251-R259 PolarHBondContact O-NH1 3.05Å; F251-R263 VanDerWaalsContact CB-NH2 3.27Å; F251-R263 HydrophobicContact CE1-CG 4.34Å |
| 252 | G | 53.2 | Low | 63.8 | Low | 54 Ų | 54 | 89.1 Ų | 89.1 | 56% | 0.557 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -33 | 169 | 0 | 0 | 0 | 0 | 0 | 114.7 | H250 | H250-G252 PolarHBondContact O-N 2.94Å; H250-G252 VanDerWaalsContact O-N 3.1Å |
| 253 | H | 51.6 | Low | 63.5 | Low | 185 Ų | 185 | 93 Ų | 93 | 86% | 0.856 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -135.8 | 41 | -157.6 | -68.7 | 89.7 | 0 | 0 | 0 | 117.4 | H250 | H250-H253 PolarHBondContact O-N 3.5Š|
| 254 | G | 52.9 | Low | 63.7 | Low | 28 Ų | 28 | 97.4 Ų | 97.4 | 29% | 0.289 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -155.9 | 176 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R256 R259 | G254-R256 PolarHBondContact O-N 2.69Å; G254-R259 VanDerWaalsContact CA-CZ 3.43Å; G254-R259 PolarHBondContact O-NH1 2.92Å |
| 255 | P | 53.9 | Low | 63.8 | Low | 110 Ų | 110 | 96.1 Ų | 96.1 | 71% | 0.714 | 47% | 0.467 | S | S | * | . | trans | -57.9 | 132 | -164.6 | -24 | 32.6 | 0 | 0 | 0 | 114.2 | R259 | P255-R259 WeakPolarHBondContact O-CD 3.33Å; P255-R259 WeakPolarHBondContact O-CG 3.48Å | ||
| 256 | R | 52.9 | Low | 64.1 | Low | 211 Ų | 211 | 94 Ų | 94 | 80% | 0.796 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70.6 | -34.7 | -166.8 | -66 | 178.8 | 176.1 | 171.1 | -1.2 | 117.7 | G254 | G254-R256 PolarHBondContact O-N 2.69Å |
| 257 | P | 51.9 | Low | 64.8 | Low | 106 Ų | 106 | 99.8 Ų | 99.8 | 69% | 0.688 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -75.9 | -41.5 | -169.4 | 24.1 | -29.4 | 0 | 0 | 0 | 114.4 | R259 R260 | P257-R259 VanDerWaalsContact C-N 3.29Å; P257-R259 PolarHBondContact O-N 2.8Å; P257-R260 PolarHBondContact O-N 3.3Å |
| 258 | D | 63 | Low | 65.6 | Low | 77 Ų | 77 | 98.5 Ų | 98.5 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.5 | -30.3 | -178 | -148.7 | 12.9 | 0 | 0 | 0 | 111.9 | R260 R261 Q262 | D258-R260 PolarHBondContact O-N 3.12Å; D258-R261 PolarHBondContact O-N 2.92Å; D258-Q262 WeakPolarHBondContact O-CB 3.3Å; D258-Q262 VanDerWaalsContact O-CG 3.32Å; D258-Q262 WeakPolarHBondContact O-CG 3.22Å; D258-Q262 PolarHBondContact O-N 3.23Å |
| 259 | R | 65.9 | Low | 66.3 | Low | 41 Ų | 41 | 94.4 Ų | 94.4 | 16% | 0.155 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 175.3 | -69.2 | -179.7 | 169 | -167.5 | -6 | 113.6 | H250 F251 G254 P255 P257 Q262 R263 | H250-R259 PolarHBondContact O-NH2 3.5Å; F251-R259 HydrophobicContact CD1-CB 3.76Å; F251-R259 HydrophobicContact CD1-CG 3.55Å; F251-R259 HydrophobicContact CE1-CB 3.59Å; F251-R259 HydrophobicContact CE1-CG 3.47Å; F251-R259 VanDerWaalsContact CE1-CG 3.47Å; F251-R259 PolarHBondContact O-NH1 3.05Å; G254-R259 VanDerWaalsContact CA-CZ 3.43Å; G254-R259 PolarHBondContact O-NH1 2.92Å; P255-R259 WeakPolarHBondContact O-CD 3.33Å; P255-R259 WeakPolarHBondContact O-CG 3.48Å; P257-R259 VanDerWaalsContact C-N 3.29Å; P257-R259 PolarHBondContact O-N 2.8Å; R259-Q262 PolarHBondContact O-N 3.05Å; R259-R263 WeakPolarHBondContact O-CB 3.46Å; R259-R263 WeakPolarHBondContact O-CG 3.48Å; R259-R263 PolarHBondContact O-N 2.99Å |
| 260 | R | 68.7 | Low | 67.2 | Low | 194 Ų | 194 | 87 Ų | 87 | 73% | 0.732 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.7 | -42.1 | 179.6 | -73.3 | -175.8 | 178.1 | -163 | -0.6 | 111 | P257 D258 R264 | P257-R260 PolarHBondContact O-N 3.3Å; D258-R260 PolarHBondContact O-N 3.12Å; R260-R264 WeakPolarHBondContact O-CB 3.42Å; R260-R264 PolarHBondContact O-N 3.34Å |
| 261 | R | 69.5 | Low | 68.7 | Low | 127 Ų | 127 | 83 Ų | 83 | 48% | 0.479 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 174.9 | -176.4 | -178.3 | 177.7 | -147.1 | 4.7 | 111.2 | D258 R264 L265 | D258-R261 PolarHBondContact O-N 2.92Å; R261-R264 WeakPolarHBondContact O-CB 3.42Å; R261-R264 PolarHBondContact O-N 3.29Å; R261-L265 HydrophobicContact CG-CD1 4.17Å; R261-L265 WeakPolarHBondContact O-CG 3.19Å; R261-L265 PolarHBondContact O-N 2.89Å |
| 262 | Q | 71.4 | Confident | 70.2 | Confident | 36 Ų | 36 | 81.6 Ų | 81.6 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 177.9 | -76.6 | -179.7 | -10.9 | 0 | 0 | 113.1 | L130 D258 R259 R264 L265 L266 | L130-Q262 HydrophobicContact CD2-CB 3.98Å; L130-Q262 HydrophobicContact CD2-CG 4.17Å; L130-Q262 VanDerWaalsContact CD2-OE1 3.29Å; D258-Q262 WeakPolarHBondContact O-CB 3.3Å; D258-Q262 VanDerWaalsContact O-CG 3.32Å; D258-Q262 WeakPolarHBondContact O-CG 3.22Å; D258-Q262 PolarHBondContact O-N 3.23Å; R259-Q262 PolarHBondContact O-N 3.05Å; Q262-R264 VanDerWaalsContact C-N 3.31Å; Q262-R264 PolarHBondContact O-N 2.84Å; Q262-L265 PolarHBondContact O-N 2.9Å; Q262-L266 WeakPolarHBondContact O-CB 3.42Å; Q262-L266 PolarHBondContact O-N 2.65Å |
| 263 | R | 75.1 | Confident | 71.9 | Confident | 126 Ų | 126 | 79.5 Ų | 79.5 | 48% | 0.475 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -36.8 | 175.3 | -76.2 | -176.2 | -179.8 | -145.9 | 0 | 112.7 | F251 R259 R267 | F251-R263 VanDerWaalsContact CB-NH2 3.27Å; F251-R263 HydrophobicContact CE1-CG 4.34Å; R259-R263 WeakPolarHBondContact O-CB 3.46Å; R259-R263 WeakPolarHBondContact O-CG 3.48Å; R259-R263 PolarHBondContact O-N 2.99Å; R263-R267 WeakPolarHBondContact O-CB 3.36Å; R263-R267 PolarHBondContact O-N 3.46Å |
| 264 | R | 76.5 | Confident | 73.8 | Confident | 96 Ų | 96 | 75.6 Ų | 75.6 | 36% | 0.362 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.9 | -50.9 | 174.9 | -177.6 | -172.5 | -68.4 | -175.1 | 0.7 | 111 | R260 R261 Q262 L266 R267 V268 | R260-R264 WeakPolarHBondContact O-CB 3.42Å; R260-R264 PolarHBondContact O-N 3.34Å; R261-R264 WeakPolarHBondContact O-CB 3.42Å; R261-R264 PolarHBondContact O-N 3.29Å; Q262-R264 VanDerWaalsContact C-N 3.31Å; Q262-R264 PolarHBondContact O-N 2.84Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 3.44Å; R264-R267 WeakPolarHBondContact O-CB 3.49Å; R264-R267 PolarHBondContact O-N 3.18Å; R264-V268 WeakPolarHBondContact O-CG2 3.36Å; R264-V268 PolarHBondContact O-N 2.96Å |
| 265 | L | 75.9 | Confident | 75.6 | Confident | 29 Ų | 29 | 75 Ų | 75 | 15% | 0.152 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 177.9 | -69.1 | 169.3 | 0 | 0 | 0 | 111.4 | R261 Q262 V268 I269 | R261-L265 HydrophobicContact CG-CD1 4.17Å; R261-L265 WeakPolarHBondContact O-CG 3.19Å; R261-L265 PolarHBondContact O-N 2.89Å; Q262-L265 PolarHBondContact O-N 2.9Å; L265-V268 PolarHBondContact O-N 3.15Å; L265-I269 WeakPolarHBondContact O-CD1 2.96Å; L265-I269 WeakPolarHBondContact O-CG1 3.43Å; L265-I269 PolarHBondContact O-N 3.01Å; L265-I269 VanDerWaalsContact O-N 3.08Å |
| 266 | L | 79 | Confident | 77.5 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.8 | -47.7 | 174.8 | -177.2 | 69.3 | 0 | 0 | 0 | 111.7 | L130 Y240 L243 L247 Q262 R264 V268 I269 V270 | L130-L266 HydrophobicContact CD1-CD1 4.33Å; Y240-L266 HydrophobicContact CD1-CD1 4.15Å; Y240-L266 HydrophobicContact CE1-CD1 3.59Å; L243-L266 HydrophobicContact CD2-CD1 3.44Å; L243-L266 VanDerWaalsContact CD2-CD1 3.44Å; L243-L266 HydrophobicContact CD2-CD2 3.72Å; L243-L266 HydrophobicContact CD2-CG 4.24Å; L247-L266 HydrophobicContact CD1-CD2 3.66Å; L247-L266 HydrophobicContact CD2-CD2 4.41Å; Q262-L266 WeakPolarHBondContact O-CB 3.42Å; Q262-L266 PolarHBondContact O-N 2.65Å; R264-L266 VanDerWaalsContact C-N 3.3Å; R264-L266 PolarHBondContact O-N 3.44Å; L266-V268 VanDerWaalsContact C-N 3.34Å; L266-V268 PolarHBondContact O-N 3.25Å; L266-I269 PolarHBondContact O-N 3.31Å; L266-V270 HydrophobicContact CD1-CG2 4.43Å; L266-V270 HydrophobicContact CG-CG2 4.42Å; L266-V270 WeakPolarHBondContact O-CG2 3.43Å; L266-V270 PolarHBondContact O-N 3.46Å |
| 267 | R | 83.3 | Confident | 79.3 | Confident | 167 Ų | 167 | 60.7 Ų | 60.7 | 63% | 0.63 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -57.3 | -47.6 | 178 | -176.1 | -173.8 | -62.2 | 165.6 | -3.4 | 111.4 | R263 R264 I269 V270 T271 | R263-R267 WeakPolarHBondContact O-CB 3.36Å; R263-R267 PolarHBondContact O-N 3.46Å; R264-R267 WeakPolarHBondContact O-CB 3.49Å; R264-R267 PolarHBondContact O-N 3.18Å; R267-I269 VanDerWaalsContact C-N 3.32Å; R267-I269 PolarHBondContact O-N 3.44Å; R267-V270 PolarHBondContact O-N 3.23Å; R267-T271 WeakPolarHBondContact O-CB 3.48Å; R267-T271 PolarHBondContact O-N 3.5Å; R267-T271 PolarHBondContact O-OG1 2.89Å |
| 268 | V | 83.9 | Confident | 81.3 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.1 | -46.8 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | R264 L265 L266 T271 L272 Y330 C333 D334 | R264-V268 WeakPolarHBondContact O-CG2 3.36Å; R264-V268 PolarHBondContact O-N 2.96Å; L265-V268 PolarHBondContact O-N 3.15Å; L266-V268 VanDerWaalsContact C-N 3.34Å; L266-V268 PolarHBondContact O-N 3.25Å; V268-T271 PolarHBondContact O-N 2.89Å; V268-L272 HydrophobicContact CG1-CD1 4.04Å; V268-L272 HydrophobicContact CG1-CG 4.45Å; V268-L272 VanDerWaalsContact O-CG 3.3Å; V268-L272 WeakPolarHBondContact O-CG 3.22Å; V268-L272 PolarHBondContact O-N 2.83Å; V268-Y330 HydrophobicContact CG1-CD1 3.93Å; V268-Y330 HydrophobicContact CG1-CE1 3.94Å; V268-C333 HydrophobicContact CG2-CB 4.18Å; V268-C333 WeakPolarHBondContact CG2-O 3.39Å; V268-D334 HydrophobicContact CG2-CB 3.82Å |
| 269 | I | 83.4 | Confident | 82.9 | Confident | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -42.1 | -177.6 | -61.6 | 163.3 | 0 | 0 | 0 | 111.1 | L122 R126 Y240 L265 L266 R267 T271 L272 V273 | L122-I269 HydrophobicContact CD1-CD1 3.91Å; L122-I269 HydrophobicContact CD1-CG1 4.47Å; L122-I269 HydrophobicContact CD2-CD1 4Å; L122-I269 HydrophobicContact CD2-CG1 3.66Å; L122-I269 HydrophobicContact CD2-CG2 4.18Å; L122-I269 HydrophobicContact CG-CD1 3.59Å; L122-I269 HydrophobicContact CG-CG1 3.81Å; L122-I269 HydrophobicContact CG-CG2 4.14Å; R126-I269 HydrophobicContact CG-CD1 3.25Å; Y240-I269 WeakPolarHBondContact OH-CG2 3.36Å; L265-I269 WeakPolarHBondContact O-CD1 2.96Å; L265-I269 WeakPolarHBondContact O-CG1 3.43Å; L265-I269 PolarHBondContact O-N 3.01Å; L265-I269 VanDerWaalsContact O-N 3.08Å; L266-I269 PolarHBondContact O-N 3.31Å; R267-I269 VanDerWaalsContact C-N 3.32Å; R267-I269 PolarHBondContact O-N 3.44Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.91Å; I269-L272 PolarHBondContact O-N 3.38Å; I269-V273 HydrophobicContact CG2-CG2 4.33Å; I269-V273 WeakPolarHBondContact O-CB 3.02Å; I269-V273 VanDerWaalsContact O-CG2 3.25Å; I269-V273 WeakPolarHBondContact O-CG2 3.23Å; I269-V273 PolarHBondContact O-N 2.88Å |
| 270 | V | 85.1 | Confident | 84.3 | Confident | 53 Ų | 53 | 56 Ų | 56 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 173.9 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | Y240 L266 R267 V273 M274 | Y240-V270 HydrophobicContact CD1-CG2 3.95Å; Y240-V270 HydrophobicContact CE1-CG2 3.44Å; Y240-V270 VanDerWaalsContact CE1-CG2 3.44Å; Y240-V270 HydrophobicContact CE2-CG2 4.45Å; L266-V270 HydrophobicContact CD1-CG2 4.43Å; L266-V270 HydrophobicContact CG-CG2 4.42Å; L266-V270 WeakPolarHBondContact O-CG2 3.43Å; L266-V270 PolarHBondContact O-N 3.46Å; R267-V270 PolarHBondContact O-N 3.23Å; V270-V273 PolarHBondContact O-N 3.41Å; V270-M274 HydrophobicContact CG1-CG 4.33Å; V270-M274 WeakPolarHBondContact O-CB 3.33Å; V270-M274 VanDerWaalsContact O-CG 3.28Å; V270-M274 WeakPolarHBondContact O-CG 3.45Å; V270-M274 PolarHBondContact O-N 2.87Å |
| 271 | T | 88.3 | Confident | 85.5 | Confident | 41 Ų | 41 | 51.5 Ų | 51.5 | 25% | 0.252 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 176.6 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | R267 V268 I269 M274 A275 L329 | R267-T271 WeakPolarHBondContact O-CB 3.48Å; R267-T271 PolarHBondContact O-N 3.5Å; R267-T271 PolarHBondContact O-OG1 2.89Å; V268-T271 PolarHBondContact O-N 2.89Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 2.91Å; T271-M274 PolarHBondContact O-N 3.31Å; T271-A275 WeakPolarHBondContact O-CB 3.39Å; T271-A275 PolarHBondContact O-N 2.97Å; T271-L329 HydrophobicContact CG2-CD1 4.33Å; T271-L329 HydrophobicContact CG2-CD2 3.79Å; T271-L329 HydrophobicContact CG2-CG 4.42Å |
| 272 | L | 89.1 | Confident | 86.8 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -42 | 176.9 | -66.2 | 169.4 | 0 | 0 | 0 | 112.1 | L119 V268 I269 A275 F276 N326 L329 Y330 | L119-L272 HydrophobicContact CD2-CB 3.9Å; L119-L272 HydrophobicContact CD2-CD1 4.44Å; V268-L272 HydrophobicContact CG1-CD1 4.04Å; V268-L272 HydrophobicContact CG1-CG 4.45Å; V268-L272 VanDerWaalsContact O-CG 3.3Å; V268-L272 WeakPolarHBondContact O-CG 3.22Å; V268-L272 PolarHBondContact O-N 2.83Å; I269-L272 PolarHBondContact O-N 3.38Å; L272-A275 PolarHBondContact O-N 2.79Å; L272-F276 PolarHBondContact O-N 3.41Å; L272-N326 HydrophobicContact CD2-CB 4.47Å; L272-L329 HydrophobicContact CD2-CB 3.94Å; L272-L329 HydrophobicContact CD2-CD1 3.93Å; L272-Y330 HydrophobicContact CD1-CE1 3.54Å; L272-Y330 WeakPolarHBondContact CD1-OH 3.31Å; L272-Y330 HydrophobicContact CD2-CE1 4.28Å; L272-Y330 HydrophobicContact CG-CE1 4.42Å |
| 273 | V | 89.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.7 | -49.6 | 175.8 | 161.6 | 0 | 0 | 0 | 0 | 110.6 | L236 I269 V270 A275 F276 F277 | L236-V273 HydrophobicContact CD1-CG1 3.73Å; L236-V273 HydrophobicContact CD1-CG2 4.12Å; L236-V273 HydrophobicContact CD2-CG1 4.47Å; L236-V273 HydrophobicContact CD2-CG2 3.91Å; I269-V273 HydrophobicContact CG2-CG2 4.33Å; I269-V273 WeakPolarHBondContact O-CB 3.02Å; I269-V273 VanDerWaalsContact O-CG2 3.25Å; I269-V273 WeakPolarHBondContact O-CG2 3.23Å; I269-V273 PolarHBondContact O-N 2.88Å; V270-V273 PolarHBondContact O-N 3.41Å; V273-A275 VanDerWaalsContact C-N 3.32Å; V273-A275 PolarHBondContact O-N 3.43Å; V273-F276 WeakPolarHBondContact O-CB 3.31Å; V273-F276 PolarHBondContact O-N 3.22Å; V273-F277 HydrophobicContact CG1-CD2 3.92Å; V273-F277 HydrophobicContact CG1-CE2 3.97Å; V273-F277 VanDerWaalsContact O-CD2 3.22Å; V273-F277 WeakPolarHBondContact O-CD2 3.28Å; V273-F277 PolarHBondContact O-N 3.12Å |
| 274 | M | 89.9 | Confident | 88.7 | Confident | 103 Ų | 103 | 40.7 Ų | 40.7 | 51% | 0.507 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61 | -42.7 | 178.2 | -71.5 | -59.1 | -60.4 | 0 | 0 | 111.5 | V270 T271 F276 F277 L278 | V270-M274 HydrophobicContact CG1-CG 4.33Å; V270-M274 WeakPolarHBondContact O-CB 3.33Å; V270-M274 VanDerWaalsContact O-CG 3.28Å; V270-M274 WeakPolarHBondContact O-CG 3.45Å; V270-M274 PolarHBondContact O-N 2.87Å; T271-M274 PolarHBondContact O-N 3.31Å; M274-F276 VanDerWaalsContact C-N 3.34Å; M274-F276 PolarHBondContact O-N 2.86Å; M274-F277 PolarHBondContact O-N 2.8Å; M274-L278 WeakPolarHBondContact O-CB 3.34Å; M274-L278 WeakPolarHBondContact O-CG 3.38Å; M274-L278 PolarHBondContact O-N 2.84Å |
| 275 | A | 92.8 | Very high | 89.6 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 12% | 0.116 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60 | -44.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T271 L272 V273 L278 C279 L329 | T271-A275 WeakPolarHBondContact O-CB 3.39Å; T271-A275 PolarHBondContact O-N 2.97Å; L272-A275 PolarHBondContact O-N 2.79Å; V273-A275 VanDerWaalsContact C-N 3.32Å; V273-A275 PolarHBondContact O-N 3.43Å; A275-L278 PolarHBondContact O-N 3.18Å; A275-C279 WeakPolarHBondContact O-CB 3.29Å; A275-C279 PolarHBondContact O-N 3.04Å; A275-C279 PolarHBondContact O-SG 3.21Å; A275-L329 HydrophobicContact CB-CD1 3.47Å; A275-L329 VanDerWaalsContact CB-CD1 3.47Å |
| 276 | F | 92.2 | Very high | 90.5 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.4 | -54.6 | 175.2 | -178.9 | -86 | 0 | 0 | 0 | 111.6 | V116 L119 L272 V273 M274 L278 C279 W280 N322 | V116-F276 HydrophobicContact CB-CE1 4.02Å; V116-F276 HydrophobicContact CB-CE2 3.96Å; V116-F276 HydrophobicContact CB-CZ 3.49Å; V116-F276 VanDerWaalsContact CB-CZ 3.49Å; V116-F276 HydrophobicContact CG2-CD1 4.17Å; V116-F276 HydrophobicContact CG2-CE1 3.43Å; V116-F276 VanDerWaalsContact CG2-CE1 3.43Å; V116-F276 HydrophobicContact CG2-CE2 4.22Å; V116-F276 HydrophobicContact CG2-CZ 3.47Å; V116-F276 VanDerWaalsContact CG2-CZ 3.47Å; L119-F276 HydrophobicContact CD1-CB 3.78Å; L119-F276 HydrophobicContact CD1-CD2 3.93Å; L119-F276 HydrophobicContact CD1-CG 3.92Å; L272-F276 PolarHBondContact O-N 3.41Å; V273-F276 WeakPolarHBondContact O-CB 3.31Å; V273-F276 PolarHBondContact O-N 3.22Å; M274-F276 VanDerWaalsContact C-N 3.34Å; M274-F276 PolarHBondContact O-N 2.86Å; F276-L278 PolarHBondContact O-N 3.33Å; F276-C279 PolarHBondContact O-N 3.27Å; F276-W280 AromaticContact CD2-CD1 3.57Å; F276-W280 AromaticContact CD2-NE1 3.7Å; F276-W280 HydrophobicContact CE1-CB 4.4Å; F276-W280 HydrophobicContact CE1-CG 4.24Å; F276-W280 AromaticContact CE2-CD1 3.45Å; F276-W280 VanDerWaalsContact CE2-CD1 3.45Å; F276-W280 HydrophobicContact CE2-CG 4.19Å; F276-W280 AromaticContact CE2-NE1 3.37Å; F276-W280 AromaticContact CG-CD1 3.91Å; F276-W280 AromaticContact CZ-CD1 3.67Å; F276-W280 HydrophobicContact CZ-CD2 4.4Å; F276-W280 AromaticContact CZ-CG 3.98Å; F276-W280 HydrophobicContact CZ-CG 3.98Å; F276-W280 AromaticContact CZ-NE1 3.92Å; F276-W280 WeakPolarHBondContact O-CB 3.19Å; F276-W280 PolarHBondContact O-N 3.17Å; F276-N322 VanDerWaalsContact CA-OD1 3.3Å; F276-N322 WeakPolarHBondContact CA-OD1 3.29Å |
| 277 | F | 92 | Very high | 91.2 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 8% | 0.083 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.7 | -40 | -178 | -75.9 | -75.4 | 0 | 0 | 0 | 112.7 | F229 P232 L233 L236 V273 M274 C279 W280 M281 | F229-F277 AromaticContact CD2-CD1 3.83Å; F229-F277 HydrophobicContact CD2-CD1 3.83Å; F229-F277 AromaticContact CD2-CE1 3.94Å; F229-F277 HydrophobicContact CD2-CE1 3.94Å; F229-F277 HydrophobicContact CE1-CD1 4.31Å; F229-F277 AromaticContact CE2-CD1 3.38Å; F229-F277 HydrophobicContact CE2-CD1 3.38Å; F229-F277 AromaticContact CE2-CE1 3.97Å; F229-F277 HydrophobicContact CE2-CE1 3.97Å; F229-F277 HydrophobicContact CE2-CG 4.42Å; F229-F277 HydrophobicContact CG-CD1 4.46Å; F229-F277 HydrophobicContact CG-CE1 4.25Å; F229-F277 AromaticContact CZ-CD1 3.65Å; F229-F277 HydrophobicContact CZ-CD1 3.65Å; F229-F277 HydrophobicContact CZ-CE1 4.27Å; F229-F277 WeakPolarHBondContact O-CE1 3.46Å; P232-F277 HydrophobicContact CB-CZ 4.23Å; L233-F277 HydrophobicContact CB-CD1 4.43Å; L233-F277 HydrophobicContact CB-CE1 3.6Å; L233-F277 HydrophobicContact CB-CZ 3.77Å; L233-F277 HydrophobicContact CD1-CD1 3.96Å; L233-F277 HydrophobicContact CD1-CD2 4.32Å; L233-F277 HydrophobicContact CD1-CE1 3.86Å; L233-F277 HydrophobicContact CD1-CE2 4.25Å; L233-F277 HydrophobicContact CD1-CG 4.23Å; L233-F277 HydrophobicContact CD1-CZ 4.01Å; L233-F277 HydrophobicContact CG-CE1 4.22Å; L236-F277 HydrophobicContact CD1-CE2 3.38Å; L236-F277 HydrophobicContact CD1-CZ 3.86Å; V273-F277 HydrophobicContact CG1-CD2 3.92Å; V273-F277 HydrophobicContact CG1-CE2 3.97Å; V273-F277 VanDerWaalsContact O-CD2 3.22Å; V273-F277 WeakPolarHBondContact O-CD2 3.28Å; V273-F277 PolarHBondContact O-N 3.12Å; M274-F277 PolarHBondContact O-N 2.8Å; F277-C279 VanDerWaalsContact C-N 3.29Å; F277-C279 PolarHBondContact O-N 3.41Å; F277-W280 PolarHBondContact O-N 3.49Å; F277-M281 WeakPolarHBondContact O-CA 3.32Å; F277-M281 WeakPolarHBondContact O-CB 2.99Å; F277-M281 PolarHBondContact O-N 3.48Å |
| 278 | L | 94.1 | Very high | 91.6 | Very high | 112 Ų | 112 | 35.3 Ų | 35.3 | 59% | 0.586 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -63.2 | -36.6 | 176.9 | -71.1 | 171.4 | 0 | 0 | 0 | 112.1 | M274 A275 F276 P282 | M274-L278 WeakPolarHBondContact O-CB 3.34Å; M274-L278 WeakPolarHBondContact O-CG 3.38Å; M274-L278 PolarHBondContact O-N 2.84Å; A275-L278 PolarHBondContact O-N 3.18Å; F276-L278 PolarHBondContact O-N 3.33Å; L278-P282 VanDerWaalsContact O-CD 3.31Å; L278-P282 WeakPolarHBondContact O-CD 3.33Å |
| 279 | C | 95.8 | Very high | 92.1 | Very high | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.034 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -75.3 | -41.7 | 178.9 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | A275 F276 F277 L318 A319 N322 L325 | A275-C279 WeakPolarHBondContact O-CB 3.29Å; A275-C279 PolarHBondContact O-N 3.04Å; A275-C279 PolarHBondContact O-SG 3.21Å; F276-C279 PolarHBondContact O-N 3.27Å; F277-C279 VanDerWaalsContact C-N 3.29Å; F277-C279 PolarHBondContact O-N 3.41Å; C279-L318 WeakPolarHBondContact CB-O 3.44Å; C279-A319 WeakPolarHBondContact O-CA 3.42Å; C279-A319 PolarHBondContact O-N 3.45Å; C279-N322 HydrophobicContact CB-CB 3.83Å; C279-L325 VanDerWaalsContact SG-CD1 3.55Å |
| 280 | W | 94.7 | Very high | 92.6 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 4% | 0.038 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -87.9 | -24.3 | -173.7 | -76.5 | 92 | 0 | 0 | 0 | 114 | M112 F229 F276 F277 L283 N284 A319 N322 | M112-W280 HydrophobicContact CB-CH2 3.49Å; M112-W280 VanDerWaalsContact CB-CH2 3.49Å; M112-W280 HydrophobicContact CB-CZ2 3.91Å; M112-W280 HydrophobicContact CB-CZ3 4.01Å; M112-W280 HydrophobicContact CG-CD2 4.31Å; M112-W280 HydrophobicContact CG-CE3 3.91Å; M112-W280 HydrophobicContact CG-CH2 3.43Å; M112-W280 VanDerWaalsContact CG-CH2 3.43Å; M112-W280 HydrophobicContact CG-CZ2 3.84Å; M112-W280 HydrophobicContact CG-CZ3 3.46Å; M112-W280 VanDerWaalsContact CG-CZ3 3.46Å; M112-W280 HydrophobicContact SD-CE3 3.93Å; M112-W280 HydrophobicContact SD-CH2 3.99Å; M112-W280 HydrophobicContact SD-CZ3 3.45Å; M112-W280 WeakPolarHBondContact SD-CZ3 3.48Å; F229-W280 HydrophobicContact CD2-CB 4.33Å; F229-W280 HydrophobicContact CE2-CB 4.46Å; F276-W280 AromaticContact CD2-CD1 3.57Å; F276-W280 AromaticContact CD2-NE1 3.7Å; F276-W280 HydrophobicContact CE1-CB 4.4Å; F276-W280 HydrophobicContact CE1-CG 4.24Å; F276-W280 AromaticContact CE2-CD1 3.45Å; F276-W280 VanDerWaalsContact CE2-CD1 3.45Å; F276-W280 HydrophobicContact CE2-CG 4.19Å; F276-W280 AromaticContact CE2-NE1 3.37Å; F276-W280 AromaticContact CG-CD1 3.91Å; F276-W280 AromaticContact CZ-CD1 3.67Å; F276-W280 HydrophobicContact CZ-CD2 4.4Å; F276-W280 AromaticContact CZ-CG 3.98Å; F276-W280 HydrophobicContact CZ-CG 3.98Å; F276-W280 AromaticContact CZ-NE1 3.92Å; F276-W280 WeakPolarHBondContact O-CB 3.19Å; F276-W280 PolarHBondContact O-N 3.17Å; F277-W280 PolarHBondContact O-N 3.49Å; W280-L283 HydrophobicContact CE3-CD2 4.33Å; W280-L283 HydrophobicContact CZ3-CD2 4.17Å; W280-L283 PolarHBondContact O-N 3.31Å; W280-N284 PolarHBondContact O-N 3.46Å; W280-N284 VanDerWaalsContact O-N 3.12Å; W280-N284 PolarHBondContact O-ND2 3.05Å; W280-A319 HydrophobicContact CD2-CB 4.07Å; W280-A319 HydrophobicContact CE3-CB 4Å; W280-A319 HydrophobicContact CZ3-CB 4.26Å; W280-N322 PolarHBondContact NE1-ND2 3.49Å |
| 281 | M | 94.1 | Very high | 92.9 | Very high | 99 Ų | 99 | 38.4 Ų | 38.4 | 49% | 0.488 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -57.5 | -48.7 | -176.5 | 174.5 | -179.6 | 173.6 | 0 | 0 | 112.8 | F229 F277 L283 N284 V285 | F229-M281 HydrophobicContact CE2-CB 3.81Å; F229-M281 HydrophobicContact CZ-CB 3.71Å; F229-M281 HydrophobicContact CZ-CG 4.04Å; F277-M281 WeakPolarHBondContact O-CA 3.32Å; F277-M281 WeakPolarHBondContact O-CB 2.99Å; F277-M281 PolarHBondContact O-N 3.48Å; M281-L283 VanDerWaalsContact C-N 3.27Å; M281-L283 PolarHBondContact O-N 2.59Å; M281-N284 PolarHBondContact O-N 2.98Å; M281-V285 HydrophobicContact CE-CG2 4.38Å; M281-V285 HydrophobicContact CG-CG2 4.01Å; M281-V285 WeakPolarHBondContact O-CB 3.32Å; M281-V285 WeakPolarHBondContact O-CG2 3.42Å; M281-V285 PolarHBondContact O-N 2.83Å |
| 282 | P | 96.4 | Very high | 93 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 33% | 0.325 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.5 | -39.2 | -177.2 | -28.8 | 40.9 | 0 | 0 | 0 | 112.7 | L278 N286 A315 L318 | L278-P282 VanDerWaalsContact O-CD 3.31Å; L278-P282 WeakPolarHBondContact O-CD 3.33Å; P282-N286 WeakPolarHBondContact O-CB 3.26Å; P282-N286 PolarHBondContact O-N 3.13Å; P282-A315 HydrophobicContact CB-CB 4.02Å; P282-L318 HydrophobicContact CG-CD2 3.92Å |
| 283 | L | 94.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -44.2 | 178.5 | -176.8 | 61 | 0 | 0 | 0 | 112.1 | W280 M281 K287 A315 T316 A319 | W280-L283 HydrophobicContact CE3-CD2 4.33Å; W280-L283 HydrophobicContact CZ3-CD2 4.17Å; W280-L283 PolarHBondContact O-N 3.31Å; M281-L283 VanDerWaalsContact C-N 3.27Å; M281-L283 PolarHBondContact O-N 2.59Å; L283-K287 HydrophobicContact CD1-CD 4.06Å; L283-K287 VanDerWaalsContact CD1-CE 3.48Å; L283-K287 HydrophobicContact CD1-CG 4.24Å; L283-K287 HydrophobicContact CG-CD 4.08Å; L283-K287 WeakPolarHBondContact O-CB 3.44Å; L283-K287 VanDerWaalsContact O-CG 3.32Å; L283-K287 WeakPolarHBondContact O-CG 3.09Å; L283-K287 PolarHBondContact O-N 3.35Å; L283-A315 HydrophobicContact CB-CB 4.27Å; L283-A315 HydrophobicContact CD1-CB 4.38Å; L283-T316 VanDerWaalsContact CD1-OG1 3.28Å; L283-T316 WeakPolarHBondContact CD1-OG1 3.27Å; L283-A319 HydrophobicContact CB-CB 4.21Å; L283-A319 HydrophobicContact CD2-CB 3.7Å |
| 284 | N | 93.3 | Very high | 93 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.6 | -40.7 | 179.1 | -75.3 | -82.7 | 0 | 0 | 0 | 111.2 | F229 W280 M281 T288 | F229-N284 HydrophobicContact CD2-CB 4.45Å; F229-N284 HydrophobicContact CG-CB 4.43Å; W280-N284 PolarHBondContact O-N 3.46Å; W280-N284 VanDerWaalsContact O-N 3.12Å; W280-N284 PolarHBondContact O-ND2 3.05Å; M281-N284 PolarHBondContact O-N 2.98Å; N284-T288 VanDerWaalsContact O-CB 3.3Å; N284-T288 WeakPolarHBondContact O-CB 3.48Å; N284-T288 PolarHBondContact O-N 2.88Å; N284-T288 PolarHBondContact O-OG1 2.91Å |
| 285 | V | 94.5 | Very high | 93 | Very high | 75 Ų | 75 | 41.3 Ų | 41.3 | 46% | 0.455 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.4 | -51.8 | 175.6 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | M281 K287 T288 V289 | M281-V285 HydrophobicContact CE-CG2 4.38Å; M281-V285 HydrophobicContact CG-CG2 4.01Å; M281-V285 WeakPolarHBondContact O-CB 3.32Å; M281-V285 WeakPolarHBondContact O-CG2 3.42Å; M281-V285 PolarHBondContact O-N 2.83Å; V285-K287 PolarHBondContact O-N 3.05Å; V285-T288 PolarHBondContact O-N 3.47Å; V285-V289 HydrophobicContact CG1-CG2 4.3Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.36Å; V285-V289 PolarHBondContact O-N 3.01Å |
| 286 | N | 95.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.6 | -50.1 | 179.9 | 178 | -81.4 | 0 | 0 | 0 | 111.6 | P282 T288 V289 F290 L308 A311 H312 | P282-N286 WeakPolarHBondContact O-CB 3.26Å; P282-N286 PolarHBondContact O-N 3.13Å; N286-T288 PolarHBondContact O-N 3Å; N286-V289 PolarHBondContact O-N 3.46Å; N286-F290 WeakPolarHBondContact O-CB 3.15Å; N286-F290 PolarHBondContact O-N 3.01Å; N286-L308 PolarHBondContact ND2-O 3.47Å; N286-A311 WeakPolarHBondContact ND2-CB 3.18Å; N286-H312 PolarHBondContact ND2-N 3.23Å; N286-H312 PolarHBondContact OD1-ND1 3.45Å |
| 287 | K | 92.9 | Very high | 92.6 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 32% | 0.322 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 177.6 | -74.9 | 176.7 | 175 | 171.7 | 0 | 113.1 | L283 V285 I291 | L283-K287 HydrophobicContact CD1-CD 4.06Å; L283-K287 VanDerWaalsContact CD1-CE 3.48Å; L283-K287 HydrophobicContact CD1-CG 4.24Å; L283-K287 HydrophobicContact CG-CD 4.08Å; L283-K287 WeakPolarHBondContact O-CB 3.44Å; L283-K287 VanDerWaalsContact O-CG 3.32Å; L283-K287 WeakPolarHBondContact O-CG 3.09Å; L283-K287 PolarHBondContact O-N 3.35Å; V285-K287 PolarHBondContact O-N 3.05Å; K287-I291 WeakPolarHBondContact O-CG1 3.41Å; K287-I291 PolarHBondContact O-N 2.92Å; K287-I291 VanDerWaalsContact O-N 3.11Å |
| 288 | T | 93 | Very high | 92.6 | Very high | 39 Ų | 39 | 50 Ų | 50 | 24% | 0.239 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 179.5 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | T225 N284 V285 N286 I291 L292 | T225-T288 PolarHBondContact OG1-OG1 3.39Å; N284-T288 VanDerWaalsContact O-CB 3.3Å; N284-T288 WeakPolarHBondContact O-CB 3.48Å; N284-T288 PolarHBondContact O-N 2.88Å; N284-T288 PolarHBondContact O-OG1 2.91Å; V285-T288 PolarHBondContact O-N 3.47Å; N286-T288 PolarHBondContact O-N 3Å; T288-I291 PolarHBondContact O-N 3.06Å; T288-L292 HydrophobicContact CG2-CD1 4.05Å; T288-L292 HydrophobicContact CG2-CG 4.43Å; T288-L292 VanDerWaalsContact O-CG 3.25Å; T288-L292 WeakPolarHBondContact O-CG 2.96Å; T288-L292 PolarHBondContact O-N 3.32Å |
| 289 | V | 93.8 | Very high | 92.4 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 26% | 0.261 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 177.8 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | V285 N286 I291 L292 L293 L304 L308 | V285-V289 HydrophobicContact CG1-CG2 4.3Å; V285-V289 VanDerWaalsContact O-CG2 3.31Å; V285-V289 WeakPolarHBondContact O-CG2 3.36Å; V285-V289 PolarHBondContact O-N 3.01Å; N286-V289 PolarHBondContact O-N 3.46Å; V289-I291 VanDerWaalsContact C-N 3.31Å; V289-I291 PolarHBondContact O-N 2.89Å; V289-L292 PolarHBondContact O-N 2.9Å; V289-L293 PolarHBondContact O-N 2.83Å; V289-L304 HydrophobicContact CG1-CD1 4.42Å; V289-L308 HydrophobicContact CB-CD2 3.95Å; V289-L308 HydrophobicContact CG1-CD1 3.98Å; V289-L308 HydrophobicContact CG1-CD2 3.91Å |
| 290 | F | 92.9 | Very high | 92.1 | Very high | 63 Ų | 63 | 52.8 Ų | 52.8 | 28% | 0.276 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.2 | -47.3 | 174.9 | -176.5 | -97.4 | 0 | 0 | 0 | 111.8 | N286 L292 L293 E294 L308 L309 | N286-F290 WeakPolarHBondContact O-CB 3.15Å; N286-F290 PolarHBondContact O-N 3.01Å; F290-L292 PolarHBondContact O-N 3.45Å; F290-L293 WeakPolarHBondContact O-CB 3.41Å; F290-L293 PolarHBondContact O-N 3.28Å; F290-E294 HydrophobicContact CD1-CG 4.27Å; F290-E294 HydrophobicContact CE1-CG 3.89Å; F290-E294 HydrophobicContact CZ-CG 4.2Å; F290-E294 WeakPolarHBondContact O-CG 3.27Å; F290-E294 PolarHBondContact O-N 2.95Å; F290-L308 HydrophobicContact CB-CD1 4.37Å; F290-L308 HydrophobicContact CD2-CB 4.34Å; F290-L308 HydrophobicContact CD2-CD1 4.46Å; F290-L309 HydrophobicContact CE2-CD2 4.29Å |
| 291 | I | 91.1 | Very high | 91.9 | Very high | 23 Ų | 23 | 54.4 Ų | 54.4 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72 | -33.2 | -179.2 | -72.1 | 169.3 | 0 | 0 | 0 | 112.9 | A218 S221 K287 T288 V289 L293 E294 L295 | A218-I291 HydrophobicContact CB-CG2 3.5Å; S221-I291 WeakPolarHBondContact OG-CD1 3.19Å; K287-I291 WeakPolarHBondContact O-CG1 3.41Å; K287-I291 PolarHBondContact O-N 2.92Å; K287-I291 VanDerWaalsContact O-N 3.11Å; T288-I291 PolarHBondContact O-N 3.06Å; V289-I291 VanDerWaalsContact C-N 3.31Å; V289-I291 PolarHBondContact O-N 2.89Å; I291-L293 PolarHBondContact O-N 2.89Å; I291-E294 PolarHBondContact O-N 3.1Å; I291-L295 HydrophobicContact CG2-CD1 4.01Å; I291-L295 HydrophobicContact CG2-CG 4.38Å; I291-L295 WeakPolarHBondContact O-CB 3.5Å; I291-L295 VanDerWaalsContact O-CG 3.27Å; I291-L295 WeakPolarHBondContact O-CG 3.47Å; I291-L295 PolarHBondContact O-N 3.15Å |
| 292 | L | 91.7 | Very high | 91.6 | Very high | 58 Ų | 58 | 50.8 Ų | 50.8 | 30% | 0.304 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.8 | -30.5 | 173.8 | -70.7 | 173.1 | 0 | 0 | 0 | 112.1 | T288 V289 F290 G296 I297 V298 | T288-L292 HydrophobicContact CG2-CD1 4.05Å; T288-L292 HydrophobicContact CG2-CG 4.43Å; T288-L292 VanDerWaalsContact O-CG 3.25Å; T288-L292 WeakPolarHBondContact O-CG 2.96Å; T288-L292 PolarHBondContact O-N 3.32Å; V289-L292 PolarHBondContact O-N 2.9Å; F290-L292 PolarHBondContact O-N 3.45Å; L292-G296 PolarHBondContact O-N 2.98Å; L292-I297 HydrophobicContact CD2-CB 4.23Å; L292-I297 HydrophobicContact CD2-CD1 3.67Å; L292-I297 HydrophobicContact CD2-CG2 4.22Å; L292-I297 PolarHBondContact O-N 2.85Å; L292-V298 HydrophobicContact CB-CG2 3.84Å; L292-V298 PolarHBondContact O-N 3.45Å |
| 293 | L | 91.3 | Very high | 91.3 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.063 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.4 | -47.6 | 172.7 | 176.5 | 150.6 | 0 | 0 | 0 | 110.6 | V289 F290 I291 L295 G296 Y300 L304 L308 | V289-L293 PolarHBondContact O-N 2.83Å; F290-L293 WeakPolarHBondContact O-CB 3.41Å; F290-L293 PolarHBondContact O-N 3.28Å; I291-L293 PolarHBondContact O-N 2.89Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 PolarHBondContact O-N 3.37Å; L293-G296 PolarHBondContact O-N 3.5Å; L293-Y300 HydrophobicContact CD1-CD2 4.18Å; L293-Y300 HydrophobicContact CD2-CD2 3.79Å; L293-Y300 HydrophobicContact CD2-CE2 4.14Å; L293-Y300 HydrophobicContact CG-CD2 4.07Å; L293-L304 HydrophobicContact CD1-CB 4.48Å; L293-L304 HydrophobicContact CD1-CD2 3.77Å; L293-L304 HydrophobicContact CD1-CG 3.97Å; L293-L308 HydrophobicContact CD1-CD1 4.26Å |
| 294 | E | 87.4 | Confident | 91.1 | Very high | 93 Ų | 93 | 54.5 Ų | 54.5 | 44% | 0.435 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.6 | -36.7 | 174.3 | -73 | -68.1 | 163.2 | 0 | 0 | 113.4 | V214 F290 I291 G296 | V214-E294 HydrophobicContact CG1-CB 4.19Å; F290-E294 HydrophobicContact CD1-CG 4.27Å; F290-E294 HydrophobicContact CE1-CG 3.89Å; F290-E294 HydrophobicContact CZ-CG 4.2Å; F290-E294 WeakPolarHBondContact O-CG 3.27Å; F290-E294 PolarHBondContact O-N 2.95Å; I291-E294 PolarHBondContact O-N 3.1Å; E294-G296 PolarHBondContact O-N 3.26Å |
| 295 | L | 88.4 | Confident | 90.9 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 28% | 0.277 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -2.3 | 176 | -69.6 | 174.2 | 0 | 0 | 0 | 113.8 | V214 W215 A218 I291 L293 I297 | V214-L295 HydrophobicContact CG1-CD2 4.23Å; W215-L295 HydrophobicContact CD2-CD2 4.4Å; W215-L295 HydrophobicContact CE3-CD2 4.32Å; W215-L295 HydrophobicContact CH2-CD2 4.44Å; W215-L295 HydrophobicContact CZ3-CD2 4.35Å; A218-L295 HydrophobicContact CB-CD1 3.96Å; A218-L295 HydrophobicContact CB-CD2 4.29Å; A218-L295 HydrophobicContact CB-CG 4.36Å; I291-L295 HydrophobicContact CG2-CD1 4.01Å; I291-L295 HydrophobicContact CG2-CG 4.38Å; I291-L295 WeakPolarHBondContact O-CB 3.5Å; I291-L295 VanDerWaalsContact O-CG 3.27Å; I291-L295 WeakPolarHBondContact O-CG 3.47Å; I291-L295 PolarHBondContact O-N 3.15Å; L293-L295 VanDerWaalsContact C-N 3.3Å; L293-L295 PolarHBondContact O-N 3.37Å; L295-I297 HydrophobicContact CB-CD1 4.04Å; L295-I297 HydrophobicContact CB-CG1 4.14Å; L295-I297 HydrophobicContact CD1-CD1 4.16Å; L295-I297 PolarHBondContact O-N 3.31Å |
| 296 | G | 87.4 | Confident | 90.7 | Very high | 63 Ų | 63 | 54.1 Ų | 54.1 | 65% | 0.649 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 18.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L292 L293 E294 | L292-G296 PolarHBondContact O-N 2.98Å; L293-G296 PolarHBondContact O-N 3.5Å; E294-G296 PolarHBondContact O-N 3.26Å |
| 297 | I | 90.3 | Very high | 90.5 | Very high | 113 Ų | 113 | 56.1 Ų | 56.1 | 58% | 0.579 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -79.5 | -37 | 177.3 | -63.9 | 169.4 | 0 | 0 | 0 | 110.4 | L292 L295 | L292-I297 HydrophobicContact CD2-CB 4.23Å; L292-I297 HydrophobicContact CD2-CD1 3.67Å; L292-I297 HydrophobicContact CD2-CG2 4.22Å; L292-I297 PolarHBondContact O-N 2.85Å; L295-I297 HydrophobicContact CB-CD1 4.04Å; L295-I297 HydrophobicContact CB-CG1 4.14Å; L295-I297 HydrophobicContact CD1-CD1 4.16Å; L295-I297 PolarHBondContact O-N 3.31Å |
| 298 | V | 90.8 | Very high | 90.5 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 26% | 0.261 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -101.3 | 136.6 | 174.1 | 172.7 | 0 | 0 | 0 | 0 | 108.3 | L292 Y300 L304 | L292-V298 HydrophobicContact CB-CG2 3.84Å; L292-V298 PolarHBondContact O-N 3.45Å; V298-Y300 PolarHBondContact O-N 3.36Å; V298-L304 HydrophobicContact CG1-CD2 3.92Å |
| 299 | P | 89.9 | Confident | 90.3 | Very high | 109 Ų | 109 | 55.3 Ų | 55.3 | 71% | 0.708 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 133 | 179.3 | 25.8 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 300 | Y | 90.1 | Very high | 90.1 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 26% | 0.255 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -67 | 137.9 | 177 | -176.4 | -98.6 | 0 | 0 | 0 | 111.4 | C17 L293 V298 D305 | C17-Y300 PolarHBondContact SG-OH 3.45Å; L293-Y300 HydrophobicContact CD1-CD2 4.18Å; L293-Y300 HydrophobicContact CD2-CD2 3.79Å; L293-Y300 HydrophobicContact CD2-CE2 4.14Å; L293-Y300 HydrophobicContact CG-CD2 4.07Å; V298-Y300 PolarHBondContact O-N 3.36Å; Y300-D305 HydrophobicContact CE2-CB 4Å |
| 301 | S | 90.3 | Very high | 90.1 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 31% | 0.308 | 32% | 0.319 | S | S | . | . | trans | -151.4 | 136.9 | 168.5 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | S303 L304 D305 | S301-S303 PolarHBondContact O-N 2.92Å; S301-L304 PolarHBondContact O-N 2.99Å; S301-L304 WeakPolarHBondContact OG-CB 3.37Å; S301-D305 PolarHBondContact O-N 3.44Å; S301-D305 VanDerWaalsContact O-N 3.07Å | ||
| 302 | C | 88.8 | Confident | 90.2 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.4 | -40.1 | -179 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | C17 L304 D305 Q306 | C17-C302 VanDerWaalsContact CA-SG 3.6Å; C17-C302 HydrophobicContact CB-CB 3.74Å; C17-C302 WeakPolarHBondContact CB-SG 3.31Å; C17-C302 VanDerWaalsContact SG-CA 3.51Å; C17-C302 WeakPolarHBondContact SG-CB 3.27Å; C17-C302 CovalentContact SG-SG 2.05Å; C17-C302 PolarHBondContact SG-SG 3.31Å; C302-L304 PolarHBondContact O-N 3.26Å; C302-D305 PolarHBondContact O-N 2.99Å; C302-Q306 VanDerWaalsContact O-CB 3.29Å; C302-Q306 WeakPolarHBondContact O-CB 3.31Å; C302-Q306 WeakPolarHBondContact O-CG 3.49Å; C302-Q306 PolarHBondContact O-N 3.44Å |
| 303 | S | 89 | Confident | 90.3 | Very high | 81 Ų | 81 | 53 Ų | 53 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.8 | -36 | 179.9 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | S301 A307 | S301-S303 PolarHBondContact O-N 2.92Å; S303-A307 WeakPolarHBondContact O-CB 3.25Å; S303-A307 PolarHBondContact O-N 3.2Å |
| 304 | L | 90.8 | Very high | 90.4 | Very high | 50 Ų | 50 | 56.7 Ų | 56.7 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -70.7 | -45.9 | 176.5 | 179 | 60.3 | 0 | 0 | 0 | 110.9 | V289 L293 V298 S301 C302 A307 L308 | V289-L304 HydrophobicContact CG1-CD1 4.42Å; L293-L304 HydrophobicContact CD1-CB 4.48Å; L293-L304 HydrophobicContact CD1-CD2 3.77Å; L293-L304 HydrophobicContact CD1-CG 3.97Å; V298-L304 HydrophobicContact CG1-CD2 3.92Å; S301-L304 PolarHBondContact O-N 2.99Å; S301-L304 WeakPolarHBondContact OG-CB 3.37Å; C302-L304 PolarHBondContact O-N 3.26Å; L304-A307 PolarHBondContact O-N 2.8Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CG 4.22Å; L304-L308 HydrophobicContact CG-CD1 3.95Å; L304-L308 HydrophobicContact CG-CG 4.49Å; L304-L308 WeakPolarHBondContact O-CB 2.82Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 3.22Å |
| 305 | D | 90.1 | Very high | 90.8 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.059 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 178.4 | -178 | 58.9 | 0 | 0 | 0 | 111.6 | Y19 Y300 S301 C302 A307 L308 L309 | Y19-D305 VanDerWaalsContact CE1-OD2 3.3Å; Y19-D305 WeakPolarHBondContact CE1-OD2 3.39Å; Y19-D305 PolarHBondContact OH-OD2 2.92Å; Y300-D305 HydrophobicContact CE2-CB 4Å; S301-D305 PolarHBondContact O-N 3.44Å; S301-D305 VanDerWaalsContact O-N 3.07Å; C302-D305 PolarHBondContact O-N 2.99Å; D305-A307 VanDerWaalsContact C-N 3.33Å; D305-A307 PolarHBondContact O-N 3.18Å; D305-L308 WeakPolarHBondContact O-CB 3.14Å; D305-L308 PolarHBondContact O-N 3.09Å; D305-L308 VanDerWaalsContact O-N 3.07Å; D305-L309 WeakPolarHBondContact O-CG 3.25Å; D305-L309 PolarHBondContact O-N 3.41Å |
| 306 | Q | 89.2 | Confident | 91.2 | Very high | 65 Ų | 65 | 50.9 Ų | 50.9 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -54.9 | -46.2 | 173.1 | -72.9 | 166.3 | -5.7 | 0 | 0 | 112 | D18 Y19 C302 L308 L309 A310 | D18-Q306 PolarHBondContact O-NE2 2.63Å; Y19-Q306 HydrophobicContact CD1-CG 3.85Å; Y19-Q306 HydrophobicContact CE1-CG 3.86Å; C302-Q306 VanDerWaalsContact O-CB 3.29Å; C302-Q306 WeakPolarHBondContact O-CB 3.31Å; C302-Q306 WeakPolarHBondContact O-CG 3.49Å; C302-Q306 PolarHBondContact O-N 3.44Å; Q306-L308 VanDerWaalsContact C-N 3.3Å; Q306-L308 PolarHBondContact O-N 2.9Å; Q306-L309 PolarHBondContact O-N 3.04Å; Q306-A310 WeakPolarHBondContact O-CB 3.41Å; Q306-A310 PolarHBondContact O-N 2.82Å |
| 307 | A | 90.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 44% | 0.438 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S303 L304 D305 A311 | S303-A307 WeakPolarHBondContact O-CB 3.25Å; S303-A307 PolarHBondContact O-N 3.2Å; L304-A307 PolarHBondContact O-N 2.8Å; D305-A307 VanDerWaalsContact C-N 3.33Å; D305-A307 PolarHBondContact O-N 3.18Å; A307-A311 WeakPolarHBondContact O-CB 3.5Å; A307-A311 PolarHBondContact O-N 2.87Å |
| 308 | L | 92.9 | Very high | 91.9 | Very high | 14 Ų | 14 | 46 Ų | 46 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70.2 | -48.2 | 177.5 | -70.8 | 165.8 | 0 | 0 | 0 | 111.3 | N286 V289 F290 L293 L304 D305 Q306 A310 A311 H312 | N286-L308 PolarHBondContact ND2-O 3.47Å; V289-L308 HydrophobicContact CB-CD2 3.95Å; V289-L308 HydrophobicContact CG1-CD1 3.98Å; V289-L308 HydrophobicContact CG1-CD2 3.91Å; F290-L308 HydrophobicContact CB-CD1 4.37Å; F290-L308 HydrophobicContact CD2-CB 4.34Å; F290-L308 HydrophobicContact CD2-CD1 4.46Å; L293-L308 HydrophobicContact CD1-CD1 4.26Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CG 4.22Å; L304-L308 HydrophobicContact CG-CD1 3.95Å; L304-L308 HydrophobicContact CG-CG 4.49Å; L304-L308 WeakPolarHBondContact O-CB 2.82Å; L304-L308 WeakPolarHBondContact O-CG 3.33Å; L304-L308 PolarHBondContact O-N 3.22Å; D305-L308 WeakPolarHBondContact O-CB 3.14Å; D305-L308 PolarHBondContact O-N 3.09Å; D305-L308 VanDerWaalsContact O-N 3.07Å; Q306-L308 VanDerWaalsContact C-N 3.3Å; Q306-L308 PolarHBondContact O-N 2.9Å; L308-A310 VanDerWaalsContact C-N 3.28Å; L308-A310 PolarHBondContact O-N 3.29Å; L308-A311 PolarHBondContact O-N 3.4Å; L308-H312 WeakPolarHBondContact O-CB 3.36Å; L308-H312 PolarHBondContact O-N 3.29Å |
| 309 | L | 89.7 | Confident | 92.2 | Very high | 81 Ų | 81 | 43.9 Ų | 43.9 | 42% | 0.424 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 174.6 | -68.7 | 173 | 0 | 0 | 0 | 111 | Y19 F290 D305 Q306 P313 | Y19-L309 HydrophobicContact CD1-CD1 4.14Å; Y19-L309 HydrophobicContact CE1-CD1 3.68Å; F290-L309 HydrophobicContact CE2-CD2 4.29Å; D305-L309 WeakPolarHBondContact O-CG 3.25Å; D305-L309 PolarHBondContact O-N 3.41Å; Q306-L309 PolarHBondContact O-N 3.04Å; L309-P313 WeakPolarHBondContact O-CD 3.47Å |
| 310 | A | 89.3 | Confident | 92.4 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 9% | 0.091 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | W22 Q306 L308 H312 P313 | W22-A310 HydrophobicContact CD2-CB 3.41Å; W22-A310 VanDerWaalsContact CD2-CB 3.41Å; W22-A310 HydrophobicContact CE3-CB 3.56Å; W22-A310 HydrophobicContact CG-CB 4.06Å; W22-A310 VanDerWaalsContact CH2-C 3.41Å; W22-A310 HydrophobicContact CH2-CB 3.67Å; W22-A310 WeakPolarHBondContact CH2-O 3.47Å; W22-A310 HydrophobicContact CZ2-CB 3.47Å; W22-A310 VanDerWaalsContact CZ2-CB 3.47Å; W22-A310 WeakPolarHBondContact CZ2-O 3.2Å; W22-A310 HydrophobicContact CZ3-CB 3.74Å; W22-A310 WeakPolarHBondContact CZ3-O 3.46Å; Q306-A310 WeakPolarHBondContact O-CB 3.41Å; Q306-A310 PolarHBondContact O-N 2.82Å; L308-A310 VanDerWaalsContact C-N 3.28Å; L308-A310 PolarHBondContact O-N 3.29Å; A310-H312 VanDerWaalsContact C-N 3.33Å; A310-H312 PolarHBondContact O-N 2.95Å; A310-P313 WeakPolarHBondContact O-CD 3.5Å; A310-P313 WeakPolarHBondContact O-CG 3.33Å |
| 311 | A | 92.8 | Very high | 92.7 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 37% | 0.372 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -73.2 | -26.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N286 A307 L308 Y314 A315 | N286-A311 WeakPolarHBondContact ND2-CB 3.18Å; A307-A311 WeakPolarHBondContact O-CB 3.5Å; A307-A311 PolarHBondContact O-N 2.87Å; L308-A311 PolarHBondContact O-N 3.4Å; A311-Y314 PolarHBondContact O-N 2.88Å; A311-A315 VanDerWaalsContact O-CB 3.25Å; A311-A315 WeakPolarHBondContact O-CB 3.32Å; A311-A315 PolarHBondContact O-N 2.89Å |
| 312 | H | 93.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 36.8 Ų | 36.8 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -52.8 | -52.7 | -175.5 | -173.5 | 82.9 | 0 | 0 | 0 | 115.2 | N286 L308 A310 Y314 A315 T316 | N286-H312 PolarHBondContact ND2-N 3.23Å; N286-H312 PolarHBondContact OD1-ND1 3.45Å; L308-H312 WeakPolarHBondContact O-CB 3.36Å; L308-H312 PolarHBondContact O-N 3.29Å; A310-H312 VanDerWaalsContact C-N 3.33Å; A310-H312 PolarHBondContact O-N 2.95Å; H312-Y314 PolarHBondContact O-N 3.39Å; H312-A315 PolarHBondContact O-N 2.95Å; H312-T316 WeakPolarHBondContact O-CB 3.03Å; H312-T316 PolarHBondContact O-N 2.9Å; H312-T316 PolarHBondContact O-OG1 2.97Å |
| 313 | P | 93.3 | Very high | 93.3 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 7% | 0.065 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | -178.7 | 24 | -35.2 | 0 | 0 | 0 | 112.6 | W22 P24 I29 L309 A310 C317 | W22-P313 HydrophobicContact CH2-CG 4.31Å; W22-P313 HydrophobicContact CZ3-CG 4.37Å; P24-P313 HydrophobicContact CB-CB 4.39Å; P24-P313 HydrophobicContact CB-CG 4.01Å; I29-P313 HydrophobicContact CD1-CB 3.74Å; L309-P313 WeakPolarHBondContact O-CD 3.47Å; A310-P313 WeakPolarHBondContact O-CD 3.5Å; A310-P313 WeakPolarHBondContact O-CG 3.33Å; P313-C317 WeakPolarHBondContact O-CB 3.3Å; P313-C317 PolarHBondContact O-N 3.29Å |
| 314 | Y | 94.4 | Very high | 93.5 | Very high | 88 Ų | 88 | 32.3 Ų | 32.3 | 35% | 0.345 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -71.1 | -40 | 176.3 | -65.2 | -66.7 | 0 | 0 | 0 | 112.5 | W22 S25 I29 A311 H312 T316 C317 L318 | W22-Y314 AromaticContact CH2-CD2 3.8Å; W22-Y314 HydrophobicContact CH2-CD2 3.8Å; W22-Y314 AromaticContact CH2-CE2 3.26Å; W22-Y314 HydrophobicContact CH2-CE2 3.26Å; W22-Y314 HydrophobicContact CZ2-CD2 4.05Å; W22-Y314 AromaticContact CZ2-CE2 3.42Å; W22-Y314 HydrophobicContact CZ2-CE2 3.42Å; W22-Y314 VanDerWaalsContact CZ2-CE2 3.42Å; S25-Y314 PolarHBondContact OG-OH 3.08Å; S25-Y314 VanDerWaalsContact OG-OH 3.1Å; I29-Y314 HydrophobicContact CD1-CD1 4.12Å; I29-Y314 HydrophobicContact CD1-CE1 3.99Å; I29-Y314 HydrophobicContact CG1-CD1 4.23Å; I29-Y314 HydrophobicContact CG1-CE1 4.09Å; A311-Y314 PolarHBondContact O-N 2.88Å; H312-Y314 PolarHBondContact O-N 3.39Å; Y314-T316 VanDerWaalsContact C-N 3.33Å; Y314-T316 PolarHBondContact O-N 3.36Å; Y314-C317 WeakPolarHBondContact O-CB 3.47Å; Y314-C317 PolarHBondContact O-N 3.32Å; Y314-L318 WeakPolarHBondContact O-CB 3.41Å; Y314-L318 PolarHBondContact O-N 2.87Å |
| 315 | A | 96.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | P282 L283 A311 H312 L318 A319 | P282-A315 HydrophobicContact CB-CB 4.02Å; L283-A315 HydrophobicContact CB-CB 4.27Å; L283-A315 HydrophobicContact CD1-CB 4.38Å; A311-A315 VanDerWaalsContact O-CB 3.25Å; A311-A315 WeakPolarHBondContact O-CB 3.32Å; A311-A315 PolarHBondContact O-N 2.89Å; H312-A315 PolarHBondContact O-N 2.95Å; A315-L318 PolarHBondContact O-N 3.32Å; A315-A319 PolarHBondContact O-N 3.4Å |
| 316 | T | 95.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 32 Ų | 32 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | 173 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | L283 H312 Y314 L318 A319 Y320 | L283-T316 VanDerWaalsContact CD1-OG1 3.28Å; L283-T316 WeakPolarHBondContact CD1-OG1 3.27Å; H312-T316 WeakPolarHBondContact O-CB 3.03Å; H312-T316 PolarHBondContact O-N 2.9Å; H312-T316 PolarHBondContact O-OG1 2.97Å; Y314-T316 VanDerWaalsContact C-N 3.33Å; Y314-T316 PolarHBondContact O-N 3.36Å; T316-L318 VanDerWaalsContact C-N 3.35Å; T316-L318 PolarHBondContact O-N 2.84Å; T316-A319 PolarHBondContact O-N 2.85Å; T316-Y320 HydrophobicContact CG2-CD1 4.37Å; T316-Y320 HydrophobicContact CG2-CD2 4.37Å; T316-Y320 HydrophobicContact CG2-CE1 3.89Å; T316-Y320 HydrophobicContact CG2-CE2 3.89Å; T316-Y320 WeakPolarHBondContact O-CD1 3.46Å; T316-Y320 PolarHBondContact O-N 2.84Å |
| 317 | C | 95.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.034 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 177.3 | -173.8 | 0 | 0 | 0 | 0 | 112.5 | I29 I32 Y33 P313 Y314 A319 Y320 L321 | I29-C317 HydrophobicContact CG2-CB 4.21Å; I32-C317 VanDerWaalsContact CG2-SG 3.54Å; Y33-C317 HydrophobicContact CE1-CB 4Å; P313-C317 WeakPolarHBondContact O-CB 3.3Å; P313-C317 PolarHBondContact O-N 3.29Å; Y314-C317 WeakPolarHBondContact O-CB 3.47Å; Y314-C317 PolarHBondContact O-N 3.32Å; C317-A319 PolarHBondContact O-N 2.89Å; C317-Y320 PolarHBondContact O-N 3.47Å; C317-L321 WeakPolarHBondContact O-CG 3.38Å; C317-L321 PolarHBondContact O-N 2.92Å; C317-L321 VanDerWaalsContact O-N 3.12Å |
| 318 | L | 96.6 | Very high | 94 | Very high | 68 Ų | 68 | 31.2 Ų | 31.2 | 36% | 0.356 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64 | -39.8 | 177.5 | -177.7 | 61 | 0 | 0 | 0 | 112.1 | C279 P282 Y314 A315 T316 Y320 L321 | C279-L318 WeakPolarHBondContact CB-O 3.44Å; P282-L318 HydrophobicContact CG-CD2 3.92Å; Y314-L318 WeakPolarHBondContact O-CB 3.41Å; Y314-L318 PolarHBondContact O-N 2.87Å; A315-L318 PolarHBondContact O-N 3.32Å; T316-L318 VanDerWaalsContact C-N 3.35Å; T316-L318 PolarHBondContact O-N 2.84Å; L318-Y320 VanDerWaalsContact C-N 3.31Å; L318-Y320 PolarHBondContact O-N 3.42Å; L318-L321 PolarHBondContact O-N 3.38Å |
| 319 | A | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | C279 W280 L283 A315 T316 C317 N322 | C279-A319 WeakPolarHBondContact O-CA 3.42Å; C279-A319 PolarHBondContact O-N 3.45Å; W280-A319 HydrophobicContact CD2-CB 4.07Å; W280-A319 HydrophobicContact CE3-CB 4Å; W280-A319 HydrophobicContact CZ3-CB 4.26Å; L283-A319 HydrophobicContact CB-CB 4.21Å; L283-A319 HydrophobicContact CD2-CB 3.7Å; A315-A319 PolarHBondContact O-N 3.4Å; T316-A319 PolarHBondContact O-N 2.85Å; C317-A319 PolarHBondContact O-N 2.89Å; A319-N322 WeakPolarHBondContact O-CB 3.44Å; A319-N322 PolarHBondContact O-N 2.91Å |
| 320 | Y | 95.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 28.4 Ų | 28.4 | 9% | 0.094 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.2 | -33.1 | 179 | -70.5 | 0.2 | 0 | 0 | 0 | 113 | Y33 F77 L81 W84 T108 T316 C317 L318 N322 S323 | Y33-Y320 HydrophobicContact CD1-CD2 4.3Å; Y33-Y320 AromaticContact CE1-CD2 3.53Å; Y33-Y320 HydrophobicContact CE1-CD2 3.53Å; Y33-Y320 HydrophobicContact CE1-CE2 4.38Å; Y33-Y320 HydrophobicContact CE1-CG 4.28Å; Y33-Y320 HydrophobicContact CE2-CD2 4.34Å; Y33-Y320 HydrophobicContact CE2-CE2 4.47Å; Y33-Y320 AromaticContact CZ-CD2 3.56Å; Y33-Y320 AromaticContact CZ-CE2 3.96Å; F77-Y320 HydrophobicContact CE1-CD1 4.44Å; F77-Y320 HydrophobicContact CE1-CG 4.31Å; F77-Y320 HydrophobicContact CE2-CD1 4.11Å; F77-Y320 HydrophobicContact CE2-CD2 4.41Å; F77-Y320 HydrophobicContact CE2-CE1 4.11Å; F77-Y320 HydrophobicContact CE2-CE2 4.41Å; F77-Y320 HydrophobicContact CE2-CG 4.28Å; F77-Y320 AromaticContact CZ-CD1 3.54Å; F77-Y320 HydrophobicContact CZ-CD1 3.54Å; F77-Y320 AromaticContact CZ-CD2 3.82Å; F77-Y320 HydrophobicContact CZ-CD2 3.82Å; F77-Y320 HydrophobicContact CZ-CE1 4.01Å; F77-Y320 HydrophobicContact CZ-CE2 4.27Å; F77-Y320 AromaticContact CZ-CG 3.45Å; F77-Y320 HydrophobicContact CZ-CG 3.45Å; F77-Y320 VanDerWaalsContact CZ-CG 3.45Å; L81-Y320 HydrophobicContact CD2-CD2 3.6Å; L81-Y320 HydrophobicContact CD2-CE2 4.25Å; L81-Y320 HydrophobicContact CD2-CG 4.23Å; W84-Y320 HydrophobicContact CG-CE2 4.38Å; T108-Y320 HydrophobicContact CG2-CE1 3.65Å; T316-Y320 HydrophobicContact CG2-CD1 4.37Å; T316-Y320 HydrophobicContact CG2-CD2 4.37Å; T316-Y320 HydrophobicContact CG2-CE1 3.89Å; T316-Y320 HydrophobicContact CG2-CE2 3.89Å; T316-Y320 WeakPolarHBondContact O-CD1 3.46Å; T316-Y320 PolarHBondContact O-N 2.84Å; C317-Y320 PolarHBondContact O-N 3.47Å; L318-Y320 VanDerWaalsContact C-N 3.31Å; L318-Y320 PolarHBondContact O-N 3.42Å; Y320-N322 PolarHBondContact O-N 2.92Å; Y320-N322 VanDerWaalsContact O-N 3.17Å; Y320-S323 PolarHBondContact O-N 3.07Å |
| 321 | L | 96 | Very high | 93.8 | Very high | 44 Ų | 44 | 30 Ų | 30 | 23% | 0.23 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.4 | -22 | 175.5 | -72.5 | 177.1 | 0 | 0 | 0 | 113.3 | I32 A36 C317 L318 S323 C324 L325 | I32-L321 HydrophobicContact CG2-CD1 4.05Å; I32-L321 HydrophobicContact CG2-CD2 3.66Å; I32-L321 HydrophobicContact CG2-CG 4.1Å; A36-L321 HydrophobicContact CB-CD2 3.85Å; C317-L321 WeakPolarHBondContact O-CG 3.38Å; C317-L321 PolarHBondContact O-N 2.92Å; C317-L321 VanDerWaalsContact O-N 3.12Å; L318-L321 PolarHBondContact O-N 3.38Å; L321-S323 PolarHBondContact O-N 2.91Å; L321-S323 VanDerWaalsContact O-N 3.12Å; L321-C324 VanDerWaalsContact CD2-SG 3.58Å; L321-C324 PolarHBondContact O-N 2.94Å; L321-C324 PolarHBondContact O-SG 3.11Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.31Å; L321-L325 PolarHBondContact O-N 3.39Å; L321-L325 VanDerWaalsContact O-N 3.07Å |
| 322 | N | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -47.2 | -43.5 | 173.8 | 177 | 67.5 | 0 | 0 | 0 | 112.3 | F276 C279 W280 A319 Y320 C324 L325 | F276-N322 VanDerWaalsContact CA-OD1 3.3Å; F276-N322 WeakPolarHBondContact CA-OD1 3.29Å; C279-N322 HydrophobicContact CB-CB 3.83Å; W280-N322 PolarHBondContact NE1-ND2 3.49Å; A319-N322 WeakPolarHBondContact O-CB 3.44Å; A319-N322 PolarHBondContact O-N 2.91Å; Y320-N322 PolarHBondContact O-N 2.92Å; Y320-N322 VanDerWaalsContact O-N 3.17Å; N322-C324 PolarHBondContact O-N 3.41Å; N322-L325 PolarHBondContact O-N 3.22Å |
| 323 | S | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.4 | -27.2 | -176.1 | -71.2 | 0 | 0 | 0 | 0 | 114 | N44 D74 N111 Y320 L321 | N44-S323 PolarHBondContact ND2-O 3.5Å; D74-S323 VanDerWaalsContact OD1-CA 3.28Å; D74-S323 WeakPolarHBondContact OD1-CA 3.41Å; D74-S323 WeakPolarHBondContact OD1-CB 3.22Å; D74-S323 PolarHBondContact OD1-OG 3.01Å; N111-S323 PolarHBondContact ND2-OG 3.47Å; Y320-S323 PolarHBondContact O-N 3.07Å; L321-S323 PolarHBondContact O-N 2.91Å; L321-S323 VanDerWaalsContact O-N 3.12Å |
| 324 | C | 94.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 7% | 0.068 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -90.8 | -16.8 | 175.4 | 68.2 | 0 | 0 | 0 | 0 | 113.2 | A36 L321 N322 | A36-C324 HydrophobicContact CB-CB 4.27Å; L321-C324 VanDerWaalsContact CD2-SG 3.58Å; L321-C324 PolarHBondContact O-N 2.94Å; L321-C324 PolarHBondContact O-SG 3.11Å; N322-C324 PolarHBondContact O-N 3.41Å |
| 325 | L | 94.3 | Very high | 92 | Very high | 55 Ų | 55 | 26.4 Ų | 26.4 | 29% | 0.288 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -72.2 | -31.6 | 176.9 | -71.2 | 173.2 | 0 | 0 | 0 | 112.6 | C279 L321 N322 L328 L329 | C279-L325 VanDerWaalsContact SG-CD1 3.55Å; L321-L325 VanDerWaalsContact O-CG 3.3Å; L321-L325 WeakPolarHBondContact O-CG 3.31Å; L321-L325 PolarHBondContact O-N 3.39Å; L321-L325 VanDerWaalsContact O-N 3.07Å; N322-L325 PolarHBondContact O-N 3.22Å; L325-L328 HydrophobicContact CD2-CD1 4.43Å; L325-L328 WeakPolarHBondContact O-CB 3.49Å; L325-L328 PolarHBondContact O-N 3.47Å; L325-L329 HydrophobicContact CB-CD1 4.34Å; L325-L329 VanDerWaalsContact O-CG 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.45Å; L325-L329 PolarHBondContact O-N 2.99Å |
| 326 | N | 91.9 | Very high | 91.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -52.6 | -53.8 | -175 | -71.1 | -23.9 | 0 | 0 | 0 | 113.5 | D74 L272 L328 L329 Y330 | D74-N326 PolarHBondContact OD2-ND2 3.15Å; L272-N326 HydrophobicContact CD2-CB 4.47Å; N326-L328 VanDerWaalsContact C-N 3.32Å; N326-L328 PolarHBondContact O-N 3.05Å; N326-L329 PolarHBondContact O-N 3.18Å; N326-Y330 HydrophobicContact CB-CE2 4.27Å; N326-Y330 WeakPolarHBondContact O-CD2 3.07Å; N326-Y330 PolarHBondContact O-N 2.93Å |
| 327 | P | 92.2 | Very high | 90.6 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 7% | 0.071 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.3 | -39.4 | 174.9 | -25.9 | 35.1 | 0 | 0 | 0 | 114.5 | N44 V47 Y330 A331 | N44-P327 HydrophobicContact CB-CG 4.35Å; N44-P327 WeakPolarHBondContact OD1-CG 3.18Å; V47-P327 HydrophobicContact CG2-CB 4.2Å; V47-P327 HydrophobicContact CG2-CG 4.28Å; P327-Y330 PolarHBondContact O-N 3.24Å; P327-A331 PolarHBondContact O-N 3.37Å |
| 328 | L | 92.3 | Very high | 90.2 | Very high | 89 Ų | 89 | 32.2 Ų | 32.2 | 47% | 0.466 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -66.2 | -41 | 179.4 | -58.3 | 177.8 | 0 | 0 | 0 | 110.9 | V39 L325 N326 A331 A332 | V39-L328 HydrophobicContact CG1-CD2 4.31Å; L325-L328 HydrophobicContact CD2-CD1 4.43Å; L325-L328 WeakPolarHBondContact O-CB 3.49Å; L325-L328 PolarHBondContact O-N 3.47Å; N326-L328 VanDerWaalsContact C-N 3.32Å; N326-L328 PolarHBondContact O-N 3.05Å; L328-A331 PolarHBondContact O-N 3.03Å; L328-A332 WeakPolarHBondContact O-CB 3.43Å; L328-A332 PolarHBondContact O-N 3.32Å |
| 329 | L | 91.3 | Very high | 89.7 | Confident | 34 Ų | 34 | 34.9 Ų | 34.9 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.1 | -36.8 | 175.9 | -64.4 | 174.4 | 0 | 0 | 0 | 111.6 | T271 L272 A275 L325 N326 A332 C333 | T271-L329 HydrophobicContact CG2-CD1 4.33Å; T271-L329 HydrophobicContact CG2-CD2 3.79Å; T271-L329 HydrophobicContact CG2-CG 4.42Å; L272-L329 HydrophobicContact CD2-CB 3.94Å; L272-L329 HydrophobicContact CD2-CD1 3.93Å; A275-L329 HydrophobicContact CB-CD1 3.47Å; A275-L329 VanDerWaalsContact CB-CD1 3.47Å; L325-L329 HydrophobicContact CB-CD1 4.34Å; L325-L329 VanDerWaalsContact O-CG 3.31Å; L325-L329 WeakPolarHBondContact O-CG 3.45Å; L325-L329 PolarHBondContact O-N 2.99Å; N326-L329 PolarHBondContact O-N 3.18Å; L329-A332 PolarHBondContact O-N 2.94Å; L329-C333 WeakPolarHBondContact O-CA 3.21Å; L329-C333 VanDerWaalsContact O-CB 3.23Å; L329-C333 WeakPolarHBondContact O-CB 3.5Å; L329-C333 PolarHBondContact O-N 2.99Å |
| 330 | Y | 88.6 | Confident | 89.2 | Confident | 3 Ų | 3 | 36.8 Ų | 36.8 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 170.9 | -65.7 | -52.7 | 0 | 0 | 0 | 111.8 | V47 I67 V268 L272 N326 P327 A332 D334 | V47-Y330 HydrophobicContact CG1-CD2 4.3Å; V47-Y330 HydrophobicContact CG1-CE2 4.09Å; V47-Y330 HydrophobicContact CG2-CD2 3.84Å; V47-Y330 HydrophobicContact CG2-CE2 4.36Å; I67-Y330 HydrophobicContact CG2-CE1 4.49Å; I67-Y330 HydrophobicContact CG2-CE2 4.24Å; V268-Y330 HydrophobicContact CG1-CD1 3.93Å; V268-Y330 HydrophobicContact CG1-CE1 3.94Å; L272-Y330 HydrophobicContact CD1-CE1 3.54Å; L272-Y330 WeakPolarHBondContact CD1-OH 3.31Å; L272-Y330 HydrophobicContact CD2-CE1 4.28Å; L272-Y330 HydrophobicContact CG-CE1 4.42Å; N326-Y330 HydrophobicContact CB-CE2 4.27Å; N326-Y330 WeakPolarHBondContact O-CD2 3.07Å; N326-Y330 PolarHBondContact O-N 2.93Å; P327-Y330 PolarHBondContact O-N 3.24Å; Y330-A332 VanDerWaalsContact C-N 3.34Å; Y330-A332 PolarHBondContact O-N 2.95Å; Y330-D334 WeakPolarHBondContact O-CA 3.5Å; Y330-D334 VanDerWaalsContact O-CB 3.3Å; Y330-D334 WeakPolarHBondContact O-CB 3.33Å; Y330-D334 PolarHBondContact O-N 3.41Å |
| 331 | A | 88.2 | Confident | 88.7 | Confident | 44 Ų | 44 | 36.3 Ų | 36.3 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.4 | -40 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | P327 L328 R338 | P327-A331 PolarHBondContact O-N 3.37Å; L328-A331 PolarHBondContact O-N 3.03Å; A331-R338 VanDerWaalsContact O-CD 3.26Å; A331-R338 WeakPolarHBondContact O-CD 3.3Å |
| 332 | A | 87.9 | Confident | 88.3 | Confident | 73 Ų | 73 | 42.7 Ų | 42.7 | 60% | 0.603 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -77.3 | -43.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L328 L329 Y330 | L328-A332 WeakPolarHBondContact O-CB 3.43Å; L328-A332 PolarHBondContact O-N 3.32Å; L329-A332 PolarHBondContact O-N 2.94Å; Y330-A332 VanDerWaalsContact C-N 3.34Å; Y330-A332 PolarHBondContact O-N 2.95Å |
| 333 | C | 83.4 | Confident | 87.7 | Confident | 36 Ų | 36 | 45.4 Ų | 45.4 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -106.7 | -14.7 | -167.2 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | V268 L329 P335 | V268-C333 HydrophobicContact CG2-CB 4.18Å; V268-C333 WeakPolarHBondContact CG2-O 3.39Å; L329-C333 WeakPolarHBondContact O-CA 3.21Å; L329-C333 VanDerWaalsContact O-CB 3.23Å; L329-C333 WeakPolarHBondContact O-CB 3.5Å; L329-C333 PolarHBondContact O-N 2.99Å; C333-P335 VanDerWaalsContact O-CD 3.25Å; C333-P335 WeakPolarHBondContact O-CD 3.48Å |
| 334 | D | 82.7 | Confident | 86.9 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | trans | -113.4 | 91.8 | 179.6 | -169.6 | 1.6 | 0 | 0 | 0 | 113 | Y51 V268 Y330 A336 F337 R338 | Y51-D334 PolarHBondContact OH-OD2 2.84Å; V268-D334 HydrophobicContact CG2-CB 3.82Å; Y330-D334 WeakPolarHBondContact O-CA 3.5Å; Y330-D334 VanDerWaalsContact O-CB 3.3Å; Y330-D334 WeakPolarHBondContact O-CB 3.33Å; Y330-D334 PolarHBondContact O-N 3.41Å; D334-A336 PolarHBondContact O-N 3.24Å; D334-A336 WeakPolarHBondContact OD1-CA 3.37Å; D334-A336 VanDerWaalsContact OD1-CB 3.29Å; D334-A336 WeakPolarHBondContact OD1-CB 3.4Å; D334-A336 PolarHBondContact OD1-N 2.94Å; D334-F337 HydrophobicContact CB-CB 3.78Å; D334-F337 WeakPolarHBondContact O-CB 3.35Å; D334-F337 PolarHBondContact O-N 2.67Å; D334-F337 VanDerWaalsContact O-N 3.11Å; D334-F337 PolarHBondContact OD1-N 3.03Å; D334-R338 PolarHBondContact O-N 3.28Å | ||
| 335 | P | 81.3 | Confident | 86.1 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 20% | 0.195 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.2 | -30.8 | 171.7 | -22.6 | 28.1 | 0 | 0 | 0 | 114.2 | C333 R338 E339 | C333-P335 VanDerWaalsContact O-CD 3.25Å; C333-P335 WeakPolarHBondContact O-CD 3.48Å; P335-R338 PolarHBondContact O-N 3.33Å; P335-E339 WeakPolarHBondContact O-CG 3.2Å; P335-E339 PolarHBondContact O-N 3.42Å |
| 336 | A | 79 | Confident | 85 | Confident | 18 Ų | 18 | 53.8 Ų | 53.8 | 15% | 0.149 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71.3 | -34.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D334 E339 R340 | D334-A336 PolarHBondContact O-N 3.24Å; D334-A336 WeakPolarHBondContact OD1-CA 3.37Å; D334-A336 VanDerWaalsContact OD1-CB 3.29Å; D334-A336 WeakPolarHBondContact OD1-CB 3.4Å; D334-A336 PolarHBondContact OD1-N 2.94Å; A336-E339 PolarHBondContact O-N 3.07Å; A336-R340 WeakPolarHBondContact O-CD 3.25Å; A336-R340 WeakPolarHBondContact O-CG 3.27Å; A336-R340 PolarHBondContact O-N 3.23Å |
| 337 | F | 84.6 | Confident | 83.7 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.2 | -46.1 | 170.7 | 175 | -110.4 | 0 | 0 | 0 | 111.4 | L46 V47 Y51 D334 E339 R340 C341 | L46-F337 HydrophobicContact CD2-CZ 4.49Å; V47-F337 HydrophobicContact CG2-CE2 3.84Å; V47-F337 HydrophobicContact CG2-CZ 3.71Å; Y51-F337 AromaticContact CE2-CD2 3.7Å; Y51-F337 HydrophobicContact CE2-CD2 3.7Å; Y51-F337 HydrophobicContact CE2-CE2 4.17Å; D334-F337 HydrophobicContact CB-CB 3.78Å; D334-F337 WeakPolarHBondContact O-CB 3.35Å; D334-F337 PolarHBondContact O-N 2.67Å; D334-F337 VanDerWaalsContact O-N 3.11Å; D334-F337 PolarHBondContact OD1-N 3.03Å; F337-E339 PolarHBondContact O-N 3.01Å; F337-R340 PolarHBondContact O-N 3.37Å; F337-C341 WeakPolarHBondContact CE2-SG 3.16Å; F337-C341 WeakPolarHBondContact CZ-SG 3.29Å; F337-C341 PolarHBondContact O-N 3.34Å; F337-C341 PolarHBondContact O-SG 2.95Å |
| 338 | R | 87.6 | Confident | 81.9 | Confident | 123 Ų | 123 | 67.6 Ų | 67.6 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 177.1 | -67 | -173 | -66.4 | -177.5 | 3.1 | 113 | A331 D334 P335 R340 C341 R342 | A331-R338 VanDerWaalsContact O-CD 3.26Å; A331-R338 WeakPolarHBondContact O-CD 3.3Å; D334-R338 PolarHBondContact O-N 3.28Å; P335-R338 PolarHBondContact O-N 3.33Å; R338-R340 VanDerWaalsContact C-N 3.34Å; R338-R340 PolarHBondContact O-N 2.64Å; R338-C341 PolarHBondContact O-N 2.92Å; R338-R342 WeakPolarHBondContact O-CG 3.35Å; R338-R342 PolarHBondContact O-N 3.33Å |
| 339 | E | 86.1 | Confident | 79.7 | Confident | 124 Ų | 124 | 70.9 Ų | 70.9 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60.5 | -43.8 | 176 | -76.2 | 168.2 | -166.8 | 0 | 0 | 111.6 | P335 A336 F337 R342 A343 | P335-E339 WeakPolarHBondContact O-CG 3.2Å; P335-E339 PolarHBondContact O-N 3.42Å; A336-E339 PolarHBondContact O-N 3.07Å; F337-E339 PolarHBondContact O-N 3.01Å; E339-R342 PolarHBondContact O-N 3.07Å; E339-A343 WeakPolarHBondContact O-CB 3.05Å; E339-A343 PolarHBondContact O-N 2.05Å |
| 340 | R | 85.1 | Confident | 79.2 | Confident | 40 Ų | 40 | 72.8 Ų | 72.8 | 15% | 0.151 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 177.1 | -67.3 | 156 | -175.4 | 179 | 37 | 112 | V50 Y51 Q54 Y64 A336 F337 R338 R342 A343 T344 | V50-R340 HydrophobicContact CG1-CB 3.77Å; Y51-R340 PolarHBondContact OH-NH1 3.35Å; Q54-R340 VanDerWaalsContact NE2-CG 3.26Å; Q54-R340 VanDerWaalsContact OE1-CZ 3.24Å; Q54-R340 VanDerWaalsContact OE1-NE 3.16Å; Y64-R340 VanDerWaalsContact OH-CZ 3.28Å; Y64-R340 PolarHBondContact OH-NH1 2.97Å; Y64-R340 PolarHBondContact OH-NH2 3.46Å; A336-R340 WeakPolarHBondContact O-CD 3.25Å; A336-R340 WeakPolarHBondContact O-CG 3.27Å; A336-R340 PolarHBondContact O-N 3.23Å; F337-R340 PolarHBondContact O-N 3.37Å; R338-R340 VanDerWaalsContact C-N 3.34Å; R338-R340 PolarHBondContact O-N 2.64Å; R340-R342 PolarHBondContact O-N 3.29Å; R340-A343 PolarHBondContact O-N 3.16Å; R340-T344 PolarHBondContact O-N 3.06Å; R340-T344 PolarHBondContact O-OG1 3.2Å |
| 341 | C | 86.1 | Confident | 78.7 | Confident | 13 Ų | 13 | 76.4 Ų | 76.4 | 9% | 0.088 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.7 | -48.7 | 175.3 | -68.1 | 0 | 0 | 0 | 0 | 110.6 | F337 R338 A343 T344 L345 | F337-C341 WeakPolarHBondContact CE2-SG 3.16Å; F337-C341 WeakPolarHBondContact CZ-SG 3.29Å; F337-C341 PolarHBondContact O-N 3.34Å; F337-C341 PolarHBondContact O-SG 2.95Å; R338-C341 PolarHBondContact O-N 2.92Å; C341-A343 PolarHBondContact O-N 3.44Å; C341-T344 PolarHBondContact O-N 3.17Å; C341-L345 WeakPolarHBondContact O-CB 3.16Å; C341-L345 VanDerWaalsContact O-CG 3.31Å; C341-L345 WeakPolarHBondContact O-CG 3.17Å; C341-L345 PolarHBondContact O-N 3.4Å |
| 342 | R | 86.6 | Confident | 78.1 | Confident | 179 Ų | 179 | 78.2 Ų | 78.2 | 68% | 0.675 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -57.9 | -48.2 | 175.5 | -72.8 | 178 | -179.4 | -172 | -1.9 | 112.1 | R338 E339 R340 T344 L345 L346 | R338-R342 WeakPolarHBondContact O-CG 3.35Å; R338-R342 PolarHBondContact O-N 3.33Å; E339-R342 PolarHBondContact O-N 3.07Å; R340-R342 PolarHBondContact O-N 3.29Å; R342-T344 PolarHBondContact O-N 2.99Å; R342-L345 PolarHBondContact O-N 3.45Å; R342-L346 WeakPolarHBondContact O-CB 3.18Å; R342-L346 VanDerWaalsContact O-CG 3.27Å; R342-L346 WeakPolarHBondContact O-CG 3.42Å; R342-L346 PolarHBondContact O-N 3.29Å |
| 343 | A | 83.2 | Confident | 77.6 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -34.6 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | E339 R340 C341 V347 | E339-A343 WeakPolarHBondContact O-CB 3.05Å; E339-A343 PolarHBondContact O-N 2.05Å; R340-A343 PolarHBondContact O-N 3.16Å; C341-A343 PolarHBondContact O-N 3.44Å; A343-V347 WeakPolarHBondContact O-CG2 3.48Å; A343-V347 PolarHBondContact O-N 3.08Å |
| 344 | T | 79.1 | Confident | 77.2 | Confident | 18 Ų | 18 | 81.2 Ų | 81.2 | 11% | 0.11 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -80.9 | -31.9 | -179.5 | -30.9 | 0 | 0 | 0 | 0 | 112.2 | W49 R340 C341 R342 V347 | W49-T344 HydrophobicContact CE3-CG2 4.04Å; W49-T344 HydrophobicContact CH2-CG2 3.07Å; W49-T344 HydrophobicContact CZ2-CG2 3.64Å; W49-T344 HydrophobicContact CZ3-CG2 3.28Å; R340-T344 PolarHBondContact O-N 3.06Å; R340-T344 PolarHBondContact O-OG1 3.2Å; C341-T344 PolarHBondContact O-N 3.17Å; R342-T344 PolarHBondContact O-N 2.99Å; T344-V347 PolarHBondContact O-N 3Å |
| 345 | L | 77.1 | Confident | 76.8 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.8 | -36.9 | 172.3 | -69.9 | 169.6 | 0 | 0 | 0 | 112.2 | C341 R342 V347 W348 C349 | C341-L345 WeakPolarHBondContact O-CB 3.16Å; C341-L345 VanDerWaalsContact O-CG 3.31Å; C341-L345 WeakPolarHBondContact O-CG 3.17Å; C341-L345 PolarHBondContact O-N 3.4Å; R342-L345 PolarHBondContact O-N 3.45Å; L345-V347 PolarHBondContact O-N 2.95Å; L345-W348 WeakPolarHBondContact O-CB 3.37Å; L345-W348 PolarHBondContact O-N 3.22Å; L345-C349 PolarHBondContact O-N 3.41Å |
| 346 | L | 71.8 | Confident | 76.5 | Confident | 123 Ų | 123 | 90.4 Ų | 90.4 | 64% | 0.644 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -12.6 | 176 | -72.8 | 170.7 | 0 | 0 | 0 | 114.3 | R342 W348 C349 | R342-L346 WeakPolarHBondContact O-CB 3.18Å; R342-L346 VanDerWaalsContact O-CG 3.27Å; R342-L346 WeakPolarHBondContact O-CG 3.42Å; R342-L346 PolarHBondContact O-N 3.29Å; L346-W348 VanDerWaalsContact C-N 3.28Å; L346-C349 VanDerWaalsContact O-OXT 3.07Å |
| 347 | V | 63.8 | Low | 76.3 | Confident | 114 Ų | 114 | 96 Ų | 96 | 69% | 0.691 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -12.6 | 170.6 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | A343 T344 L345 | A343-V347 WeakPolarHBondContact O-CG2 3.48Å; A343-V347 PolarHBondContact O-N 3.08Å; T344-V347 PolarHBondContact O-N 3Å; L345-V347 PolarHBondContact O-N 2.95Å |
| 348 | W | 54.6 | Low | 75.6 | Confident | 188 Ų | 188 | 103.2 Ų | 103.2 | 71% | 0.712 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -24.3 | 178.6 | -83.1 | 67 | 0 | 0 | 0 | 113.8 | W49 L345 L346 | W49-W348 AromaticContact CH2-NE1 3.66Å; W49-W348 AromaticContact CZ2-NE1 3.56Å; L345-W348 WeakPolarHBondContact O-CB 3.37Å; L345-W348 PolarHBondContact O-N 3.22Å; L346-W348 VanDerWaalsContact C-N 3.28Å |
| 349 | C | 46.6 | Very low | 74.6 | Confident | 159 Ų | 159 | 101.4 Ų | 101.4 | 100% | 1.074 | 52% | 0.52 | S | S | * | . | trans | -88.2 | 0 | 167.1 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | L345 L346 | L345-C349 PolarHBondContact O-N 3.41Å; L346-C349 VanDerWaalsContact O-OXT 3.07Å |
Retrieved 349 of 349 residues in 199.4 ms
(Link to these results)