| 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 | 38.9 | Very low | 35.2 | Very low | 256 Ų | 256 | 135.3 Ų | 135.3 | 100% | 1.261 | 85% | 0.854 | S | S | * | * | 0 | 135 | 0 | -68.3 | -158.5 | -146.4 | 0 | 0 | 108.1 | |||||
| 2 | G | 35.9 | Very low | 35.6 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 86% | 0.856 | 85% | 0.854 | S | S | * | * | trans | 121.9 | 65.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 3 | G | 31.6 | Very low | 36.1 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 86% | 0.856 | 83% | 0.833 | S | S | * | * | trans | -77.3 | 137.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 4 | S | 34.9 | Very low | 36.6 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 84% | 0.84 | S | S | * | * | trans | -114.3 | 106.5 | 169.5 | 172.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 5 | A | 36.5 | Very low | 37.4 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | -67.4 | 127.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | N7 | A5-N7 PolarHBondContact O-N 3.26Š| ||
| 6 | L | 37.2 | Very low | 38.4 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | trans | -73.3 | 116.4 | 163.7 | -77.3 | 160.4 | 0 | 0 | 0 | 107.9 | Q8 | L6-Q8 PolarHBondContact O-N 2.77Š| ||
| 7 | N | 32.4 | Very low | 39 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -76 | 90 | 179.1 | -153 | 16.9 | 0 | 0 | 0 | 109.1 | A5 G9 | A5-N7 PolarHBondContact O-N 3.26Å; N7-G9 PolarHBondContact O-N 3.31Å | ||
| 8 | Q | 33.9 | Very low | 40.7 | Very low | 172 Ų | 172 | 127.5 Ų | 127.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -76.2 | 93.4 | 161.8 | -79.3 | -178.1 | -8.1 | 0 | 0 | 107.8 | L6 V10 | L6-Q8 PolarHBondContact O-N 2.77Å; Q8-V10 VanDerWaalsContact C-N 3.29Å; Q8-V10 PolarHBondContact O-N 3.34Å | ||
| 9 | G | 29.8 | Very low | 42.5 | Very low | 66 Ų | 66 | 125.2 Ų | 125.2 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | -73.6 | 85.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | N7 L11 | N7-G9 PolarHBondContact O-N 3.31Å; G9-L11 PolarHBondContact O-N 3.21Å | ||
| 10 | V | 36.8 | Very low | 44.8 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 62% | 0.624 | 76% | 0.76 | S | S | * | * | trans | -65 | 118.8 | 163 | -179.5 | 0 | 0 | 0 | 0 | 106.9 | Q8 E12 | Q8-V10 VanDerWaalsContact C-N 3.29Å; Q8-V10 PolarHBondContact O-N 3.34Å; V10-E12 HydrophobicContact CG1-CG 3.9Å; V10-E12 PolarHBondContact O-N 3.3Å | ||
| 11 | L | 39.4 | Very low | 47 | Very low | 178 Ų | 178 | 118.2 Ų | 118.2 | 93% | 0.932 | 74% | 0.742 | S | S | * | * | trans | -76.3 | 78.3 | 169.1 | -66.1 | 172.4 | 0 | 0 | 0 | 108.3 | G9 G13 | G9-L11 PolarHBondContact O-N 3.21Å; L11-G13 PolarHBondContact O-N 3.26Å | ||
| 12 | E | 40.3 | Very low | 49.6 | Very low | 183 Ų | 183 | 106.7 Ų | 106.7 | 86% | 0.855 | 68% | 0.684 | S | S | * | * | trans | -83 | 101.5 | 160.3 | -86.1 | 175.5 | -175.3 | 0 | 0 | 107.4 | V10 | V10-E12 HydrophobicContact CG1-CG 3.9Å; V10-E12 PolarHBondContact O-N 3.3Å | ||
| 13 | G | 41.3 | Very low | 52.3 | Low | 56 Ų | 56 | 106.9 Ų | 106.9 | 58% | 0.577 | 66% | 0.663 | S | S | * | * | trans | -117.8 | 131.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L11 D15 | L11-G13 PolarHBondContact O-N 3.26Å; G13-D15 PolarHBondContact O-N 3.04Å; G13-D15 VanDerWaalsContact O-N 3.14Å | ||
| 14 | D | 44.2 | Very low | 55.2 | Low | 174 Ų | 174 | 108.2 Ų | 108.2 | 93% | 0.93 | 64% | 0.642 | S | S | * | * | trans | -23.3 | 102.5 | 178.1 | -83.9 | -36.7 | 0 | 0 | 0 | 115.2 | A16 | D14-A16 PolarHBondContact O-N 3.08Š| ||
| 15 | D | 48.2 | Very low | 57.9 | Low | 120 Ų | 120 | 103.8 Ų | 103.8 | 64% | 0.642 | 61% | 0.609 | S | S | * | * | trans | -80.7 | 103.5 | 171.1 | -83.7 | -39.9 | 0 | 0 | 0 | 109.8 | G13 P17 R24 | G13-D15 PolarHBondContact O-N 3.04Å; G13-D15 VanDerWaalsContact O-N 3.14Å; D15-P17 WeakPolarHBondContact O-CD 3.08Å; D15-R24 IonicContact OD1-NH1 2.69Å; D15-R24 PolarHBondContact OD1-NH1 3.13Å | ||
| 16 | A | 52.6 | Low | 60.7 | Low | 55 Ų | 55 | 99.8 Ų | 99.8 | 46% | 0.455 | 58% | 0.576 | S | S | . | * | trans | -66.8 | 122 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | D14 G18 | D14-A16 PolarHBondContact O-N 3.08Å; A16-G18 PolarHBondContact O-N 3.5Å | ||
| 17 | P | 49.9 | Very low | 63.4 | Low | 135 Ų | 135 | 97.9 Ų | 97.9 | 88% | 0.877 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 122.4 | -174.2 | 23 | -30.7 | 0 | 0 | 0 | 111.2 | D15 | D15-P17 WeakPolarHBondContact O-CD 3.08Š|
| 18 | G | 68.8 | Low | 66.3 | Low | 84 Ų | 84 | 98 Ų | 98 | 87% | 0.866 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.5 | 0.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | A16 | A16-G18 PolarHBondContact O-N 3.5Š|
| 19 | Q | 75.6 | Confident | 69.4 | Low | 84 Ų | 84 | 90.4 Ų | 90.4 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | trans | -82.2 | 137.6 | 176.8 | -73.6 | -177.7 | 8.5 | 0 | 0 | 112.7 | E23 R24 Q27 | Q19-E23 VanDerWaalsContact CA-OE2 3.31Å; Q19-E23 WeakPolarHBondContact CA-OE2 3.35Å; Q19-R24 HydrophobicContact CB-CG 4.25Å; Q19-Q27 VanDerWaalsContact OE1-NE2 3.08Å | ||
| 20 | S | 87.3 | Confident | 72.6 | Confident | 29 Ų | 29 | 92.8 Ų | 92.8 | 20% | 0.203 | 51% | 0.512 | C | S | . | . | trans | -67.5 | 160.1 | 177.6 | 110.5 | 0 | 0 | 0 | 0 | 111.8 | Y22 E23 R24 E66 | S20-Y22 VanDerWaalsContact C-N 3.32Å; S20-Y22 PolarHBondContact O-N 3.23Å; S20-Y22 PolarHBondContact OG-N 3.49Å; S20-E23 PolarHBondContact N-OE2 3.44Å; S20-E23 PolarHBondContact O-N 3.22Å; S20-E23 WeakPolarHBondContact OG-CG 3.48Å; S20-E23 PolarHBondContact OG-N 3.29Å; S20-R24 PolarHBondContact O-N 3.3Å; S20-R24 VanDerWaalsContact O-N 3.12Å; S20-E66 WeakPolarHBondContact CB-OE1 3.26Å; S20-E66 PolarHBondContact OG-OE1 2.9Å; S20-E66 PolarHBondContact OG-OE2 3.36Å | ||
| 21 | L | 90.6 | Very high | 75.5 | Confident | 75 Ų | 75 | 90 Ų | 90 | 39% | 0.393 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.8 | 175.9 | 66.4 | 0 | 0 | 0 | 110.6 | E23 R24 L25 E66 | L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 2.95Å; L21-R24 PolarHBondContact O-N 3.27Å; L21-L25 HydrophobicContact CG-CD1 4.36Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 3.44Å; L21-E66 WeakPolarHBondContact CA-OE1 3.34Å; L21-E66 HydrophobicContact CB-CG 4.41Å; L21-E66 WeakPolarHBondContact CB-OE1 3.37Å; L21-E66 PolarHBondContact N-OE1 3.19Å |
| 22 | Y | 94.1 | Very high | 78.3 | Confident | 13 Ų | 13 | 84 Ų | 84 | 5% | 0.051 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68.5 | -31.2 | 179.6 | -71.8 | 2.9 | 0 | 0 | 0 | 111.9 | S20 L25 S26 Y64 L65 E66 L111 T132 L134 | S20-Y22 VanDerWaalsContact C-N 3.32Å; S20-Y22 PolarHBondContact O-N 3.23Å; S20-Y22 PolarHBondContact OG-N 3.49Å; Y22-L25 HydrophobicContact CD1-CD1 4Å; Y22-L25 HydrophobicContact CE1-CD1 4.49Å; Y22-L25 PolarHBondContact O-N 3.31Å; Y22-S26 VanDerWaalsContact O-CB 3.27Å; Y22-S26 WeakPolarHBondContact O-CB 3.39Å; Y22-S26 PolarHBondContact O-N 3.47Å; Y22-Y64 PolarHBondContact OH-O 2.94Å; Y22-Y64 VanDerWaalsContact OH-O 3.1Å; Y22-L65 VanDerWaalsContact OH-C 3.24Å; Y22-L65 PolarHBondContact OH-O 3.42Å; Y22-E66 HydrophobicContact CD1-CB 4.49Å; Y22-E66 HydrophobicContact CD1-CG 3.97Å; Y22-E66 HydrophobicContact CD2-CB 3.88Å; Y22-E66 HydrophobicContact CD2-CG 4.07Å; Y22-E66 HydrophobicContact CE1-CB 4.32Å; Y22-E66 HydrophobicContact CE1-CG 4.12Å; Y22-E66 HydrophobicContact CE2-CB 3.7Å; Y22-E66 HydrophobicContact CE2-CG 4.22Å; Y22-E66 HydrophobicContact CG-CB 4.29Å; Y22-E66 HydrophobicContact CG-CG 3.95Å; Y22-E66 PolarHBondContact N-OE1 3.04Å; Y22-E66 PolarHBondContact OH-N 3.35Å; Y22-L111 HydrophobicContact CD1-CD2 4.16Å; Y22-L111 HydrophobicContact CD2-CD2 3.78Å; Y22-L111 HydrophobicContact CE2-CD2 4.2Å; Y22-L111 HydrophobicContact CG-CD2 3.75Å; Y22-L111 WeakPolarHBondContact O-CD1 3.39Å; Y22-T132 HydrophobicContact CD2-CG2 4.17Å; Y22-L134 HydrophobicContact CE1-CB 4.01Å; Y22-L134 HydrophobicContact CE1-CD1 3.99Å; Y22-L134 HydrophobicContact CE2-CB 3.99Å; Y22-L134 VanDerWaalsContact OH-CB 3.31Å; Y22-L134 WeakPolarHBondContact OH-CB 3.25Å |
| 23 | E | 92.7 | Very high | 81 | Confident | 88 Ų | 88 | 77 Ų | 77 | 41% | 0.411 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 171.3 | -74 | 173.8 | 169.5 | 0 | 0 | 111.8 | Q19 S20 L21 L25 S26 Q27 | Q19-E23 VanDerWaalsContact CA-OE2 3.31Å; Q19-E23 WeakPolarHBondContact CA-OE2 3.35Å; S20-E23 PolarHBondContact N-OE2 3.44Å; S20-E23 PolarHBondContact O-N 3.22Å; S20-E23 WeakPolarHBondContact OG-CG 3.48Å; S20-E23 PolarHBondContact OG-N 3.29Å; L21-E23 VanDerWaalsContact C-N 3.32Å; L21-E23 PolarHBondContact O-N 2.95Å; E23-L25 PolarHBondContact O-N 2.87Å; E23-S26 WeakPolarHBondContact O-CB 3.46Å; E23-S26 PolarHBondContact O-N 3.28Å; E23-S26 VanDerWaalsContact O-N 3.16Å; E23-S26 PolarHBondContact O-OG 3.04Å; E23-Q27 PolarHBondContact O-N 2.93Å |
| 24 | R | 92.3 | Very high | 83.6 | Confident | 110 Ų | 110 | 77.6 Ų | 77.6 | 42% | 0.415 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 175.7 | -69.5 | -172.9 | -68.1 | 177.1 | -0 | 112 | D15 Q19 S20 L21 S26 Q27 | D15-R24 IonicContact OD1-NH1 2.69Å; D15-R24 PolarHBondContact OD1-NH1 3.13Å; Q19-R24 HydrophobicContact CB-CG 4.25Å; S20-R24 PolarHBondContact O-N 3.3Å; S20-R24 VanDerWaalsContact O-N 3.12Å; L21-R24 PolarHBondContact O-N 3.27Å; R24-S26 VanDerWaalsContact C-N 3.32Å; R24-S26 PolarHBondContact O-N 3.23Å; R24-Q27 PolarHBondContact O-N 2.97Å |
| 25 | L | 92.8 | Very high | 86.1 | Confident | 27 Ų | 27 | 73.6 Ų | 73.6 | 14% | 0.141 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -58.5 | -45.9 | 173 | -71.5 | 177 | 0 | 0 | 0 | 111 | L21 Y22 E23 Q27 R28 M29 L111 L134 | L21-L25 HydrophobicContact CG-CD1 4.36Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 3.44Å; Y22-L25 HydrophobicContact CD1-CD1 4Å; Y22-L25 HydrophobicContact CE1-CD1 4.49Å; Y22-L25 PolarHBondContact O-N 3.31Å; E23-L25 PolarHBondContact O-N 2.87Å; L25-Q27 PolarHBondContact O-N 3.46Å; L25-Q27 VanDerWaalsContact O-N 3.07Å; L25-R28 VanDerWaalsContact O-CG 3.23Å; L25-R28 WeakPolarHBondContact O-CG 3.48Å; L25-R28 PolarHBondContact O-N 3.4Å; L25-M29 HydrophobicContact CB-SD 4.4Å; L25-M29 VanDerWaalsContact O-CG 3.29Å; L25-M29 WeakPolarHBondContact O-CG 3.41Å; L25-L111 HydrophobicContact CB-CD1 4.13Å; L25-L134 HydrophobicContact CD1-CD1 3.97Å |
| 26 | S | 94.3 | Very high | 88.4 | Confident | 12 Ų | 12 | 72.7 Ų | 72.7 | 8% | 0.084 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.9 | -25.9 | -175.1 | 80.6 | 0 | 0 | 0 | 0 | 114.5 | Y22 E23 R24 R28 M29 R36 L39 | Y22-S26 VanDerWaalsContact O-CB 3.27Å; Y22-S26 WeakPolarHBondContact O-CB 3.39Å; Y22-S26 PolarHBondContact O-N 3.47Å; E23-S26 WeakPolarHBondContact O-CB 3.46Å; E23-S26 PolarHBondContact O-N 3.28Å; E23-S26 VanDerWaalsContact O-N 3.16Å; E23-S26 PolarHBondContact O-OG 3.04Å; R24-S26 VanDerWaalsContact C-N 3.32Å; R24-S26 PolarHBondContact O-N 3.23Å; S26-R28 VanDerWaalsContact C-N 3.3Å; S26-R28 PolarHBondContact O-N 3.49Å; S26-M29 PolarHBondContact O-N 2.89Å; S26-R36 PolarHBondContact O-NH1 2.88Å; S26-R36 VanDerWaalsContact O-NH1 3.15Å; S26-R36 PolarHBondContact O-NH2 3.38Å; S26-L39 VanDerWaalsContact CB-CD1 3.42Å |
| 27 | Q | 93.9 | Very high | 90.6 | Very high | 128 Ų | 128 | 70.3 Ų | 70.3 | 60% | 0.598 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.2 | -28.7 | -177.3 | -69.5 | 170.6 | 5.1 | 0 | 0 | 112.8 | Q19 E23 R24 L25 | Q19-Q27 VanDerWaalsContact OE1-NE2 3.08Å; E23-Q27 PolarHBondContact O-N 2.93Å; R24-Q27 PolarHBondContact O-N 2.97Å; L25-Q27 PolarHBondContact O-N 3.46Å; L25-Q27 VanDerWaalsContact O-N 3.07Å |
| 28 | R | 94 | Very high | 92.9 | Very high | 166 Ų | 166 | 63.9 Ų | 63.9 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -101.9 | -3.1 | -179.2 | 63.8 | 177.2 | -169.8 | -140.4 | 9.8 | 114.2 | L25 S26 | L25-R28 VanDerWaalsContact O-CG 3.23Å; L25-R28 WeakPolarHBondContact O-CG 3.48Å; L25-R28 PolarHBondContact O-N 3.4Å; S26-R28 VanDerWaalsContact C-N 3.3Å; S26-R28 PolarHBondContact O-N 3.49Å |
| 29 | M | 97.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 59.9 Ų | 59.9 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -89.2 | 143.4 | -177.5 | -64.7 | -178.1 | 80.7 | 0 | 0 | 111.6 | L25 S26 L39 K40 D41 R109 L111 | L25-M29 HydrophobicContact CB-SD 4.4Å; L25-M29 VanDerWaalsContact O-CG 3.29Å; L25-M29 WeakPolarHBondContact O-CG 3.41Å; S26-M29 PolarHBondContact O-N 2.89Å; M29-L39 HydrophobicContact CB-CB 3.71Å; M29-L39 HydrophobicContact CE-CB 4.31Å; M29-L39 WeakPolarHBondContact CE-O 3.38Å; M29-L39 HydrophobicContact SD-CB 4.21Å; M29-K40 CarbonylContact C-O 3.54Å; M29-K40 WeakPolarHBondContact CA-O 3.47Å; M29-K40 WeakPolarHBondContact CB-O 3.28Å; M29-D41 HydrophobicContact CE-CB 3.78Å; M29-D41 HydrophobicContact CG-CB 4.04Å; M29-R109 HydrophobicContact CE-CB 4.41Å; M29-R109 WeakPolarHBondContact CE-O 3.42Å; M29-L111 HydrophobicContact CE-CB 4.5Å; M29-L111 HydrophobicContact CE-CG 4.21Å; M29-L111 HydrophobicContact SD-CB 4.31Å; M29-L111 HydrophobicContact SD-CD1 3.53Å; M29-L111 VanDerWaalsContact SD-CD1 3.53Å; M29-L111 HydrophobicContact SD-CG 3.72Å |
| 30 | L | 97.9 | Very high | 95.4 | Very high | 116 Ų | 116 | 56.6 Ų | 56.6 | 61% | 0.607 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127.9 | 175.1 | 177.8 | 65.3 | 0 | 0 | 0 | 110.3 | I32 L39 K40 | L30-I32 HydrophobicContact CD2-CG2 4Å; L30-I32 HydrophobicContact CG-CG2 4.03Å; L30-I32 PolarHBondContact O-N 3.14Å; L30-L39 CarbonylContact O-C 3.49Å; L30-L39 VanDerWaalsContact O-CA 3.3Å; L30-L39 WeakPolarHBondContact O-CA 3.38Å; L30-K40 PolarHBondContact N-O 3.3Å; L30-K40 PolarHBondContact O-N 2.97Å |
| 31 | D | 98 | Very high | 95.9 | Very high | 45 Ų | 45 | 57.3 Ų | 57.3 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 114 | 171.1 | -177.1 | 4.9 | 0 | 0 | 0 | 110.3 | S33 G34 D35 R36 L39 | D31-S33 PolarHBondContact OD1-N 3.41Å; D31-S33 VanDerWaalsContact OD1-N 3.13Å; D31-S33 PolarHBondContact OD1-OG 3.25Å; D31-G34 PolarHBondContact OD1-N 3.04Å; D31-G34 VanDerWaalsContact OD2-C 3.28Å; D31-G34 WeakPolarHBondContact OD2-CA 3.25Å; D31-D35 PolarHBondContact OD2-N 2.86Å; D31-R36 PolarHBondContact OD1-N 3Å; D31-R36 WeakPolarHBondContact OD2-CA 3.47Å; D31-R36 PolarHBondContact OD2-N 3.37Å; D31-L39 HydrophobicContact CB-CD2 3.86Å |
| 32 | I | 97.5 | Very high | 96.3 | Very high | 52 Ų | 52 | 56.1 Ų | 56.1 | 27% | 0.267 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -102.6 | -12.2 | -179.2 | 65.1 | 166.1 | 0 | 0 | 0 | 113.1 | L30 V38 K40 F110 | L30-I32 HydrophobicContact CD2-CG2 4Å; L30-I32 HydrophobicContact CG-CG2 4.03Å; L30-I32 PolarHBondContact O-N 3.14Å; I32-V38 HydrophobicContact CD1-CB 4.43Å; I32-V38 HydrophobicContact CD1-CG1 3.58Å; I32-V38 HydrophobicContact CG1-CB 3.9Å; I32-V38 HydrophobicContact CG1-CG1 3.54Å; I32-V38 WeakPolarHBondContact CG1-O 3.45Å; I32-V38 PolarHBondContact N-O 3.47Å; I32-K40 HydrophobicContact CG2-CB 3.95Å; I32-K40 HydrophobicContact CG2-CD 4.22Å; I32-F110 HydrophobicContact CD1-CD1 4.39Å; I32-F110 HydrophobicContact CD1-CE1 4.03Å |
| 33 | S | 96.8 | Very high | 96.4 | Very high | 36 Ų | 36 | 59.1 Ų | 59.1 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -94.4 | -19.8 | 174.5 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | D31 D35 G37 V38 | D31-S33 PolarHBondContact OD1-N 3.41Å; D31-S33 VanDerWaalsContact OD1-N 3.13Å; D31-S33 PolarHBondContact OD1-OG 3.25Å; S33-D35 VanDerWaalsContact C-N 3.26Å; S33-D35 VanDerWaalsContact CB-OD1 3.25Å; S33-D35 WeakPolarHBondContact CB-OD1 3.39Å; S33-D35 PolarHBondContact O-N 3.24Å; S33-D35 PolarHBondContact OG-OD1 3.04Å; S33-G37 PolarHBondContact OG-N 3.33Å; S33-V38 PolarHBondContact OG-N 3.42Å |
| 34 | G | 96.5 | Very high | 96.7 | Very high | 67 Ų | 67 | 60.2 Ų | 60.2 | 69% | 0.691 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 84.8 | -5.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D31 | D31-G34 PolarHBondContact OD1-N 3.04Å; D31-G34 VanDerWaalsContact OD2-C 3.28Å; D31-G34 WeakPolarHBondContact OD2-CA 3.25Å |
| 35 | D | 97.1 | Very high | 97 | Very high | 91 Ų | 91 | 61.5 Ų | 61.5 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -119.1 | 14.2 | 178.3 | 74.4 | -23 | 0 | 0 | 0 | 112.4 | D31 S33 G37 Y116 | D31-D35 PolarHBondContact OD2-N 2.86Å; S33-D35 VanDerWaalsContact C-N 3.26Å; S33-D35 VanDerWaalsContact CB-OD1 3.25Å; S33-D35 WeakPolarHBondContact CB-OD1 3.39Å; S33-D35 PolarHBondContact O-N 3.24Å; S33-D35 PolarHBondContact OG-OD1 3.04Å; D35-G37 PolarHBondContact O-N 3.14Å; D35-G37 WeakPolarHBondContact OD1-CA 3.4Å; D35-G37 PolarHBondContact OD1-N 2.89Å; D35-Y116 PolarHBondContact OD1-OH 3.03Å; D35-Y116 WeakPolarHBondContact OD2-CE2 3.32Å; D35-Y116 PolarHBondContact OD2-OH 3.45Å |
| 36 | R | 96.9 | Very high | 97.2 | Very high | 101 Ų | 101 | 61 Ų | 61 | 38% | 0.381 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 62.1 | 14.8 | -174.4 | -58.2 | -79.4 | -65.6 | 160.6 | 3.5 | 114.3 | S26 D31 L39 K113 | S26-R36 PolarHBondContact O-NH1 2.88Å; S26-R36 VanDerWaalsContact O-NH1 3.15Å; S26-R36 PolarHBondContact O-NH2 3.38Å; D31-R36 PolarHBondContact OD1-N 3Å; D31-R36 WeakPolarHBondContact OD2-CA 3.47Å; D31-R36 PolarHBondContact OD2-N 3.37Å; R36-L39 HydrophobicContact CB-CD2 4.4Å; R36-L39 VanDerWaalsContact NH1-CD2 3.34Å; R36-K113 WeakPolarHBondContact O-CG 3.42Å |
| 37 | G | 97.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 63.8 Ų | 63.8 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -76.1 | -35.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S33 D35 K113 | S33-G37 PolarHBondContact OG-N 3.33Å; D35-G37 PolarHBondContact O-N 3.14Å; D35-G37 WeakPolarHBondContact OD1-CA 3.4Å; D35-G37 PolarHBondContact OD1-N 2.89Å; G37-K113 WeakPolarHBondContact O-CB 3.48Å; G37-K113 PolarHBondContact O-N 3.16Å |
| 38 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.6 | 177.7 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | I32 S33 L97 F110 F112 Y116 | I32-V38 HydrophobicContact CD1-CB 4.43Å; I32-V38 HydrophobicContact CD1-CG1 3.58Å; I32-V38 HydrophobicContact CG1-CB 3.9Å; I32-V38 HydrophobicContact CG1-CG1 3.54Å; I32-V38 WeakPolarHBondContact CG1-O 3.45Å; I32-V38 PolarHBondContact N-O 3.47Å; S33-V38 PolarHBondContact OG-N 3.42Å; V38-L97 HydrophobicContact CG2-CD1 4.17Å; V38-F110 HydrophobicContact CG1-CD1 4.43Å; V38-F112 HydrophobicContact CG1-CD1 3.83Å; V38-F112 HydrophobicContact CG1-CE1 3.76Å; V38-F112 HydrophobicContact CG2-CD1 4.39Å; V38-Y116 HydrophobicContact CG2-CD1 3.55Å; V38-Y116 HydrophobicContact CG2-CD2 4.13Å; V38-Y116 HydrophobicContact CG2-CE1 4.1Å; V38-Y116 HydrophobicContact CG2-CG 3.56Å |
| 39 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 141.4 | -178.8 | -51.7 | 177.4 | 0 | 0 | 0 | 110.1 | S26 M29 L30 D31 R36 F110 L111 | S26-L39 VanDerWaalsContact CB-CD1 3.42Å; M29-L39 HydrophobicContact CB-CB 3.71Å; M29-L39 HydrophobicContact CE-CB 4.31Å; M29-L39 WeakPolarHBondContact CE-O 3.38Å; M29-L39 HydrophobicContact SD-CB 4.21Å; L30-L39 CarbonylContact O-C 3.49Å; L30-L39 VanDerWaalsContact O-CA 3.3Å; L30-L39 WeakPolarHBondContact O-CA 3.38Å; D31-L39 HydrophobicContact CB-CD2 3.86Å; R36-L39 HydrophobicContact CB-CD2 4.4Å; R36-L39 VanDerWaalsContact NH1-CD2 3.34Å; L39-F110 CarbonylContact O-C 3.44Å; L39-F110 WeakPolarHBondContact O-CA 3.08Å; L39-L111 HydrophobicContact CB-CB 4.26Å; L39-L111 PolarHBondContact N-O 3.45Å; L39-L111 PolarHBondContact O-N 3.41Å |
| 40 | K | 98.5 | Very high | 97.3 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 7% | 0.065 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.3 | -174 | -178.4 | -179.9 | -176 | 178.9 | 0 | 112.1 | M29 L30 I32 V42 S101 E106 A108 R109 F110 | M29-K40 CarbonylContact C-O 3.54Å; M29-K40 WeakPolarHBondContact CA-O 3.47Å; M29-K40 WeakPolarHBondContact CB-O 3.28Å; L30-K40 PolarHBondContact N-O 3.3Å; L30-K40 PolarHBondContact O-N 2.97Å; I32-K40 HydrophobicContact CG2-CB 3.95Å; I32-K40 HydrophobicContact CG2-CD 4.22Å; K40-V42 HydrophobicContact CD-CG2 4.46Å; K40-S101 WeakPolarHBondContact CD-OG 3.14Å; K40-S101 PolarHBondContact NZ-O 3.45Å; K40-S101 PolarHBondContact NZ-OG 3.29Å; K40-E106 WeakPolarHBondContact CE-OE1 3.38Å; K40-E106 IonicContact NZ-OE1 2.7Å; K40-E106 PolarHBondContact NZ-OE1 2.96Å; K40-E106 IonicContact NZ-OE2 3.6Å; K40-A108 HydrophobicContact CG-CB 4.41Å; K40-R109 CarbonylContact C-O 3.57Å; K40-R109 WeakPolarHBondContact CA-O 3.4Å; K40-F110 HydrophobicContact CB-CD1 3.91Å; K40-F110 HydrophobicContact CB-CE1 3.77Å; K40-F110 HydrophobicContact CD-CE1 3.67Å; K40-F110 HydrophobicContact CD-CZ 4.01Å; K40-F110 HydrophobicContact CG-CD1 4.04Å; K40-F110 HydrophobicContact CG-CE1 3.5Å; K40-F110 VanDerWaalsContact CG-CE1 3.5Å; K40-F110 HydrophobicContact CG-CZ 3.95Å |
| 41 | D | 98.3 | Very high | 97.2 | Very high | 45 Ų | 45 | 56.5 Ų | 56.5 | 24% | 0.241 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 119.7 | 169.3 | -172.4 | 20.2 | 0 | 0 | 0 | 108.9 | M29 I43 A108 R109 | M29-D41 HydrophobicContact CE-CB 3.78Å; M29-D41 HydrophobicContact CG-CB 4.04Å; D41-I43 PolarHBondContact O-N 3.46Å; D41-A108 CarbonylContact O-C 3.43Å; D41-A108 VanDerWaalsContact O-CA 3.28Å; D41-A108 WeakPolarHBondContact O-CA 3.38Å; D41-A108 WeakPolarHBondContact O-CB 3.49Å; D41-R109 HydrophobicContact CB-CB 4.16Å; D41-R109 PolarHBondContact N-O 3.34Å; D41-R109 PolarHBondContact O-N 3.45Å |
| 42 | V | 98.3 | Very high | 96.9 | Very high | 50 Ų | 50 | 55.6 Ų | 55.6 | 30% | 0.303 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.9 | -179 | 179.9 | 0 | 0 | 0 | 0 | 109 | K40 E45 E106 | K40-V42 HydrophobicContact CD-CG2 4.46Å; V42-E45 HydrophobicContact CG1-CG 4.33Å; V42-E106 HydrophobicContact CG1-CG 4.2Å |
| 43 | I | 98.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -41.4 | 175.9 | -60 | 163.4 | 0 | 0 | 0 | 110.2 | D41 L107 R109 | D41-I43 PolarHBondContact O-N 3.46Å; I43-L107 WeakPolarHBondContact CA-O 3.43Å; I43-L107 HydrophobicContact CB-CD2 4.2Å; I43-L107 HydrophobicContact CB-CG 4.09Å; I43-L107 WeakPolarHBondContact CB-O 3.49Å; I43-L107 HydrophobicContact CD1-CD2 4.29Å; I43-L107 HydrophobicContact CD1-CG 4.04Å; I43-L107 HydrophobicContact CG2-CD2 3.98Å; I43-L107 HydrophobicContact CG2-CG 4.43Å; I43-L107 PolarHBondContact N-O 3.29Å; I43-R109 HydrophobicContact CD1-CB 4.42Å; I43-R109 HydrophobicContact CD1-CG 3.7Å; I43-R109 HydrophobicContact CG1-CG 4.42Å |
| 44 | R | 98.3 | Very high | 96.1 | Very high | 112 Ų | 112 | 59.7 Ų | 59.7 | 42% | 0.423 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 124.2 | 177.7 | -171.9 | -180 | 67.3 | -148.5 | -0.6 | 109.2 | G105 E106 L107 E138 | R44-G105 PolarHBondContact NE-O 3.24Å; R44-G105 PolarHBondContact NH2-O 2.88Å; R44-E106 CarbonylContact O-C 3.4Å; R44-E106 VanDerWaalsContact O-CA 3.3Å; R44-E106 WeakPolarHBondContact O-CA 3.2Å; R44-E106 VanDerWaalsContact O-CG 3.31Å; R44-E106 WeakPolarHBondContact O-CG 3.35Å; R44-L107 HydrophobicContact CB-CB 3.94Å; R44-L107 PolarHBondContact N-O 3.05Å; R44-L107 PolarHBondContact O-N 2.88Å; R44-E138 IonicContact CZ-OE1 2.97Å; R44-E138 IonicContact NH1-OE1 2.77Å; R44-E138 IonicContact NH2-OE1 3.87Å; R44-E138 PolarHBondContact NH2-OE1 3.48Å |
| 45 | E | 98.1 | Very high | 95.9 | Very high | 137 Ų | 137 | 56.5 Ų | 56.5 | 64% | 0.64 | 32% | 0.317 | S | S | * | . | trans | -61.8 | 141.2 | 176.5 | -68.9 | -64.1 | 163.8 | 0 | 0 | 112 | V42 | V42-E45 HydrophobicContact CG1-CG 4.33Š| ||
| 46 | G | 97.1 | Very high | 95.7 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 18% | 0.175 | 30% | 0.298 | C | S | . | . | trans | -94.6 | -178.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112 | R104 | G46-R104 CarbonylContact C-O 3.53Å; G46-R104 WeakPolarHBondContact CA-O 3.48Å | ||
| 47 | A | 96.1 | Very high | 95.7 | Very high | 69 Ų | 69 | 48 Ų | 48 | 57% | 0.57 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 162.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R104 | A47-R104 PolarHBondContact N-O 2.95Å; A47-R104 PolarHBondContact O-N 2.99Å |
| 48 | G | 94.4 | Very high | 95.5 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 77.3 | -163.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R103 | G48-R103 WeakPolarHBondContact O-CD 3.3Å; G48-R103 PolarHBondContact O-NH1 3.43Å |
| 49 | D | 94.7 | Very high | 95.3 | Very high | 130 Ų | 130 | 48.3 Ų | 48.3 | 70% | 0.695 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 162.3 | -174.6 | -58.4 | -45.9 | 0 | 0 | 0 | 113 | ||
| 50 | L | 96.2 | Very high | 95.2 | Very high | 85 Ų | 85 | 51 Ų | 51 | 45% | 0.445 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 156.3 | 167.8 | -69.3 | 171.8 | 0 | 0 | 0 | 110.2 | A52 S101 M102 R103 | L50-A52 PolarHBondContact O-N 2.89Å; L50-S101 WeakPolarHBondContact CD2-O 3.3Å; L50-M102 WeakPolarHBondContact CA-O 3.47Å; L50-R103 HydrophobicContact CD2-CG 4Å |
| 51 | V | 96.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 4% | 0.036 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 126.4 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 109.9 | A55 V57 L86 L99 M102 L139 F142 | V51-A55 HydrophobicContact CG1-CB 3.68Å; V51-V57 HydrophobicContact CG1-CG1 3.68Å; V51-L86 HydrophobicContact CG1-CD1 3.57Å; V51-L99 WeakPolarHBondContact CB-O 3.47Å; V51-L99 VanDerWaalsContact CG2-O 3.28Å; V51-L99 WeakPolarHBondContact CG2-O 3.28Å; V51-M102 PolarHBondContact N-O 3.31Å; V51-L139 HydrophobicContact CG2-CD1 4.4Å; V51-L139 HydrophobicContact CG2-CD2 3.26Å; V51-L139 HydrophobicContact CG2-CG 4.47Å; V51-F142 HydrophobicContact CG1-CD2 4.49Å; V51-F142 HydrophobicContact CG1-CG 4.43Å; V51-F142 HydrophobicContact CG2-CD1 3.86Å; V51-F142 HydrophobicContact CG2-CE1 4.17Å; V51-F142 HydrophobicContact CG2-CG 4.14Å |
| 52 | A | 92.5 | Very high | 95 | Very high | 26 Ų | 26 | 50 Ų | 50 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -69 | 149.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L50 A55 | L50-A52 PolarHBondContact O-N 2.89Å; A52-A55 HydrophobicContact CB-CB 4.41Å; A52-A55 WeakPolarHBondContact O-CB 3.38Å; A52-A55 PolarHBondContact O-N 2.97Å; A52-A55 VanDerWaalsContact O-N 3.07Å |
| 53 | P | 89.2 | Confident | 95 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 60% | 0.597 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 142.9 | 165.6 | -24.1 | 34.3 | 0 | 0 | 0 | 110.5 | A55 | P53-A55 PolarHBondContact O-N 2.94Å; P53-A55 VanDerWaalsContact O-N 3.1Å |
| 54 | D | 86.8 | Confident | 94.9 | Very high | 82 Ų | 82 | 46.4 Ų | 46.4 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 13.9 | -176.7 | -43.6 | -46.6 | 0 | 0 | 0 | 114.4 | K85 S145 | D54-K85 WeakPolarHBondContact O-CD 3.18Å; D54-K85 VanDerWaalsContact O-CE 3.23Å; D54-K85 WeakPolarHBondContact O-CE 3.46Å; D54-K85 PolarHBondContact O-NZ 3.3Å; D54-S145 PolarHBondContact O-OG 3.23Å; D54-S145 VanDerWaalsContact O-OG 3.12Å |
| 55 | A | 93 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -64.2 | 153.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | V51 A52 P53 V57 L86 F142 L143 | V51-A55 HydrophobicContact CG1-CB 3.68Å; A52-A55 HydrophobicContact CB-CB 4.41Å; A52-A55 WeakPolarHBondContact O-CB 3.38Å; A52-A55 PolarHBondContact O-N 2.97Å; A52-A55 VanDerWaalsContact O-N 3.07Å; P53-A55 PolarHBondContact O-N 2.94Å; P53-A55 VanDerWaalsContact O-N 3.1Å; A55-V57 HydrophobicContact CB-CG1 4.46Å; A55-L86 HydrophobicContact CB-CD1 4.37Å; A55-L86 PolarHBondContact O-N 3.48Å; A55-F142 HydrophobicContact CB-CD2 4.25Å; A55-L143 WeakPolarHBondContact CA-O 3.28Å | ||
| 56 | S | 93.9 | Very high | 94.5 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 114.6 | 164.6 | -60.2 | 0 | 0 | 0 | 0 | 109 | M84 F142 L143 S145 | S56-M84 CarbonylContact C-O 3.51Å; S56-M84 WeakPolarHBondContact CA-O 3.16Å; S56-F142 CarbonylContact O-C 3.6Å; S56-F142 VanDerWaalsContact O-CA 3.3Å; S56-F142 WeakPolarHBondContact O-CA 3.47Å; S56-L143 PolarHBondContact N-O 3.17Å; S56-L143 PolarHBondContact O-N 3.37Å; S56-S145 PolarHBondContact OG-OG 3.15Å |
| 57 | V | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 146.8 | -173.3 | -62.4 | 0 | 0 | 0 | 0 | 112.1 | V51 A55 V59 M84 L86 I90 L99 L139 F142 | V51-V57 HydrophobicContact CG1-CG1 3.68Å; A55-V57 HydrophobicContact CB-CG1 4.46Å; V57-V59 HydrophobicContact CB-CG1 3.99Å; V57-V59 HydrophobicContact CG2-CG1 3.86Å; V57-M84 HydrophobicContact CG2-CB 4.5Å; V57-M84 WeakPolarHBondContact CG2-O 3.28Å; V57-M84 PolarHBondContact N-O 3.45Å; V57-M84 PolarHBondContact O-N 2.85Å; V57-L86 HydrophobicContact CG1-CD1 3.9Å; V57-L86 HydrophobicContact CG1-CD2 4.47Å; V57-L86 HydrophobicContact CG1-CG 4.04Å; V57-L86 HydrophobicContact CG2-CD2 4.29Å; V57-L86 HydrophobicContact CG2-CG 4.36Å; V57-I90 HydrophobicContact CG2-CD1 3.43Å; V57-I90 VanDerWaalsContact CG2-CD1 3.43Å; V57-L99 HydrophobicContact CG2-CD1 4.23Å; V57-L139 HydrophobicContact CB-CD1 4.14Å; V57-L139 HydrophobicContact CG1-CD1 4.33Å; V57-F142 HydrophobicContact CG1-CB 4Å |
| 58 | L | 93.5 | Very high | 93.9 | Very high | 11 Ų | 11 | 46.5 Ų | 46.5 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 108.5 | 173.1 | -170.1 | 73.7 | 0 | 0 | 0 | 108.1 | P81 L83 L140 D141 Y180 | L58-P81 HydrophobicContact CD1-CB 3.68Å; L58-P81 HydrophobicContact CD1-CG 4.5Å; L58-P81 WeakPolarHBondContact CD1-O 3.28Å; L58-P81 HydrophobicContact CG-CB 4.13Å; L58-L83 HydrophobicContact CB-CD1 4.12Å; L58-L140 HydrophobicContact CB-CB 4.36Å; L58-L140 HydrophobicContact CD2-CB 3.96Å; L58-L140 HydrophobicContact CD2-CD1 4.13Å; L58-L140 HydrophobicContact CG-CB 4.16Å; L58-L140 HydrophobicContact CG-CD1 4.16Å; L58-L140 WeakPolarHBondContact O-CB 3.43Å; L58-L140 PolarHBondContact O-N 3.06Å; L58-D141 HydrophobicContact CB-CB 4.16Å; L58-D141 WeakPolarHBondContact CB-O 3.47Å; L58-D141 HydrophobicContact CD2-CB 4.27Å; L58-D141 PolarHBondContact N-O 3.09Å; L58-D141 PolarHBondContact O-N 3.38Å; L58-Y180 HydrophobicContact CD1-CE2 3.79Å; L58-Y180 WeakPolarHBondContact CD1-OH 3.28Å; L58-Y180 HydrophobicContact CD2-CE2 3.83Å; L58-Y180 HydrophobicContact CG-CE2 4.44Å |
| 59 | V | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 144.2 | -169.8 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | V57 Y61 N75 M84 M95 L99 E138 L139 | V57-V59 HydrophobicContact CB-CG1 3.99Å; V57-V59 HydrophobicContact CG2-CG1 3.86Å; V59-Y61 HydrophobicContact CG2-CD1 4.3Å; V59-N75 PolarHBondContact O-ND2 3.31Å; V59-M84 HydrophobicContact CG2-SD 4.46Å; V59-M95 HydrophobicContact CG2-CE 4.02Å; V59-L99 HydrophobicContact CG1-CD1 4.27Å; V59-L99 HydrophobicContact CG1-CD2 3.45Å; V59-L99 VanDerWaalsContact CG1-CD2 3.45Å; V59-E138 CarbonylContact C-O 3.51Å; V59-E138 WeakPolarHBondContact CA-O 3.41Å; V59-L139 HydrophobicContact CG1-CD1 3.88Å |
| 60 | K | 95.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 24% | 0.243 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141.3 | 158.1 | -73.7 | 178.1 | 177.3 | -179.9 | 0 | 109.1 | N75 Y76 P81 I137 E138 L140 | K60-N75 WeakPolarHBondContact CA-OD1 3.29Å; K60-Y76 HydrophobicContact CB-CD2 4.24Å; K60-Y76 HydrophobicContact CB-CE1 4.14Å; K60-Y76 HydrophobicContact CB-CE2 3.78Å; K60-Y76 HydrophobicContact CD-CD1 4.02Å; K60-Y76 HydrophobicContact CD-CE1 3.8Å; K60-P81 HydrophobicContact CG-CG 3.99Å; K60-I137 CarbonylContact O-C 3.6Å; K60-I137 WeakPolarHBondContact O-CA 3.31Å; K60-E138 HydrophobicContact CB-CB 4.23Å; K60-E138 PolarHBondContact N-O 3.2Å; K60-E138 PolarHBondContact O-N 2.92Å; K60-L140 HydrophobicContact CD-CD1 4.23Å; K60-L140 HydrophobicContact CG-CD1 3.98Å |
| 61 | Y | 96.4 | Very high | 93.4 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 12% | 0.122 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 158.1 | 178.7 | 72.1 | -93.7 | 0 | 0 | 0 | 112.9 | V59 D73 S74 N75 Y76 M95 F135 E136 | V59-Y61 HydrophobicContact CG2-CD1 4.3Å; Y61-D73 HydrophobicContact CE2-CB 4.38Å; Y61-D73 VanDerWaalsContact CE2-OD2 3.22Å; Y61-D73 WeakPolarHBondContact CE2-OD2 3.46Å; Y61-D73 PolarHBondContact OH-OD2 3.24Å; Y61-S74 VanDerWaalsContact O-CA 3.26Å; Y61-S74 WeakPolarHBondContact O-CA 3.49Å; Y61-S74 PolarHBondContact O-OG 3.15Å; Y61-N75 HydrophobicContact CD1-CB 4.33Å; Y61-N75 WeakPolarHBondContact CD1-ND2 3.32Å; Y61-N75 HydrophobicContact CE1-CB 3.97Å; Y61-N75 PolarHBondContact N-OD1 2.96Å; Y61-N75 PolarHBondContact O-N 2.92Å; Y61-N75 PolarHBondContact O-OD1 3.27Å; Y61-Y76 WeakPolarHBondContact O-CD2 3.46Å; Y61-M95 HydrophobicContact CD1-CE 3.59Å; Y61-M95 HydrophobicContact CE1-CE 4.07Å; Y61-M95 HydrophobicContact CG-CE 3.94Å; Y61-F135 AromaticContact CD2-CD1 3.88Å; Y61-F135 HydrophobicContact CD2-CD1 3.88Å; Y61-F135 AromaticContact CD2-CE1 3.71Å; Y61-F135 HydrophobicContact CD2-CE1 3.71Å; Y61-F135 AromaticContact CE2-CE1 3.98Å; Y61-F135 HydrophobicContact CE2-CE1 3.98Å; Y61-E136 CarbonylContact C-O 3.6Å; Y61-E136 WeakPolarHBondContact CA-O 3.48Å; Y61-E136 WeakPolarHBondContact CB-O 3.33Å |
| 62 | S | 96.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 6% | 0.056 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 130.1 | 168.6 | -68.3 | 0 | 0 | 0 | 0 | 109.4 | Y64 D73 S74 Y76 F135 E136 | S62-Y64 VanDerWaalsContact CB-CE2 3.42Å; S62-Y64 WeakPolarHBondContact CB-OH 3.48Å; S62-Y64 WeakPolarHBondContact O-CE2 3.47Å; S62-D73 CarbonylContact C-O 3.38Å; S62-D73 WeakPolarHBondContact CA-O 3.25Å; S62-S74 WeakPolarHBondContact OG-CB 3.36Å; S62-S74 PolarHBondContact OG-OG 3.39Å; S62-Y76 WeakPolarHBondContact OG-CD2 3.48Å; S62-F135 CarbonylContact O-C 3.58Å; S62-F135 WeakPolarHBondContact O-CA 3.47Å; S62-E136 PolarHBondContact N-O 3.07Å; S62-E136 PolarHBondContact O-N 3.04Å |
| 63 | G | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P71 F72 D73 L134 | G63-P71 CarbonylContact O-C 3.4Å; G63-P71 WeakPolarHBondContact O-CA 3.4Å; G63-P71 WeakPolarHBondContact O-CB 3.35Å; G63-F72 VanDerWaalsContact C-CD1 3.47Å; G63-F72 WeakPolarHBondContact O-CD1 3.44Å; G63-F72 PolarHBondContact O-N 3.1Å; G63-D73 PolarHBondContact N-O 3.31Å; G63-L134 CarbonylContact C-O 3.52Å; G63-L134 VanDerWaalsContact CA-O 3.31Å; G63-L134 WeakPolarHBondContact CA-O 3.29Å |
| 64 | Y | 96.8 | Very high | 93.6 | Very high | 50 Ų | 50 | 54.1 Ų | 54.1 | 20% | 0.196 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140.3 | -173.4 | -59.8 | -95 | 0 | 0 | 0 | 111.8 | Y22 S62 P71 F72 L134 E136 | Y22-Y64 PolarHBondContact OH-O 2.94Å; Y22-Y64 VanDerWaalsContact OH-O 3.1Å; S62-Y64 VanDerWaalsContact CB-CE2 3.42Å; S62-Y64 WeakPolarHBondContact CB-OH 3.48Å; S62-Y64 WeakPolarHBondContact O-CE2 3.47Å; Y64-P71 HydrophobicContact CD1-CB 4.13Å; Y64-P71 HydrophobicContact CE1-CB 3.81Å; Y64-P71 HydrophobicContact CE1-CG 4.21Å; Y64-P71 HydrophobicContact CE2-CB 4.42Å; Y64-F72 VanDerWaalsContact N-CE1 3.3Å; Y64-L134 HydrophobicContact CD2-CD2 3.86Å; Y64-L134 PolarHBondContact N-O 3.1Å; Y64-L134 PolarHBondContact O-N 2.91Å; Y64-E136 HydrophobicContact CE2-CG 4.31Å |
| 65 | L | 95.8 | Very high | 93.9 | Very high | 27 Ų | 27 | 50.8 Ų | 50.8 | 14% | 0.141 | 24% | 0.243 | C | C | . | . | trans | -87.4 | 151.5 | 165.6 | -67.4 | 174.5 | 0 | 0 | 0 | 109.5 | Y22 H67 M68 F72 L126 I127 T131 V133 | Y22-L65 VanDerWaalsContact OH-C 3.24Å; Y22-L65 PolarHBondContact OH-O 3.42Å; L65-H67 PolarHBondContact O-N 3.41Å; L65-M68 HydrophobicContact CB-CB 4.12Å; L65-M68 HydrophobicContact CB-CG 3.89Å; L65-M68 PolarHBondContact O-N 2.97Å; L65-M68 VanDerWaalsContact O-N 3.14Å; L65-F72 HydrophobicContact CD2-CD1 4.28Å; L65-F72 HydrophobicContact CD2-CE1 4.39Å; L65-F72 HydrophobicContact CG-CD1 3.8Å; L65-F72 HydrophobicContact CG-CE1 4.35Å; L65-L126 WeakPolarHBondContact CD1-O 3.39Å; L65-I127 HydrophobicContact CD2-CG1 4.4Å; L65-I127 HydrophobicContact CD2-CG2 4.44Å; L65-T131 HydrophobicContact CD2-CG2 3.57Å; L65-V133 HydrophobicContact CD2-CG1 4.08Å | ||
| 66 | E | 92.6 | Very high | 93.8 | Very high | 52 Ų | 52 | 55.1 Ų | 55.1 | 24% | 0.243 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 137.9 | 176.7 | -159.8 | 169.2 | -160.2 | 0 | 0 | 110.4 | S20 L21 Y22 M68 | S20-E66 WeakPolarHBondContact CB-OE1 3.26Å; S20-E66 PolarHBondContact OG-OE1 2.9Å; S20-E66 PolarHBondContact OG-OE2 3.36Å; L21-E66 WeakPolarHBondContact CA-OE1 3.34Å; L21-E66 HydrophobicContact CB-CG 4.41Å; L21-E66 WeakPolarHBondContact CB-OE1 3.37Å; L21-E66 PolarHBondContact N-OE1 3.19Å; Y22-E66 HydrophobicContact CD1-CB 4.49Å; Y22-E66 HydrophobicContact CD1-CG 3.97Å; Y22-E66 HydrophobicContact CD2-CB 3.88Å; Y22-E66 HydrophobicContact CD2-CG 4.07Å; Y22-E66 HydrophobicContact CE1-CB 4.32Å; Y22-E66 HydrophobicContact CE1-CG 4.12Å; Y22-E66 HydrophobicContact CE2-CB 3.7Å; Y22-E66 HydrophobicContact CE2-CG 4.22Å; Y22-E66 HydrophobicContact CG-CB 4.29Å; Y22-E66 HydrophobicContact CG-CG 3.95Å; Y22-E66 PolarHBondContact N-OE1 3.04Å; Y22-E66 PolarHBondContact OH-N 3.35Å; E66-M68 PolarHBondContact O-N 3.16Å |
| 67 | H | 88.8 | Confident | 93.4 | Very high | 150 Ų | 150 | 62.1 Ų | 62.1 | 69% | 0.694 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 10.7 | -175.9 | -45.5 | -65.9 | 0 | 0 | 0 | 116.1 | L65 | L65-H67 PolarHBondContact O-N 3.41Š|
| 68 | M | 91.1 | Very high | 92.8 | Very high | 109 Ų | 109 | 68 Ų | 68 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | trans | -109.1 | 119.3 | 175.2 | -66.1 | -68.9 | -72.2 | 0 | 0 | 110.8 | L65 E66 R70 | L65-M68 HydrophobicContact CB-CB 4.12Å; L65-M68 HydrophobicContact CB-CG 3.89Å; L65-M68 PolarHBondContact O-N 2.97Å; L65-M68 VanDerWaalsContact O-N 3.14Å; E66-M68 PolarHBondContact O-N 3.16Å; M68-R70 VanDerWaalsContact C-N 3.28Å; M68-R70 PolarHBondContact O-N 3.47Å | ||
| 69 | D | 86.9 | Confident | 92.1 | Very high | 162 Ų | 162 | 77.4 Ų | 77.4 | 87% | 0.866 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -75.2 | -19.6 | 178.1 | -62.3 | -34.9 | 0 | 0 | 0 | 113.1 | ||
| 70 | R | 92.7 | Very high | 91.3 | Very high | 209 Ų | 209 | 80.9 Ų | 80.9 | 79% | 0.789 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -98.8 | 133.5 | 179.4 | -67.2 | -173.2 | -177.6 | -172.7 | 1.8 | 110.4 | M68 | M68-R70 VanDerWaalsContact C-N 3.28Å; M68-R70 PolarHBondContact O-N 3.47Å |
| 71 | P | 95.8 | Very high | 90.6 | Very high | 53 Ų | 53 | 78.7 Ų | 78.7 | 34% | 0.344 | 36% | 0.364 | S | S | . | . | trans | -67.3 | 141.3 | 176.4 | 28.6 | -33.3 | 0 | 0 | 0 | 110.5 | G63 Y64 | G63-P71 CarbonylContact O-C 3.4Å; G63-P71 WeakPolarHBondContact O-CA 3.4Å; G63-P71 WeakPolarHBondContact O-CB 3.35Å; Y64-P71 HydrophobicContact CD1-CB 4.13Å; Y64-P71 HydrophobicContact CE1-CB 3.81Å; Y64-P71 HydrophobicContact CE1-CG 4.21Å; Y64-P71 HydrophobicContact CE2-CB 4.42Å | ||
| 72 | F | 94.3 | Very high | 90.1 | Very high | 42 Ų | 42 | 83.7 Ų | 83.7 | 18% | 0.184 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -79.3 | -25.8 | 173 | 65.4 | -99.9 | 0 | 0 | 0 | 111.8 | G63 Y64 L65 Y118 I127 V133 F135 | G63-F72 VanDerWaalsContact C-CD1 3.47Å; G63-F72 WeakPolarHBondContact O-CD1 3.44Å; G63-F72 PolarHBondContact O-N 3.1Å; Y64-F72 VanDerWaalsContact N-CE1 3.3Å; L65-F72 HydrophobicContact CD2-CD1 4.28Å; L65-F72 HydrophobicContact CD2-CE1 4.39Å; L65-F72 HydrophobicContact CG-CD1 3.8Å; L65-F72 HydrophobicContact CG-CE1 4.35Å; F72-Y118 HydrophobicContact CE2-CE2 4.14Å; F72-Y118 WeakPolarHBondContact CE2-OH 3.29Å; F72-Y118 HydrophobicContact CZ-CE2 4.11Å; F72-I127 HydrophobicContact CD2-CD1 3.86Å; F72-I127 HydrophobicContact CD2-CG1 4.24Å; F72-I127 HydrophobicContact CE2-CD1 3.79Å; F72-I127 HydrophobicContact CE2-CG1 4.43Å; F72-I127 HydrophobicContact CG-CG1 4.42Å; F72-I127 HydrophobicContact CZ-CD1 4.35Å; F72-V133 HydrophobicContact CE1-CB 4.14Å; F72-V133 HydrophobicContact CE1-CG1 3.98Å; F72-V133 HydrophobicContact CZ-CB 4.19Å; F72-V133 HydrophobicContact CZ-CG1 4.07Å; F72-F135 HydrophobicContact CE2-CE2 4.48Å; F72-F135 HydrophobicContact CE2-CZ 4.01Å; F72-F135 AromaticContact CZ-CE2 3.72Å; F72-F135 HydrophobicContact CZ-CE2 3.72Å; F72-F135 AromaticContact CZ-CZ 3.67Å; F72-F135 HydrophobicContact CZ-CZ 3.67Å |
| 73 | D | 92.8 | Very high | 89.7 | Confident | 61 Ų | 61 | 84.8 Ų | 84.8 | 33% | 0.326 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 139.4 | 171.9 | -173.8 | 18.4 | 0 | 0 | 0 | 109.5 | Y61 S62 G63 | Y61-D73 HydrophobicContact CE2-CB 4.38Å; Y61-D73 VanDerWaalsContact CE2-OD2 3.22Å; Y61-D73 WeakPolarHBondContact CE2-OD2 3.46Å; Y61-D73 PolarHBondContact OH-OD2 3.24Å; S62-D73 CarbonylContact C-O 3.38Å; S62-D73 WeakPolarHBondContact CA-O 3.25Å; G63-D73 PolarHBondContact N-O 3.31Å |
| 74 | S | 94.6 | Very high | 89.5 | Confident | 22 Ų | 22 | 86.3 Ų | 86.3 | 15% | 0.154 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 143.3 | 176.9 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | Y61 S62 Y76 F77 | Y61-S74 VanDerWaalsContact O-CA 3.26Å; Y61-S74 WeakPolarHBondContact O-CA 3.49Å; Y61-S74 PolarHBondContact O-OG 3.15Å; S62-S74 WeakPolarHBondContact OG-CB 3.36Å; S62-S74 PolarHBondContact OG-OG 3.39Å; S74-Y76 PolarHBondContact OG-N 3.39Å; S74-F77 WeakPolarHBondContact O-CD1 3.28Å; S74-F77 WeakPolarHBondContact O-CE1 3.4Å |
| 75 | N | 93.8 | Very high | 89.3 | Confident | 12 Ų | 12 | 84.9 Ų | 84.9 | 6% | 0.064 | 39% | 0.391 | C | S | . | . | trans | -107.7 | 5.9 | 174.9 | 77 | -2.4 | 0 | 0 | 0 | 113.6 | V59 K60 Y61 F77 R78 | V59-N75 PolarHBondContact O-ND2 3.31Å; K60-N75 WeakPolarHBondContact CA-OD1 3.29Å; Y61-N75 HydrophobicContact CD1-CB 4.33Å; Y61-N75 WeakPolarHBondContact CD1-ND2 3.32Å; Y61-N75 HydrophobicContact CE1-CB 3.97Å; Y61-N75 PolarHBondContact N-OD1 2.96Å; Y61-N75 PolarHBondContact O-N 2.92Å; Y61-N75 PolarHBondContact O-OD1 3.27Å; N75-F77 PolarHBondContact O-N 3.18Å; N75-F77 VanDerWaalsContact O-N 3.15Å; N75-R78 WeakPolarHBondContact O-CB 3.47Å; N75-R78 PolarHBondContact O-N 2.94Å | ||
| 76 | Y | 89.8 | Confident | 89.1 | Confident | 91 Ų | 91 | 83.7 Ų | 83.7 | 36% | 0.357 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.5 | -178.2 | -87.9 | -97.2 | 0 | 0 | 0 | 113.7 | K60 Y61 S62 S74 R78 | K60-Y76 HydrophobicContact CB-CD2 4.24Å; K60-Y76 HydrophobicContact CB-CE1 4.14Å; K60-Y76 HydrophobicContact CB-CE2 3.78Å; K60-Y76 HydrophobicContact CD-CD1 4.02Å; K60-Y76 HydrophobicContact CD-CE1 3.8Å; Y61-Y76 WeakPolarHBondContact O-CD2 3.46Å; S62-Y76 WeakPolarHBondContact OG-CD2 3.48Å; S74-Y76 PolarHBondContact OG-N 3.39Å; Y76-R78 PolarHBondContact O-N 3.14Å |
| 77 | F | 86.2 | Confident | 88.9 | Confident | 159 Ų | 159 | 83.7 Ų | 83.7 | 70% | 0.697 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.9 | 175.7 | 64.9 | -102.9 | 0 | 0 | 0 | 113.2 | S74 N75 | S74-F77 WeakPolarHBondContact O-CD1 3.28Å; S74-F77 WeakPolarHBondContact O-CE1 3.4Å; N75-F77 PolarHBondContact O-N 3.18Å; N75-F77 VanDerWaalsContact O-N 3.15Å |
| 78 | R | 82.3 | Confident | 88.9 | Confident | 122 Ų | 122 | 83.2 Ų | 83.2 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | trans | -80.5 | 123.5 | 178.6 | -62.6 | -171.5 | 179.8 | 179.7 | 2.1 | 110 | N75 Y76 T80 | N75-R78 WeakPolarHBondContact O-CB 3.47Å; N75-R78 PolarHBondContact O-N 2.94Å; Y76-R78 PolarHBondContact O-N 3.14Å; R78-T80 PolarHBondContact O-N 2.91Å | ||
| 79 | K | 79.3 | Confident | 88.9 | Confident | 210 Ų | 210 | 80.7 Ų | 80.7 | 91% | 0.913 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -56.6 | -37.1 | 173.9 | -67.4 | -174.1 | 179.4 | -178.4 | 0 | 112 | ||
| 80 | T | 77.6 | Confident | 89.1 | Confident | 72 Ų | 72 | 73.2 Ų | 73.2 | 44% | 0.442 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -127.3 | 112.6 | -178.8 | 58.1 | 0 | 0 | 0 | 0 | 108.9 | R78 | R78-T80 PolarHBondContact O-N 2.91Š|
| 81 | P | 81.9 | Confident | 88.9 | Confident | 10 Ų | 10 | 68.9 Ų | 68.9 | 7% | 0.065 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 146.4 | 177.1 | -20.7 | 32.6 | 0 | 0 | 0 | 110 | L58 K60 L140 Y180 | L58-P81 HydrophobicContact CD1-CB 3.68Å; L58-P81 HydrophobicContact CD1-CG 4.5Å; L58-P81 WeakPolarHBondContact CD1-O 3.28Å; L58-P81 HydrophobicContact CG-CB 4.13Å; K60-P81 HydrophobicContact CG-CG 3.99Å; P81-L140 HydrophobicContact CB-CD1 4.46Å; P81-L140 HydrophobicContact CG-CD1 3.73Å; P81-Y180 PolarHBondContact O-OH 3.22Å |
| 82 | R | 84.9 | Confident | 88.8 | Confident | 137 Ų | 137 | 67.3 Ų | 67.3 | 52% | 0.517 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -80.7 | 140.7 | 175.1 | 178.5 | 176.7 | 167.4 | -151.5 | -13.4 | 108 | M84 D89 | R82-M84 HydrophobicContact CG-CG 4.43Å; R82-M84 PolarHBondContact O-N 3.04Å; R82-D89 IonicContact CZ-OD1 3.62Å; R82-D89 IonicContact NH1-OD1 2.72Å; R82-D89 IonicContact NH2-OD1 2.79Å; R82-D89 PolarHBondContact NH2-OD1 3.19Å; R82-D89 IonicContact NH2-OD2 3.85Å; R82-D89 PolarHBondContact NH2-OD2 3.18Å |
| 83 | L | 89.4 | Confident | 88.8 | Confident | 30 Ų | 30 | 73.7 Ų | 73.7 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 121.2 | 168.8 | -168.5 | 70.6 | 0 | 0 | 0 | 108 | L58 L143 F177 Y180 | L58-L83 HydrophobicContact CB-CD1 4.12Å; L83-L143 HydrophobicContact CD2-CD1 4.14Å; L83-F177 HydrophobicContact CD2-CD1 3.53Å; L83-F177 HydrophobicContact CD2-CE1 3.21Å; L83-F177 HydrophobicContact CD2-CZ 4.3Å; L83-F177 HydrophobicContact CG-CE1 4.47Å; L83-Y180 HydrophobicContact CB-CE1 4.09Å; L83-Y180 HydrophobicContact CD2-CD1 4.35Å |
| 84 | M | 91.7 | Very high | 89 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 16% | 0.163 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 133.8 | -171 | -66.1 | 174.6 | 71.2 | 0 | 0 | 110.1 | S56 V57 V59 R82 D89 I90 | S56-M84 CarbonylContact C-O 3.51Å; S56-M84 WeakPolarHBondContact CA-O 3.16Å; V57-M84 HydrophobicContact CG2-CB 4.5Å; V57-M84 WeakPolarHBondContact CG2-O 3.28Å; V57-M84 PolarHBondContact N-O 3.45Å; V57-M84 PolarHBondContact O-N 2.85Å; V59-M84 HydrophobicContact CG2-SD 4.46Å; R82-M84 HydrophobicContact CG-CG 4.43Å; R82-M84 PolarHBondContact O-N 3.04Å; M84-D89 HydrophobicContact CB-CB 3.88Å; M84-D89 HydrophobicContact CE-CB 4.22Å; M84-D89 WeakPolarHBondContact CE-O 3.4Å; M84-D89 HydrophobicContact CG-CB 4.32Å; M84-I90 HydrophobicContact CB-CD1 4.07Å; M84-I90 HydrophobicContact CB-CG1 4.07Å; M84-I90 HydrophobicContact CE-CG1 3.63Å; M84-I90 HydrophobicContact SD-CG1 4.47Å |
| 85 | K | 92.4 | Very high | 89.2 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 9% | 0.087 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 124.2 | 178.1 | 179.6 | 65.3 | 179.1 | -168.4 | 0 | 110.9 | D54 E88 D89 S145 D149 | D54-K85 WeakPolarHBondContact O-CD 3.18Å; D54-K85 VanDerWaalsContact O-CE 3.23Å; D54-K85 WeakPolarHBondContact O-CE 3.46Å; D54-K85 PolarHBondContact O-NZ 3.3Å; K85-E88 HydrophobicContact CB-CB 4.14Å; K85-E88 HydrophobicContact CG-CB 3.9Å; K85-E88 HydrophobicContact CG-CG 3.99Å; K85-E88 PolarHBondContact O-N 3.31Å; K85-D89 PolarHBondContact N-OD2 2.97Å; K85-D89 PolarHBondContact O-N 3.15Å; K85-S145 PolarHBondContact NZ-OG 2.96Å; K85-D149 IonicContact NZ-OD2 2.75Å; K85-D149 PolarHBondContact NZ-OD2 3.15Å |
| 86 | L | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 142.3 | 168.9 | -68.4 | 173 | 0 | 0 | 0 | 110 | V51 A55 V57 E88 I90 E96 L99 L100 | V51-L86 HydrophobicContact CG1-CD1 3.57Å; A55-L86 HydrophobicContact CB-CD1 4.37Å; A55-L86 PolarHBondContact O-N 3.48Å; V57-L86 HydrophobicContact CG1-CD1 3.9Å; V57-L86 HydrophobicContact CG1-CD2 4.47Å; V57-L86 HydrophobicContact CG1-CG 4.04Å; V57-L86 HydrophobicContact CG2-CD2 4.29Å; V57-L86 HydrophobicContact CG2-CG 4.36Å; L86-E88 PolarHBondContact O-N 3.11Å; L86-I90 HydrophobicContact CD2-CD1 3.61Å; L86-I90 HydrophobicContact CG-CD1 4.49Å; L86-E96 HydrophobicContact CD2-CG 4.26Å; L86-L99 HydrophobicContact CD2-CB 4.18Å; L86-L99 HydrophobicContact CD2-CD1 3.97Å; L86-L100 HydrophobicContact CD1-CD2 3.99Å |
| 87 | G | 88.1 | Confident | 89.6 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 53% | 0.526 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.1 | -11 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116 | E96 | G87-E96 VanDerWaalsContact CA-OE1 3.32Å; G87-E96 WeakPolarHBondContact CA-OE1 3.36Å; G87-E96 PolarHBondContact N-OE1 3.47Å |
| 88 | E | 89.3 | Confident | 90.2 | Very high | 140 Ų | 140 | 63.6 Ų | 63.6 | 65% | 0.654 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | -58.7 | -178.4 | -66.6 | 178.8 | -153.7 | 0 | 0 | 113.2 | K85 L86 | K85-E88 HydrophobicContact CB-CB 4.14Å; K85-E88 HydrophobicContact CG-CB 3.9Å; K85-E88 HydrophobicContact CG-CG 3.99Å; K85-E88 PolarHBondContact O-N 3.31Å; L86-E88 PolarHBondContact O-N 3.11Å |
| 89 | D | 91.1 | Very high | 90.9 | Very high | 56 Ų | 56 | 57.8 Ų | 57.8 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -21 | -175.8 | -74.1 | -54.7 | 0 | 0 | 0 | 112.7 | R82 M84 K85 | R82-D89 IonicContact CZ-OD1 3.62Å; R82-D89 IonicContact NH1-OD1 2.72Å; R82-D89 IonicContact NH2-OD1 2.79Å; R82-D89 PolarHBondContact NH2-OD1 3.19Å; R82-D89 IonicContact NH2-OD2 3.85Å; R82-D89 PolarHBondContact NH2-OD2 3.18Å; M84-D89 HydrophobicContact CB-CB 3.88Å; M84-D89 HydrophobicContact CE-CB 4.22Å; M84-D89 WeakPolarHBondContact CE-O 3.4Å; M84-D89 HydrophobicContact CG-CB 4.32Å; K85-D89 PolarHBondContact N-OD2 2.97Å; K85-D89 PolarHBondContact O-N 3.15Å |
| 90 | I | 90.6 | Very high | 91.7 | Very high | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | trans | -106.2 | 104.1 | -179.8 | -63.7 | 167.5 | 0 | 0 | 0 | 107.7 | V57 M84 L86 M95 E96 L99 | V57-I90 HydrophobicContact CG2-CD1 3.43Å; V57-I90 VanDerWaalsContact CG2-CD1 3.43Å; M84-I90 HydrophobicContact CB-CD1 4.07Å; M84-I90 HydrophobicContact CB-CG1 4.07Å; M84-I90 HydrophobicContact CE-CG1 3.63Å; M84-I90 HydrophobicContact SD-CG1 4.47Å; L86-I90 HydrophobicContact CD2-CD1 3.61Å; L86-I90 HydrophobicContact CG-CD1 4.49Å; I90-M95 HydrophobicContact CG2-CB 4.18Å; I90-M95 HydrophobicContact CG2-CG 4.01Å; I90-M95 HydrophobicContact CG2-SD 4.17Å; I90-E96 HydrophobicContact CG2-CB 4.38Å; I90-L99 HydrophobicContact CD1-CD1 3.59Å | ||
| 91 | T | 87.3 | Confident | 92.7 | Very high | 118 Ų | 118 | 48.2 Ų | 48.2 | 72% | 0.724 | 25% | 0.245 | S | C | * | . | trans | -98.6 | -14.5 | -171.6 | 56 | 0 | 0 | 0 | 0 | 113.9 | W93 | T91-W93 PolarHBondContact O-N 3.45Š| ||
| 92 | L | 94.3 | Very high | 93.5 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 24% | 0.242 | C | C | . | . | trans | -80.1 | 109.5 | 177.4 | -165.7 | 71.5 | 0 | 0 | 0 | 109.3 | G94 M95 E96 F112 A117 Y118 F135 | L92-G94 VanDerWaalsContact C-N 3.33Å; L92-G94 PolarHBondContact O-N 3.38Å; L92-M95 HydrophobicContact CB-CB 3.99Å; L92-M95 HydrophobicContact CD2-CB 4.2Å; L92-M95 HydrophobicContact CG-CB 4.4Å; L92-M95 WeakPolarHBondContact O-CA 3.46Å; L92-M95 WeakPolarHBondContact O-CB 3.21Å; L92-M95 PolarHBondContact O-N 3.49Å; L92-E96 PolarHBondContact O-N 3.49Å; L92-F112 HydrophobicContact CD2-CD2 3.92Å; L92-F112 HydrophobicContact CD2-CE2 4.08Å; L92-A117 HydrophobicContact CD1-CB 4.4Å; L92-Y118 HydrophobicContact CD1-CE1 4.25Å; L92-Y118 HydrophobicContact CD1-CE2 4.23Å; L92-F135 HydrophobicContact CD2-CD2 4.41Å; L92-F135 HydrophobicContact CD2-CE2 3.67Å; L92-F135 HydrophobicContact CD2-CZ 3.76Å | ||
| 93 | W | 95 | Very high | 94.1 | Very high | 176 Ų | 176 | 46 Ų | 46 | 67% | 0.667 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -56.8 | -42.5 | -172.5 | -72.8 | 11.8 | 0 | 0 | 0 | 113.6 | T91 M95 E96 L97 | T91-W93 PolarHBondContact O-N 3.45Å; W93-M95 VanDerWaalsContact C-N 3.26Å; W93-M95 PolarHBondContact O-N 3.37Å; W93-E96 PolarHBondContact O-N 3.18Å; W93-L97 PolarHBondContact O-N 3.39Å |
| 94 | G | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -36.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L92 G98 F112 Y116 | L92-G94 VanDerWaalsContact C-N 3.33Å; L92-G94 PolarHBondContact O-N 3.38Å; G94-G98 PolarHBondContact O-N 3.01Å; G94-F112 VanDerWaalsContact C-CZ 3.42Å; G94-F112 WeakPolarHBondContact O-CE1 3.42Å; G94-F112 WeakPolarHBondContact O-CZ 3.43Å; G94-Y116 WeakPolarHBondContact CA-O 3.44Å; G94-Y116 PolarHBondContact N-O 3.33Å |
| 95 | M | 97.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70 | -41 | 177.3 | -174.3 | 173.1 | -177.3 | 0 | 0 | 111.9 | V59 Y61 I90 L92 W93 G98 L99 F112 I137 | V59-M95 HydrophobicContact CG2-CE 4.02Å; Y61-M95 HydrophobicContact CD1-CE 3.59Å; Y61-M95 HydrophobicContact CE1-CE 4.07Å; Y61-M95 HydrophobicContact CG-CE 3.94Å; I90-M95 HydrophobicContact CG2-CB 4.18Å; I90-M95 HydrophobicContact CG2-CG 4.01Å; I90-M95 HydrophobicContact CG2-SD 4.17Å; L92-M95 HydrophobicContact CB-CB 3.99Å; L92-M95 HydrophobicContact CD2-CB 4.2Å; L92-M95 HydrophobicContact CG-CB 4.4Å; L92-M95 WeakPolarHBondContact O-CA 3.46Å; L92-M95 WeakPolarHBondContact O-CB 3.21Å; L92-M95 PolarHBondContact O-N 3.49Å; W93-M95 VanDerWaalsContact C-N 3.26Å; W93-M95 PolarHBondContact O-N 3.37Å; M95-G98 PolarHBondContact O-N 3.46Å; M95-L99 HydrophobicContact CE-CD1 4.2Å; M95-L99 HydrophobicContact CG-CD1 3.94Å; M95-L99 HydrophobicContact CG-CG 4.5Å; M95-L99 WeakPolarHBondContact O-CB 3.44Å; M95-L99 WeakPolarHBondContact O-CD1 3.31Å; M95-L99 VanDerWaalsContact O-CG 3.26Å; M95-L99 WeakPolarHBondContact O-CG 3.44Å; M95-L99 PolarHBondContact O-N 2.94Å; M95-F112 HydrophobicContact CB-CE2 4.14Å; M95-F112 HydrophobicContact CB-CZ 4.26Å; M95-I137 HydrophobicContact CE-CD1 4.38Å; M95-I137 HydrophobicContact CG-CD1 3.89Å |
| 96 | E | 95.9 | Very high | 95 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 23% | 0.234 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.8 | -50.5 | 175.4 | -179.9 | 168.2 | -156.3 | 0 | 0 | 111.6 | L86 G87 I90 L92 W93 G98 L99 L100 | L86-E96 HydrophobicContact CD2-CG 4.26Å; G87-E96 VanDerWaalsContact CA-OE1 3.32Å; G87-E96 WeakPolarHBondContact CA-OE1 3.36Å; G87-E96 PolarHBondContact N-OE1 3.47Å; I90-E96 HydrophobicContact CG2-CB 4.38Å; L92-E96 PolarHBondContact O-N 3.49Å; W93-E96 PolarHBondContact O-N 3.18Å; E96-G98 VanDerWaalsContact C-N 3.32Å; E96-G98 PolarHBondContact O-N 3.07Å; E96-L99 PolarHBondContact O-N 3.41Å; E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 3.07Å; E96-L100 VanDerWaalsContact O-N 3.11Å |
| 97 | L | 96.9 | Very high | 95.3 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 38% | 0.377 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 174.9 | -70.4 | 176.2 | 0 | 0 | 0 | 112.1 | V38 W93 L99 L100 S101 Y116 | V38-L97 HydrophobicContact CG2-CD1 4.17Å; W93-L97 PolarHBondContact O-N 3.39Å; L97-L99 PolarHBondContact O-N 3.46Å; L97-L100 PolarHBondContact O-N 3.37Å; L97-S101 PolarHBondContact O-N 2.97Å; L97-Y116 HydrophobicContact CD1-CD1 3.77Å; L97-Y116 HydrophobicContact CD1-CE1 3.49Å; L97-Y116 VanDerWaalsContact CD1-CE1 3.49Å |
| 98 | G | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.7 | -50.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G94 M95 E96 L100 S101 M102 F110 | G94-G98 PolarHBondContact O-N 3.01Å; M95-G98 PolarHBondContact O-N 3.46Å; E96-G98 VanDerWaalsContact C-N 3.32Å; E96-G98 PolarHBondContact O-N 3.07Å; G98-L100 PolarHBondContact O-N 2.98Å; G98-S101 WeakPolarHBondContact O-CB 3.28Å; G98-S101 PolarHBondContact O-N 2.88Å; G98-S101 VanDerWaalsContact O-N 3.08Å; G98-S101 PolarHBondContact O-OG 2.92Å; G98-M102 WeakPolarHBondContact O-CG 3.45Å; G98-F110 VanDerWaalsContact CA-CE1 3.47Å |
| 99 | L | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.3 | -36.8 | -178.5 | -74.2 | 164.5 | 0 | 0 | 0 | 113.4 | V51 V57 V59 L86 I90 M95 E96 L97 S101 M102 I137 L139 | V51-L99 WeakPolarHBondContact CB-O 3.47Å; V51-L99 VanDerWaalsContact CG2-O 3.28Å; V51-L99 WeakPolarHBondContact CG2-O 3.28Å; V57-L99 HydrophobicContact CG2-CD1 4.23Å; V59-L99 HydrophobicContact CG1-CD1 4.27Å; V59-L99 HydrophobicContact CG1-CD2 3.45Å; V59-L99 VanDerWaalsContact CG1-CD2 3.45Å; L86-L99 HydrophobicContact CD2-CB 4.18Å; L86-L99 HydrophobicContact CD2-CD1 3.97Å; I90-L99 HydrophobicContact CD1-CD1 3.59Å; M95-L99 HydrophobicContact CE-CD1 4.2Å; M95-L99 HydrophobicContact CG-CD1 3.94Å; M95-L99 HydrophobicContact CG-CG 4.5Å; M95-L99 WeakPolarHBondContact O-CB 3.44Å; M95-L99 WeakPolarHBondContact O-CD1 3.31Å; M95-L99 VanDerWaalsContact O-CG 3.26Å; M95-L99 WeakPolarHBondContact O-CG 3.44Å; M95-L99 PolarHBondContact O-N 2.94Å; E96-L99 PolarHBondContact O-N 3.41Å; L97-L99 PolarHBondContact O-N 3.46Å; L99-S101 PolarHBondContact O-N 3.22Å; L99-M102 HydrophobicContact CD2-SD 3.95Å; L99-M102 PolarHBondContact O-N 3.4Å; L99-I137 HydrophobicContact CD2-CG2 3.89Å; L99-L139 HydrophobicContact CD2-CD1 4.34Å |
| 100 | L | 96.9 | Very high | 96.5 | Very high | 55 Ų | 55 | 43 Ų | 43 | 29% | 0.288 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.6 | -24.6 | 174.1 | -70.1 | 171.2 | 0 | 0 | 0 | 112.6 | L86 E96 L97 G98 | L86-L100 HydrophobicContact CD1-CD2 3.99Å; E96-L100 WeakPolarHBondContact O-CG 3.42Å; E96-L100 PolarHBondContact O-N 3.07Å; E96-L100 VanDerWaalsContact O-N 3.11Å; L97-L100 PolarHBondContact O-N 3.37Å; G98-L100 PolarHBondContact O-N 2.98Å |
| 101 | S | 97.8 | Very high | 96.9 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.7 | 175.8 | 83.1 | 0 | 0 | 0 | 0 | 114.3 | K40 L50 L97 G98 L99 | K40-S101 WeakPolarHBondContact CD-OG 3.14Å; K40-S101 PolarHBondContact NZ-O 3.45Å; K40-S101 PolarHBondContact NZ-OG 3.29Å; L50-S101 WeakPolarHBondContact CD2-O 3.3Å; L97-S101 PolarHBondContact O-N 2.97Å; G98-S101 WeakPolarHBondContact O-CB 3.28Å; G98-S101 PolarHBondContact O-N 2.88Å; G98-S101 VanDerWaalsContact O-N 3.08Å; G98-S101 PolarHBondContact O-OG 2.92Å; L99-S101 PolarHBondContact O-N 3.22Å |
| 102 | M | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -96.8 | 156.6 | -171.4 | -65.4 | -177.3 | 75.2 | 0 | 0 | 113.2 | L50 V51 G98 L99 E106 A108 F110 I137 L139 | L50-M102 WeakPolarHBondContact CA-O 3.47Å; V51-M102 PolarHBondContact N-O 3.31Å; G98-M102 WeakPolarHBondContact O-CG 3.45Å; L99-M102 HydrophobicContact CD2-SD 3.95Å; L99-M102 PolarHBondContact O-N 3.4Å; M102-E106 VanDerWaalsContact CA-OE2 3.27Å; M102-E106 WeakPolarHBondContact CA-OE2 3.44Å; M102-E106 HydrophobicContact CE-CB 3.81Å; M102-E106 HydrophobicContact CE-CG 3.95Å; M102-E106 VanDerWaalsContact CE-O 3.27Å; M102-E106 WeakPolarHBondContact CE-O 3.44Å; M102-E106 WeakPolarHBondContact CG-OE1 3.35Å; M102-A108 HydrophobicContact CE-CB 4.16Å; M102-F110 HydrophobicContact CG-CZ 3.93Å; M102-F110 HydrophobicContact SD-CE2 3.84Å; M102-F110 HydrophobicContact SD-CZ 3.83Å; M102-I137 HydrophobicContact CE-CG2 4.47Å; M102-I137 WeakPolarHBondContact CE-O 3.34Å; M102-I137 HydrophobicContact SD-CB 4.39Å; M102-I137 HydrophobicContact SD-CG2 4.04Å; M102-L139 HydrophobicContact CB-CB 4.32Å; M102-L139 HydrophobicContact CB-CD2 3.65Å; M102-L139 HydrophobicContact CE-CB 3.72Å; M102-L139 HydrophobicContact SD-CB 4.21Å | ||
| 103 | R | 97.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 39.2 Ų | 39.2 | 38% | 0.381 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 159.7 | 169.8 | -62.3 | 180 | -172.3 | -93.5 | -0.5 | 111.4 | G48 L50 G105 E106 L139 | G48-R103 WeakPolarHBondContact O-CD 3.3Å; G48-R103 PolarHBondContact O-NH1 3.43Å; L50-R103 HydrophobicContact CD2-CG 4Å; R103-G105 PolarHBondContact O-N 3.13Å; R103-E106 PolarHBondContact N-OE2 3.39Å; R103-E106 WeakPolarHBondContact O-CB 3.27Å; R103-E106 PolarHBondContact O-N 3.49Å; R103-L139 WeakPolarHBondContact O-CD2 3.44Å |
| 104 | R | 96.6 | Very high | 97.7 | Very high | 120 Ų | 120 | 31.9 Ų | 31.9 | 45% | 0.453 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 129.9 | 179.4 | -175.6 | -179.4 | -62.8 | 170.6 | -3.8 | 111.1 | G46 A47 E106 D141 F142 | G46-R104 CarbonylContact C-O 3.53Å; G46-R104 WeakPolarHBondContact CA-O 3.48Å; A47-R104 PolarHBondContact N-O 2.95Å; A47-R104 PolarHBondContact O-N 2.99Å; R104-E106 VanDerWaalsContact C-N 3.31Å; R104-D141 IonicContact CZ-OD1 2.85Å; R104-D141 IonicContact NE-OD1 3.81Å; R104-D141 PolarHBondContact NE-OD1 2.79Å; R104-D141 IonicContact NH2-OD1 3.12Å; R104-D141 PolarHBondContact NH2-OD1 3.35Å; R104-F142 HydrophobicContact CB-CD1 4.46Å; R104-F142 HydrophobicContact CB-CE1 4.18Å; R104-F142 PolarHBondContact NH2-O 3.02Å |
| 105 | G | 97.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 26% | 0.258 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -6.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R44 R103 L139 | R44-G105 PolarHBondContact NE-O 3.24Å; R44-G105 PolarHBondContact NH2-O 2.88Å; R103-G105 PolarHBondContact O-N 3.13Å; G105-L139 CarbonylContact C-O 3.59Å; G105-L139 WeakPolarHBondContact CA-O 3.37Å; G105-L139 PolarHBondContact N-O 3.24Å |
| 106 | E | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -66.7 | 139.7 | -178 | -168.9 | -176.7 | 131.9 | 0 | 0 | 111.5 | K40 V42 R44 M102 R103 R104 E138 L139 | K40-E106 WeakPolarHBondContact CE-OE1 3.38Å; K40-E106 IonicContact NZ-OE1 2.7Å; K40-E106 PolarHBondContact NZ-OE1 2.96Å; K40-E106 IonicContact NZ-OE2 3.6Å; V42-E106 HydrophobicContact CG1-CG 4.2Å; R44-E106 CarbonylContact O-C 3.4Å; R44-E106 VanDerWaalsContact O-CA 3.3Å; R44-E106 WeakPolarHBondContact O-CA 3.2Å; R44-E106 VanDerWaalsContact O-CG 3.31Å; R44-E106 WeakPolarHBondContact O-CG 3.35Å; M102-E106 VanDerWaalsContact CA-OE2 3.27Å; M102-E106 WeakPolarHBondContact CA-OE2 3.44Å; M102-E106 HydrophobicContact CE-CB 3.81Å; M102-E106 HydrophobicContact CE-CG 3.95Å; M102-E106 VanDerWaalsContact CE-O 3.27Å; M102-E106 WeakPolarHBondContact CE-O 3.44Å; M102-E106 WeakPolarHBondContact CG-OE1 3.35Å; R103-E106 PolarHBondContact N-OE2 3.39Å; R103-E106 WeakPolarHBondContact O-CB 3.27Å; R103-E106 PolarHBondContact O-N 3.49Å; R104-E106 VanDerWaalsContact C-N 3.31Å; E106-E138 CarbonylContact O-C 3.57Å; E106-E138 WeakPolarHBondContact O-CA 3.25Å; E106-L139 PolarHBondContact O-N 3.4Å | ||
| 107 | L | 98.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.3 | 167 | 174.3 | 67.5 | 0 | 0 | 0 | 107.6 | I43 R44 I137 E138 | I43-L107 WeakPolarHBondContact CA-O 3.43Å; I43-L107 HydrophobicContact CB-CD2 4.2Å; I43-L107 HydrophobicContact CB-CG 4.09Å; I43-L107 WeakPolarHBondContact CB-O 3.49Å; I43-L107 HydrophobicContact CD1-CD2 4.29Å; I43-L107 HydrophobicContact CD1-CG 4.04Å; I43-L107 HydrophobicContact CG2-CD2 3.98Å; I43-L107 HydrophobicContact CG2-CG 4.43Å; I43-L107 PolarHBondContact N-O 3.29Å; R44-L107 HydrophobicContact CB-CB 3.94Å; R44-L107 PolarHBondContact N-O 3.05Å; R44-L107 PolarHBondContact O-N 2.88Å; L107-I137 WeakPolarHBondContact CA-O 3.45Å; L107-E138 HydrophobicContact CD1-CB 3.84Å; L107-E138 HydrophobicContact CD1-CG 4.42Å |
| 108 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 151.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K40 D41 M102 F110 I137 | K40-A108 HydrophobicContact CG-CB 4.41Å; D41-A108 CarbonylContact O-C 3.43Å; D41-A108 VanDerWaalsContact O-CA 3.28Å; D41-A108 WeakPolarHBondContact O-CA 3.38Å; D41-A108 WeakPolarHBondContact O-CB 3.49Å; M102-A108 HydrophobicContact CE-CB 4.16Å; A108-F110 HydrophobicContact CB-CD2 4.37Å; A108-F110 HydrophobicContact CB-CE2 3.58Å; A108-F110 HydrophobicContact CB-CZ 3.84Å; A108-I137 PolarHBondContact N-O 2.95Å; A108-I137 PolarHBondContact O-N 2.98Å |
| 109 | R | 98.3 | Very high | 97.5 | Very high | 88 Ų | 88 | 38.5 Ų | 38.5 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 141 | 167.9 | -89.5 | 166 | -171.7 | 157.7 | 5.9 | 109.5 | M29 K40 D41 I43 L134 F135 E136 | M29-R109 HydrophobicContact CE-CB 4.41Å; M29-R109 WeakPolarHBondContact CE-O 3.42Å; K40-R109 CarbonylContact C-O 3.57Å; K40-R109 WeakPolarHBondContact CA-O 3.4Å; D41-R109 HydrophobicContact CB-CB 4.16Å; D41-R109 PolarHBondContact N-O 3.34Å; D41-R109 PolarHBondContact O-N 3.45Å; I43-R109 HydrophobicContact CD1-CB 4.42Å; I43-R109 HydrophobicContact CD1-CG 3.7Å; I43-R109 HydrophobicContact CG1-CG 4.42Å; R109-L134 HydrophobicContact CG-CD2 4.45Å; R109-F135 CarbonylContact C-O 3.49Å; R109-F135 WeakPolarHBondContact CA-O 3.43Å; R109-E136 HydrophobicContact CG-CG 3.69Å; R109-E136 IonicContact CZ-OE1 3.22Å; R109-E136 IonicContact NE-OE1 2.94Å; R109-E136 PolarHBondContact NE-OE1 3.47Å; R109-E136 IonicContact NH2-OE1 3.39Å; R109-E136 PolarHBondContact NH2-OE1 3.34Å |
| 110 | F | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138 | 176 | -61.8 | -92.1 | 0 | 0 | 0 | 111 | I32 V38 L39 K40 G98 M102 A108 F112 L134 F135 I137 | I32-F110 HydrophobicContact CD1-CD1 4.39Å; I32-F110 HydrophobicContact CD1-CE1 4.03Å; V38-F110 HydrophobicContact CG1-CD1 4.43Å; L39-F110 CarbonylContact O-C 3.44Å; L39-F110 WeakPolarHBondContact O-CA 3.08Å; K40-F110 HydrophobicContact CB-CD1 3.91Å; K40-F110 HydrophobicContact CB-CE1 3.77Å; K40-F110 HydrophobicContact CD-CE1 3.67Å; K40-F110 HydrophobicContact CD-CZ 4.01Å; K40-F110 HydrophobicContact CG-CD1 4.04Å; K40-F110 HydrophobicContact CG-CE1 3.5Å; K40-F110 VanDerWaalsContact CG-CE1 3.5Å; K40-F110 HydrophobicContact CG-CZ 3.95Å; G98-F110 VanDerWaalsContact CA-CE1 3.47Å; M102-F110 HydrophobicContact CG-CZ 3.93Å; M102-F110 HydrophobicContact SD-CE2 3.84Å; M102-F110 HydrophobicContact SD-CZ 3.83Å; A108-F110 HydrophobicContact CB-CD2 4.37Å; A108-F110 HydrophobicContact CB-CE2 3.58Å; A108-F110 HydrophobicContact CB-CZ 3.84Å; F110-F112 HydrophobicContact CB-CD1 4.02Å; F110-F112 HydrophobicContact CB-CE1 3.27Å; F110-F112 HydrophobicContact CB-CE2 4.36Å; F110-F112 HydrophobicContact CB-CZ 3.47Å; F110-F112 VanDerWaalsContact CB-CZ 3.47Å; F110-F112 HydrophobicContact CD1-CE1 4.09Å; F110-F112 AromaticContact CG-CE1 3.86Å; F110-F112 HydrophobicContact CG-CE1 3.86Å; F110-F112 AromaticContact CG-CZ 3.97Å; F110-F112 HydrophobicContact CG-CZ 3.97Å; F110-L134 CarbonylContact O-C 3.57Å; F110-L134 VanDerWaalsContact O-CA 3.26Å; F110-L134 WeakPolarHBondContact O-CA 3.42Å; F110-F135 PolarHBondContact N-O 2.97Å; F110-F135 PolarHBondContact O-N 3.47Å; F110-I137 HydrophobicContact CD2-CB 4.28Å; F110-I137 HydrophobicContact CD2-CD1 3.75Å; F110-I137 HydrophobicContact CD2-CG1 4.01Å; F110-I137 HydrophobicContact CE2-CB 4.08Å; F110-I137 HydrophobicContact CE2-CD1 4.02Å; F110-I137 HydrophobicContact CE2-CG1 4.27Å |
| 111 | L | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.5 | 163.1 | -72.2 | 175.1 | 0 | 0 | 0 | 108.2 | Y22 L25 M29 L39 T132 L134 | Y22-L111 HydrophobicContact CD1-CD2 4.16Å; Y22-L111 HydrophobicContact CD2-CD2 3.78Å; Y22-L111 HydrophobicContact CE2-CD2 4.2Å; Y22-L111 HydrophobicContact CG-CD2 3.75Å; Y22-L111 WeakPolarHBondContact O-CD1 3.39Å; L25-L111 HydrophobicContact CB-CD1 4.13Å; M29-L111 HydrophobicContact CE-CB 4.5Å; M29-L111 HydrophobicContact CE-CG 4.21Å; M29-L111 HydrophobicContact SD-CB 4.31Å; M29-L111 HydrophobicContact SD-CD1 3.53Å; M29-L111 VanDerWaalsContact SD-CD1 3.53Å; M29-L111 HydrophobicContact SD-CG 3.72Å; L39-L111 HydrophobicContact CB-CB 4.26Å; L39-L111 PolarHBondContact N-O 3.45Å; L39-L111 PolarHBondContact O-N 3.41Å; L111-T132 HydrophobicContact CB-CG2 4.44Å; L111-T132 HydrophobicContact CD2-CG2 4.24Å; L111-L134 HydrophobicContact CD2-CB 3.8Å; L111-L134 HydrophobicContact CD2-CD1 4Å; L111-L134 HydrophobicContact CD2-CG 4.19Å |
| 112 | F | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 115.1 | 174.7 | -53.3 | -37.7 | 0 | 0 | 0 | 108.9 | V38 L92 G94 M95 F110 A117 T132 V133 F135 I137 | V38-F112 HydrophobicContact CG1-CD1 3.83Å; V38-F112 HydrophobicContact CG1-CE1 3.76Å; V38-F112 HydrophobicContact CG2-CD1 4.39Å; L92-F112 HydrophobicContact CD2-CD2 3.92Å; L92-F112 HydrophobicContact CD2-CE2 4.08Å; G94-F112 VanDerWaalsContact C-CZ 3.42Å; G94-F112 WeakPolarHBondContact O-CE1 3.42Å; G94-F112 WeakPolarHBondContact O-CZ 3.43Å; M95-F112 HydrophobicContact CB-CE2 4.14Å; M95-F112 HydrophobicContact CB-CZ 4.26Å; F110-F112 HydrophobicContact CB-CD1 4.02Å; F110-F112 HydrophobicContact CB-CE1 3.27Å; F110-F112 HydrophobicContact CB-CE2 4.36Å; F110-F112 HydrophobicContact CB-CZ 3.47Å; F110-F112 VanDerWaalsContact CB-CZ 3.47Å; F110-F112 HydrophobicContact CD1-CE1 4.09Å; F110-F112 AromaticContact CG-CE1 3.86Å; F110-F112 HydrophobicContact CG-CE1 3.86Å; F110-F112 AromaticContact CG-CZ 3.97Å; F110-F112 HydrophobicContact CG-CZ 3.97Å; F112-A117 HydrophobicContact CB-CB 3.98Å; F112-T132 WeakPolarHBondContact O-CA 3.38Å; F112-T132 WeakPolarHBondContact O-CG2 3.39Å; F112-V133 HydrophobicContact CB-CG2 3.92Å; F112-V133 HydrophobicContact CD2-CG2 4.13Å; F112-V133 PolarHBondContact N-O 3.29Å; F112-V133 PolarHBondContact O-N 3.11Å; F112-V133 VanDerWaalsContact O-N 3.07Å; F112-F135 HydrophobicContact CD2-CB 4.47Å; F112-F135 AromaticContact CD2-CD2 3.46Å; F112-F135 HydrophobicContact CD2-CD2 3.46Å; F112-F135 VanDerWaalsContact CD2-CD2 3.46Å; F112-F135 AromaticContact CD2-CE2 3.97Å; F112-F135 HydrophobicContact CD2-CE2 3.97Å; F112-F135 HydrophobicContact CD2-CG 4.21Å; F112-F135 HydrophobicContact CE2-CB 3.75Å; F112-F135 AromaticContact CE2-CD2 3.4Å; F112-F135 HydrophobicContact CE2-CD2 3.4Å; F112-F135 VanDerWaalsContact CE2-CD2 3.4Å; F112-F135 HydrophobicContact CE2-CE2 4.12Å; F112-F135 AromaticContact CE2-CG 3.67Å; F112-F135 HydrophobicContact CE2-CG 3.67Å; F112-F135 HydrophobicContact CZ-CB 4.24Å; F112-I137 HydrophobicContact CZ-CD1 4.22Å |
| 113 | K | 97.7 | Very high | 96.9 | Very high | 65 Ų | 65 | 49 Ų | 49 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | trans | -64.7 | 160.1 | 170.5 | -67.1 | -59.6 | -174.9 | -179.2 | 0 | 110.3 | R36 G37 N115 Y116 A117 T132 | R36-K113 WeakPolarHBondContact O-CG 3.42Å; G37-K113 WeakPolarHBondContact O-CB 3.48Å; G37-K113 PolarHBondContact O-N 3.16Å; K113-N115 VanDerWaalsContact C-N 3.25Å; K113-N115 PolarHBondContact O-N 2.87Å; K113-N115 VanDerWaalsContact O-N 3.09Å; K113-Y116 CarbonylContact O-C 3.59Å; K113-Y116 WeakPolarHBondContact O-CA 3.4Å; K113-Y116 PolarHBondContact O-N 3.07Å; K113-A117 PolarHBondContact O-N 3.18Å; K113-T132 HydrophobicContact CD-CG2 4.16Å; K113-T132 WeakPolarHBondContact CD-OG1 3.44Å | ||
| 114 | P | 97.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 14% | 0.136 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -52.8 | -40.6 | -171.4 | -28.5 | 35.3 | 0 | 0 | 0 | 114.1 | Y116 A117 Y118 G119 N130 | P114-Y116 PolarHBondContact O-N 3.1Å; P114-A117 CarbonylContact O-C 3.59Å; P114-A117 PolarHBondContact O-N 2.88Å; P114-Y118 PolarHBondContact O-N 2.92Å; P114-G119 VanDerWaalsContact O-CA 3.22Å; P114-G119 WeakPolarHBondContact O-CA 3.32Å; P114-G119 PolarHBondContact O-N 3.42Å; P114-N130 HydrophobicContact CG-CB 4.41Å; P114-N130 VanDerWaalsContact CG-O 3.24Å; P114-N130 WeakPolarHBondContact CG-O 3.3Å |
| 115 | N | 96.4 | Very high | 96.2 | Very high | 126 Ų | 126 | 49.4 Ų | 49.4 | 67% | 0.674 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -64.1 | -20.6 | 179.7 | -64.9 | -10.9 | 0 | 0 | 0 | 114.1 | K113 | K113-N115 VanDerWaalsContact C-N 3.25Å; K113-N115 PolarHBondContact O-N 2.87Å; K113-N115 VanDerWaalsContact O-N 3.09Å |
| 116 | Y | 97.5 | Very high | 95.9 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 18% | 0.176 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -104.9 | 3.2 | 175.4 | -70.1 | -85.6 | 0 | 0 | 0 | 112.6 | D35 V38 G94 L97 K113 P114 | D35-Y116 PolarHBondContact OD1-OH 3.03Å; D35-Y116 WeakPolarHBondContact OD2-CE2 3.32Å; D35-Y116 PolarHBondContact OD2-OH 3.45Å; V38-Y116 HydrophobicContact CG2-CD1 3.55Å; V38-Y116 HydrophobicContact CG2-CD2 4.13Å; V38-Y116 HydrophobicContact CG2-CE1 4.1Å; V38-Y116 HydrophobicContact CG2-CG 3.56Å; G94-Y116 WeakPolarHBondContact CA-O 3.44Å; G94-Y116 PolarHBondContact N-O 3.33Å; L97-Y116 HydrophobicContact CD1-CD1 3.77Å; L97-Y116 HydrophobicContact CD1-CE1 3.49Å; L97-Y116 VanDerWaalsContact CD1-CE1 3.49Å; K113-Y116 CarbonylContact O-C 3.59Å; K113-Y116 WeakPolarHBondContact O-CA 3.4Å; K113-Y116 PolarHBondContact O-N 3.07Å; P114-Y116 PolarHBondContact O-N 3.1Å |
| 117 | A | 96.2 | Very high | 95.7 | Very high | 21 Ų | 21 | 53.4 Ų | 53.4 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -112.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | L92 F112 K113 P114 V133 | L92-A117 HydrophobicContact CD1-CB 4.4Å; F112-A117 HydrophobicContact CB-CB 3.98Å; K113-A117 PolarHBondContact O-N 3.18Å; P114-A117 CarbonylContact O-C 3.59Å; P114-A117 PolarHBondContact O-N 2.88Å; A117-V133 HydrophobicContact CB-CG2 3.66Å |
| 118 | Y | 96.1 | Very high | 95.5 | Very high | 62 Ų | 62 | 55.4 Ų | 55.4 | 24% | 0.243 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 7.3 | -173.3 | -57.6 | -83.8 | 0 | 0 | 0 | 113.7 | F72 L92 P114 G122 C123 I127 V133 | F72-Y118 HydrophobicContact CE2-CE2 4.14Å; F72-Y118 WeakPolarHBondContact CE2-OH 3.29Å; F72-Y118 HydrophobicContact CZ-CE2 4.11Å; L92-Y118 HydrophobicContact CD1-CE1 4.25Å; L92-Y118 HydrophobicContact CD1-CE2 4.23Å; P114-Y118 PolarHBondContact O-N 2.92Å; Y118-G122 WeakPolarHBondContact O-CA 3.11Å; Y118-G122 PolarHBondContact O-N 3.21Å; Y118-C123 HydrophobicContact CD1-CB 3.97Å; Y118-C123 HydrophobicContact CE1-CB 4.41Å; Y118-I127 HydrophobicContact CD1-CD1 3.97Å; Y118-I127 HydrophobicContact CD2-CD1 3.64Å; Y118-I127 HydrophobicContact CD2-CG1 4.4Å; Y118-I127 HydrophobicContact CD2-CG2 3.83Å; Y118-I127 HydrophobicContact CE1-CD1 3.72Å; Y118-I127 HydrophobicContact CE2-CD1 3.37Å; Y118-I127 HydrophobicContact CE2-CG1 4.39Å; Y118-I127 HydrophobicContact CG-CD1 3.93Å; Y118-I127 HydrophobicContact CG-CG2 4.07Å; Y118-I127 VanDerWaalsContact CZ-CD1 3.4Å; Y118-V133 HydrophobicContact CD2-CG1 4.21Å; Y118-V133 HydrophobicContact CE2-CG1 4.23Å; Y118-V133 HydrophobicContact CE2-CG2 4.39Å |
| 119 | G | 95.4 | Very high | 95.4 | Very high | 18 Ų | 18 | 58.9 Ų | 58.9 | 19% | 0.186 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | -156.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | P114 L121 N130 | P114-G119 VanDerWaalsContact O-CA 3.22Å; P114-G119 WeakPolarHBondContact O-CA 3.32Å; P114-G119 PolarHBondContact O-N 3.42Å; G119-L121 VanDerWaalsContact C-N 3.27Å; G119-L121 PolarHBondContact O-N 3.22Å; G119-N130 PolarHBondContact O-N 3.46Å |
| 120 | T | 96.2 | Very high | 95.3 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 57% | 0.571 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -19.3 | -178.9 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | P129 N130 | T120-P129 WeakPolarHBondContact O-CB 3.31Å; T120-N130 WeakPolarHBondContact CA-OD1 3.17Å; T120-N130 WeakPolarHBondContact CG2-OD1 3.18Å |
| 121 | L | 94.2 | Very high | 95.2 | Very high | 139 Ų | 139 | 60.8 Ų | 60.8 | 73% | 0.728 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -26.1 | 179.6 | -63 | 177.5 | 0 | 0 | 0 | 112.4 | G119 | G119-L121 VanDerWaalsContact C-N 3.27Å; G119-L121 PolarHBondContact O-N 3.22Å |
| 122 | G | 94.1 | Very high | 95.1 | Very high | 14 Ų | 14 | 62 Ų | 62 | 14% | 0.144 | 36% | 0.361 | C | S | . | . | trans | 66.8 | -153.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y118 I127 P128 | Y118-G122 WeakPolarHBondContact O-CA 3.11Å; Y118-G122 PolarHBondContact O-N 3.21Å; G122-I127 CarbonylContact C-O 3.57Å; G122-I127 WeakPolarHBondContact CA-O 3.37Å; G122-P128 WeakPolarHBondContact CA-O 3.49Å | ||
| 123 | C | 92.7 | Very high | 95.1 | Very high | 55 Ų | 55 | 62 Ų | 62 | 37% | 0.372 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -138.7 | 77.9 | 171.3 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | Y118 L126 I127 | Y118-C123 HydrophobicContact CD1-CB 3.97Å; Y118-C123 HydrophobicContact CE1-CB 4.41Å; C123-L126 PolarHBondContact O-N 2.93Å; C123-I127 CarbonylContact C-O 3.58Å; C123-I127 HydrophobicContact CB-CB 3.98Å; C123-I127 HydrophobicContact CB-CD1 3.82Å; C123-I127 HydrophobicContact CB-CG1 4.41Å; C123-I127 PolarHBondContact N-O 3.22Å; C123-I127 PolarHBondContact O-N 2.88Å |
| 124 | P | 88.6 | Confident | 95.1 | Very high | 100 Ų | 100 | 59.6 Ų | 59.6 | 65% | 0.649 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 145.5 | -176.6 | -24 | 35.1 | 0 | 0 | 0 | 112.9 | L126 | P124-L126 VanDerWaalsContact C-N 3.35Š|
| 125 | P | 90.8 | Very high | 95.1 | Very high | 131 Ų | 131 | 58.7 Ų | 58.7 | 85% | 0.851 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.5 | 0.6 | -1.8 | 35.9 | -36.3 | 0 | 0 | 0 | 113.8 | ||
| 126 | L | 91.4 | Very high | 95.2 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 57% | 0.571 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -45.6 | -167.9 | -68.3 | 170.5 | 0 | 0 | 0 | 113 | L65 C123 P124 | L65-L126 WeakPolarHBondContact CD1-O 3.39Å; C123-L126 PolarHBondContact O-N 2.93Å; P124-L126 VanDerWaalsContact C-N 3.35Å |
| 127 | I | 94.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -120.6 | 119.2 | -174.1 | -62.3 | 149.3 | 0 | 0 | 0 | 108.7 | L65 F72 Y118 G122 C123 T131 | L65-I127 HydrophobicContact CD2-CG1 4.4Å; L65-I127 HydrophobicContact CD2-CG2 4.44Å; F72-I127 HydrophobicContact CD2-CD1 3.86Å; F72-I127 HydrophobicContact CD2-CG1 4.24Å; F72-I127 HydrophobicContact CE2-CD1 3.79Å; F72-I127 HydrophobicContact CE2-CG1 4.43Å; F72-I127 HydrophobicContact CG-CG1 4.42Å; F72-I127 HydrophobicContact CZ-CD1 4.35Å; Y118-I127 HydrophobicContact CD1-CD1 3.97Å; Y118-I127 HydrophobicContact CD2-CD1 3.64Å; Y118-I127 HydrophobicContact CD2-CG1 4.4Å; Y118-I127 HydrophobicContact CD2-CG2 3.83Å; Y118-I127 HydrophobicContact CE1-CD1 3.72Å; Y118-I127 HydrophobicContact CE2-CD1 3.37Å; Y118-I127 HydrophobicContact CE2-CG1 4.39Å; Y118-I127 HydrophobicContact CG-CD1 3.93Å; Y118-I127 HydrophobicContact CG-CG2 4.07Å; Y118-I127 VanDerWaalsContact CZ-CD1 3.4Å; G122-I127 CarbonylContact C-O 3.57Å; G122-I127 WeakPolarHBondContact CA-O 3.37Å; C123-I127 CarbonylContact C-O 3.58Å; C123-I127 HydrophobicContact CB-CB 3.98Å; C123-I127 HydrophobicContact CB-CD1 3.82Å; C123-I127 HydrophobicContact CB-CG1 4.41Å; C123-I127 PolarHBondContact N-O 3.22Å; C123-I127 PolarHBondContact O-N 2.88Å; I127-T131 HydrophobicContact CG2-CG2 4.42Å |
| 128 | P | 94.9 | Very high | 95.3 | Very high | 71 Ų | 71 | 53 Ų | 53 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | trans | -65.8 | 159.9 | 176.7 | -20.8 | 32.4 | 0 | 0 | 0 | 113.4 | G122 T131 | G122-P128 WeakPolarHBondContact CA-O 3.49Å; P128-T131 WeakPolarHBondContact CB-OG1 3.49Å; P128-T131 WeakPolarHBondContact O-CB 3.41Å; P128-T131 PolarHBondContact O-OG1 3.18Å | ||
| 129 | P | 96.7 | Very high | 95.4 | Very high | 74 Ų | 74 | 50 Ų | 50 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.5 | 143.1 | 163.8 | -35.6 | 41.8 | 0 | 0 | 0 | 114.1 | T120 T131 | T120-P129 WeakPolarHBondContact O-CB 3.31Å; P129-T131 PolarHBondContact O-N 2.77Å; P129-T131 PolarHBondContact O-OG1 2.89Å |
| 130 | N | 96 | Very high | 95.3 | Very high | 99 Ų | 99 | 51.7 Ų | 51.7 | 53% | 0.529 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 34.4 | 171.5 | -62.2 | -50.7 | 0 | 0 | 0 | 114.7 | P114 G119 T120 | P114-N130 HydrophobicContact CG-CB 4.41Å; P114-N130 VanDerWaalsContact CG-O 3.24Å; P114-N130 WeakPolarHBondContact CG-O 3.3Å; G119-N130 PolarHBondContact O-N 3.46Å; T120-N130 WeakPolarHBondContact CA-OD1 3.17Å; T120-N130 WeakPolarHBondContact CG2-OD1 3.18Å |
| 131 | T | 95.8 | Very high | 95.2 | Very high | 28 Ų | 28 | 48.4 Ų | 48.4 | 17% | 0.172 | 28% | 0.284 | C | S | . | . | trans | -91.6 | 131.5 | -175.9 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | L65 I127 P128 P129 V133 | L65-T131 HydrophobicContact CD2-CG2 3.57Å; I127-T131 HydrophobicContact CG2-CG2 4.42Å; P128-T131 WeakPolarHBondContact CB-OG1 3.49Å; P128-T131 WeakPolarHBondContact O-CB 3.41Å; P128-T131 PolarHBondContact O-OG1 3.18Å; P129-T131 PolarHBondContact O-N 2.77Å; P129-T131 PolarHBondContact O-OG1 2.89Å; T131-V133 HydrophobicContact CG2-CG1 4.2Å | ||
| 132 | T | 97.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 42.8 Ų | 42.8 | 17% | 0.166 | 25% | 0.254 | C | S | . | . | trans | -80.4 | 131.7 | 165.1 | -60.2 | 0 | 0 | 0 | 0 | 108.7 | Y22 L111 F112 K113 | Y22-T132 HydrophobicContact CD2-CG2 4.17Å; L111-T132 HydrophobicContact CB-CG2 4.44Å; L111-T132 HydrophobicContact CD2-CG2 4.24Å; F112-T132 WeakPolarHBondContact O-CA 3.38Å; F112-T132 WeakPolarHBondContact O-CG2 3.39Å; K113-T132 HydrophobicContact CD-CG2 4.16Å; K113-T132 WeakPolarHBondContact CD-OG1 3.44Å | ||
| 133 | V | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 145.2 | -179.1 | -64.1 | 0 | 0 | 0 | 0 | 110.6 | L65 F72 F112 A117 Y118 T131 F135 | L65-V133 HydrophobicContact CD2-CG1 4.08Å; F72-V133 HydrophobicContact CE1-CB 4.14Å; F72-V133 HydrophobicContact CE1-CG1 3.98Å; F72-V133 HydrophobicContact CZ-CB 4.19Å; F72-V133 HydrophobicContact CZ-CG1 4.07Å; F112-V133 HydrophobicContact CB-CG2 3.92Å; F112-V133 HydrophobicContact CD2-CG2 4.13Å; F112-V133 PolarHBondContact N-O 3.29Å; F112-V133 PolarHBondContact O-N 3.11Å; F112-V133 VanDerWaalsContact O-N 3.07Å; A117-V133 HydrophobicContact CB-CG2 3.66Å; Y118-V133 HydrophobicContact CD2-CG1 4.21Å; Y118-V133 HydrophobicContact CE2-CG1 4.23Å; Y118-V133 HydrophobicContact CE2-CG2 4.39Å; T131-V133 HydrophobicContact CG2-CG1 4.2Å; V133-F135 HydrophobicContact CB-CD2 4.45Å; V133-F135 HydrophobicContact CB-CE2 4.2Å; V133-F135 HydrophobicContact CG2-CD2 3.97Å; V133-F135 HydrophobicContact CG2-CE2 3.68Å |
| 134 | L | 98 | Very high | 94.9 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.073 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.3 | 173.3 | -177.2 | 145.6 | 0 | 0 | 0 | 109.4 | Y22 L25 G63 Y64 R109 F110 L111 E136 | Y22-L134 HydrophobicContact CE1-CB 4.01Å; Y22-L134 HydrophobicContact CE1-CD1 3.99Å; Y22-L134 HydrophobicContact CE2-CB 3.99Å; Y22-L134 VanDerWaalsContact OH-CB 3.31Å; Y22-L134 WeakPolarHBondContact OH-CB 3.25Å; L25-L134 HydrophobicContact CD1-CD1 3.97Å; G63-L134 CarbonylContact C-O 3.52Å; G63-L134 VanDerWaalsContact CA-O 3.31Å; G63-L134 WeakPolarHBondContact CA-O 3.29Å; Y64-L134 HydrophobicContact CD2-CD2 3.86Å; Y64-L134 PolarHBondContact N-O 3.1Å; Y64-L134 PolarHBondContact O-N 2.91Å; R109-L134 HydrophobicContact CG-CD2 4.45Å; F110-L134 CarbonylContact O-C 3.57Å; F110-L134 VanDerWaalsContact O-CA 3.26Å; F110-L134 WeakPolarHBondContact O-CA 3.42Å; L111-L134 HydrophobicContact CD2-CB 3.8Å; L111-L134 HydrophobicContact CD2-CD1 4Å; L111-L134 HydrophobicContact CD2-CG 4.19Å; L134-E136 HydrophobicContact CD2-CG 4.03Å |
| 135 | F | 98.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.4 | 171.6 | -85.3 | -98.8 | 0 | 0 | 0 | 110.6 | Y61 S62 F72 L92 R109 F110 F112 V133 I137 | Y61-F135 AromaticContact CD2-CD1 3.88Å; Y61-F135 HydrophobicContact CD2-CD1 3.88Å; Y61-F135 AromaticContact CD2-CE1 3.71Å; Y61-F135 HydrophobicContact CD2-CE1 3.71Å; Y61-F135 AromaticContact CE2-CE1 3.98Å; Y61-F135 HydrophobicContact CE2-CE1 3.98Å; S62-F135 CarbonylContact O-C 3.58Å; S62-F135 WeakPolarHBondContact O-CA 3.47Å; F72-F135 HydrophobicContact CE2-CE2 4.48Å; F72-F135 HydrophobicContact CE2-CZ 4.01Å; F72-F135 AromaticContact CZ-CE2 3.72Å; F72-F135 HydrophobicContact CZ-CE2 3.72Å; F72-F135 AromaticContact CZ-CZ 3.67Å; F72-F135 HydrophobicContact CZ-CZ 3.67Å; L92-F135 HydrophobicContact CD2-CD2 4.41Å; L92-F135 HydrophobicContact CD2-CE2 3.67Å; L92-F135 HydrophobicContact CD2-CZ 3.76Å; R109-F135 CarbonylContact C-O 3.49Å; R109-F135 WeakPolarHBondContact CA-O 3.43Å; F110-F135 PolarHBondContact N-O 2.97Å; F110-F135 PolarHBondContact O-N 3.47Å; F112-F135 HydrophobicContact CD2-CB 4.47Å; F112-F135 AromaticContact CD2-CD2 3.46Å; F112-F135 HydrophobicContact CD2-CD2 3.46Å; F112-F135 VanDerWaalsContact CD2-CD2 3.46Å; F112-F135 AromaticContact CD2-CE2 3.97Å; F112-F135 HydrophobicContact CD2-CE2 3.97Å; F112-F135 HydrophobicContact CD2-CG 4.21Å; F112-F135 HydrophobicContact CE2-CB 3.75Å; F112-F135 AromaticContact CE2-CD2 3.4Å; F112-F135 HydrophobicContact CE2-CD2 3.4Å; F112-F135 VanDerWaalsContact CE2-CD2 3.4Å; F112-F135 HydrophobicContact CE2-CE2 4.12Å; F112-F135 AromaticContact CE2-CG 3.67Å; F112-F135 HydrophobicContact CE2-CG 3.67Å; F112-F135 HydrophobicContact CZ-CB 4.24Å; V133-F135 HydrophobicContact CB-CD2 4.45Å; V133-F135 HydrophobicContact CB-CE2 4.2Å; V133-F135 HydrophobicContact CG2-CD2 3.97Å; V133-F135 HydrophobicContact CG2-CE2 3.68Å; F135-I137 HydrophobicContact CB-CD1 4.13Å; F135-I137 HydrophobicContact CB-CG1 3.97Å |
| 136 | E | 98.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 32.1 Ų | 32.1 | 20% | 0.201 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 120.9 | 161.8 | -64.8 | -167.1 | 158.8 | 0 | 0 | 108 | Y61 S62 Y64 R109 L134 | Y61-E136 CarbonylContact C-O 3.6Å; Y61-E136 WeakPolarHBondContact CA-O 3.48Å; Y61-E136 WeakPolarHBondContact CB-O 3.33Å; S62-E136 PolarHBondContact N-O 3.07Å; S62-E136 PolarHBondContact O-N 3.04Å; Y64-E136 HydrophobicContact CE2-CG 4.31Å; R109-E136 HydrophobicContact CG-CG 3.69Å; R109-E136 IonicContact CZ-OE1 3.22Å; R109-E136 IonicContact NE-OE1 2.94Å; R109-E136 PolarHBondContact NE-OE1 3.47Å; R109-E136 IonicContact NH2-OE1 3.39Å; R109-E136 PolarHBondContact NH2-OE1 3.34Å; L134-E136 HydrophobicContact CD2-CG 4.03Å |
| 137 | I | 98.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.4 | -175.4 | -53.1 | 179.6 | 0 | 0 | 0 | 109.1 | K60 M95 L99 M102 L107 A108 F110 F112 F135 | K60-I137 CarbonylContact O-C 3.6Å; K60-I137 WeakPolarHBondContact O-CA 3.31Å; M95-I137 HydrophobicContact CE-CD1 4.38Å; M95-I137 HydrophobicContact CG-CD1 3.89Å; L99-I137 HydrophobicContact CD2-CG2 3.89Å; M102-I137 HydrophobicContact CE-CG2 4.47Å; M102-I137 WeakPolarHBondContact CE-O 3.34Å; M102-I137 HydrophobicContact SD-CB 4.39Å; M102-I137 HydrophobicContact SD-CG2 4.04Å; L107-I137 WeakPolarHBondContact CA-O 3.45Å; A108-I137 PolarHBondContact N-O 2.95Å; A108-I137 PolarHBondContact O-N 2.98Å; F110-I137 HydrophobicContact CD2-CB 4.28Å; F110-I137 HydrophobicContact CD2-CD1 3.75Å; F110-I137 HydrophobicContact CD2-CG1 4.01Å; F110-I137 HydrophobicContact CE2-CB 4.08Å; F110-I137 HydrophobicContact CE2-CD1 4.02Å; F110-I137 HydrophobicContact CE2-CG1 4.27Å; F112-I137 HydrophobicContact CZ-CD1 4.22Å; F135-I137 HydrophobicContact CB-CD1 4.13Å; F135-I137 HydrophobicContact CB-CG1 3.97Å |
| 138 | E | 97.8 | Very high | 94.2 | Very high | 30 Ų | 30 | 28 Ų | 28 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 114.5 | 170.1 | -169 | -178.9 | -157 | 0 | 0 | 109.1 | R44 V59 K60 E106 L107 L140 | R44-E138 IonicContact CZ-OE1 2.97Å; R44-E138 IonicContact NH1-OE1 2.77Å; R44-E138 IonicContact NH2-OE1 3.87Å; R44-E138 PolarHBondContact NH2-OE1 3.48Å; V59-E138 CarbonylContact C-O 3.51Å; V59-E138 WeakPolarHBondContact CA-O 3.41Å; K60-E138 HydrophobicContact CB-CB 4.23Å; K60-E138 PolarHBondContact N-O 3.2Å; K60-E138 PolarHBondContact O-N 2.92Å; E106-E138 CarbonylContact O-C 3.57Å; E106-E138 WeakPolarHBondContact O-CA 3.25Å; L107-E138 HydrophobicContact CD1-CB 3.84Å; L107-E138 HydrophobicContact CD1-CG 4.42Å; E138-L140 HydrophobicContact CG-CD2 3.85Å; E138-L140 PolarHBondContact O-N 2.97Å |
| 139 | L | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 102.3 | 173.2 | 177.7 | 61.3 | 0 | 0 | 0 | 109.1 | V51 V57 V59 L99 M102 R103 G105 E106 F142 | V51-L139 HydrophobicContact CG2-CD1 4.4Å; V51-L139 HydrophobicContact CG2-CD2 3.26Å; V51-L139 HydrophobicContact CG2-CG 4.47Å; V57-L139 HydrophobicContact CB-CD1 4.14Å; V57-L139 HydrophobicContact CG1-CD1 4.33Å; V59-L139 HydrophobicContact CG1-CD1 3.88Å; L99-L139 HydrophobicContact CD2-CD1 4.34Å; M102-L139 HydrophobicContact CB-CB 4.32Å; M102-L139 HydrophobicContact CB-CD2 3.65Å; M102-L139 HydrophobicContact CE-CB 3.72Å; M102-L139 HydrophobicContact SD-CB 4.21Å; R103-L139 WeakPolarHBondContact O-CD2 3.44Å; G105-L139 CarbonylContact C-O 3.59Å; G105-L139 WeakPolarHBondContact CA-O 3.37Å; G105-L139 PolarHBondContact N-O 3.24Å; E106-L139 PolarHBondContact O-N 3.4Å; L139-F142 HydrophobicContact CD2-CD1 4.28Å |
| 140 | L | 94.6 | Very high | 93.6 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 27% | 0.272 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | -46.2 | -177 | -60.5 | 175.7 | 0 | 0 | 0 | 112.1 | L58 K60 P81 E138 | L58-L140 HydrophobicContact CB-CB 4.36Å; L58-L140 HydrophobicContact CD2-CB 3.96Å; L58-L140 HydrophobicContact CD2-CD1 4.13Å; L58-L140 HydrophobicContact CG-CB 4.16Å; L58-L140 HydrophobicContact CG-CD1 4.16Å; L58-L140 WeakPolarHBondContact O-CB 3.43Å; L58-L140 PolarHBondContact O-N 3.06Å; K60-L140 HydrophobicContact CD-CD1 4.23Å; K60-L140 HydrophobicContact CG-CD1 3.98Å; P81-L140 HydrophobicContact CB-CD1 4.46Å; P81-L140 HydrophobicContact CG-CD1 3.73Å; E138-L140 HydrophobicContact CG-CD2 3.85Å; E138-L140 PolarHBondContact O-N 2.97Å |
| 141 | D | 93.1 | Very high | 93.3 | Very high | 24 Ų | 24 | 25.3 Ų | 25.3 | 13% | 0.128 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 164.2 | -176.8 | -151.1 | -9.5 | 0 | 0 | 0 | 109.9 | L58 R104 R183 | L58-D141 HydrophobicContact CB-CB 4.16Å; L58-D141 WeakPolarHBondContact CB-O 3.47Å; L58-D141 HydrophobicContact CD2-CB 4.27Å; L58-D141 PolarHBondContact N-O 3.09Å; L58-D141 PolarHBondContact O-N 3.38Å; R104-D141 IonicContact CZ-OD1 2.85Å; R104-D141 IonicContact NE-OD1 3.81Å; R104-D141 PolarHBondContact NE-OD1 2.79Å; R104-D141 IonicContact NH2-OD1 3.12Å; R104-D141 PolarHBondContact NH2-OD1 3.35Å; D141-R183 IonicContact OD2-NH1 2.73Å; D141-R183 IonicContact OD2-NH2 3.61Å; D141-R183 PolarHBondContact OD2-NH2 3.37Å |
| 142 | F | 93.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 26.4 Ų | 26.4 | 10% | 0.096 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 152.6 | 169.2 | 69.1 | -89.8 | 0 | 0 | 0 | 110.9 | V51 A55 S56 V57 R104 L139 | V51-F142 HydrophobicContact CG1-CD2 4.49Å; V51-F142 HydrophobicContact CG1-CG 4.43Å; V51-F142 HydrophobicContact CG2-CD1 3.86Å; V51-F142 HydrophobicContact CG2-CE1 4.17Å; V51-F142 HydrophobicContact CG2-CG 4.14Å; A55-F142 HydrophobicContact CB-CD2 4.25Å; S56-F142 CarbonylContact O-C 3.6Å; S56-F142 VanDerWaalsContact O-CA 3.3Å; S56-F142 WeakPolarHBondContact O-CA 3.47Å; V57-F142 HydrophobicContact CG1-CB 4Å; R104-F142 HydrophobicContact CB-CD1 4.46Å; R104-F142 HydrophobicContact CB-CE1 4.18Å; R104-F142 PolarHBondContact NH2-O 3.02Å; L139-F142 HydrophobicContact CD2-CD1 4.28Å |
| 143 | L | 91.2 | Very high | 92.5 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 7% | 0.068 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 124.8 | 176.4 | -60.7 | 179.4 | 0 | 0 | 0 | 109.2 | A55 S56 L83 S145 E176 F177 | A55-L143 WeakPolarHBondContact CA-O 3.28Å; S56-L143 PolarHBondContact N-O 3.17Å; S56-L143 PolarHBondContact O-N 3.37Å; L83-L143 HydrophobicContact CD2-CD1 4.14Å; L143-S145 PolarHBondContact O-N 3.31Å; L143-S145 VanDerWaalsContact O-N 3.15Å; L143-E176 HydrophobicContact CD1-CB 4.43Å; L143-E176 HydrophobicContact CD2-CB 3.78Å; L143-F177 HydrophobicContact CB-CZ 4.42Å; L143-F177 HydrophobicContact CD1-CB 4.49Å; L143-F177 HydrophobicContact CD1-CD1 3.73Å; L143-F177 HydrophobicContact CD1-CD2 4.1Å; L143-F177 HydrophobicContact CD1-CE1 3.94Å; L143-F177 HydrophobicContact CD1-CE2 4.24Å; L143-F177 HydrophobicContact CD1-CG 3.82Å; L143-F177 HydrophobicContact CD1-CZ 4.16Å |
| 144 | D | 88.9 | Confident | 92.3 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 25% | 0.251 | 18% | 0.176 | S | C | . | . | trans | -69.6 | 107 | 168.1 | 175 | 8.2 | 0 | 0 | 0 | 108.9 | A146 K169 T173 | D144-A146 PolarHBondContact OD1-N 3.01Å; D144-A146 VanDerWaalsContact OD1-N 3.11Å; D144-K169 WeakPolarHBondContact OD2-CE 3.44Å; D144-K169 IonicContact OD2-NZ 3.4Å; D144-K169 PolarHBondContact OD2-NZ 3.4Å; D144-T173 WeakPolarHBondContact O-CG2 3.38Å; D144-T173 PolarHBondContact O-OG1 2.76Å | ||
| 145 | S | 87.1 | Confident | 92 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -105.3 | -1.9 | 179.9 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | D54 S56 K85 L143 E147 S148 D149 | D54-S145 PolarHBondContact O-OG 3.23Å; D54-S145 VanDerWaalsContact O-OG 3.12Å; S56-S145 PolarHBondContact OG-OG 3.15Å; K85-S145 PolarHBondContact NZ-OG 2.96Å; L143-S145 PolarHBondContact O-N 3.31Å; L143-S145 VanDerWaalsContact O-N 3.15Å; S145-E147 PolarHBondContact O-N 3.39Å; S145-S148 CarbonylContact O-C 3.58Å; S145-S148 WeakPolarHBondContact O-CA 3.27Å; S145-S148 VanDerWaalsContact O-CB 3.3Å; S145-S148 WeakPolarHBondContact O-CB 3.44Å; S145-S148 PolarHBondContact O-N 3.05Å; S145-D149 WeakPolarHBondContact CB-OD2 3.36Å; S145-D149 PolarHBondContact O-N 3.07Å; S145-D149 VanDerWaalsContact O-OD2 3.08Å; S145-D149 PolarHBondContact OG-OD2 3.29Å | ||
| 146 | A | 86.4 | Confident | 91.5 | Very high | 16 Ų | 16 | 36 Ų | 36 | 13% | 0.132 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D144 S148 D149 K150 | D144-A146 PolarHBondContact OD1-N 3.01Å; D144-A146 VanDerWaalsContact OD1-N 3.11Å; A146-S148 VanDerWaalsContact C-N 3.32Å; A146-S148 PolarHBondContact O-N 3.04Å; A146-D149 PolarHBondContact O-N 3.38Å; A146-K150 VanDerWaalsContact O-CG 3.29Å; A146-K150 WeakPolarHBondContact O-CG 3.47Å; A146-K150 PolarHBondContact O-N 3.25Å; A146-K150 VanDerWaalsContact O-N 3.09Å |
| 147 | E | 89.6 | Confident | 91 | Very high | 25 Ų | 25 | 39.9 Ų | 39.9 | 12% | 0.117 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.6 | -29.7 | 177.4 | -68.4 | -61.2 | 110.2 | 0 | 0 | 112.5 | S145 K150 F151 Y162 K166 K169 V170 | S145-E147 PolarHBondContact O-N 3.39Å; E147-K150 WeakPolarHBondContact OE1-CD 3.38Å; E147-K150 IonicContact OE1-NZ 3.17Å; E147-K150 PolarHBondContact OE1-NZ 3.46Å; E147-F151 WeakPolarHBondContact O-CB 3.33Å; E147-F151 PolarHBondContact O-N 3.28Å; E147-Y162 PolarHBondContact OE2-OH 2.76Å; E147-K166 WeakPolarHBondContact OE2-CD 3.41Å; E147-K166 WeakPolarHBondContact OE2-CE 3.36Å; E147-K166 IonicContact OE2-NZ 3.83Å; E147-K166 PolarHBondContact OE2-NZ 3.46Å; E147-K169 HydrophobicContact CB-CD 4.35Å; E147-K169 HydrophobicContact CG-CD 4.08Å; E147-V170 HydrophobicContact CB-CG2 4.44Å |
| 148 | S | 88.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | 175 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | S145 A146 F151 C152 | S145-S148 CarbonylContact O-C 3.58Å; S145-S148 WeakPolarHBondContact O-CA 3.27Å; S145-S148 VanDerWaalsContact O-CB 3.3Å; S145-S148 WeakPolarHBondContact O-CB 3.44Å; S145-S148 PolarHBondContact O-N 3.05Å; A146-S148 VanDerWaalsContact C-N 3.32Å; A146-S148 PolarHBondContact O-N 3.04Å; S148-F151 WeakPolarHBondContact O-CB 3.44Å; S148-F151 PolarHBondContact O-N 3.37Å; S148-C152 PolarHBondContact O-N 3.42Å; S148-C152 PolarHBondContact O-SG 3.28Å |
| 149 | D | 87.8 | Confident | 90.2 | Very high | 64 Ų | 64 | 45.2 Ų | 45.2 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.5 | -41.3 | -177.4 | -58.7 | -35.5 | 0 | 0 | 0 | 111.6 | K85 S145 A146 F151 C152 A153 | K85-D149 IonicContact NZ-OD2 2.75Å; K85-D149 PolarHBondContact NZ-OD2 3.15Å; S145-D149 WeakPolarHBondContact CB-OD2 3.36Å; S145-D149 PolarHBondContact O-N 3.07Å; S145-D149 VanDerWaalsContact O-OD2 3.08Å; S145-D149 PolarHBondContact OG-OD2 3.29Å; A146-D149 PolarHBondContact O-N 3.38Å; D149-F151 VanDerWaalsContact C-N 3.3Å; D149-F151 PolarHBondContact O-N 3.49Å; D149-C152 PolarHBondContact O-N 2.85Å; D149-C152 VanDerWaalsContact O-N 3.16Å; D149-A153 PolarHBondContact O-N 2.81Å |
| 150 | K | 89.5 | Confident | 89.6 | Confident | 110 Ų | 110 | 50.8 Ų | 50.8 | 48% | 0.478 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.6 | -49.2 | 168.8 | -71.1 | 173.2 | -162.8 | 169.2 | 0 | 110.9 | A146 E147 C152 A153 L154 | A146-K150 VanDerWaalsContact O-CG 3.29Å; A146-K150 WeakPolarHBondContact O-CG 3.47Å; A146-K150 PolarHBondContact O-N 3.25Å; A146-K150 VanDerWaalsContact O-N 3.09Å; E147-K150 WeakPolarHBondContact OE1-CD 3.38Å; E147-K150 IonicContact OE1-NZ 3.17Å; E147-K150 PolarHBondContact OE1-NZ 3.46Å; K150-C152 VanDerWaalsContact C-N 3.33Å; K150-C152 PolarHBondContact O-N 2.97Å; K150-A153 PolarHBondContact O-N 2.99Å; K150-L154 WeakPolarHBondContact O-CG 3.22Å; K150-L154 PolarHBondContact O-N 3.02Å |
| 151 | F | 90.2 | Very high | 89.3 | Confident | 13 Ų | 13 | 56 Ų | 56 | 6% | 0.057 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 179.2 | -178.4 | -89.8 | 0 | 0 | 0 | 112.7 | E147 S148 D149 A153 L154 Q159 Y162 V167 V170 L200 | E147-F151 WeakPolarHBondContact O-CB 3.33Å; E147-F151 PolarHBondContact O-N 3.28Å; S148-F151 WeakPolarHBondContact O-CB 3.44Å; S148-F151 PolarHBondContact O-N 3.37Å; D149-F151 VanDerWaalsContact C-N 3.3Å; D149-F151 PolarHBondContact O-N 3.49Å; F151-A153 VanDerWaalsContact C-N 3.28Å; F151-A153 PolarHBondContact O-N 3.01Å; F151-L154 PolarHBondContact O-N 2.96Å; F151-Q159 HydrophobicContact CD1-CG 4.49Å; F151-Q159 HydrophobicContact CD2-CG 4.21Å; F151-Q159 HydrophobicContact CE1-CG 3.99Å; F151-Q159 HydrophobicContact CE2-CB 3.81Å; F151-Q159 HydrophobicContact CE2-CG 3.72Å; F151-Q159 HydrophobicContact CZ-CB 3.75Å; F151-Q159 HydrophobicContact CZ-CG 3.59Å; F151-Q159 PolarHBondContact O-NE2 2.86Å; F151-Y162 HydrophobicContact CB-CE1 4.38Å; F151-Y162 AromaticContact CD2-CD1 3.55Å; F151-Y162 HydrophobicContact CD2-CD1 3.55Å; F151-Y162 AromaticContact CD2-CE1 3.86Å; F151-Y162 HydrophobicContact CD2-CE1 3.86Å; F151-Y162 AromaticContact CD2-CG 3.92Å; F151-Y162 HydrophobicContact CD2-CG 3.92Å; F151-Y162 HydrophobicContact CE2-CD1 4.08Å; F151-Y162 HydrophobicContact CE2-CG 4.28Å; F151-V167 HydrophobicContact CE2-CG2 4.29Å; F151-V170 HydrophobicContact CB-CG1 4.42Å; F151-V170 HydrophobicContact CB-CG2 3.87Å; F151-V170 HydrophobicContact CD1-CG1 4.2Å; F151-V170 HydrophobicContact CG-CG1 4.35Å; F151-V170 HydrophobicContact CG-CG2 4.23Å; F151-L200 HydrophobicContact CD1-CD2 4.3Å; F151-L200 HydrophobicContact CE1-CD2 3.37Å; F151-L200 HydrophobicContact CZ-CD2 3.63Å |
| 152 | C | 86.9 | Confident | 89.2 | Confident | 50 Ų | 50 | 56 Ų | 56 | 34% | 0.338 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -31.2 | 178.5 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | S148 D149 K150 L154 R196 | S148-C152 PolarHBondContact O-N 3.42Å; S148-C152 PolarHBondContact O-SG 3.28Å; D149-C152 PolarHBondContact O-N 2.85Å; D149-C152 VanDerWaalsContact O-N 3.16Å; K150-C152 VanDerWaalsContact C-N 3.33Å; K150-C152 PolarHBondContact O-N 2.97Å; C152-L154 VanDerWaalsContact C-N 3.32Å; C152-R196 PolarHBondContact SG-NH2 3.27Å |
| 153 | A | 90.1 | Very high | 89 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 74% | 0.736 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -78.3 | -13.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D149 K150 F151 | D149-A153 PolarHBondContact O-N 2.81Å; K150-A153 PolarHBondContact O-N 2.99Å; F151-A153 VanDerWaalsContact C-N 3.28Å; F151-A153 PolarHBondContact O-N 3.01Å |
| 154 | L | 92.1 | Very high | 88.9 | Confident | 48 Ų | 48 | 59 Ų | 59 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -77.1 | 151.9 | -179.7 | -65.9 | 177 | 0 | 0 | 0 | 112.8 | K150 F151 C152 Q158 Q159 Y162 | K150-L154 WeakPolarHBondContact O-CG 3.22Å; K150-L154 PolarHBondContact O-N 3.02Å; F151-L154 PolarHBondContact O-N 2.96Å; C152-L154 VanDerWaalsContact C-N 3.32Å; L154-Q158 HydrophobicContact CB-CB 3.89Å; L154-Q158 HydrophobicContact CD1-CB 4.37Å; L154-Q158 HydrophobicContact CD2-CB 4.12Å; L154-Q158 HydrophobicContact CG-CB 4.33Å; L154-Q159 HydrophobicContact CB-CG 3.86Å; L154-Q159 PolarHBondContact O-NE2 2.98Å; L154-Y162 HydrophobicContact CD1-CD2 3.47Å; L154-Y162 VanDerWaalsContact CD1-CD2 3.47Å; L154-Y162 HydrophobicContact CD1-CE2 3.6Å; L154-Y162 HydrophobicContact CD1-CG 4.34Å |
| 155 | S | 92.3 | Very high | 89 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | trans | -67.5 | 166.1 | 168.2 | 86.4 | 0 | 0 | 0 | 0 | 111.7 | E157 Q158 Q159 | S155-E157 VanDerWaalsContact C-N 3.3Å; S155-E157 WeakPolarHBondContact CB-OE2 3.48Å; S155-E157 PolarHBondContact O-N 3.42Å; S155-E157 PolarHBondContact OG-N 3.31Å; S155-E157 PolarHBondContact OG-OE2 3.35Å; S155-Q158 PolarHBondContact O-N 3.17Å; S155-Q158 PolarHBondContact OG-N 3.46Å; S155-Q159 WeakPolarHBondContact O-CG 3.34Å; S155-Q159 PolarHBondContact O-N 3.26Å | ||
| 156 | A | 87.4 | Confident | 89.2 | Confident | 59 Ų | 59 | 66.9 Ų | 66.9 | 49% | 0.488 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q158 Q159 D160 | A156-Q158 VanDerWaalsContact C-N 3.33Å; A156-Q158 PolarHBondContact O-N 3Å; A156-Q159 PolarHBondContact O-N 3.32Å; A156-D160 PolarHBondContact O-N 2.87Å; A156-D160 VanDerWaalsContact O-N 3.1Å |
| 157 | E | 88 | Confident | 89.5 | Confident | 125 Ų | 125 | 66.5 Ų | 66.5 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.9 | -38 | 179.9 | -55.2 | 73.8 | -158.5 | 0 | 0 | 111.6 | S155 D160 Q161 | S155-E157 VanDerWaalsContact C-N 3.3Å; S155-E157 WeakPolarHBondContact CB-OE2 3.48Å; S155-E157 PolarHBondContact O-N 3.42Å; S155-E157 PolarHBondContact OG-N 3.31Å; S155-E157 PolarHBondContact OG-OE2 3.35Å; E157-D160 PolarHBondContact O-N 3.31Å; E157-Q161 PolarHBondContact O-N 3.45Å |
| 158 | Q | 90.7 | Very high | 89.6 | Confident | 101 Ų | 101 | 66.4 Ų | 66.4 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.4 | -36.3 | 176.9 | -69.8 | 175.5 | -32.9 | 0 | 0 | 112 | L154 S155 A156 D160 Q161 Y162 | L154-Q158 HydrophobicContact CB-CB 3.89Å; L154-Q158 HydrophobicContact CD1-CB 4.37Å; L154-Q158 HydrophobicContact CD2-CB 4.12Å; L154-Q158 HydrophobicContact CG-CB 4.33Å; S155-Q158 PolarHBondContact O-N 3.17Å; S155-Q158 PolarHBondContact OG-N 3.46Å; A156-Q158 VanDerWaalsContact C-N 3.33Å; A156-Q158 PolarHBondContact O-N 3Å; Q158-D160 VanDerWaalsContact C-N 3.3Å; Q158-D160 PolarHBondContact O-N 3.03Å; Q158-Q161 PolarHBondContact O-N 3.07Å; Q158-Y162 PolarHBondContact O-N 3.49Å |
| 159 | Q | 88.6 | Confident | 89.8 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 20% | 0.196 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 174.3 | -74.1 | 178.8 | 2.6 | 0 | 0 | 111.7 | F151 L154 S155 A156 Q161 Y162 | F151-Q159 HydrophobicContact CD1-CG 4.49Å; F151-Q159 HydrophobicContact CD2-CG 4.21Å; F151-Q159 HydrophobicContact CE1-CG 3.99Å; F151-Q159 HydrophobicContact CE2-CB 3.81Å; F151-Q159 HydrophobicContact CE2-CG 3.72Å; F151-Q159 HydrophobicContact CZ-CB 3.75Å; F151-Q159 HydrophobicContact CZ-CG 3.59Å; F151-Q159 PolarHBondContact O-NE2 2.86Å; L154-Q159 HydrophobicContact CB-CG 3.86Å; L154-Q159 PolarHBondContact O-NE2 2.98Å; S155-Q159 WeakPolarHBondContact O-CG 3.34Å; S155-Q159 PolarHBondContact O-N 3.26Å; A156-Q159 PolarHBondContact O-N 3.32Å; Q159-Q161 VanDerWaalsContact C-N 3.32Å; Q159-Q161 PolarHBondContact O-N 3Å; Q159-Y162 WeakPolarHBondContact O-CB 3.21Å; Q159-Y162 PolarHBondContact O-N 3.13Å; Q159-Y162 VanDerWaalsContact O-N 3.17Å |
| 160 | D | 85.1 | Confident | 90.1 | Very high | 116 Ų | 116 | 67.5 Ų | 67.5 | 62% | 0.62 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.4 | -34.2 | 179.1 | -72 | -19.7 | 0 | 0 | 0 | 112.5 | A156 E157 Q158 Y162 | A156-D160 PolarHBondContact O-N 2.87Å; A156-D160 VanDerWaalsContact O-N 3.1Å; E157-D160 PolarHBondContact O-N 3.31Å; Q158-D160 VanDerWaalsContact C-N 3.3Å; Q158-D160 PolarHBondContact O-N 3.03Å; D160-Y162 VanDerWaalsContact C-N 3.3Å |
| 161 | Q | 88.3 | Confident | 90.3 | Very high | 163 Ų | 163 | 62.4 Ų | 62.4 | 76% | 0.762 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -6.4 | 176.5 | -62.9 | -179.8 | 30.6 | 0 | 0 | 113.2 | E157 Q158 Q159 | E157-Q161 PolarHBondContact O-N 3.45Å; Q158-Q161 PolarHBondContact O-N 3.07Å; Q159-Q161 VanDerWaalsContact C-N 3.32Å; Q159-Q161 PolarHBondContact O-N 3Å |
| 162 | Y | 89.8 | Confident | 90.6 | Very high | 23 Ų | 23 | 63.4 Ų | 63.4 | 9% | 0.09 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -65.1 | 136 | -173.2 | -154 | -114.4 | 0 | 0 | 0 | 111.6 | E147 F151 L154 Q158 Q159 D160 K166 V167 R204 | E147-Y162 PolarHBondContact OE2-OH 2.76Å; F151-Y162 HydrophobicContact CB-CE1 4.38Å; F151-Y162 AromaticContact CD2-CD1 3.55Å; F151-Y162 HydrophobicContact CD2-CD1 3.55Å; F151-Y162 AromaticContact CD2-CE1 3.86Å; F151-Y162 HydrophobicContact CD2-CE1 3.86Å; F151-Y162 AromaticContact CD2-CG 3.92Å; F151-Y162 HydrophobicContact CD2-CG 3.92Å; F151-Y162 HydrophobicContact CE2-CD1 4.08Å; F151-Y162 HydrophobicContact CE2-CG 4.28Å; L154-Y162 HydrophobicContact CD1-CD2 3.47Å; L154-Y162 VanDerWaalsContact CD1-CD2 3.47Å; L154-Y162 HydrophobicContact CD1-CE2 3.6Å; L154-Y162 HydrophobicContact CD1-CG 4.34Å; Q158-Y162 PolarHBondContact O-N 3.49Å; Q159-Y162 WeakPolarHBondContact O-CB 3.21Å; Q159-Y162 PolarHBondContact O-N 3.13Å; Q159-Y162 VanDerWaalsContact O-N 3.17Å; D160-Y162 VanDerWaalsContact C-N 3.3Å; Y162-K166 HydrophobicContact CD1-CB 3.76Å; Y162-K166 HydrophobicContact CE1-CB 3.3Å; Y162-K166 HydrophobicContact CE1-CD 3.86Å; Y162-K166 HydrophobicContact CE1-CG 4.25Å; Y162-K166 HydrophobicContact CE2-CD 4.36Å; Y162-V167 HydrophobicContact CD1-CG2 3.86Å; Y162-R204 PolarHBondContact O-NH1 2.79Å; Y162-R204 PolarHBondContact O-NH2 3.07Å |
| 163 | P | 91.1 | Very high | 90.9 | Very high | 69 Ų | 69 | 61.4 Ų | 61.4 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | trans | -58.6 | 140 | -175.5 | -27.1 | 34.3 | 0 | 0 | 0 | 114.1 | Q165 K166 V167 | P163-Q165 PolarHBondContact O-N 3.24Å; P163-K166 HydrophobicContact CB-CD 4.37Å; P163-K166 HydrophobicContact CB-CG 4.22Å; P163-K166 HydrophobicContact CG-CD 4.17Å; P163-K166 WeakPolarHBondContact O-CB 3.32Å; P163-K166 PolarHBondContact O-N 2.9Å; P163-V167 PolarHBondContact O-N 2.86Å | ||
| 164 | L | 88.8 | Confident | 91.1 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.6 | -44.9 | -174.2 | 179.4 | 62.6 | 0 | 0 | 0 | 112.8 | K166 V167 L168 A210 V214 | L164-K166 PolarHBondContact O-N 2.93Å; L164-V167 PolarHBondContact O-N 3.32Å; L164-V167 VanDerWaalsContact O-N 3.08Å; L164-L168 HydrophobicContact CD1-CD2 4.46Å; L164-L168 HydrophobicContact CD1-CG 4.26Å; L164-L168 HydrophobicContact CG-CD1 4.29Å; L164-L168 HydrophobicContact CG-CG 4.31Å; L164-L168 WeakPolarHBondContact O-CG 3.4Å; L164-L168 PolarHBondContact O-N 3.16Å; L164-A210 HydrophobicContact CD2-CB 3.6Å; L164-V214 HydrophobicContact CD1-CG2 4.07Å; L164-V214 HydrophobicContact CD2-CG2 4.38Å |
| 165 | Q | 90.7 | Very high | 91.3 | Very high | 128 Ų | 128 | 57.3 Ų | 57.3 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57 | -37.4 | 178.2 | -64.8 | -61.7 | -11 | 0 | 0 | 112.3 | P163 L168 K169 | P163-Q165 PolarHBondContact O-N 3.24Å; Q165-L168 PolarHBondContact O-N 3.34Å; Q165-K169 PolarHBondContact O-N 3.26Å; Q165-K169 VanDerWaalsContact O-N 3.1Å |
| 166 | K | 91.8 | Very high | 91.4 | Very high | 83 Ų | 83 | 58.5 Ų | 58.5 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.6 | -41.6 | 176.4 | -61.7 | -172.4 | 165.7 | -143.6 | 0 | 111.9 | E147 Y162 P163 L164 L168 K169 V170 | E147-K166 WeakPolarHBondContact OE2-CD 3.41Å; E147-K166 WeakPolarHBondContact OE2-CE 3.36Å; E147-K166 IonicContact OE2-NZ 3.83Å; E147-K166 PolarHBondContact OE2-NZ 3.46Å; Y162-K166 HydrophobicContact CD1-CB 3.76Å; Y162-K166 HydrophobicContact CE1-CB 3.3Å; Y162-K166 HydrophobicContact CE1-CD 3.86Å; Y162-K166 HydrophobicContact CE1-CG 4.25Å; Y162-K166 HydrophobicContact CE2-CD 4.36Å; P163-K166 HydrophobicContact CB-CD 4.37Å; P163-K166 HydrophobicContact CB-CG 4.22Å; P163-K166 HydrophobicContact CG-CD 4.17Å; P163-K166 WeakPolarHBondContact O-CB 3.32Å; P163-K166 PolarHBondContact O-N 2.9Å; L164-K166 PolarHBondContact O-N 2.93Å; K166-L168 VanDerWaalsContact C-N 3.29Å; K166-L168 PolarHBondContact O-N 2.88Å; K166-K169 WeakPolarHBondContact O-CA 3.42Å; K166-K169 WeakPolarHBondContact O-CB 3.23Å; K166-K169 PolarHBondContact O-N 2.87Å; K166-K169 VanDerWaalsContact O-N 3.1Å; K166-V170 WeakPolarHBondContact O-CG2 3.45Å; K166-V170 PolarHBondContact O-N 2.92Å |
| 167 | V | 91.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -40.9 | 174 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | F151 Y162 P163 L164 K169 V170 A171 L200 | F151-V167 HydrophobicContact CE2-CG2 4.29Å; Y162-V167 HydrophobicContact CD1-CG2 3.86Å; P163-V167 PolarHBondContact O-N 2.86Å; L164-V167 PolarHBondContact O-N 3.32Å; L164-V167 VanDerWaalsContact O-N 3.08Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.01Å; V167-V170 PolarHBondContact O-N 2.91Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.92Å; V167-L200 HydrophobicContact CG1-CB 4.32Å |
| 168 | L | 92.5 | Very high | 92.1 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 12% | 0.12 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -42.3 | 174.6 | -66.6 | 177.5 | 0 | 0 | 0 | 111.2 | L164 Q165 K166 A171 A172 L201 L213 V214 A217 | L164-L168 HydrophobicContact CD1-CD2 4.46Å; L164-L168 HydrophobicContact CD1-CG 4.26Å; L164-L168 HydrophobicContact CG-CD1 4.29Å; L164-L168 HydrophobicContact CG-CG 4.31Å; L164-L168 WeakPolarHBondContact O-CG 3.4Å; L164-L168 PolarHBondContact O-N 3.16Å; Q165-L168 PolarHBondContact O-N 3.34Å; K166-L168 VanDerWaalsContact C-N 3.29Å; K166-L168 PolarHBondContact O-N 2.88Å; L168-A171 PolarHBondContact O-N 2.73Å; L168-A172 WeakPolarHBondContact O-CB 3.44Å; L168-A172 PolarHBondContact O-N 3.26Å; L168-L201 HydrophobicContact CD2-CD2 3.59Å; L168-L213 HydrophobicContact CD1-CB 4.16Å; L168-V214 HydrophobicContact CD2-CG2 4.37Å; L168-A217 HydrophobicContact CD2-CB 3.83Å |
| 169 | K | 92.8 | Very high | 92.3 | Very high | 86 Ų | 86 | 47.9 Ų | 47.9 | 37% | 0.374 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 173.4 | -172.3 | 177 | 176.2 | -175.4 | 0 | 111.5 | D144 E147 Q165 K166 V167 A171 A172 T173 | D144-K169 WeakPolarHBondContact OD2-CE 3.44Å; D144-K169 IonicContact OD2-NZ 3.4Å; D144-K169 PolarHBondContact OD2-NZ 3.4Å; E147-K169 HydrophobicContact CB-CD 4.35Å; E147-K169 HydrophobicContact CG-CD 4.08Å; Q165-K169 PolarHBondContact O-N 3.26Å; Q165-K169 VanDerWaalsContact O-N 3.1Å; K166-K169 WeakPolarHBondContact O-CA 3.42Å; K166-K169 WeakPolarHBondContact O-CB 3.23Å; K166-K169 PolarHBondContact O-N 2.87Å; K166-K169 VanDerWaalsContact O-N 3.1Å; V167-K169 VanDerWaalsContact C-N 3.32Å; V167-K169 PolarHBondContact O-N 3.01Å; K169-A171 VanDerWaalsContact C-N 3.34Å; K169-A171 PolarHBondContact O-N 3.01Å; K169-A172 WeakPolarHBondContact O-CB 3.4Å; K169-A172 PolarHBondContact O-N 2.7Å; K169-A172 VanDerWaalsContact O-N 3.14Å; K169-T173 PolarHBondContact O-N 3.38Å; K169-T173 PolarHBondContact O-OG1 3.3Å |
| 170 | V | 93.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -45.1 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | E147 F151 K166 V167 A172 T173 E174 L200 | E147-V170 HydrophobicContact CB-CG2 4.44Å; F151-V170 HydrophobicContact CB-CG1 4.42Å; F151-V170 HydrophobicContact CB-CG2 3.87Å; F151-V170 HydrophobicContact CD1-CG1 4.2Å; F151-V170 HydrophobicContact CG-CG1 4.35Å; F151-V170 HydrophobicContact CG-CG2 4.23Å; K166-V170 WeakPolarHBondContact O-CG2 3.45Å; K166-V170 PolarHBondContact O-N 2.92Å; V167-V170 PolarHBondContact O-N 2.91Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 2.88Å; V170-T173 WeakPolarHBondContact O-CB 3.47Å; V170-T173 PolarHBondContact O-N 3.06Å; V170-E174 WeakPolarHBondContact O-CG 3.27Å; V170-E174 PolarHBondContact O-N 3.27Å; V170-L200 HydrophobicContact CB-CD1 4.43Å; V170-L200 HydrophobicContact CG1-CD1 3.64Å |
| 171 | A | 94.7 | Very high | 92.8 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V167 L168 K169 R175 A197 L200 L201 | V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.92Å; L168-A171 PolarHBondContact O-N 2.73Å; K169-A171 VanDerWaalsContact C-N 3.34Å; K169-A171 PolarHBondContact O-N 3.01Å; A171-R175 WeakPolarHBondContact O-CB 3.48Å; A171-R175 PolarHBondContact O-N 3.03Å; A171-A197 HydrophobicContact CB-CB 4.5Å; A171-A197 WeakPolarHBondContact O-CB 3.28Å; A171-L200 HydrophobicContact CB-CB 4.4Å; A171-L200 HydrophobicContact CB-CD1 4.47Å; A171-L201 HydrophobicContact CB-CD1 4.19Å; A171-L201 HydrophobicContact CB-CD2 3.81Å; A171-L201 HydrophobicContact CB-CG 3.82Å |
| 172 | A | 95.1 | Very high | 93.2 | Very high | 35 Ų | 35 | 36 Ų | 36 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.7 | -44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L168 K169 V170 R175 E176 | L168-A172 WeakPolarHBondContact O-CB 3.44Å; L168-A172 PolarHBondContact O-N 3.26Å; K169-A172 WeakPolarHBondContact O-CB 3.4Å; K169-A172 PolarHBondContact O-N 2.7Å; K169-A172 VanDerWaalsContact O-N 3.14Å; V170-A172 VanDerWaalsContact C-N 3.32Å; V170-A172 PolarHBondContact O-N 2.88Å; A172-R175 WeakPolarHBondContact O-CB 3.08Å; A172-R175 PolarHBondContact O-N 3.12Å; A172-E176 WeakPolarHBondContact O-CG 3.36Å; A172-E176 PolarHBondContact O-N 2.93Å |
| 173 | T | 93.4 | Very high | 93.3 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.2 | -48.5 | 174.2 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | D144 K169 V170 R175 E176 F177 | D144-T173 WeakPolarHBondContact O-CG2 3.38Å; D144-T173 PolarHBondContact O-OG1 2.76Å; K169-T173 PolarHBondContact O-N 3.38Å; K169-T173 PolarHBondContact O-OG1 3.3Å; V170-T173 WeakPolarHBondContact O-CB 3.47Å; V170-T173 PolarHBondContact O-N 3.06Å; T173-R175 VanDerWaalsContact C-N 3.3Å; T173-R175 PolarHBondContact O-N 3.29Å; T173-E176 WeakPolarHBondContact O-CA 3.39Å; T173-E176 WeakPolarHBondContact O-CB 3.42Å; T173-E176 PolarHBondContact O-N 2.67Å; T173-F177 HydrophobicContact CG2-CD2 3.8Å; T173-F177 HydrophobicContact CG2-CE2 3.51Å; T173-F177 VanDerWaalsContact O-CD2 3.26Å; T173-F177 WeakPolarHBondContact O-CD2 2.91Å; T173-F177 PolarHBondContact O-N 2.94Å |
| 174 | E | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -37.9 | 176.6 | -73.6 | -65.5 | 166.1 | 0 | 0 | 112.5 | V170 E176 F177 G178 R193 R196 A197 L200 | V170-E174 WeakPolarHBondContact O-CG 3.27Å; V170-E174 PolarHBondContact O-N 3.27Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.37Å; E174-F177 PolarHBondContact O-N 3.42Å; E174-G178 PolarHBondContact O-N 3.2Å; E174-R193 IonicContact OE1-NH1 2.66Å; E174-R193 PolarHBondContact OE1-NH1 3.43Å; E174-R193 VanDerWaalsContact OE1-NH1 3.12Å; E174-R193 WeakPolarHBondContact OE2-CD 3.39Å; E174-R193 IonicContact OE2-CZ 3.2Å; E174-R193 IonicContact OE2-NE 2.73Å; E174-R193 IonicContact OE2-NH1 3.73Å; E174-R193 PolarHBondContact OE2-NH1 2.97Å; E174-R196 HydrophobicContact CG-CG 4.34Å; E174-R196 IonicContact OE1-CZ 2.93Å; E174-R196 IonicContact OE1-NE 2.57Å; E174-R196 IonicContact OE1-NH1 2.82Å; E174-R196 PolarHBondContact OE1-NH1 2.83Å; E174-A197 HydrophobicContact CB-CB 3.88Å; E174-L200 HydrophobicContact CG-CD1 4.38Å |
| 175 | R | 96.6 | Very high | 93.4 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 172.5 | -178.6 | -171.2 | 59 | 70.2 | 8.7 | 111.4 | A171 A172 T173 G178 N179 Y194 V221 | A171-R175 WeakPolarHBondContact O-CB 3.48Å; A171-R175 PolarHBondContact O-N 3.03Å; A172-R175 WeakPolarHBondContact O-CB 3.08Å; A172-R175 PolarHBondContact O-N 3.12Å; T173-R175 VanDerWaalsContact C-N 3.3Å; T173-R175 PolarHBondContact O-N 3.29Å; R175-G178 WeakPolarHBondContact O-CA 3.44Å; R175-G178 PolarHBondContact O-N 3.34Å; R175-N179 PolarHBondContact NH1-ND2 2.69Å; R175-N179 PolarHBondContact O-N 3.4Å; R175-N179 PolarHBondContact O-OD1 3.34Å; R175-Y194 HydrophobicContact CG-CD1 4.25Å; R175-Y194 HydrophobicContact CG-CE1 4.1Å; R175-Y194 VanDerWaalsContact O-CE1 3.28Å; R175-Y194 WeakPolarHBondContact O-CE1 3.27Å; R175-V221 HydrophobicContact CB-CG2 4.19Å; R175-V221 HydrophobicContact CG-CG2 4.13Å |
| 176 | E | 94.9 | Very high | 93.6 | Very high | 73 Ų | 73 | 45.4 Ų | 45.4 | 34% | 0.341 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.4 | -40.2 | 178.6 | -72.4 | 172.9 | -175.5 | 0 | 0 | 112.7 | L143 A172 T173 E174 G178 N179 Y180 | L143-E176 HydrophobicContact CD1-CB 4.43Å; L143-E176 HydrophobicContact CD2-CB 3.78Å; A172-E176 WeakPolarHBondContact O-CG 3.36Å; A172-E176 PolarHBondContact O-N 2.93Å; T173-E176 WeakPolarHBondContact O-CA 3.39Å; T173-E176 WeakPolarHBondContact O-CB 3.42Å; T173-E176 PolarHBondContact O-N 2.67Å; E174-E176 VanDerWaalsContact C-N 3.32Å; E174-E176 PolarHBondContact O-N 3.37Å; E176-G178 VanDerWaalsContact C-N 3.26Å; E176-G178 PolarHBondContact O-N 3.39Å; E176-N179 WeakPolarHBondContact O-CB 3.28Å; E176-N179 PolarHBondContact O-N 2.81Å; E176-N179 VanDerWaalsContact O-N 3.12Å; E176-Y180 PolarHBondContact O-N 2.67Å |
| 177 | F | 93.3 | Very high | 93.8 | Very high | 16 Ų | 16 | 43.2 Ų | 43.2 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.3 | -41.8 | 167.5 | -81.1 | -77.7 | 0 | 0 | 0 | 111.4 | L83 L143 T173 E174 Y180 L181 R193 | L83-F177 HydrophobicContact CD2-CD1 3.53Å; L83-F177 HydrophobicContact CD2-CE1 3.21Å; L83-F177 HydrophobicContact CD2-CZ 4.3Å; L83-F177 HydrophobicContact CG-CE1 4.47Å; L143-F177 HydrophobicContact CB-CZ 4.42Å; L143-F177 HydrophobicContact CD1-CB 4.49Å; L143-F177 HydrophobicContact CD1-CD1 3.73Å; L143-F177 HydrophobicContact CD1-CD2 4.1Å; L143-F177 HydrophobicContact CD1-CE1 3.94Å; L143-F177 HydrophobicContact CD1-CE2 4.24Å; L143-F177 HydrophobicContact CD1-CG 3.82Å; L143-F177 HydrophobicContact CD1-CZ 4.16Å; T173-F177 HydrophobicContact CG2-CD2 3.8Å; T173-F177 HydrophobicContact CG2-CE2 3.51Å; T173-F177 VanDerWaalsContact O-CD2 3.26Å; T173-F177 WeakPolarHBondContact O-CD2 2.91Å; T173-F177 PolarHBondContact O-N 2.94Å; E174-F177 PolarHBondContact O-N 3.42Å; F177-Y180 WeakPolarHBondContact O-CB 3.49Å; F177-Y180 PolarHBondContact O-N 2.85Å; F177-L181 WeakPolarHBondContact O-CG 3.46Å; F177-L181 PolarHBondContact O-N 3.42Å; F177-R193 HydrophobicContact CB-CG 4.15Å |
| 178 | G | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.2 | -46 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E174 R175 E176 Y180 L181 F182 A190 Y194 | E174-G178 PolarHBondContact O-N 3.2Å; R175-G178 WeakPolarHBondContact O-CA 3.44Å; R175-G178 PolarHBondContact O-N 3.34Å; E176-G178 VanDerWaalsContact C-N 3.26Å; E176-G178 PolarHBondContact O-N 3.39Å; G178-Y180 VanDerWaalsContact C-N 3.33Å; G178-Y180 PolarHBondContact O-N 3.48Å; G178-L181 PolarHBondContact O-N 3.06Å; G178-F182 WeakPolarHBondContact O-CB 3.49Å; G178-F182 PolarHBondContact O-N 3.3Å; G178-A190 WeakPolarHBondContact O-CB 3.5Å; G178-Y194 VanDerWaalsContact C-OH 3.24Å; G178-Y194 PolarHBondContact O-OH 3.09Å |
| 179 | N | 95.5 | Very high | 94.2 | Very high | 47 Ų | 47 | 48 Ų | 48 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.9 | -40 | 177.5 | -74.2 | -4.7 | 0 | 0 | 0 | 112.4 | R175 E176 F182 R183 Y194 N224 | R175-N179 PolarHBondContact NH1-ND2 2.69Å; R175-N179 PolarHBondContact O-N 3.4Å; R175-N179 PolarHBondContact O-OD1 3.34Å; E176-N179 WeakPolarHBondContact O-CB 3.28Å; E176-N179 PolarHBondContact O-N 2.81Å; E176-N179 VanDerWaalsContact O-N 3.12Å; N179-F182 PolarHBondContact O-N 2.89Å; N179-R183 WeakPolarHBondContact O-CG 3.36Å; N179-R183 PolarHBondContact O-N 3.25Å; N179-Y194 VanDerWaalsContact CA-OH 3.25Å; N179-Y194 WeakPolarHBondContact CA-OH 3.45Å; N179-Y194 PolarHBondContact N-OH 3.03Å; N179-Y194 VanDerWaalsContact N-OH 3.16Å; N179-Y194 WeakPolarHBondContact OD1-CE1 3.36Å; N179-Y194 PolarHBondContact OD1-OH 3.35Å; N179-N224 PolarHBondContact OD1-ND2 3.16Å |
| 180 | Y | 91.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 7% | 0.071 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.1 | -53.6 | 174.5 | 168.1 | -104.5 | 0 | 0 | 0 | 110.8 | L58 P81 L83 E176 F177 G178 F182 R183 Q184 | L58-Y180 HydrophobicContact CD1-CE2 3.79Å; L58-Y180 WeakPolarHBondContact CD1-OH 3.28Å; L58-Y180 HydrophobicContact CD2-CE2 3.83Å; L58-Y180 HydrophobicContact CG-CE2 4.44Å; P81-Y180 PolarHBondContact O-OH 3.22Å; L83-Y180 HydrophobicContact CB-CE1 4.09Å; L83-Y180 HydrophobicContact CD2-CD1 4.35Å; E176-Y180 PolarHBondContact O-N 2.67Å; F177-Y180 WeakPolarHBondContact O-CB 3.49Å; F177-Y180 PolarHBondContact O-N 2.85Å; G178-Y180 VanDerWaalsContact C-N 3.33Å; G178-Y180 PolarHBondContact O-N 3.48Å; Y180-F182 VanDerWaalsContact C-N 3.26Å; Y180-F182 PolarHBondContact O-N 3.2Å; Y180-R183 PolarHBondContact O-N 3.04Å; Y180-Q184 HydrophobicContact CE2-CG 4.15Å; Y180-Q184 WeakPolarHBondContact O-CG 3.49Å; Y180-Q184 PolarHBondContact O-N 2.88Å |
| 181 | L | 92.5 | Very high | 94.6 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 9% | 0.089 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 179.3 | -67 | 163.7 | 0 | 0 | 0 | 112.1 | F177 G178 Q184 N185 R186 D189 A190 R193 | F177-L181 WeakPolarHBondContact O-CG 3.46Å; F177-L181 PolarHBondContact O-N 3.42Å; G178-L181 PolarHBondContact O-N 3.06Å; L181-Q184 CarbonylContact O-C 3.49Å; L181-Q184 PolarHBondContact O-N 3.18Å; L181-N185 PolarHBondContact O-N 3.44Å; L181-R186 HydrophobicContact CB-CB 4.35Å; L181-R186 HydrophobicContact CD2-CB 4.45Å; L181-R186 WeakPolarHBondContact O-CB 3.3Å; L181-R186 PolarHBondContact O-N 3.14Å; L181-D189 HydrophobicContact CB-CB 4.45Å; L181-D189 HydrophobicContact CD1-CB 3.8Å; L181-D189 HydrophobicContact CD2-CB 4.12Å; L181-D189 HydrophobicContact CG-CB 4.35Å; L181-A190 HydrophobicContact CB-CB 3.93Å; L181-R193 HydrophobicContact CD1-CG 3.67Å |
| 182 | F | 95.5 | Very high | 94.8 | Very high | 35 Ų | 35 | 50.5 Ų | 50.5 | 15% | 0.154 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 176.2 | -169.4 | -78.7 | 0 | 0 | 0 | 111.7 | G178 N179 Y180 Q184 N185 F187 A190 Y194 F227 T228 K231 | G178-F182 WeakPolarHBondContact O-CB 3.49Å; G178-F182 PolarHBondContact O-N 3.3Å; N179-F182 PolarHBondContact O-N 2.89Å; Y180-F182 VanDerWaalsContact C-N 3.26Å; Y180-F182 PolarHBondContact O-N 3.2Å; F182-Q184 PolarHBondContact O-N 3.26Å; F182-N185 PolarHBondContact O-N 2.93Å; F182-F187 HydrophobicContact CD1-CE1 4.24Å; F182-F187 AromaticContact CD2-CD1 3.74Å; F182-F187 HydrophobicContact CD2-CD1 3.74Å; F182-F187 HydrophobicContact CD2-CE1 4.07Å; F182-F187 AromaticContact CE1-CE1 3.97Å; F182-F187 HydrophobicContact CE1-CE1 3.97Å; F182-F187 AromaticContact CE2-CD1 3.66Å; F182-F187 HydrophobicContact CE2-CD1 3.66Å; F182-F187 AromaticContact CE2-CE1 3.81Å; F182-F187 HydrophobicContact CE2-CE1 3.81Å; F182-F187 HydrophobicContact CG-CD1 4.25Å; F182-F187 HydrophobicContact CG-CE1 4.26Å; F182-F187 HydrophobicContact CZ-CD1 4.09Å; F182-F187 AromaticContact CZ-CE1 3.74Å; F182-F187 HydrophobicContact CZ-CE1 3.74Å; F182-A190 HydrophobicContact CB-CB 4.01Å; F182-A190 HydrophobicContact CD2-CB 4.47Å; F182-Y194 HydrophobicContact CD2-CE2 4.4Å; F182-F227 AromaticContact CE1-CD1 3.92Å; F182-F227 HydrophobicContact CE1-CD1 3.92Å; F182-F227 AromaticContact CE1-CE1 3.6Å; F182-F227 HydrophobicContact CE1-CE1 3.6Å; F182-F227 AromaticContact CE2-CD1 3.89Å; F182-F227 HydrophobicContact CE2-CD1 3.89Å; F182-F227 HydrophobicContact CE2-CE1 4.31Å; F182-F227 HydrophobicContact CE2-CG 4.48Å; F182-F227 AromaticContact CZ-CD1 3.26Å; F182-F227 HydrophobicContact CZ-CD1 3.26Å; F182-F227 AromaticContact CZ-CE1 3.26Å; F182-F227 HydrophobicContact CZ-CE1 3.26Å; F182-F227 HydrophobicContact CZ-CG 4.11Å; F182-F227 HydrophobicContact CZ-CZ 4.09Å; F182-T228 WeakPolarHBondContact CD2-OG1 3.37Å; F182-K231 HydrophobicContact CE2-CG 4.2Å; F182-K231 HydrophobicContact CZ-CG 3.87Å |
| 183 | R | 92.1 | Very high | 94.9 | Very high | 146 Ų | 146 | 52.3 Ų | 52.3 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.7 | -27.7 | 176 | -74.9 | -175.7 | -77.6 | 156.1 | -8.4 | 112.7 | D141 N179 Y180 N185 | D141-R183 IonicContact OD2-NH1 2.73Å; D141-R183 IonicContact OD2-NH2 3.61Å; D141-R183 PolarHBondContact OD2-NH2 3.37Å; N179-R183 WeakPolarHBondContact O-CG 3.36Å; N179-R183 PolarHBondContact O-N 3.25Å; Y180-R183 PolarHBondContact O-N 3.04Å; R183-N185 PolarHBondContact O-N 3.3Å |
| 184 | Q | 88.8 | Confident | 95.1 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 11.6 | 175.4 | -56.2 | -57 | -20.1 | 0 | 0 | 113.5 | Y180 L181 F182 R186 | Y180-Q184 HydrophobicContact CE2-CG 4.15Å; Y180-Q184 WeakPolarHBondContact O-CG 3.49Å; Y180-Q184 PolarHBondContact O-N 2.88Å; L181-Q184 CarbonylContact O-C 3.49Å; L181-Q184 PolarHBondContact O-N 3.18Å; F182-Q184 PolarHBondContact O-N 3.26Å; Q184-R186 HydrophobicContact CB-CG 4.28Å; Q184-R186 PolarHBondContact O-N 2.87Å; Q184-R186 VanDerWaalsContact O-N 3.09Å |
| 185 | N | 93.9 | Very high | 95.2 | Very high | 120 Ų | 120 | 56.4 Ų | 56.4 | 64% | 0.642 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | 16 | -173.4 | -58.6 | -51.9 | 0 | 0 | 0 | 114.5 | L181 F182 R183 F187 | L181-N185 PolarHBondContact O-N 3.44Å; F182-N185 PolarHBondContact O-N 2.93Å; R183-N185 PolarHBondContact O-N 3.3Å; N185-F187 HydrophobicContact CB-CE2 4.14Å; N185-F187 HydrophobicContact CB-CZ 4.02Å; N185-F187 WeakPolarHBondContact O-CD2 3.31Å; N185-F187 PolarHBondContact O-N 3.38Å; N185-F187 WeakPolarHBondContact OD1-CZ 3.23Å |
| 186 | R | 94.3 | Very high | 95.2 | Very high | 128 Ų | 128 | 58.6 Ų | 58.6 | 48% | 0.483 | 27% | 0.271 | S | S | . | . | trans | -86.5 | 61.6 | 177.1 | -67 | 177.1 | 61.3 | -177.2 | 0.4 | 110.3 | L181 Q184 C188 D189 A190 | L181-R186 HydrophobicContact CB-CB 4.35Å; L181-R186 HydrophobicContact CD2-CB 4.45Å; L181-R186 WeakPolarHBondContact O-CB 3.3Å; L181-R186 PolarHBondContact O-N 3.14Å; Q184-R186 HydrophobicContact CB-CG 4.28Å; Q184-R186 PolarHBondContact O-N 2.87Å; Q184-R186 VanDerWaalsContact O-N 3.09Å; R186-C188 VanDerWaalsContact C-N 3.28Å; R186-C188 PolarHBondContact O-N 3.1Å; R186-D189 HydrophobicContact CB-CB 4.34Å; R186-D189 IonicContact CZ-OD2 2.82Å; R186-D189 IonicContact NE-OD2 3.65Å; R186-D189 PolarHBondContact NE-OD2 3.04Å; R186-D189 IonicContact NH2-OD2 3.37Å; R186-D189 PolarHBondContact NH2-OD2 3.23Å; R186-D189 PolarHBondContact O-N 3.1Å; R186-D189 VanDerWaalsContact O-N 3.12Å; R186-A190 PolarHBondContact O-N 3.47Å | ||
| 187 | F | 97.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -34.3 | -172.3 | -54.2 | -56.2 | 0 | 0 | 0 | 113.3 | F182 N185 K191 T228 K231 L232 | F182-F187 HydrophobicContact CD1-CE1 4.24Å; F182-F187 AromaticContact CD2-CD1 3.74Å; F182-F187 HydrophobicContact CD2-CD1 3.74Å; F182-F187 HydrophobicContact CD2-CE1 4.07Å; F182-F187 AromaticContact CE1-CE1 3.97Å; F182-F187 HydrophobicContact CE1-CE1 3.97Å; F182-F187 AromaticContact CE2-CD1 3.66Å; F182-F187 HydrophobicContact CE2-CD1 3.66Å; F182-F187 AromaticContact CE2-CE1 3.81Å; F182-F187 HydrophobicContact CE2-CE1 3.81Å; F182-F187 HydrophobicContact CG-CD1 4.25Å; F182-F187 HydrophobicContact CG-CE1 4.26Å; F182-F187 HydrophobicContact CZ-CD1 4.09Å; F182-F187 AromaticContact CZ-CE1 3.74Å; F182-F187 HydrophobicContact CZ-CE1 3.74Å; N185-F187 HydrophobicContact CB-CE2 4.14Å; N185-F187 HydrophobicContact CB-CZ 4.02Å; N185-F187 WeakPolarHBondContact O-CD2 3.31Å; N185-F187 PolarHBondContact O-N 3.38Å; N185-F187 WeakPolarHBondContact OD1-CZ 3.23Å; F187-K191 VanDerWaalsContact O-CB 3.31Å; F187-K191 WeakPolarHBondContact O-CB 3.26Å; F187-K191 PolarHBondContact O-N 3.03Å; F187-T228 HydrophobicContact CB-CG2 4.13Å; F187-T228 VanDerWaalsContact O-CG2 3.23Å; F187-T228 WeakPolarHBondContact O-CG2 3.47Å; F187-K231 HydrophobicContact CD1-CB 3.88Å; F187-K231 HydrophobicContact CD1-CG 4.23Å; F187-K231 HydrophobicContact CD2-CB 3.89Å; F187-K231 HydrophobicContact CE1-CB 3.99Å; F187-K231 HydrophobicContact CE1-CG 3.93Å; F187-K231 HydrophobicContact CE2-CB 3.99Å; F187-K231 HydrophobicContact CE2-CG 4.48Å; F187-K231 HydrophobicContact CG-CB 3.84Å; F187-K231 HydrophobicContact CZ-CB 4.04Å; F187-K231 HydrophobicContact CZ-CD 4.28Å; F187-K231 HydrophobicContact CZ-CG 4.07Å; F187-L232 HydrophobicContact CB-CD1 4.43Å; F187-L232 HydrophobicContact CB-CD2 3.67Å; F187-L232 HydrophobicContact CB-CG 3.86Å |
| 188 | C | 96.9 | Very high | 95.3 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 47% | 0.466 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.6 | -77.6 | 0 | 0 | 0 | 0 | 112.6 | R186 K191 V192 | R186-C188 VanDerWaalsContact C-N 3.28Å; R186-C188 PolarHBondContact O-N 3.1Å; C188-K191 WeakPolarHBondContact O-CB 3.08Å; C188-V192 PolarHBondContact O-N 2.87Å |
| 189 | D | 95.1 | Very high | 95.2 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -76.1 | -39.6 | -179.8 | -56.5 | -41.8 | 0 | 0 | 0 | 110.9 | L181 R186 K191 V192 R193 | L181-D189 HydrophobicContact CB-CB 4.45Å; L181-D189 HydrophobicContact CD1-CB 3.8Å; L181-D189 HydrophobicContact CD2-CB 4.12Å; L181-D189 HydrophobicContact CG-CB 4.35Å; R186-D189 HydrophobicContact CB-CB 4.34Å; R186-D189 IonicContact CZ-OD2 2.82Å; R186-D189 IonicContact NE-OD2 3.65Å; R186-D189 PolarHBondContact NE-OD2 3.04Å; R186-D189 IonicContact NH2-OD2 3.37Å; R186-D189 PolarHBondContact NH2-OD2 3.23Å; R186-D189 PolarHBondContact O-N 3.1Å; R186-D189 VanDerWaalsContact O-N 3.12Å; D189-K191 VanDerWaalsContact C-N 3.3Å; D189-K191 PolarHBondContact O-N 3.48Å; D189-V192 WeakPolarHBondContact O-CB 3.46Å; D189-V192 PolarHBondContact O-N 3.39Å; D189-V192 VanDerWaalsContact O-N 3.08Å; D189-R193 PolarHBondContact O-N 3.49Å |
| 190 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | G178 L181 F182 R186 V192 R193 Y194 | G178-A190 WeakPolarHBondContact O-CB 3.5Å; L181-A190 HydrophobicContact CB-CB 3.93Å; F182-A190 HydrophobicContact CB-CB 4.01Å; F182-A190 HydrophobicContact CD2-CB 4.47Å; R186-A190 PolarHBondContact O-N 3.47Å; A190-V192 VanDerWaalsContact C-N 3.31Å; A190-V192 PolarHBondContact O-N 3.32Å; A190-R193 PolarHBondContact O-N 3.08Å; A190-Y194 HydrophobicContact CB-CD2 4.37Å; A190-Y194 HydrophobicContact CB-CE2 3.88Å; A190-Y194 WeakPolarHBondContact O-CD2 3.01Å; A190-Y194 PolarHBondContact O-N 3.49Å |
| 191 | K | 98 | Very high | 95 | Very high | 55 Ų | 55 | 56.5 Ų | 56.5 | 24% | 0.239 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.2 | -44.3 | 174.1 | 172.3 | -158.8 | 71.9 | -174.3 | 0 | 112 | F187 C188 D189 K195 T228 Y229 L232 | F187-K191 VanDerWaalsContact O-CB 3.31Å; F187-K191 WeakPolarHBondContact O-CB 3.26Å; F187-K191 PolarHBondContact O-N 3.03Å; C188-K191 WeakPolarHBondContact O-CB 3.08Å; D189-K191 VanDerWaalsContact C-N 3.3Å; D189-K191 PolarHBondContact O-N 3.48Å; K191-K195 HydrophobicContact CG-CD 4.48Å; K191-K195 WeakPolarHBondContact O-CB 3.4Å; K191-K195 WeakPolarHBondContact O-CG 3.5Å; K191-K195 PolarHBondContact O-N 2.81Å; K191-T228 HydrophobicContact CB-CG2 3.91Å; K191-Y229 HydrophobicContact CD-CE1 4.01Å; K191-Y229 HydrophobicContact CD-CE2 4.49Å; K191-Y229 HydrophobicContact CG-CE2 4.17Å; K191-L232 HydrophobicContact CB-CD1 4.38Å; K191-L232 HydrophobicContact CD-CD1 4.09Å |
| 192 | V | 97.5 | Very high | 94.7 | Very high | 89 Ų | 89 | 61.8 Ų | 61.8 | 54% | 0.539 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | -180 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | C188 D189 A190 K195 R196 | C188-V192 PolarHBondContact O-N 2.87Å; D189-V192 WeakPolarHBondContact O-CB 3.46Å; D189-V192 PolarHBondContact O-N 3.39Å; D189-V192 VanDerWaalsContact O-N 3.08Å; A190-V192 VanDerWaalsContact C-N 3.31Å; A190-V192 PolarHBondContact O-N 3.32Å; V192-K195 PolarHBondContact O-N 2.66Å; V192-R196 PolarHBondContact O-N 3.49Å |
| 193 | R | 96.5 | Very high | 93.6 | Very high | 74 Ų | 74 | 68 Ų | 68 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 177.8 | -68.8 | -66.9 | -174.8 | 167 | 3.4 | 112.7 | E174 F177 L181 D189 A190 K195 R196 A197 | E174-R193 IonicContact OE1-NH1 2.66Å; E174-R193 PolarHBondContact OE1-NH1 3.43Å; E174-R193 VanDerWaalsContact OE1-NH1 3.12Å; E174-R193 WeakPolarHBondContact OE2-CD 3.39Å; E174-R193 IonicContact OE2-CZ 3.2Å; E174-R193 IonicContact OE2-NE 2.73Å; E174-R193 IonicContact OE2-NH1 3.73Å; E174-R193 PolarHBondContact OE2-NH1 2.97Å; F177-R193 HydrophobicContact CB-CG 4.15Å; L181-R193 HydrophobicContact CD1-CG 3.67Å; D189-R193 PolarHBondContact O-N 3.49Å; A190-R193 PolarHBondContact O-N 3.08Å; R193-K195 VanDerWaalsContact C-N 3.32Å; R193-K195 PolarHBondContact O-N 2.86Å; R193-R196 WeakPolarHBondContact O-CB 3.37Å; R193-R196 PolarHBondContact O-N 2.78Å; R193-R196 VanDerWaalsContact O-N 3.15Å; R193-A197 PolarHBondContact O-N 2.92Å |
| 194 | Y | 98.4 | Very high | 92.3 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 176.9 | -61.2 | -47.5 | 0 | 0 | 0 | 113 | R175 G178 N179 F182 A190 R196 A197 L198 V221 N224 T228 | R175-Y194 HydrophobicContact CG-CD1 4.25Å; R175-Y194 HydrophobicContact CG-CE1 4.1Å; R175-Y194 VanDerWaalsContact O-CE1 3.28Å; R175-Y194 WeakPolarHBondContact O-CE1 3.27Å; G178-Y194 VanDerWaalsContact C-OH 3.24Å; G178-Y194 PolarHBondContact O-OH 3.09Å; N179-Y194 VanDerWaalsContact CA-OH 3.25Å; N179-Y194 WeakPolarHBondContact CA-OH 3.45Å; N179-Y194 PolarHBondContact N-OH 3.03Å; N179-Y194 VanDerWaalsContact N-OH 3.16Å; N179-Y194 WeakPolarHBondContact OD1-CE1 3.36Å; N179-Y194 PolarHBondContact OD1-OH 3.35Å; F182-Y194 HydrophobicContact CD2-CE2 4.4Å; A190-Y194 HydrophobicContact CB-CD2 4.37Å; A190-Y194 HydrophobicContact CB-CE2 3.88Å; A190-Y194 WeakPolarHBondContact O-CD2 3.01Å; A190-Y194 PolarHBondContact O-N 3.49Å; Y194-R196 VanDerWaalsContact C-N 3.34Å; Y194-A197 PolarHBondContact O-N 3.24Å; Y194-L198 PolarHBondContact O-N 3.18Å; Y194-V221 VanDerWaalsContact O-CG1 3.22Å; Y194-V221 WeakPolarHBondContact O-CG1 3.33Å; Y194-N224 HydrophobicContact CD1-CB 3.98Å; Y194-N224 HydrophobicContact CD2-CB 4.12Å; Y194-N224 HydrophobicContact CE1-CB 3.68Å; Y194-N224 VanDerWaalsContact CE1-ND2 3.27Å; Y194-N224 WeakPolarHBondContact CE1-ND2 3.12Å; Y194-N224 HydrophobicContact CE2-CB 3.85Å; Y194-N224 HydrophobicContact CG-CB 4.19Å; Y194-T228 VanDerWaalsContact CE2-OG1 3.29Å; Y194-T228 WeakPolarHBondContact CE2-OG1 3.37Å |
| 195 | K | 97.5 | Very high | 91 | Very high | 89 Ų | 89 | 67.9 Ų | 67.9 | 39% | 0.387 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65 | -39 | 174.3 | -81.2 | -169 | 172.7 | -169.8 | 0 | 112.1 | K191 V192 R193 L198 L199 L225 Y229 | K191-K195 HydrophobicContact CG-CD 4.48Å; K191-K195 WeakPolarHBondContact O-CB 3.4Å; K191-K195 WeakPolarHBondContact O-CG 3.5Å; K191-K195 PolarHBondContact O-N 2.81Å; V192-K195 PolarHBondContact O-N 2.66Å; R193-K195 VanDerWaalsContact C-N 3.32Å; R193-K195 PolarHBondContact O-N 2.86Å; K195-L198 PolarHBondContact O-N 3.03Å; K195-L199 WeakPolarHBondContact O-CB 3.4Å; K195-L199 PolarHBondContact O-N 2.82Å; K195-L225 HydrophobicContact CG-CD2 3.94Å; K195-Y229 WeakPolarHBondContact CE-OH 3.43Å; K195-Y229 PolarHBondContact NZ-OH 3.44Å |
| 196 | R | 95.4 | Very high | 89.6 | Confident | 97 Ų | 97 | 62.9 Ų | 62.9 | 37% | 0.366 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -48.2 | 174 | -171.5 | 174.7 | -172 | -165.5 | 13.3 | 110.9 | C152 E174 V192 R193 Y194 L198 L199 L200 | C152-R196 PolarHBondContact SG-NH2 3.27Å; E174-R196 HydrophobicContact CG-CG 4.34Å; E174-R196 IonicContact OE1-CZ 2.93Å; E174-R196 IonicContact OE1-NE 2.57Å; E174-R196 IonicContact OE1-NH1 2.82Å; E174-R196 PolarHBondContact OE1-NH1 2.83Å; V192-R196 PolarHBondContact O-N 3.49Å; R193-R196 WeakPolarHBondContact O-CB 3.37Å; R193-R196 PolarHBondContact O-N 2.78Å; R193-R196 VanDerWaalsContact O-N 3.15Å; Y194-R196 VanDerWaalsContact C-N 3.34Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 3.31Å; R196-L199 WeakPolarHBondContact O-CB 3.46Å; R196-L199 PolarHBondContact O-N 2.86Å; R196-L199 VanDerWaalsContact O-N 3.16Å; R196-L200 WeakPolarHBondContact O-CG 3.41Å; R196-L200 PolarHBondContact O-N 3.38Å |
| 197 | A | 95.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -55.1 | -47.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A171 E174 R193 Y194 L199 L200 L201 V221 | A171-A197 HydrophobicContact CB-CB 4.5Å; A171-A197 WeakPolarHBondContact O-CB 3.28Å; E174-A197 HydrophobicContact CB-CB 3.88Å; R193-A197 PolarHBondContact O-N 2.92Å; Y194-A197 PolarHBondContact O-N 3.24Å; A197-L199 VanDerWaalsContact C-N 3.35Å; A197-L199 PolarHBondContact O-N 3.18Å; A197-L200 PolarHBondContact O-N 2.85Å; A197-L201 WeakPolarHBondContact O-CG 3.46Å; A197-L201 PolarHBondContact O-N 3.43Å; A197-V221 HydrophobicContact CB-CG1 4.06Å; A197-V221 HydrophobicContact CB-CG2 4.09Å |
| 198 | L | 95.8 | Very high | 87.3 | Confident | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.7 | -35.8 | 178.8 | -174.9 | 60 | 0 | 0 | 0 | 112.9 | Y194 K195 R196 L201 R202 K218 V221 L222 L225 Y241 | Y194-L198 PolarHBondContact O-N 3.18Å; K195-L198 PolarHBondContact O-N 3.03Å; R196-L198 VanDerWaalsContact C-N 3.33Å; R196-L198 PolarHBondContact O-N 3.31Å; L198-L201 PolarHBondContact O-N 3.04Å; L198-R202 HydrophobicContact CD1-CG 4.43Å; L198-R202 HydrophobicContact CG-CG 4.5Å; L198-R202 WeakPolarHBondContact O-CB 3.38Å; L198-R202 VanDerWaalsContact O-CG 3.32Å; L198-R202 WeakPolarHBondContact O-CG 3.38Å; L198-R202 PolarHBondContact O-N 3.32Å; L198-R202 VanDerWaalsContact O-N 3.1Å; L198-K218 HydrophobicContact CD1-CG 4.2Å; L198-V221 HydrophobicContact CB-CG1 3.96Å; L198-L222 HydrophobicContact CD1-CD2 4Å; L198-L222 HydrophobicContact CD1-CG 4.41Å; L198-L222 HydrophobicContact CD2-CD2 3.89Å; L198-L225 HydrophobicContact CB-CD1 4.28Å; L198-L225 HydrophobicContact CD2-CD1 3.68Å; L198-Y241 HydrophobicContact CD2-CD1 4.43Å; L198-Y241 HydrophobicContact CD2-CE1 3.67Å |
| 199 | L | 92.9 | Very high | 86.2 | Confident | 81 Ų | 81 | 69.5 Ų | 69.5 | 42% | 0.424 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 176.7 | -179.4 | 64.7 | 0 | 0 | 0 | 111.2 | K195 R196 A197 L201 R202 R203 | K195-L199 WeakPolarHBondContact O-CB 3.4Å; K195-L199 PolarHBondContact O-N 2.82Å; R196-L199 WeakPolarHBondContact O-CB 3.46Å; R196-L199 PolarHBondContact O-N 2.86Å; R196-L199 VanDerWaalsContact O-N 3.16Å; A197-L199 VanDerWaalsContact C-N 3.35Å; A197-L199 PolarHBondContact O-N 3.18Å; L199-L201 VanDerWaalsContact C-N 3.27Å; L199-L201 PolarHBondContact O-N 3.27Å; L199-R202 PolarHBondContact O-N 3.03Å; L199-R202 VanDerWaalsContact O-N 3.11Å; L199-R203 HydrophobicContact CD1-CG 4.16Å; L199-R203 HydrophobicContact CG-CG 4.43Å; L199-R203 WeakPolarHBondContact O-CG 3.38Å; L199-R203 PolarHBondContact O-N 2.96Å; L199-R203 VanDerWaalsContact O-N 3.08Å |
| 200 | L | 91.5 | Very high | 85.7 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 176.1 | -66.3 | 170.4 | 0 | 0 | 0 | 111.7 | F151 V167 V170 A171 E174 R196 A197 R202 | F151-L200 HydrophobicContact CD1-CD2 4.3Å; F151-L200 HydrophobicContact CE1-CD2 3.37Å; F151-L200 HydrophobicContact CZ-CD2 3.63Å; V167-L200 HydrophobicContact CG1-CB 4.32Å; V170-L200 HydrophobicContact CB-CD1 4.43Å; V170-L200 HydrophobicContact CG1-CD1 3.64Å; A171-L200 HydrophobicContact CB-CB 4.4Å; A171-L200 HydrophobicContact CB-CD1 4.47Å; E174-L200 HydrophobicContact CG-CD1 4.38Å; R196-L200 WeakPolarHBondContact O-CG 3.41Å; R196-L200 PolarHBondContact O-N 3.38Å; A197-L200 PolarHBondContact O-N 2.85Å; L200-R202 VanDerWaalsContact C-N 3.31Å; L200-R202 PolarHBondContact O-N 3.19Å |
| 201 | L | 90.8 | Very high | 85.1 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -76.1 | -13.9 | 179 | -62.7 | 172.6 | 0 | 0 | 0 | 114.2 | L168 A171 A197 L198 L199 V214 A217 K218 V221 | L168-L201 HydrophobicContact CD2-CD2 3.59Å; A171-L201 HydrophobicContact CB-CD1 4.19Å; A171-L201 HydrophobicContact CB-CD2 3.81Å; A171-L201 HydrophobicContact CB-CG 3.82Å; A197-L201 WeakPolarHBondContact O-CG 3.46Å; A197-L201 PolarHBondContact O-N 3.43Å; L198-L201 PolarHBondContact O-N 3.04Å; L199-L201 VanDerWaalsContact C-N 3.27Å; L199-L201 PolarHBondContact O-N 3.27Å; L201-V214 HydrophobicContact CB-CG1 4.42Å; L201-V214 WeakPolarHBondContact O-CG1 3.37Å; L201-A217 HydrophobicContact CD1-CB 4.08Å; L201-A217 HydrophobicContact CD2-CB 3.91Å; L201-K218 HydrophobicContact CB-CG 3.8Å; L201-K218 HydrophobicContact CD1-CB 4.42Å; L201-K218 HydrophobicContact CD1-CG 3.84Å; L201-K218 HydrophobicContact CG-CG 4.42Å; L201-K218 WeakPolarHBondContact O-CE 3.33Å; L201-V221 HydrophobicContact CD1-CG2 4.28Å |
| 202 | R | 86.4 | Confident | 84.7 | Confident | 129 Ų | 129 | 74 Ų | 74 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -97.2 | -33.2 | 179.6 | -79.2 | 177.4 | 175.2 | -179.4 | -1.6 | 113.7 | L198 L199 L200 R204 | L198-R202 HydrophobicContact CD1-CG 4.43Å; L198-R202 HydrophobicContact CG-CG 4.5Å; L198-R202 WeakPolarHBondContact O-CB 3.38Å; L198-R202 VanDerWaalsContact O-CG 3.32Å; L198-R202 WeakPolarHBondContact O-CG 3.38Å; L198-R202 PolarHBondContact O-N 3.32Å; L198-R202 VanDerWaalsContact O-N 3.1Å; L199-R202 PolarHBondContact O-N 3.03Å; L199-R202 VanDerWaalsContact O-N 3.11Å; L200-R202 VanDerWaalsContact C-N 3.31Å; L200-R202 PolarHBondContact O-N 3.19Å; R202-R204 PolarHBondContact O-N 3.04Å |
| 203 | R | 72.9 | Confident | 84.3 | Confident | 165 Ų | 165 | 72.6 Ų | 72.6 | 62% | 0.623 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -65 | -20.2 | -174.1 | -79.6 | -176.1 | 175.6 | -168.4 | -2 | 113.6 | L199 | L199-R203 HydrophobicContact CD1-CG 4.16Å; L199-R203 HydrophobicContact CG-CG 4.43Å; L199-R203 WeakPolarHBondContact O-CG 3.38Å; L199-R203 PolarHBondContact O-N 2.96Å; L199-R203 VanDerWaalsContact O-N 3.08Å |
| 204 | R | 65.6 | Low | 84.1 | Confident | 77 Ų | 77 | 69.3 Ų | 69.3 | 29% | 0.291 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -98.9 | 120.9 | -178.2 | -143.9 | -169.1 | -170.9 | 135 | 6.6 | 111.4 | Y162 R202 A206 | Y162-R204 PolarHBondContact O-NH1 2.79Å; Y162-R204 PolarHBondContact O-NH2 3.07Å; R202-R204 PolarHBondContact O-N 3.04Å; R204-A206 PolarHBondContact O-N 3.29Å |
| 205 | S | 61.6 | Low | 83.8 | Confident | 121 Ų | 121 | 71.3 Ų | 71.3 | 85% | 0.846 | 36% | 0.356 | S | S | * | . | trans | -65.5 | 100.1 | 155.9 | -76.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 206 | A | 63 | Low | 83.6 | Confident | 14 Ų | 14 | 70.2 Ų | 70.2 | 12% | 0.116 | 36% | 0.363 | C | S | . | . | trans | -69.7 | 139.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | R204 A210 V214 | R204-A206 PolarHBondContact O-N 3.29Å; A206-A210 HydrophobicContact CB-CB 4.46Å; A206-V214 HydrophobicContact CB-CG2 3.96Å | ||
| 207 | P | 70.7 | Confident | 83.6 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | trans | -52.1 | 147.4 | 163.2 | -21.6 | 31.7 | 0 | 0 | 0 | 109.5 | E209 A210 Q211 | P207-E209 PolarHBondContact O-N 3.43Å; P207-A210 PolarHBondContact O-N 3.12Å; P207-Q211 PolarHBondContact O-N 2.88Å | ||
| 208 | S | 72.7 | Confident | 83.6 | Confident | 118 Ų | 118 | 68.3 Ų | 68.3 | 83% | 0.825 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -49.9 | -37.4 | -175 | -174.8 | 0 | 0 | 0 | 0 | 112.8 | A210 Q211 | S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.37Å; S208-Q211 WeakPolarHBondContact O-CB 3.48Å; S208-Q211 PolarHBondContact O-N 2.89Å |
| 209 | E | 75.2 | Confident | 83.7 | Confident | 171 Ų | 171 | 69.4 Ų | 69.4 | 80% | 0.799 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -63.9 | -33.1 | 178.6 | -63.2 | 171.1 | -176.6 | 0 | 0 | 113.7 | P207 H212 | P207-E209 PolarHBondContact O-N 3.43Å; E209-H212 PolarHBondContact O-CE1 3.39Å; E209-H212 PolarHBondContact O-ND1 2.95Å |
| 210 | A | 83.2 | Confident | 83.9 | Confident | 17 Ų | 17 | 67.7 Ų | 67.7 | 14% | 0.14 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -98.2 | -1.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L164 A206 P207 S208 H212 L213 V214 | L164-A210 HydrophobicContact CD2-CB 3.6Å; A206-A210 HydrophobicContact CB-CB 4.46Å; P207-A210 PolarHBondContact O-N 3.12Å; S208-A210 VanDerWaalsContact C-N 3.34Å; S208-A210 PolarHBondContact O-N 3.37Å; A210-H212 VanDerWaalsContact C-N 3.26Å; A210-H212 PolarHBondContact O-N 3.38Å; A210-L213 WeakPolarHBondContact O-CB 3.47Å; A210-L213 PolarHBondContact O-N 3.28Å; A210-V214 PolarHBondContact O-N 3.49Å |
| 211 | Q | 85.9 | Confident | 84.3 | Confident | 72 Ų | 72 | 66.9 Ų | 66.9 | 34% | 0.336 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | -179.3 | -171.4 | 65.8 | 28.6 | 0 | 0 | 111.7 | P207 S208 L213 V214 E215 | P207-Q211 PolarHBondContact O-N 2.88Å; S208-Q211 WeakPolarHBondContact O-CB 3.48Å; S208-Q211 PolarHBondContact O-N 2.89Å; Q211-L213 VanDerWaalsContact C-N 3.3Å; Q211-L213 PolarHBondContact O-N 2.98Å; Q211-V214 PolarHBondContact O-N 3.01Å; Q211-V214 VanDerWaalsContact O-N 3.16Å; Q211-E215 HydrophobicContact CG-CG 4.4Å; Q211-E215 PolarHBondContact NE2-OE1 2.99Å; Q211-E215 WeakPolarHBondContact O-CG 3.49Å; Q211-E215 PolarHBondContact O-N 2.95Å |
| 212 | H | 88.8 | Confident | 84.6 | Confident | 123 Ų | 123 | 66.9 Ų | 66.9 | 57% | 0.569 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -60.6 | -37.9 | 179.6 | 75 | -81.4 | 0 | 0 | 0 | 112.6 | E209 A210 E215 A216 | E209-H212 PolarHBondContact O-CE1 3.39Å; E209-H212 PolarHBondContact O-ND1 2.95Å; A210-H212 VanDerWaalsContact C-N 3.26Å; A210-H212 PolarHBondContact O-N 3.38Å; H212-E215 PolarHBondContact O-N 3.34Å; H212-A216 VanDerWaalsContact O-CB 3.28Å; H212-A216 WeakPolarHBondContact O-CB 3.48Å; H212-A216 PolarHBondContact O-N 2.92Å |
| 213 | L | 90.8 | Very high | 85.2 | Confident | 60 Ų | 60 | 61.5 Ų | 61.5 | 31% | 0.314 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.4 | -41.3 | 176.5 | -63.3 | 175.1 | 0 | 0 | 0 | 111.4 | L168 A210 Q211 A216 A217 | L168-L213 HydrophobicContact CD1-CB 4.16Å; A210-L213 WeakPolarHBondContact O-CB 3.47Å; A210-L213 PolarHBondContact O-N 3.28Å; Q211-L213 VanDerWaalsContact C-N 3.3Å; Q211-L213 PolarHBondContact O-N 2.98Å; L213-A216 PolarHBondContact O-N 3.5Å; L213-A217 WeakPolarHBondContact O-CB 3.35Å; L213-A217 PolarHBondContact O-N 2.95Å |
| 214 | V | 91.8 | Very high | 86.4 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -43.7 | 178.4 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | L164 L168 L201 A206 A210 Q211 A217 K218 | L164-V214 HydrophobicContact CD1-CG2 4.07Å; L164-V214 HydrophobicContact CD2-CG2 4.38Å; L168-V214 HydrophobicContact CD2-CG2 4.37Å; L201-V214 HydrophobicContact CB-CG1 4.42Å; L201-V214 WeakPolarHBondContact O-CG1 3.37Å; A206-V214 HydrophobicContact CB-CG2 3.96Å; A210-V214 PolarHBondContact O-N 3.49Å; Q211-V214 PolarHBondContact O-N 3.01Å; Q211-V214 VanDerWaalsContact O-N 3.16Å; V214-A217 PolarHBondContact O-N 2.98Å; V214-K218 HydrophobicContact CG1-CD 4.12Å; V214-K218 HydrophobicContact CG1-CG 4.4Å; V214-K218 VanDerWaalsContact O-CG 3.32Å; V214-K218 WeakPolarHBondContact O-CG 3.43Å; V214-K218 PolarHBondContact O-N 3.37Å |
| 215 | E | 92.3 | Very high | 88 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -41.5 | 176.1 | -65.3 | -49.2 | 138.9 | 0 | 0 | 112.1 | Q211 H212 A217 K218 L219 I248 | Q211-E215 HydrophobicContact CG-CG 4.4Å; Q211-E215 PolarHBondContact NE2-OE1 2.99Å; Q211-E215 WeakPolarHBondContact O-CG 3.49Å; Q211-E215 PolarHBondContact O-N 2.95Å; H212-E215 PolarHBondContact O-N 3.34Å; E215-A217 VanDerWaalsContact C-N 3.26Å; E215-A217 PolarHBondContact O-N 3.15Å; E215-K218 PolarHBondContact O-N 3.21Å; E215-K218 VanDerWaalsContact O-N 3.13Å; E215-K218 IonicContact OE1-NZ 3.74Å; E215-K218 PolarHBondContact OE1-NZ 3.2Å; E215-K218 WeakPolarHBondContact OE2-CD 3.29Å; E215-K218 IonicContact OE2-NZ 2.7Å; E215-L219 PolarHBondContact O-N 2.94Å; E215-I248 HydrophobicContact CB-CD1 4.44Å; E215-I248 HydrophobicContact CB-CG1 4.47Å; E215-I248 HydrophobicContact CB-CG2 4.02Å; E215-I248 WeakPolarHBondContact OE2-CD1 3.46Å; E215-I248 VanDerWaalsContact OE2-CG1 3.3Å; E215-I248 WeakPolarHBondContact OE2-CG1 3.46Å |
| 216 | A | 93.5 | Very high | 89.8 | Confident | 65 Ų | 65 | 45.5 Ų | 45.5 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.8 | -37.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | H212 L213 P220 | H212-A216 VanDerWaalsContact O-CB 3.28Å; H212-A216 WeakPolarHBondContact O-CB 3.48Å; H212-A216 PolarHBondContact O-N 2.92Å; L213-A216 PolarHBondContact O-N 3.5Å; A216-P220 WeakPolarHBondContact O-CD 3.15Å |
| 217 | A | 95.1 | Very high | 91.5 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.8 | -33.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L168 L201 L213 V214 E215 P220 | L168-A217 HydrophobicContact CD2-CB 3.83Å; L201-A217 HydrophobicContact CD1-CB 4.08Å; L201-A217 HydrophobicContact CD2-CB 3.91Å; L213-A217 WeakPolarHBondContact O-CB 3.35Å; L213-A217 PolarHBondContact O-N 2.95Å; V214-A217 PolarHBondContact O-N 2.98Å; E215-A217 VanDerWaalsContact C-N 3.26Å; E215-A217 PolarHBondContact O-N 3.15Å; A217-P220 WeakPolarHBondContact O-CD 3.41Å; A217-P220 WeakPolarHBondContact O-CG 3.49Å |
| 218 | K | 96 | Very high | 92.8 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 13% | 0.13 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -41.4 | 177.4 | -77.8 | 170.2 | -178.9 | 166.7 | 0 | 111.9 | L198 L201 V214 E215 V221 L222 I248 | L198-K218 HydrophobicContact CD1-CG 4.2Å; L201-K218 HydrophobicContact CB-CG 3.8Å; L201-K218 HydrophobicContact CD1-CB 4.42Å; L201-K218 HydrophobicContact CD1-CG 3.84Å; L201-K218 HydrophobicContact CG-CG 4.42Å; L201-K218 WeakPolarHBondContact O-CE 3.33Å; V214-K218 HydrophobicContact CG1-CD 4.12Å; V214-K218 HydrophobicContact CG1-CG 4.4Å; V214-K218 VanDerWaalsContact O-CG 3.32Å; V214-K218 WeakPolarHBondContact O-CG 3.43Å; V214-K218 PolarHBondContact O-N 3.37Å; E215-K218 PolarHBondContact O-N 3.21Å; E215-K218 VanDerWaalsContact O-N 3.13Å; E215-K218 IonicContact OE1-NZ 3.74Å; E215-K218 PolarHBondContact OE1-NZ 3.2Å; E215-K218 WeakPolarHBondContact OE2-CD 3.29Å; E215-K218 IonicContact OE2-NZ 2.7Å; K218-V221 WeakPolarHBondContact O-CA 3.41Å; K218-V221 WeakPolarHBondContact O-CB 3.4Å; K218-V221 PolarHBondContact O-N 2.97Å; K218-L222 HydrophobicContact CB-CD1 4.23Å; K218-L222 WeakPolarHBondContact O-CG 3.44Å; K218-L222 PolarHBondContact O-N 3.34Å; K218-I248 HydrophobicContact CB-CD1 3.94Å |
| 219 | L | 97.2 | Very high | 94 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 15% | 0.147 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -48.8 | -55.3 | -175.2 | -179.7 | 60.8 | 0 | 0 | 0 | 113.6 | E215 V221 L222 L223 A245 I248 D249 | E215-L219 PolarHBondContact O-N 2.94Å; L219-V221 VanDerWaalsContact C-N 3.28Å; L219-V221 PolarHBondContact O-N 2.73Å; L219-L222 PolarHBondContact O-N 3.11Å; L219-L223 HydrophobicContact CD1-CD1 4.25Å; L219-L223 HydrophobicContact CD1-CG 4.28Å; L219-L223 HydrophobicContact CG-CD1 4.2Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.4Å; L219-A245 HydrophobicContact CD1-CB 3.81Å; L219-I248 HydrophobicContact CB-CD1 4.41Å; L219-I248 HydrophobicContact CB-CG2 4.24Å; L219-I248 HydrophobicContact CD1-CB 4.41Å; L219-D249 HydrophobicContact CD1-CB 4.34Å; L219-D249 HydrophobicContact CD2-CB 3.98Å |
| 220 | P | 98.1 | Very high | 95.1 | Very high | 44 Ų | 44 | 31.4 Ų | 31.4 | 29% | 0.286 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -64.7 | -30.2 | 178.9 | 26.4 | -35.7 | 0 | 0 | 0 | 113.2 | A216 A217 N224 | A216-P220 WeakPolarHBondContact O-CD 3.15Å; A217-P220 WeakPolarHBondContact O-CD 3.41Å; A217-P220 WeakPolarHBondContact O-CG 3.49Å; P220-N224 WeakPolarHBondContact O-CB 3.33Å; P220-N224 PolarHBondContact O-N 3.32Å |
| 221 | V | 98.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.2 | -44.4 | 176.4 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | R175 Y194 A197 L198 L201 K218 L219 N224 L225 | R175-V221 HydrophobicContact CB-CG2 4.19Å; R175-V221 HydrophobicContact CG-CG2 4.13Å; Y194-V221 VanDerWaalsContact O-CG1 3.22Å; Y194-V221 WeakPolarHBondContact O-CG1 3.33Å; A197-V221 HydrophobicContact CB-CG1 4.06Å; A197-V221 HydrophobicContact CB-CG2 4.09Å; L198-V221 HydrophobicContact CB-CG1 3.96Å; L201-V221 HydrophobicContact CD1-CG2 4.28Å; K218-V221 WeakPolarHBondContact O-CA 3.41Å; K218-V221 WeakPolarHBondContact O-CB 3.4Å; K218-V221 PolarHBondContact O-N 2.97Å; L219-V221 VanDerWaalsContact C-N 3.28Å; L219-V221 PolarHBondContact O-N 2.73Å; V221-N224 PolarHBondContact O-N 3.29Å; V221-L225 HydrophobicContact CG1-CD1 4.16Å; V221-L225 WeakPolarHBondContact O-CG 3.18Å; V221-L225 PolarHBondContact O-N 3.34Å |
| 222 | L | 98.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 34.5 Ų | 34.5 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 176.9 | -68.4 | 169.9 | 0 | 0 | 0 | 111.4 | L198 K218 L219 N224 L225 S226 Y241 Q244 A245 I248 | L198-L222 HydrophobicContact CD1-CD2 4Å; L198-L222 HydrophobicContact CD1-CG 4.41Å; L198-L222 HydrophobicContact CD2-CD2 3.89Å; K218-L222 HydrophobicContact CB-CD1 4.23Å; K218-L222 WeakPolarHBondContact O-CG 3.44Å; K218-L222 PolarHBondContact O-N 3.34Å; L219-L222 PolarHBondContact O-N 3.11Å; L222-N224 VanDerWaalsContact C-N 3.34Å; L222-N224 PolarHBondContact O-N 3.38Å; L222-L225 PolarHBondContact O-N 3.17Å; L222-S226 WeakPolarHBondContact O-CB 3.43Å; L222-S226 PolarHBondContact O-N 3.26Å; L222-Y241 HydrophobicContact CD2-CD1 3.67Å; L222-Y241 HydrophobicContact CD2-CE1 4.24Å; L222-Q244 HydrophobicContact CD1-CB 4.07Å; L222-Q244 HydrophobicContact CD2-CB 4.1Å; L222-A245 HydrophobicContact CB-CB 4.05Å; L222-I248 HydrophobicContact CD1-CD1 3.58Å |
| 223 | L | 98.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 8% | 0.084 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54 | -51.7 | 172.2 | -79.4 | 178.9 | 0 | 0 | 0 | 110.8 | L219 L225 S226 F227 A245 K254 A255 R258 | L219-L223 HydrophobicContact CD1-CD1 4.25Å; L219-L223 HydrophobicContact CD1-CG 4.28Å; L219-L223 HydrophobicContact CG-CD1 4.2Å; L219-L223 WeakPolarHBondContact O-CB 3.45Å; L219-L223 VanDerWaalsContact O-CG 3.27Å; L219-L223 WeakPolarHBondContact O-CG 3.49Å; L219-L223 PolarHBondContact O-N 3.4Å; L223-L225 PolarHBondContact O-N 2.89Å; L223-S226 PolarHBondContact O-N 2.93Å; L223-F227 PolarHBondContact O-N 3.39Å; L223-A245 HydrophobicContact CD2-CB 4.18Å; L223-A245 HydrophobicContact CG-CB 4.33Å; L223-K254 HydrophobicContact CD2-CB 4.08Å; L223-A255 HydrophobicContact CD2-CB 3.69Å; L223-R258 VanDerWaalsContact CB-NH1 3.26Å; L223-R258 PolarHBondContact O-NH1 3.28Å |
| 224 | N | 98.6 | Very high | 97.2 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 15% | 0.15 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 179.2 | -76.3 | -6.6 | 0 | 0 | 0 | 112.9 | N179 Y194 P220 V221 L222 F227 T228 | N179-N224 PolarHBondContact OD1-ND2 3.16Å; Y194-N224 HydrophobicContact CD1-CB 3.98Å; Y194-N224 HydrophobicContact CD2-CB 4.12Å; Y194-N224 HydrophobicContact CE1-CB 3.68Å; Y194-N224 VanDerWaalsContact CE1-ND2 3.27Å; Y194-N224 WeakPolarHBondContact CE1-ND2 3.12Å; Y194-N224 HydrophobicContact CE2-CB 3.85Å; Y194-N224 HydrophobicContact CG-CB 4.19Å; P220-N224 WeakPolarHBondContact O-CB 3.33Å; P220-N224 PolarHBondContact O-N 3.32Å; V221-N224 PolarHBondContact O-N 3.29Å; L222-N224 VanDerWaalsContact C-N 3.34Å; L222-N224 PolarHBondContact O-N 3.38Å; N224-F227 PolarHBondContact O-N 3.06Å; N224-T228 VanDerWaalsContact O-CB 3.31Å; N224-T228 WeakPolarHBondContact O-CB 3.3Å; N224-T228 PolarHBondContact O-N 3.26Å; N224-T228 PolarHBondContact O-OG1 3.37Å |
| 225 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 174.8 | -79.9 | 166.4 | 0 | 0 | 0 | 111.7 | K195 L198 V221 L222 L223 F227 T228 Y229 Y241 | K195-L225 HydrophobicContact CG-CD2 3.94Å; L198-L225 HydrophobicContact CB-CD1 4.28Å; L198-L225 HydrophobicContact CD2-CD1 3.68Å; V221-L225 HydrophobicContact CG1-CD1 4.16Å; V221-L225 WeakPolarHBondContact O-CG 3.18Å; V221-L225 PolarHBondContact O-N 3.34Å; L222-L225 PolarHBondContact O-N 3.17Å; L223-L225 PolarHBondContact O-N 2.89Å; L225-F227 VanDerWaalsContact C-N 3.3Å; L225-F227 PolarHBondContact O-N 3.16Å; L225-T228 PolarHBondContact O-N 2.89Å; L225-Y229 HydrophobicContact CD2-CE2 4.18Å; L225-Y229 VanDerWaalsContact O-CD2 3.25Å; L225-Y229 WeakPolarHBondContact O-CD2 3.32Å; L225-Y229 PolarHBondContact O-N 3.36Å; L225-Y241 HydrophobicContact CB-CD1 4.19Å; L225-Y241 HydrophobicContact CB-CD2 3.97Å; L225-Y241 HydrophobicContact CB-CE1 4.49Å; L225-Y241 HydrophobicContact CB-CE2 4.29Å; L225-Y241 HydrophobicContact CB-CG 3.91Å; L225-Y241 HydrophobicContact CD1-CD1 4.12Å; L225-Y241 HydrophobicContact CD1-CE1 3.76Å |
| 226 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -54.4 | -49.2 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | L222 L223 T228 Y229 L230 A238 | L222-S226 WeakPolarHBondContact O-CB 3.43Å; L222-S226 PolarHBondContact O-N 3.26Å; L223-S226 PolarHBondContact O-N 2.93Å; S226-T228 PolarHBondContact O-N 3.21Å; S226-Y229 PolarHBondContact O-N 3.36Å; S226-L230 PolarHBondContact O-N 3.11Å; S226-A238 WeakPolarHBondContact CB-O 3.26Å; S226-A238 WeakPolarHBondContact O-CB 3.43Å; S226-A238 PolarHBondContact OG-O 2.95Å |
| 227 | F | 98.6 | Very high | 98 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 25% | 0.246 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.6 | -39.6 | 178.7 | -168.3 | -143.5 | 0 | 0 | 0 | 113.5 | F182 L223 N224 L225 Y229 L230 K231 | F182-F227 AromaticContact CE1-CD1 3.92Å; F182-F227 HydrophobicContact CE1-CD1 3.92Å; F182-F227 AromaticContact CE1-CE1 3.6Å; F182-F227 HydrophobicContact CE1-CE1 3.6Å; F182-F227 AromaticContact CE2-CD1 3.89Å; F182-F227 HydrophobicContact CE2-CD1 3.89Å; F182-F227 HydrophobicContact CE2-CE1 4.31Å; F182-F227 HydrophobicContact CE2-CG 4.48Å; F182-F227 AromaticContact CZ-CD1 3.26Å; F182-F227 HydrophobicContact CZ-CD1 3.26Å; F182-F227 AromaticContact CZ-CE1 3.26Å; F182-F227 HydrophobicContact CZ-CE1 3.26Å; F182-F227 HydrophobicContact CZ-CG 4.11Å; F182-F227 HydrophobicContact CZ-CZ 4.09Å; L223-F227 PolarHBondContact O-N 3.39Å; N224-F227 PolarHBondContact O-N 3.06Å; L225-F227 VanDerWaalsContact C-N 3.3Å; L225-F227 PolarHBondContact O-N 3.16Å; F227-Y229 VanDerWaalsContact C-N 3.29Å; F227-Y229 PolarHBondContact O-N 2.87Å; F227-L230 HydrophobicContact CD2-CD1 4.38Å; F227-L230 WeakPolarHBondContact O-CB 3.38Å; F227-L230 PolarHBondContact O-N 2.91Å; F227-K231 HydrophobicContact CE2-CG 4.47Å; F227-K231 VanDerWaalsContact CZ-CE 3.47Å; F227-K231 PolarHBondContact O-N 3.08Å |
| 228 | T | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 111.2 | F182 F187 K191 Y194 N224 L225 S226 K231 L232 | F182-T228 WeakPolarHBondContact CD2-OG1 3.37Å; F187-T228 HydrophobicContact CB-CG2 4.13Å; F187-T228 VanDerWaalsContact O-CG2 3.23Å; F187-T228 WeakPolarHBondContact O-CG2 3.47Å; K191-T228 HydrophobicContact CB-CG2 3.91Å; Y194-T228 VanDerWaalsContact CE2-OG1 3.29Å; Y194-T228 WeakPolarHBondContact CE2-OG1 3.37Å; N224-T228 VanDerWaalsContact O-CB 3.31Å; N224-T228 WeakPolarHBondContact O-CB 3.3Å; N224-T228 PolarHBondContact O-N 3.26Å; N224-T228 PolarHBondContact O-OG1 3.37Å; L225-T228 PolarHBondContact O-N 2.89Å; S226-T228 PolarHBondContact O-N 3.21Å; T228-K231 PolarHBondContact O-N 2.93Å; T228-L232 HydrophobicContact CG2-CD1 4.08Å; T228-L232 VanDerWaalsContact O-CG 3.28Å; T228-L232 WeakPolarHBondContact O-CG 3.4Å; T228-L232 PolarHBondContact O-N 3.17Å |
| 229 | Y | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -72.5 | -29.2 | 176.8 | -82.9 | -68.2 | 0 | 0 | 0 | 113.6 | K191 K195 L225 S226 F227 L232 D233 R234 I237 Y241 | K191-Y229 HydrophobicContact CD-CE1 4.01Å; K191-Y229 HydrophobicContact CD-CE2 4.49Å; K191-Y229 HydrophobicContact CG-CE2 4.17Å; K195-Y229 WeakPolarHBondContact CE-OH 3.43Å; K195-Y229 PolarHBondContact NZ-OH 3.44Å; L225-Y229 HydrophobicContact CD2-CE2 4.18Å; L225-Y229 VanDerWaalsContact O-CD2 3.25Å; L225-Y229 WeakPolarHBondContact O-CD2 3.32Å; L225-Y229 PolarHBondContact O-N 3.36Å; S226-Y229 PolarHBondContact O-N 3.36Å; F227-Y229 VanDerWaalsContact C-N 3.29Å; F227-Y229 PolarHBondContact O-N 2.87Å; Y229-L232 HydrophobicContact CD1-CD1 4.36Å; Y229-L232 CarbonylContact O-C 3.48Å; Y229-L232 PolarHBondContact O-N 3.06Å; Y229-D233 PolarHBondContact O-N 3.21Å; Y229-R234 HydrophobicContact CD1-CB 3.81Å; Y229-R234 HydrophobicContact CD1-CG 4.24Å; Y229-R234 PolarHBondContact O-N 2.81Å; Y229-I237 HydrophobicContact CD1-CB 4.05Å; Y229-I237 HydrophobicContact CD1-CD1 4.34Å; Y229-I237 HydrophobicContact CD1-CG2 3.89Å; Y229-I237 HydrophobicContact CD2-CB 4.45Å; Y229-I237 HydrophobicContact CD2-CG2 3.62Å; Y229-I237 HydrophobicContact CE1-CB 4.27Å; Y229-I237 HydrophobicContact CE1-CD1 3.93Å; Y229-I237 HydrophobicContact CE1-CG2 3.83Å; Y229-I237 HydrophobicContact CE2-CG2 3.61Å; Y229-I237 HydrophobicContact CG-CB 4.1Å; Y229-I237 HydrophobicContact CG-CG2 3.75Å; Y229-Y241 AromaticContact CD2-CD2 3.77Å; Y229-Y241 HydrophobicContact CD2-CD2 3.77Å; Y229-Y241 AromaticContact CD2-CE2 3.76Å; Y229-Y241 HydrophobicContact CD2-CE2 3.76Å; Y229-Y241 AromaticContact CE2-CD2 3.96Å; Y229-Y241 HydrophobicContact CE2-CD2 3.96Å; Y229-Y241 AromaticContact CE2-CE2 3.42Å; Y229-Y241 HydrophobicContact CE2-CE2 3.42Å; Y229-Y241 VanDerWaalsContact CE2-CE2 3.42Å |
| 230 | L | 98.2 | Very high | 98.3 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 166.8 | -71.4 | 173.1 | 0 | 0 | 0 | 111.1 | S226 F227 L232 D233 A238 R258 Q261 A262 L265 | S226-L230 PolarHBondContact O-N 3.11Å; F227-L230 HydrophobicContact CD2-CD1 4.38Å; F227-L230 WeakPolarHBondContact O-CB 3.38Å; F227-L230 PolarHBondContact O-N 2.91Å; L230-L232 PolarHBondContact O-N 3.1Å; L230-D233 PolarHBondContact O-N 3.44Å; L230-D233 VanDerWaalsContact O-N 3.12Å; L230-A238 HydrophobicContact CD2-CB 3.82Å; L230-A238 HydrophobicContact CG-CB 3.77Å; L230-R258 HydrophobicContact CD1-CB 3.92Å; L230-R258 HydrophobicContact CD1-CG 4Å; L230-Q261 HydrophobicContact CD1-CB 4.1Å; L230-Q261 HydrophobicContact CD2-CB 4.35Å; L230-A262 HydrophobicContact CD2-CB 3.92Å; L230-L265 HydrophobicContact CD2-CD1 4.04Å |
| 231 | K | 98.2 | Very high | 98.4 | Very high | 110 Ų | 110 | 44.7 Ų | 44.7 | 48% | 0.478 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.5 | -21.7 | 176.7 | -66 | -60.6 | -176.7 | -177.1 | 0 | 114 | F182 F187 F227 T228 | F182-K231 HydrophobicContact CE2-CG 4.2Å; F182-K231 HydrophobicContact CZ-CG 3.87Å; F187-K231 HydrophobicContact CD1-CB 3.88Å; F187-K231 HydrophobicContact CD1-CG 4.23Å; F187-K231 HydrophobicContact CD2-CB 3.89Å; F187-K231 HydrophobicContact CE1-CB 3.99Å; F187-K231 HydrophobicContact CE1-CG 3.93Å; F187-K231 HydrophobicContact CE2-CB 3.99Å; F187-K231 HydrophobicContact CE2-CG 4.48Å; F187-K231 HydrophobicContact CG-CB 3.84Å; F187-K231 HydrophobicContact CZ-CB 4.04Å; F187-K231 HydrophobicContact CZ-CD 4.28Å; F187-K231 HydrophobicContact CZ-CG 4.07Å; F227-K231 HydrophobicContact CE2-CG 4.47Å; F227-K231 VanDerWaalsContact CZ-CE 3.47Å; F227-K231 PolarHBondContact O-N 3.08Å; T228-K231 PolarHBondContact O-N 2.93Å |
| 232 | L | 97.9 | Very high | 98.4 | Very high | 44 Ų | 44 | 44.6 Ų | 44.6 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 7.6 | 175.6 | -69.4 | 172 | 0 | 0 | 0 | 113.3 | F187 K191 T228 Y229 L230 R234 | F187-L232 HydrophobicContact CB-CD1 4.43Å; F187-L232 HydrophobicContact CB-CD2 3.67Å; F187-L232 HydrophobicContact CB-CG 3.86Å; K191-L232 HydrophobicContact CB-CD1 4.38Å; K191-L232 HydrophobicContact CD-CD1 4.09Å; T228-L232 HydrophobicContact CG2-CD1 4.08Å; T228-L232 VanDerWaalsContact O-CG 3.28Å; T228-L232 WeakPolarHBondContact O-CG 3.4Å; T228-L232 PolarHBondContact O-N 3.17Å; Y229-L232 HydrophobicContact CD1-CD1 4.36Å; Y229-L232 CarbonylContact O-C 3.48Å; Y229-L232 PolarHBondContact O-N 3.06Å; L230-L232 PolarHBondContact O-N 3.1Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 HydrophobicContact CB-CG 4.48Å; L232-R234 PolarHBondContact O-N 2.72Å |
| 233 | D | 97.6 | Very high | 98.3 | Very high | 114 Ų | 114 | 48.2 Ų | 48.2 | 61% | 0.61 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 42.8 | -178.3 | -162.3 | 35.7 | 0 | 0 | 0 | 113.4 | Y229 L230 P235 | Y229-D233 PolarHBondContact O-N 3.21Å; L230-D233 PolarHBondContact O-N 3.44Å; L230-D233 VanDerWaalsContact O-N 3.12Å; D233-P235 WeakPolarHBondContact O-CD 3.45Å |
| 234 | R | 98.3 | Very high | 98.3 | Very high | 156 Ų | 156 | 50.1 Ų | 50.1 | 59% | 0.589 | 23% | 0.231 | S | C | * | . | trans | -120.5 | 68.8 | 175 | -60.2 | -62.3 | -176.1 | 162 | 0.2 | 109.9 | Y229 L232 T236 I237 A238 | Y229-R234 HydrophobicContact CD1-CB 3.81Å; Y229-R234 HydrophobicContact CD1-CG 4.24Å; Y229-R234 PolarHBondContact O-N 2.81Å; L232-R234 VanDerWaalsContact C-N 3.3Å; L232-R234 HydrophobicContact CB-CG 4.48Å; L232-R234 PolarHBondContact O-N 2.72Å; R234-T236 VanDerWaalsContact C-N 3.32Å; R234-T236 PolarHBondContact O-N 3.48Å; R234-I237 HydrophobicContact CB-CB 4.47Å; R234-I237 HydrophobicContact CB-CD1 4.32Å; R234-I237 PolarHBondContact O-N 3.14Å; R234-A238 PolarHBondContact O-N 2.96Å | ||
| 235 | P | 98.1 | Very high | 98.3 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -33 | -170 | 25.4 | -35.5 | 0 | 0 | 0 | 113.5 | D233 I237 A238 L239 A262 L265 L266 | D233-P235 WeakPolarHBondContact O-CD 3.45Å; P235-I237 VanDerWaalsContact C-N 3.33Å; P235-I237 PolarHBondContact O-N 3.32Å; P235-A238 PolarHBondContact O-N 3.48Å; P235-L239 WeakPolarHBondContact O-CB 3.37Å; P235-L239 PolarHBondContact O-N 2.82Å; P235-A262 HydrophobicContact CB-CB 4.32Å; P235-L265 HydrophobicContact CB-CB 3.75Å; P235-L265 HydrophobicContact CB-CD1 4.1Å; P235-L265 HydrophobicContact CG-CB 3.95Å; P235-L266 HydrophobicContact CB-CD1 4.47Å; P235-L266 HydrophobicContact CB-CD2 4.17Å; P235-L266 HydrophobicContact CB-CG 3.97Å; P235-L266 HydrophobicContact CG-CD2 3.76Å; P235-L266 HydrophobicContact CG-CG 4.08Å |
| 236 | T | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 49.7 Ų | 49.7 | 50% | 0.503 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.8 | -43 | 175.4 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | R234 R240 L266 | R234-T236 VanDerWaalsContact C-N 3.32Å; R234-T236 PolarHBondContact O-N 3.48Å; T236-R240 WeakPolarHBondContact O-CG 3.47Å; T236-R240 PolarHBondContact O-N 3.46Å; T236-L266 HydrophobicContact CG2-CD1 4.35Å; T236-L266 HydrophobicContact CG2-CD2 3.61Å |
| 237 | I | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 56.5 Ų | 56.5 | 30% | 0.297 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -74.8 | -38.8 | 179.1 | -56.1 | 176.6 | 0 | 0 | 0 | 110.1 | Y229 R234 P235 L239 R240 Y241 | Y229-I237 HydrophobicContact CD1-CB 4.05Å; Y229-I237 HydrophobicContact CD1-CD1 4.34Å; Y229-I237 HydrophobicContact CD1-CG2 3.89Å; Y229-I237 HydrophobicContact CD2-CB 4.45Å; Y229-I237 HydrophobicContact CD2-CG2 3.62Å; Y229-I237 HydrophobicContact CE1-CB 4.27Å; Y229-I237 HydrophobicContact CE1-CD1 3.93Å; Y229-I237 HydrophobicContact CE1-CG2 3.83Å; Y229-I237 HydrophobicContact CE2-CG2 3.61Å; Y229-I237 HydrophobicContact CG-CB 4.1Å; Y229-I237 HydrophobicContact CG-CG2 3.75Å; R234-I237 HydrophobicContact CB-CB 4.47Å; R234-I237 HydrophobicContact CB-CD1 4.32Å; R234-I237 PolarHBondContact O-N 3.14Å; P235-I237 VanDerWaalsContact C-N 3.33Å; P235-I237 PolarHBondContact O-N 3.32Å; I237-L239 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 3.44Å; I237-R240 PolarHBondContact O-N 2.75Å; I237-Y241 HydrophobicContact CG2-CD2 3.77Å; I237-Y241 HydrophobicContact CG2-CE2 3.55Å; I237-Y241 WeakPolarHBondContact O-CD2 3.47Å; I237-Y241 PolarHBondContact O-N 2.72Å |
| 238 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S226 L230 R234 P235 Y241 G242 A262 | S226-A238 WeakPolarHBondContact CB-O 3.26Å; S226-A238 WeakPolarHBondContact O-CB 3.43Å; S226-A238 PolarHBondContact OG-O 2.95Å; L230-A238 HydrophobicContact CD2-CB 3.82Å; L230-A238 HydrophobicContact CG-CB 3.77Å; R234-A238 PolarHBondContact O-N 2.96Å; P235-A238 PolarHBondContact O-N 3.48Å; A238-Y241 PolarHBondContact O-N 3.29Å; A238-G242 PolarHBondContact O-N 3.5Å; A238-A262 HydrophobicContact CB-CB 4.34Å |
| 239 | L | 98.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -49.8 | 176.6 | -179 | 58.9 | 0 | 0 | 0 | 110.9 | P235 I237 Y241 G242 E243 C259 A262 L266 F275 | P235-L239 WeakPolarHBondContact O-CB 3.37Å; P235-L239 PolarHBondContact O-N 2.82Å; I237-L239 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 3.44Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.26Å; L239-G242 CarbonylContact O-C 3.58Å; L239-G242 WeakPolarHBondContact O-CA 3.16Å; L239-G242 PolarHBondContact O-N 3.44Å; L239-E243 HydrophobicContact CD1-CG 4.11Å; L239-E243 HydrophobicContact CG-CG 4.36Å; L239-E243 WeakPolarHBondContact O-CG 3.42Å; L239-E243 PolarHBondContact O-N 2.83Å; L239-C259 HydrophobicContact CD1-CB 3.72Å; L239-A262 HydrophobicContact CB-CB 3.87Å; L239-L266 HydrophobicContact CD2-CD1 4.13Å; L239-F275 HydrophobicContact CD1-CE2 4.06Å; L239-F275 HydrophobicContact CD1-CZ 4.47Å |
| 240 | R | 98.4 | Very high | 97.8 | Very high | 169 Ų | 169 | 65 Ų | 65 | 64% | 0.638 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -56.5 | -41.7 | 179.2 | -71.9 | -179 | 70.4 | -178.7 | 4.2 | 113.3 | T236 I237 Q244 | T236-R240 WeakPolarHBondContact O-CG 3.47Å; T236-R240 PolarHBondContact O-N 3.46Å; I237-R240 PolarHBondContact O-N 2.75Å; R240-Q244 VanDerWaalsContact O-CG 3.32Å; R240-Q244 WeakPolarHBondContact O-CG 3.01Å; R240-Q244 PolarHBondContact O-N 3.16Å |
| 241 | Y | 98.6 | Very high | 97.8 | Very high | 28 Ų | 28 | 70.5 Ų | 70.5 | 11% | 0.11 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.1 | -34.6 | 176.5 | -77.4 | -61.3 | 0 | 0 | 0 | 112.5 | L198 L222 L225 Y229 I237 A238 L239 Q244 A245 | L198-Y241 HydrophobicContact CD2-CD1 4.43Å; L198-Y241 HydrophobicContact CD2-CE1 3.67Å; L222-Y241 HydrophobicContact CD2-CD1 3.67Å; L222-Y241 HydrophobicContact CD2-CE1 4.24Å; L225-Y241 HydrophobicContact CB-CD1 4.19Å; L225-Y241 HydrophobicContact CB-CD2 3.97Å; L225-Y241 HydrophobicContact CB-CE1 4.49Å; L225-Y241 HydrophobicContact CB-CE2 4.29Å; L225-Y241 HydrophobicContact CB-CG 3.91Å; L225-Y241 HydrophobicContact CD1-CD1 4.12Å; L225-Y241 HydrophobicContact CD1-CE1 3.76Å; Y229-Y241 AromaticContact CD2-CD2 3.77Å; Y229-Y241 HydrophobicContact CD2-CD2 3.77Å; Y229-Y241 AromaticContact CD2-CE2 3.76Å; Y229-Y241 HydrophobicContact CD2-CE2 3.76Å; Y229-Y241 AromaticContact CE2-CD2 3.96Å; Y229-Y241 HydrophobicContact CE2-CD2 3.96Å; Y229-Y241 AromaticContact CE2-CE2 3.42Å; Y229-Y241 HydrophobicContact CE2-CE2 3.42Å; Y229-Y241 VanDerWaalsContact CE2-CE2 3.42Å; I237-Y241 HydrophobicContact CG2-CD2 3.77Å; I237-Y241 HydrophobicContact CG2-CE2 3.55Å; I237-Y241 WeakPolarHBondContact O-CD2 3.47Å; I237-Y241 PolarHBondContact O-N 2.72Å; A238-Y241 PolarHBondContact O-N 3.29Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.26Å; Y241-Q244 PolarHBondContact O-N 2.82Å; Y241-A245 PolarHBondContact O-N 2.76Å |
| 242 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | A238 L239 Q244 A245 L246 C259 | A238-G242 PolarHBondContact O-N 3.5Å; L239-G242 CarbonylContact O-C 3.58Å; L239-G242 WeakPolarHBondContact O-CA 3.16Å; L239-G242 PolarHBondContact O-N 3.44Å; G242-Q244 PolarHBondContact O-N 3.2Å; G242-A245 WeakPolarHBondContact O-CB 3.46Å; G242-A245 PolarHBondContact O-N 3.07Å; G242-A245 VanDerWaalsContact O-N 3.1Å; G242-L246 WeakPolarHBondContact O-CG 3.4Å; G242-L246 PolarHBondContact O-N 3.42Å; G242-C259 VanDerWaalsContact CA-SG 3.54Å |
| 243 | E | 98.2 | Very high | 97.7 | Very high | 82 Ų | 82 | 64.8 Ų | 64.8 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 174.5 | -70 | 174.4 | 153.7 | 0 | 0 | 111.8 | L239 A245 L246 I247 F275 | L239-E243 HydrophobicContact CD1-CG 4.11Å; L239-E243 HydrophobicContact CG-CG 4.36Å; L239-E243 WeakPolarHBondContact O-CG 3.42Å; L239-E243 PolarHBondContact O-N 2.83Å; E243-A245 VanDerWaalsContact C-N 3.28Å; E243-A245 PolarHBondContact O-N 3.15Å; E243-L246 WeakPolarHBondContact O-CB 3.3Å; E243-L246 PolarHBondContact O-N 3.39Å; E243-I247 WeakPolarHBondContact O-CG1 3.23Å; E243-I247 PolarHBondContact O-N 2.89Å; E243-F275 HydrophobicContact CG-CZ 4.47Å |
| 244 | Q | 97.9 | Very high | 97.7 | Very high | 56 Ų | 56 | 65.4 Ų | 65.4 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60 | -38.4 | 172.2 | -76.4 | 175.2 | 24.3 | 0 | 0 | 112.4 | L222 R240 Y241 G242 L246 I247 | L222-Q244 HydrophobicContact CD1-CB 4.07Å; L222-Q244 HydrophobicContact CD2-CB 4.1Å; R240-Q244 VanDerWaalsContact O-CG 3.32Å; R240-Q244 WeakPolarHBondContact O-CG 3.01Å; R240-Q244 PolarHBondContact O-N 3.16Å; Y241-Q244 PolarHBondContact O-N 2.82Å; G242-Q244 PolarHBondContact O-N 3.2Å; Q244-L246 VanDerWaalsContact C-N 3.32Å; Q244-I247 PolarHBondContact O-N 2.78Å |
| 245 | A | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L219 L222 L223 Y241 G242 E243 I247 I248 D249 A255 | L219-A245 HydrophobicContact CD1-CB 3.81Å; L222-A245 HydrophobicContact CB-CB 4.05Å; L223-A245 HydrophobicContact CD2-CB 4.18Å; L223-A245 HydrophobicContact CG-CB 4.33Å; Y241-A245 PolarHBondContact O-N 2.76Å; G242-A245 WeakPolarHBondContact O-CB 3.46Å; G242-A245 PolarHBondContact O-N 3.07Å; G242-A245 VanDerWaalsContact O-N 3.1Å; E243-A245 VanDerWaalsContact C-N 3.28Å; E243-A245 PolarHBondContact O-N 3.15Å; A245-I247 VanDerWaalsContact C-N 3.35Å; A245-I248 PolarHBondContact O-N 2.85Å; A245-D249 PolarHBondContact O-N 2.87Å; A245-A255 HydrophobicContact CB-CB 3.95Å |
| 246 | L | 97.8 | Very high | 97.7 | Very high | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.5 | -24.2 | 177 | -66.5 | 172.9 | 0 | 0 | 0 | 114.1 | G242 E243 Q244 D249 Q250 A255 L256 F275 | G242-L246 WeakPolarHBondContact O-CG 3.4Å; G242-L246 PolarHBondContact O-N 3.42Å; E243-L246 WeakPolarHBondContact O-CB 3.3Å; E243-L246 PolarHBondContact O-N 3.39Å; Q244-L246 VanDerWaalsContact C-N 3.32Å; L246-D249 WeakPolarHBondContact CA-O 3.29Å; L246-D249 CarbonylContact O-C 3.49Å; L246-Q250 VanDerWaalsContact O-CA 3.25Å; L246-Q250 WeakPolarHBondContact O-CA 3.46Å; L246-Q250 PolarHBondContact O-N 2.89Å; L246-A255 HydrophobicContact CD2-CB 3.61Å; L246-A255 HydrophobicContact CG-CB 3.81Å; L246-L256 HydrophobicContact CD1-CD2 3.82Å; L246-L256 HydrophobicContact CD2-CD2 3.61Å; L246-L256 HydrophobicContact CD2-CG 3.7Å; L246-L256 HydrophobicContact CG-CD2 4.4Å; L246-F275 HydrophobicContact CD1-CD1 4.15Å; L246-F275 HydrophobicContact CD1-CE1 3.61Å |
| 247 | I | 96.4 | Very high | 97.7 | Very high | 144 Ų | 144 | 54.9 Ų | 54.9 | 74% | 0.738 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65 | -34.9 | 170 | -67.8 | 168.8 | 0 | 0 | 0 | 110.2 | E243 Q244 A245 | E243-I247 WeakPolarHBondContact O-CG1 3.23Å; E243-I247 PolarHBondContact O-N 2.89Å; Q244-I247 PolarHBondContact O-N 2.78Å; A245-I247 VanDerWaalsContact C-N 3.35Å |
| 248 | I | 95.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 53.6 Ų | 53.6 | 27% | 0.267 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -79 | -48 | 177.4 | -58.7 | 173.3 | 0 | 0 | 0 | 110.9 | E215 K218 L219 L222 A245 | E215-I248 HydrophobicContact CB-CD1 4.44Å; E215-I248 HydrophobicContact CB-CG1 4.47Å; E215-I248 HydrophobicContact CB-CG2 4.02Å; E215-I248 WeakPolarHBondContact OE2-CD1 3.46Å; E215-I248 VanDerWaalsContact OE2-CG1 3.3Å; E215-I248 WeakPolarHBondContact OE2-CG1 3.46Å; K218-I248 HydrophobicContact CB-CD1 3.94Å; L219-I248 HydrophobicContact CB-CD1 4.41Å; L219-I248 HydrophobicContact CB-CG2 4.24Å; L219-I248 HydrophobicContact CD1-CB 4.41Å; L222-I248 HydrophobicContact CD1-CD1 3.58Å; A245-I248 PolarHBondContact O-N 2.85Å |
| 249 | D | 96.9 | Very high | 97.7 | Very high | 56 Ų | 56 | 53.6 Ų | 53.6 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | trans | -136.1 | 96.8 | -179.2 | 174.5 | 9.9 | 0 | 0 | 0 | 110.2 | L219 A245 L246 K251 N252 | L219-D249 HydrophobicContact CD1-CB 4.34Å; L219-D249 HydrophobicContact CD2-CB 3.98Å; A245-D249 PolarHBondContact O-N 2.87Å; L246-D249 WeakPolarHBondContact CA-O 3.29Å; L246-D249 CarbonylContact O-C 3.49Å; D249-K251 PolarHBondContact O-N 2.82Å; D249-K251 PolarHBondContact OD1-N 2.78Å; D249-K251 VanDerWaalsContact OD1-N 3.11Å; D249-N252 HydrophobicContact CB-CB 4.06Å; D249-N252 VanDerWaalsContact O-CB 3.32Å; D249-N252 WeakPolarHBondContact O-CB 3.33Å; D249-N252 PolarHBondContact O-N 3.46Å; D249-N252 VanDerWaalsContact O-N 3.15Å; D249-N252 PolarHBondContact OD1-N 2.78Å; D249-N252 VanDerWaalsContact OD2-CB 3.29Å; D249-N252 WeakPolarHBondContact OD2-CB 3.18Å; D249-N252 PolarHBondContact OD2-ND2 2.7Å | ||
| 250 | Q | 96.9 | Very high | 97.6 | Very high | 141 Ų | 141 | 52.9 Ų | 52.9 | 66% | 0.659 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -22.7 | -175.7 | -166.2 | -179.2 | 17.2 | 0 | 0 | 113.5 | L246 | L246-Q250 VanDerWaalsContact O-CA 3.25Å; L246-Q250 WeakPolarHBondContact O-CA 3.46Å; L246-Q250 PolarHBondContact O-N 2.89Å |
| 251 | K | 96.6 | Very high | 97.6 | Very high | 137 Ų | 137 | 46.7 Ų | 46.7 | 60% | 0.596 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 8 | -178.4 | -65.4 | -171.4 | 177.5 | -174.2 | 0 | 112.6 | D249 A253 E282 | D249-K251 PolarHBondContact O-N 2.82Å; D249-K251 PolarHBondContact OD1-N 2.78Å; D249-K251 VanDerWaalsContact OD1-N 3.11Å; K251-A253 PolarHBondContact O-N 2.95Å; K251-E282 HydrophobicContact CB-CG 4.37Å |
| 252 | N | 97.9 | Very high | 97.6 | Very high | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | trans | -67.3 | 101.5 | -177.5 | -159.2 | -80.5 | 0 | 0 | 0 | 112 | D249 K254 A255 L256 | D249-N252 HydrophobicContact CB-CB 4.06Å; D249-N252 VanDerWaalsContact O-CB 3.32Å; D249-N252 WeakPolarHBondContact O-CB 3.33Å; D249-N252 PolarHBondContact O-N 3.46Å; D249-N252 VanDerWaalsContact O-N 3.15Å; D249-N252 PolarHBondContact OD1-N 2.78Å; D249-N252 VanDerWaalsContact OD2-CB 3.29Å; D249-N252 WeakPolarHBondContact OD2-CB 3.18Å; D249-N252 PolarHBondContact OD2-ND2 2.7Å; N252-K254 PolarHBondContact O-N 3.26Å; N252-K254 VanDerWaalsContact O-N 3.16Å; N252-K254 PolarHBondContact OD1-N 3.02Å; N252-A255 HydrophobicContact CB-CB 3.96Å; N252-A255 PolarHBondContact O-N 3.49Å; N252-A255 PolarHBondContact OD1-N 3.36Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 2.74Å | ||
| 253 | A | 97.1 | Very high | 97.6 | Very high | 10 Ų | 10 | 45.4 Ų | 45.4 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.1 | -35.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | K251 F257 E282 Q283 | K251-A253 PolarHBondContact O-N 2.95Å; A253-F257 WeakPolarHBondContact O-CB 3.42Å; A253-F257 PolarHBondContact O-N 3.12Å; A253-E282 HydrophobicContact CB-CB 4.22Å; A253-Q283 HydrophobicContact CB-CG 3.74Å |
| 254 | K | 97.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 42.1 Ų | 42.1 | 55% | 0.552 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -68 | -40.8 | 177.6 | -66.3 | 179.4 | -178.8 | 174.2 | 0 | 111.9 | L223 N252 R258 | L223-K254 HydrophobicContact CD2-CB 4.08Å; N252-K254 PolarHBondContact O-N 3.26Å; N252-K254 VanDerWaalsContact O-N 3.16Å; N252-K254 PolarHBondContact OD1-N 3.02Å; K254-R258 WeakPolarHBondContact O-CB 3.48Å; K254-R258 VanDerWaalsContact O-CD 3.28Å; K254-R258 WeakPolarHBondContact O-CD 3.27Å; K254-R258 WeakPolarHBondContact O-CG 3.46Å; K254-R258 PolarHBondContact O-N 2.62Å; K254-R258 VanDerWaalsContact O-N 3.1Å |
| 255 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.8 | -48.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L223 A245 L246 N252 F257 R258 C259 | L223-A255 HydrophobicContact CD2-CB 3.69Å; A245-A255 HydrophobicContact CB-CB 3.95Å; L246-A255 HydrophobicContact CD2-CB 3.61Å; L246-A255 HydrophobicContact CG-CB 3.81Å; N252-A255 HydrophobicContact CB-CB 3.96Å; N252-A255 PolarHBondContact O-N 3.49Å; N252-A255 PolarHBondContact OD1-N 3.36Å; A255-F257 VanDerWaalsContact C-N 3.35Å; A255-F257 PolarHBondContact O-N 3.47Å; A255-R258 PolarHBondContact O-N 3.08Å; A255-C259 PolarHBondContact O-N 2.9Å; A255-C259 PolarHBondContact O-SG 3.18Å |
| 256 | L | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.6 | -49.5 | 177 | -67.2 | 170.8 | 0 | 0 | 0 | 111.2 | L246 N252 R258 C259 G260 F275 R278 A279 E282 | L246-L256 HydrophobicContact CD1-CD2 3.82Å; L246-L256 HydrophobicContact CD2-CD2 3.61Å; L246-L256 HydrophobicContact CD2-CG 3.7Å; L246-L256 HydrophobicContact CG-CD2 4.4Å; N252-L256 WeakPolarHBondContact O-CG 3.49Å; N252-L256 PolarHBondContact O-N 2.74Å; L256-R258 PolarHBondContact O-N 3.45Å; L256-C259 PolarHBondContact O-N 2.88Å; L256-G260 PolarHBondContact O-N 3.39Å; L256-F275 HydrophobicContact CD2-CD1 3.89Å; L256-F275 HydrophobicContact CD2-CE1 4.5Å; L256-R278 HydrophobicContact CD1-CB 3.97Å; L256-R278 HydrophobicContact CD2-CB 4.19Å; L256-A279 HydrophobicContact CB-CB 3.66Å; L256-A279 HydrophobicContact CD1-CB 4.48Å; L256-E282 HydrophobicContact CD1-CG 4.35Å |
| 257 | F | 98.2 | Very high | 97 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58 | -46.8 | 178.1 | 178.9 | -114.2 | 0 | 0 | 0 | 112.3 | A253 A255 G260 Q261 L276 A279 D288 I289 E292 | A253-F257 WeakPolarHBondContact O-CB 3.42Å; A253-F257 PolarHBondContact O-N 3.12Å; A255-F257 VanDerWaalsContact C-N 3.35Å; A255-F257 PolarHBondContact O-N 3.47Å; F257-G260 PolarHBondContact O-N 3.23Å; F257-Q261 VanDerWaalsContact CE1-CD 3.49Å; F257-Q261 HydrophobicContact CE1-CG 4.35Å; F257-Q261 HydrophobicContact CE2-CG 4.38Å; F257-Q261 HydrophobicContact CZ-CG 4.2Å; F257-Q261 WeakPolarHBondContact O-CG 3.31Å; F257-Q261 PolarHBondContact O-N 3.12Å; F257-L276 HydrophobicContact CD2-CD2 3.75Å; F257-L276 HydrophobicContact CE2-CD2 4.28Å; F257-A279 HydrophobicContact CB-CB 4.43Å; F257-D288 HydrophobicContact CE2-CB 4.48Å; F257-D288 HydrophobicContact CZ-CB 4.03Å; F257-I289 HydrophobicContact CB-CG1 4.48Å; F257-I289 HydrophobicContact CD2-CB 4.31Å; F257-I289 HydrophobicContact CD2-CG1 3.69Å; F257-I289 HydrophobicContact CE2-CG1 4.18Å; F257-I289 HydrophobicContact CG-CG1 4.23Å; F257-E292 HydrophobicContact CE2-CB 3.75Å; F257-E292 HydrophobicContact CE2-CG 4.12Å; F257-E292 HydrophobicContact CZ-CB 4.46Å |
| 258 | R | 98 | Very high | 96.9 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 11% | 0.113 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -37.8 | 179.6 | -71 | 166.4 | -177.2 | 171.2 | -5.6 | 113 | L223 L230 K254 A255 L256 G260 Q261 A262 | L223-R258 VanDerWaalsContact CB-NH1 3.26Å; L223-R258 PolarHBondContact O-NH1 3.28Å; L230-R258 HydrophobicContact CD1-CB 3.92Å; L230-R258 HydrophobicContact CD1-CG 4Å; K254-R258 WeakPolarHBondContact O-CB 3.48Å; K254-R258 VanDerWaalsContact O-CD 3.28Å; K254-R258 WeakPolarHBondContact O-CD 3.27Å; K254-R258 WeakPolarHBondContact O-CG 3.46Å; K254-R258 PolarHBondContact O-N 2.62Å; K254-R258 VanDerWaalsContact O-N 3.1Å; A255-R258 PolarHBondContact O-N 3.08Å; L256-R258 PolarHBondContact O-N 3.45Å; R258-G260 VanDerWaalsContact C-N 3.32Å; R258-Q261 PolarHBondContact O-N 3.33Å; R258-A262 WeakPolarHBondContact O-CB 3.36Å; R258-A262 PolarHBondContact O-N 3.11Å |
| 259 | C | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 171.4 | -68.9 | 0 | 0 | 0 | 0 | 110.9 | L239 G242 A255 L256 Q261 A262 C263 F275 | L239-C259 HydrophobicContact CD1-CB 3.72Å; G242-C259 VanDerWaalsContact CA-SG 3.54Å; A255-C259 PolarHBondContact O-N 2.9Å; A255-C259 PolarHBondContact O-SG 3.18Å; L256-C259 PolarHBondContact O-N 2.88Å; C259-Q261 PolarHBondContact O-N 3.4Å; C259-A262 PolarHBondContact O-N 2.77Å; C259-C263 PolarHBondContact O-N 2.91Å; C259-C263 PolarHBondContact O-SG 2.86Å; C259-F275 HydrophobicContact CB-CB 4.36Å; C259-F275 HydrophobicContact CB-CD1 3.82Å; C259-F275 HydrophobicContact CB-CD2 3.72Å; C259-F275 HydrophobicContact CB-CE1 3.95Å; C259-F275 HydrophobicContact CB-CE2 3.85Å; C259-F275 HydrophobicContact CB-CG 3.71Å; C259-F275 HydrophobicContact CB-CZ 3.96Å |
| 260 | G | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.8 | -48.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L256 F257 R258 A262 C263 L264 | L256-G260 PolarHBondContact O-N 3.39Å; F257-G260 PolarHBondContact O-N 3.23Å; R258-G260 VanDerWaalsContact C-N 3.32Å; G260-A262 PolarHBondContact O-N 3.08Å; G260-C263 PolarHBondContact O-N 3.39Å; G260-L264 PolarHBondContact O-N 3.07Å |
| 261 | Q | 97.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 47.4 Ų | 47.4 | 19% | 0.187 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 174.8 | -70.1 | -175.7 | -44.2 | 0 | 0 | 112.5 | L230 F257 R258 C259 L264 L265 E292 | L230-Q261 HydrophobicContact CD1-CB 4.1Å; L230-Q261 HydrophobicContact CD2-CB 4.35Å; F257-Q261 VanDerWaalsContact CE1-CD 3.49Å; F257-Q261 HydrophobicContact CE1-CG 4.35Å; F257-Q261 HydrophobicContact CE2-CG 4.38Å; F257-Q261 HydrophobicContact CZ-CG 4.2Å; F257-Q261 WeakPolarHBondContact O-CG 3.31Å; F257-Q261 PolarHBondContact O-N 3.12Å; R258-Q261 PolarHBondContact O-N 3.33Å; C259-Q261 PolarHBondContact O-N 3.4Å; Q261-L264 WeakPolarHBondContact O-CB 3.49Å; Q261-L264 PolarHBondContact O-N 2.63Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.24Å; Q261-L265 VanDerWaalsContact O-N 3.15Å; Q261-E292 HydrophobicContact CG-CG 4.09Å; Q261-E292 PolarHBondContact NE2-OE2 3.04Å |
| 262 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L230 P235 A238 L239 R258 C259 G260 L264 L265 L266 | L230-A262 HydrophobicContact CD2-CB 3.92Å; P235-A262 HydrophobicContact CB-CB 4.32Å; A238-A262 HydrophobicContact CB-CB 4.34Å; L239-A262 HydrophobicContact CB-CB 3.87Å; R258-A262 WeakPolarHBondContact O-CB 3.36Å; R258-A262 PolarHBondContact O-N 3.11Å; C259-A262 PolarHBondContact O-N 2.77Å; G260-A262 PolarHBondContact O-N 3.08Å; A262-L264 VanDerWaalsContact C-N 3.32Å; A262-L264 PolarHBondContact O-N 2.85Å; A262-L265 PolarHBondContact O-N 3.12Å; A262-L266 VanDerWaalsContact O-CG 3.3Å; A262-L266 WeakPolarHBondContact O-CG 3.31Å; A262-L266 PolarHBondContact O-N 2.99Å |
| 263 | C | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.2 | -36.7 | 176.8 | -73.5 | 0 | 0 | 0 | 0 | 112.3 | C259 G260 L266 T267 E268 K271 A272 | C259-C263 PolarHBondContact O-N 2.91Å; C259-C263 PolarHBondContact O-SG 2.86Å; G260-C263 PolarHBondContact O-N 3.39Å; C263-L266 CarbonylContact O-C 3.09Å; C263-L266 PolarHBondContact O-N 3.15Å; C263-L266 VanDerWaalsContact O-N 3.16Å; C263-T267 PolarHBondContact O-N 3.02Å; C263-T267 VanDerWaalsContact O-N 3.11Å; C263-E268 HydrophobicContact CB-CB 4.21Å; C263-E268 PolarHBondContact O-N 3.1Å; C263-K271 HydrophobicContact CB-CB 4.35Å; C263-A272 HydrophobicContact CB-CB 3.67Å |
| 264 | L | 94.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 172.5 | -84 | 173.8 | 0 | 0 | 0 | 111.9 | G260 Q261 A262 L266 T267 Y269 A272 L276 E292 L296 | G260-L264 PolarHBondContact O-N 3.07Å; Q261-L264 WeakPolarHBondContact O-CB 3.49Å; Q261-L264 PolarHBondContact O-N 2.63Å; A262-L264 VanDerWaalsContact C-N 3.32Å; A262-L264 PolarHBondContact O-N 2.85Å; L264-L266 PolarHBondContact O-N 2.9Å; L264-T267 PolarHBondContact O-N 3.44Å; L264-Y269 HydrophobicContact CD2-CD1 4.25Å; L264-A272 HydrophobicContact CD2-CB 4.14Å; L264-A272 HydrophobicContact CG-CB 3.86Å; L264-L276 HydrophobicContact CD1-CD1 4.19Å; L264-E292 HydrophobicContact CD1-CG 3.69Å; L264-E292 WeakPolarHBondContact CD1-OE1 3.33Å; L264-L296 HydrophobicContact CD1-CB 4.46Å; L264-L296 HydrophobicContact CD2-CB 3.93Å; L264-L296 HydrophobicContact CD2-CD1 3.32Å; L264-L296 HydrophobicContact CD2-CG 4.21Å; L264-L296 HydrophobicContact CG-CD1 4.33Å |
| 265 | L | 94.9 | Very high | 96.7 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 45% | 0.45 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.9 | -26.7 | 176.7 | -67.3 | 173.1 | 0 | 0 | 0 | 112.6 | L230 P235 Q261 A262 T267 | L230-L265 HydrophobicContact CD2-CD1 4.04Å; P235-L265 HydrophobicContact CB-CB 3.75Å; P235-L265 HydrophobicContact CB-CD1 4.1Å; P235-L265 HydrophobicContact CG-CB 3.95Å; Q261-L265 WeakPolarHBondContact O-CG 3.37Å; Q261-L265 PolarHBondContact O-N 3.24Å; Q261-L265 VanDerWaalsContact O-N 3.15Å; A262-L265 PolarHBondContact O-N 3.12Å; L265-T267 VanDerWaalsContact C-N 3.29Å |
| 266 | L | 95.9 | Very high | 96.7 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 2 | 173.9 | -65.1 | 169.6 | 0 | 0 | 0 | 113.3 | P235 T236 L239 A262 C263 L264 E268 | P235-L266 HydrophobicContact CB-CD1 4.47Å; P235-L266 HydrophobicContact CB-CD2 4.17Å; P235-L266 HydrophobicContact CB-CG 3.97Å; P235-L266 HydrophobicContact CG-CD2 3.76Å; P235-L266 HydrophobicContact CG-CG 4.08Å; T236-L266 HydrophobicContact CG2-CD1 4.35Å; T236-L266 HydrophobicContact CG2-CD2 3.61Å; L239-L266 HydrophobicContact CD2-CD1 4.13Å; A262-L266 VanDerWaalsContact O-CG 3.3Å; A262-L266 WeakPolarHBondContact O-CG 3.31Å; A262-L266 PolarHBondContact O-N 2.99Å; C263-L266 CarbonylContact O-C 3.09Å; C263-L266 PolarHBondContact O-N 3.15Å; C263-L266 VanDerWaalsContact O-N 3.16Å; L264-L266 PolarHBondContact O-N 2.9Å; L266-E268 HydrophobicContact CB-CG 4.05Å; L266-E268 PolarHBondContact O-N 2.93Å |
| 267 | T | 94.1 | Very high | 96.7 | Very high | 94 Ų | 94 | 47 Ų | 47 | 58% | 0.577 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 19.5 | -174.3 | 67 | 0 | 0 | 0 | 0 | 114.2 | C263 L264 L265 Y269 | C263-T267 PolarHBondContact O-N 3.02Å; C263-T267 VanDerWaalsContact O-N 3.11Å; L264-T267 PolarHBondContact O-N 3.44Å; L265-T267 VanDerWaalsContact C-N 3.29Å; T267-Y269 VanDerWaalsContact C-N 3.27Å; T267-Y269 VanDerWaalsContact O-CD2 3.28Å; T267-Y269 WeakPolarHBondContact O-CD2 3.19Å; T267-Y269 WeakPolarHBondContact O-CE2 3.41Å; T267-Y269 PolarHBondContact O-N 2.82Å |
| 268 | E | 95.3 | Very high | 96.7 | Very high | 67 Ų | 67 | 48.5 Ų | 48.5 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | trans | -86.2 | 65 | 176 | -63.6 | -169 | 158.4 | 0 | 0 | 110.6 | C263 L266 Q270 K271 A272 | C263-E268 HydrophobicContact CB-CB 4.21Å; C263-E268 PolarHBondContact O-N 3.1Å; L266-E268 HydrophobicContact CB-CG 4.05Å; L266-E268 PolarHBondContact O-N 2.93Å; E268-Q270 VanDerWaalsContact C-N 3.29Å; E268-Q270 PolarHBondContact O-N 3.23Å; E268-K271 HydrophobicContact CB-CB 4.34Å; E268-K271 PolarHBondContact O-N 3.02Å; E268-K271 VanDerWaalsContact O-N 3.14Å; E268-K271 IonicContact OE1-NZ 3.11Å; E268-K271 PolarHBondContact OE1-NZ 3.27Å; E268-K271 WeakPolarHBondContact OE2-CD 3.44Å; E268-K271 VanDerWaalsContact OE2-CE 3.31Å; E268-K271 WeakPolarHBondContact OE2-CE 3.26Å; E268-K271 IonicContact OE2-NZ 2.74Å; E268-K271 PolarHBondContact OE2-NZ 2.69Å; E268-A272 PolarHBondContact O-N 3.38Å | ||
| 269 | Y | 94.3 | Very high | 96.6 | Very high | 40 Ų | 40 | 47 Ų | 47 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.7 | -38.8 | -169.8 | -57 | -67.6 | 0 | 0 | 0 | 114.1 | L264 T267 A272 R273 L296 D299 Y300 Y303 | L264-Y269 HydrophobicContact CD2-CD1 4.25Å; T267-Y269 VanDerWaalsContact C-N 3.27Å; T267-Y269 VanDerWaalsContact O-CD2 3.28Å; T267-Y269 WeakPolarHBondContact O-CD2 3.19Å; T267-Y269 WeakPolarHBondContact O-CE2 3.41Å; T267-Y269 PolarHBondContact O-N 2.82Å; Y269-A272 PolarHBondContact O-N 3.09Å; Y269-R273 WeakPolarHBondContact O-CB 3.45Å; Y269-R273 PolarHBondContact O-N 3.48Å; Y269-L296 HydrophobicContact CD1-CD1 3.99Å; Y269-D299 HydrophobicContact CE1-CB 3.95Å; Y269-Y300 HydrophobicContact CD2-CD2 4.01Å; Y269-Y300 AromaticContact CG-CD2 3.91Å; Y269-Y300 HydrophobicContact CG-CD2 3.91Å; Y269-Y303 HydrophobicContact CD2-CD1 4.29Å; Y269-Y303 HydrophobicContact CD2-CG 4.36Å; Y269-Y303 HydrophobicContact CE2-CD1 4.04Å; Y269-Y303 AromaticContact CE2-CD2 3.96Å; Y269-Y303 HydrophobicContact CE2-CD2 3.96Å; Y269-Y303 AromaticContact CE2-CG 3.66Å; Y269-Y303 HydrophobicContact CE2-CG 3.66Å |
| 270 | Q | 93.9 | Very high | 96.6 | Very high | 137 Ų | 137 | 50.3 Ų | 50.3 | 64% | 0.64 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -67.9 | -41.9 | -179.5 | -171.6 | 63.7 | 8.9 | 0 | 0 | 112.3 | E268 R273 D274 | E268-Q270 VanDerWaalsContact C-N 3.29Å; E268-Q270 PolarHBondContact O-N 3.23Å; Q270-R273 WeakPolarHBondContact O-CB 2.86Å; Q270-R273 PolarHBondContact O-N 2.91Å; Q270-D274 PolarHBondContact O-N 3.38Å; Q270-D274 VanDerWaalsContact O-N 3.15Å |
| 271 | K | 96.5 | Very high | 96.6 | Very high | 108 Ų | 108 | 59.1 Ų | 59.1 | 47% | 0.47 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 175.8 | -61 | -163 | -153.3 | 148.8 | 0 | 111 | C263 E268 R273 D274 F275 | C263-K271 HydrophobicContact CB-CB 4.35Å; E268-K271 HydrophobicContact CB-CB 4.34Å; E268-K271 PolarHBondContact O-N 3.02Å; E268-K271 VanDerWaalsContact O-N 3.14Å; E268-K271 IonicContact OE1-NZ 3.11Å; E268-K271 PolarHBondContact OE1-NZ 3.27Å; E268-K271 WeakPolarHBondContact OE2-CD 3.44Å; E268-K271 VanDerWaalsContact OE2-CE 3.31Å; E268-K271 WeakPolarHBondContact OE2-CE 3.26Å; E268-K271 IonicContact OE2-NZ 2.74Å; E268-K271 PolarHBondContact OE2-NZ 2.69Å; K271-R273 VanDerWaalsContact C-N 3.29Å; K271-R273 PolarHBondContact O-N 3.17Å; K271-D274 PolarHBondContact O-N 3.42Å; K271-F275 VanDerWaalsContact O-CD2 3.28Å; K271-F275 WeakPolarHBondContact O-CD2 3.19Å; K271-F275 PolarHBondContact O-N 3.47Å; K271-F275 VanDerWaalsContact O-N 3.1Å |
| 272 | A | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C263 L264 E268 Y269 F275 L276 L296 | C263-A272 HydrophobicContact CB-CB 3.67Å; L264-A272 HydrophobicContact CD2-CB 4.14Å; L264-A272 HydrophobicContact CG-CB 3.86Å; E268-A272 PolarHBondContact O-N 3.38Å; Y269-A272 PolarHBondContact O-N 3.09Å; A272-F275 PolarHBondContact O-N 3.1Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 VanDerWaalsContact O-CG 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.4Å; A272-L276 PolarHBondContact O-N 3.23Å; A272-L296 HydrophobicContact CB-CD1 3.99Å |
| 273 | R | 96.6 | Very high | 96.5 | Very high | 148 Ų | 148 | 65.2 Ų | 65.2 | 56% | 0.558 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.8 | -48.4 | 175.7 | -169.2 | 178.1 | 172.1 | 179 | -1.9 | 112.3 | Y269 Q270 K271 F275 L276 V277 L296 | Y269-R273 WeakPolarHBondContact O-CB 3.45Å; Y269-R273 PolarHBondContact O-N 3.48Å; Q270-R273 WeakPolarHBondContact O-CB 2.86Å; Q270-R273 PolarHBondContact O-N 2.91Å; K271-R273 VanDerWaalsContact C-N 3.29Å; K271-R273 PolarHBondContact O-N 3.17Å; R273-F275 PolarHBondContact O-N 3.23Å; R273-L276 PolarHBondContact O-N 3.45Å; R273-V277 HydrophobicContact CG-CG2 4.17Å; R273-V277 WeakPolarHBondContact O-CB 3.08Å; R273-V277 VanDerWaalsContact O-CG2 3.28Å; R273-V277 WeakPolarHBondContact O-CG2 3.33Å; R273-V277 PolarHBondContact O-N 2.78Å; R273-L296 HydrophobicContact CB-CD2 3.73Å; R273-L296 HydrophobicContact CG-CD2 4.11Å |
| 274 | D | 97.2 | Very high | 96.4 | Very high | 83 Ų | 83 | 68.5 Ų | 68.5 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.3 | -51.6 | 179.8 | 179.9 | 61.4 | 0 | 0 | 0 | 111.2 | Q270 K271 L276 R278 | Q270-D274 PolarHBondContact O-N 3.38Å; Q270-D274 VanDerWaalsContact O-N 3.15Å; K271-D274 PolarHBondContact O-N 3.42Å; D274-L276 PolarHBondContact O-N 3.48Å; D274-R278 WeakPolarHBondContact O-CB 3.44Å; D274-R278 WeakPolarHBondContact O-CD 3.22Å; D274-R278 VanDerWaalsContact O-CG 3.25Å; D274-R278 WeakPolarHBondContact O-CG 3.26Å; D274-R278 PolarHBondContact O-N 3.34Å; D274-R278 WeakPolarHBondContact OD2-CD 3.46Å; D274-R278 IonicContact OD2-NH1 3.15Å; D274-R278 PolarHBondContact OD2-NH1 3.5Å; D274-R278 VanDerWaalsContact OD2-NH1 3.15Å |
| 275 | F | 98.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 77.3 Ų | 77.3 | 9% | 0.088 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 179.4 | -77.8 | -56.7 | 0 | 0 | 0 | 112.6 | L239 E243 L246 L256 C259 K271 A272 R273 R278 A279 | L239-F275 HydrophobicContact CD1-CE2 4.06Å; L239-F275 HydrophobicContact CD1-CZ 4.47Å; E243-F275 HydrophobicContact CG-CZ 4.47Å; L246-F275 HydrophobicContact CD1-CD1 4.15Å; L246-F275 HydrophobicContact CD1-CE1 3.61Å; L256-F275 HydrophobicContact CD2-CD1 3.89Å; L256-F275 HydrophobicContact CD2-CE1 4.5Å; C259-F275 HydrophobicContact CB-CB 4.36Å; C259-F275 HydrophobicContact CB-CD1 3.82Å; C259-F275 HydrophobicContact CB-CD2 3.72Å; C259-F275 HydrophobicContact CB-CE1 3.95Å; C259-F275 HydrophobicContact CB-CE2 3.85Å; C259-F275 HydrophobicContact CB-CG 3.71Å; C259-F275 HydrophobicContact CB-CZ 3.96Å; K271-F275 VanDerWaalsContact O-CD2 3.28Å; K271-F275 WeakPolarHBondContact O-CD2 3.19Å; K271-F275 PolarHBondContact O-N 3.47Å; K271-F275 VanDerWaalsContact O-N 3.1Å; A272-F275 PolarHBondContact O-N 3.1Å; R273-F275 PolarHBondContact O-N 3.23Å; F275-R278 PolarHBondContact O-N 3.12Å; F275-A279 WeakPolarHBondContact O-CB 3.33Å; F275-A279 PolarHBondContact O-N 3.34Å |
| 276 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.8 | -37.6 | -176.9 | -69.5 | 175.4 | 0 | 0 | 0 | 112.9 | F257 L264 A272 R273 D274 A279 Q280 E292 L293 L296 | F257-L276 HydrophobicContact CD2-CD2 3.75Å; F257-L276 HydrophobicContact CE2-CD2 4.28Å; L264-L276 HydrophobicContact CD1-CD1 4.19Å; A272-L276 WeakPolarHBondContact O-CB 3.43Å; A272-L276 VanDerWaalsContact O-CG 3.28Å; A272-L276 WeakPolarHBondContact O-CG 3.4Å; A272-L276 PolarHBondContact O-N 3.23Å; R273-L276 PolarHBondContact O-N 3.45Å; D274-L276 PolarHBondContact O-N 3.48Å; L276-A279 WeakPolarHBondContact O-CB 3.41Å; L276-A279 PolarHBondContact O-N 3.04Å; L276-Q280 WeakPolarHBondContact O-CB 3.36Å; L276-Q280 PolarHBondContact O-N 2.85Å; L276-E292 HydrophobicContact CD1-CB 4.31Å; L276-E292 HydrophobicContact CD1-CG 3.98Å; L276-E292 HydrophobicContact CD2-CB 4.32Å; L276-E292 HydrophobicContact CD2-CG 4.17Å; L276-L293 HydrophobicContact CB-CD2 3.43Å; L276-L293 VanDerWaalsContact CB-CD2 3.43Å; L276-L293 HydrophobicContact CB-CG 3.86Å; L276-L293 HydrophobicContact CD1-CD2 4.17Å; L276-L293 HydrophobicContact CD1-CG 4.44Å; L276-L293 HydrophobicContact CG-CD2 4.45Å; L276-L296 HydrophobicContact CD1-CB 4.47Å; L276-L296 HydrophobicContact CD1-CD2 4.22Å |
| 277 | V | 97.5 | Very high | 96.4 | Very high | 40 Ų | 40 | 79 Ų | 79 | 24% | 0.242 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 174.5 | 169.4 | 0 | 0 | 0 | 0 | 110.6 | R273 A279 Q280 R281 L293 | R273-V277 HydrophobicContact CG-CG2 4.17Å; R273-V277 WeakPolarHBondContact O-CB 3.08Å; R273-V277 VanDerWaalsContact O-CG2 3.28Å; R273-V277 WeakPolarHBondContact O-CG2 3.33Å; R273-V277 PolarHBondContact O-N 2.78Å; V277-A279 VanDerWaalsContact C-N 3.34Å; V277-Q280 PolarHBondContact O-N 3.49Å; V277-R281 WeakPolarHBondContact O-CG 3.44Å; V277-R281 PolarHBondContact O-N 2.75Å; V277-L293 HydrophobicContact CG2-CD2 4.21Å |
| 278 | R | 97.9 | Very high | 96.4 | Very high | 65 Ų | 65 | 79.3 Ų | 79.3 | 25% | 0.245 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 173.2 | -70.8 | 165.5 | 58.4 | -166.5 | -2.2 | 111.3 | L256 D274 F275 Q280 R281 E282 | L256-R278 HydrophobicContact CD1-CB 3.97Å; L256-R278 HydrophobicContact CD2-CB 4.19Å; D274-R278 WeakPolarHBondContact O-CB 3.44Å; D274-R278 WeakPolarHBondContact O-CD 3.22Å; D274-R278 VanDerWaalsContact O-CG 3.25Å; D274-R278 WeakPolarHBondContact O-CG 3.26Å; D274-R278 PolarHBondContact O-N 3.34Å; D274-R278 WeakPolarHBondContact OD2-CD 3.46Å; D274-R278 IonicContact OD2-NH1 3.15Å; D274-R278 PolarHBondContact OD2-NH1 3.5Å; D274-R278 VanDerWaalsContact OD2-NH1 3.15Å; F275-R278 PolarHBondContact O-N 3.12Å; R278-Q280 VanDerWaalsContact C-N 3.32Å; R278-Q280 PolarHBondContact O-N 2.8Å; R278-R281 PolarHBondContact O-N 2.76Å; R278-E282 PolarHBondContact O-N 2.88Å |
| 279 | A | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L256 F257 F275 L276 V277 E282 Q283 I289 | L256-A279 HydrophobicContact CB-CB 3.66Å; L256-A279 HydrophobicContact CD1-CB 4.48Å; F257-A279 HydrophobicContact CB-CB 4.43Å; F275-A279 WeakPolarHBondContact O-CB 3.33Å; F275-A279 PolarHBondContact O-N 3.34Å; L276-A279 WeakPolarHBondContact O-CB 3.41Å; L276-A279 PolarHBondContact O-N 3.04Å; V277-A279 VanDerWaalsContact C-N 3.34Å; A279-E282 PolarHBondContact O-N 2.79Å; A279-Q283 PolarHBondContact O-N 3.37Å; A279-I289 HydrophobicContact CB-CD1 3.9Å; A279-I289 HydrophobicContact CB-CG2 4.16Å |
| 280 | Q | 97.8 | Very high | 96.5 | Very high | 69 Ų | 69 | 76 Ų | 76 | 32% | 0.322 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 176.7 | -172.7 | -172.3 | 47.2 | 0 | 0 | 112 | L276 V277 R278 E282 Q283 P284 I289 N290 L293 | L276-Q280 WeakPolarHBondContact O-CB 3.36Å; L276-Q280 PolarHBondContact O-N 2.85Å; V277-Q280 PolarHBondContact O-N 3.49Å; R278-Q280 VanDerWaalsContact C-N 3.32Å; R278-Q280 PolarHBondContact O-N 2.8Å; Q280-E282 VanDerWaalsContact C-N 3.31Å; Q280-E282 PolarHBondContact O-N 3.19Å; Q280-Q283 CarbonylContact O-C 3.56Å; Q280-Q283 PolarHBondContact O-N 2.96Å; Q280-P284 WeakPolarHBondContact O-CA 3.25Å; Q280-P284 WeakPolarHBondContact O-CD 3.42Å; Q280-P284 WeakPolarHBondContact O-CG 3.43Å; Q280-I289 HydrophobicContact CB-CG2 3.95Å; Q280-N290 PolarHBondContact NE2-OD1 3.26Å; Q280-L293 HydrophobicContact CB-CD1 4.06Å; Q280-L293 HydrophobicContact CG-CD1 4.27Å |
| 281 | R | 97.3 | Very high | 96.6 | Very high | 184 Ų | 184 | 72.4 Ų | 72.4 | 69% | 0.694 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.1 | -39.3 | 175.3 | -72.5 | 173.3 | -176.5 | 178.3 | 1.3 | 112.2 | V277 R278 | V277-R281 WeakPolarHBondContact O-CG 3.44Å; V277-R281 PolarHBondContact O-N 2.75Å; R278-R281 PolarHBondContact O-N 2.76Å |
| 282 | E | 97.1 | Very high | 96.5 | Very high | 88 Ų | 88 | 68.5 Ų | 68.5 | 41% | 0.411 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -76 | -30.4 | 177.1 | -59.2 | -61 | 150.2 | 0 | 0 | 112.2 | K251 A253 L256 R278 A279 Q280 | K251-E282 HydrophobicContact CB-CG 4.37Å; A253-E282 HydrophobicContact CB-CB 4.22Å; L256-E282 HydrophobicContact CD1-CG 4.35Å; R278-E282 PolarHBondContact O-N 2.88Å; A279-E282 PolarHBondContact O-N 2.79Å; Q280-E282 VanDerWaalsContact C-N 3.31Å; Q280-E282 PolarHBondContact O-N 3.19Å |
| 283 | Q | 96.6 | Very high | 96.4 | Very high | 81 Ų | 81 | 69.9 Ų | 69.9 | 38% | 0.379 | 33% | 0.326 | S | S | . | . | trans | -137.7 | 77.9 | 177.3 | -63.5 | -172.4 | -11.6 | 0 | 0 | 112.8 | A253 A279 Q280 F285 N286 I289 | A253-Q283 HydrophobicContact CB-CG 3.74Å; A279-Q283 PolarHBondContact O-N 3.37Å; Q280-Q283 CarbonylContact O-C 3.56Å; Q280-Q283 PolarHBondContact O-N 2.96Å; Q283-F285 VanDerWaalsContact C-N 3.33Å; Q283-F285 PolarHBondContact O-N 3.49Å; Q283-N286 HydrophobicContact CB-CB 3.91Å; Q283-N286 WeakPolarHBondContact O-CB 3.47Å; Q283-N286 PolarHBondContact O-N 3.15Å; Q283-N286 PolarHBondContact OE1-ND2 2.63Å; Q283-I289 HydrophobicContact CB-CD1 4.09Å | ||
| 284 | P | 94.9 | Very high | 96.3 | Very high | 68 Ų | 68 | 69.6 Ų | 69.6 | 44% | 0.442 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -33.7 | -171.3 | -25.6 | 34.8 | 0 | 0 | 0 | 114.8 | Q280 N290 | Q280-P284 WeakPolarHBondContact O-CA 3.25Å; Q280-P284 WeakPolarHBondContact O-CD 3.42Å; Q280-P284 WeakPolarHBondContact O-CG 3.43Å; P284-N290 PolarHBondContact O-ND2 3.32Å |
| 285 | F | 94.8 | Very high | 96.1 | Very high | 199 Ų | 199 | 70.5 Ų | 70.5 | 87% | 0.873 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 7.4 | -176.4 | -54.1 | -67.9 | 0 | 0 | 0 | 113.6 | Q283 H287 | Q283-F285 VanDerWaalsContact C-N 3.33Å; Q283-F285 PolarHBondContact O-N 3.49Å; F285-H287 PolarHBondContact O-N 3.03Å |
| 286 | N | 96.1 | Very high | 96 | Very high | 44 Ų | 44 | 70.1 Ų | 70.1 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | trans | -74.2 | 114.6 | 178.8 | -173.5 | -43.9 | 0 | 0 | 0 | 110.4 | Q283 D288 I289 N290 | Q283-N286 HydrophobicContact CB-CB 3.91Å; Q283-N286 WeakPolarHBondContact O-CB 3.47Å; Q283-N286 PolarHBondContact O-N 3.15Å; Q283-N286 PolarHBondContact OE1-ND2 2.63Å; N286-D288 VanDerWaalsContact C-N 3.33Å; N286-D288 PolarHBondContact O-N 3.36Å; N286-D288 WeakPolarHBondContact OD1-CB 3.32Å; N286-D288 PolarHBondContact OD1-N 2.95Å; N286-I289 HydrophobicContact CB-CB 4.31Å; N286-I289 HydrophobicContact CB-CD1 3.8Å; N286-I289 HydrophobicContact CB-CG1 4Å; N286-I289 PolarHBondContact O-N 3.03Å; N286-I289 PolarHBondContact OD1-N 2.81Å; N286-N290 PolarHBondContact O-N 3.35Å; N286-N290 PolarHBondContact O-ND2 3.13Å; N286-N290 VanDerWaalsContact O-ND2 3.08Å | ||
| 287 | H | 95.6 | Very high | 95.8 | Very high | 123 Ų | 123 | 72.6 Ų | 72.6 | 57% | 0.569 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.6 | -37.2 | -177.1 | -169.7 | 58 | 0 | 0 | 0 | 112.8 | F285 N290 N291 | F285-H287 PolarHBondContact O-N 3.03Å; H287-N290 PolarHBondContact O-N 3.4Å; H287-N291 PolarHBondContact CD2-ND2 3.47Å; H287-N291 PolarHBondContact CE1-ND2 2.91Å; H287-N291 VanDerWaalsContact CE1-ND2 3.34Å; H287-N291 PolarHBondContact CE1-OD1 3Å; H287-N291 VanDerWaalsContact CE1-OD1 3.31Å; H287-N291 PolarHBondContact NE2-ND2 2.86Å; H287-N291 WeakPolarHBondContact O-CB 3.34Å; H287-N291 PolarHBondContact O-N 2.82Å; H287-N291 PolarHBondContact O-ND2 2.54Å |
| 288 | D | 94.7 | Very high | 95.6 | Very high | 101 Ų | 101 | 72.7 Ų | 72.7 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | -178.8 | -59.7 | -37.4 | 0 | 0 | 0 | 111.2 | F257 N286 N290 N291 E292 | F257-D288 HydrophobicContact CE2-CB 4.48Å; F257-D288 HydrophobicContact CZ-CB 4.03Å; N286-D288 VanDerWaalsContact C-N 3.33Å; N286-D288 PolarHBondContact O-N 3.36Å; N286-D288 WeakPolarHBondContact OD1-CB 3.32Å; N286-D288 PolarHBondContact OD1-N 2.95Å; D288-N290 PolarHBondContact O-N 3.47Å; D288-N291 PolarHBondContact O-N 2.93Å; D288-E292 WeakPolarHBondContact O-CB 3.4Å; D288-E292 PolarHBondContact O-N 3.43Å |
| 289 | I | 95.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.01 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 177.8 | -58.8 | 177 | 0 | 0 | 0 | 110.3 | F257 A279 Q280 Q283 N286 N291 E292 L293 | F257-I289 HydrophobicContact CB-CG1 4.48Å; F257-I289 HydrophobicContact CD2-CB 4.31Å; F257-I289 HydrophobicContact CD2-CG1 3.69Å; F257-I289 HydrophobicContact CE2-CG1 4.18Å; F257-I289 HydrophobicContact CG-CG1 4.23Å; A279-I289 HydrophobicContact CB-CD1 3.9Å; A279-I289 HydrophobicContact CB-CG2 4.16Å; Q280-I289 HydrophobicContact CB-CG2 3.95Å; Q283-I289 HydrophobicContact CB-CD1 4.09Å; N286-I289 HydrophobicContact CB-CB 4.31Å; N286-I289 HydrophobicContact CB-CD1 3.8Å; N286-I289 HydrophobicContact CB-CG1 4Å; N286-I289 PolarHBondContact O-N 3.03Å; N286-I289 PolarHBondContact OD1-N 2.81Å; I289-N291 VanDerWaalsContact C-N 3.33Å; I289-N291 PolarHBondContact O-N 2.93Å; I289-E292 PolarHBondContact O-N 3.36Å; I289-L293 HydrophobicContact CG2-CD1 4.31Å; I289-L293 PolarHBondContact O-N 3.28Å |
| 290 | N | 95.4 | Very high | 95 | Very high | 37 Ų | 37 | 77.3 Ų | 77.3 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.1 | -37.3 | -179.2 | -71.7 | -33.6 | 0 | 0 | 0 | 112.1 | Q280 P284 N286 H287 D288 K294 | Q280-N290 PolarHBondContact NE2-OD1 3.26Å; P284-N290 PolarHBondContact O-ND2 3.32Å; N286-N290 PolarHBondContact O-N 3.35Å; N286-N290 PolarHBondContact O-ND2 3.13Å; N286-N290 VanDerWaalsContact O-ND2 3.08Å; H287-N290 PolarHBondContact O-N 3.4Å; D288-N290 PolarHBondContact O-N 3.47Å; N290-K294 WeakPolarHBondContact O-CG 3.31Å; N290-K294 PolarHBondContact O-N 2.88Å; N290-K294 VanDerWaalsContact O-N 3.13Å |
| 291 | N | 95.5 | Very high | 94.7 | Very high | 61 Ų | 61 | 81.5 Ų | 81.5 | 33% | 0.326 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 175.2 | -72.3 | -15.5 | 0 | 0 | 0 | 112 | H287 D288 I289 L293 K294 K295 | H287-N291 PolarHBondContact CD2-ND2 3.47Å; H287-N291 PolarHBondContact CE1-ND2 2.91Å; H287-N291 VanDerWaalsContact CE1-ND2 3.34Å; H287-N291 PolarHBondContact CE1-OD1 3Å; H287-N291 VanDerWaalsContact CE1-OD1 3.31Å; H287-N291 PolarHBondContact NE2-ND2 2.86Å; H287-N291 WeakPolarHBondContact O-CB 3.34Å; H287-N291 PolarHBondContact O-N 2.82Å; H287-N291 PolarHBondContact O-ND2 2.54Å; D288-N291 PolarHBondContact O-N 2.93Å; I289-N291 VanDerWaalsContact C-N 3.33Å; I289-N291 PolarHBondContact O-N 2.93Å; N291-L293 VanDerWaalsContact C-N 3.33Å; N291-L293 PolarHBondContact O-N 3.19Å; N291-K294 WeakPolarHBondContact O-CB 3.04Å; N291-K294 PolarHBondContact O-N 3.33Å; N291-K295 PolarHBondContact O-N 3.2Å |
| 292 | E | 95.2 | Very high | 94.3 | Very high | 26 Ų | 26 | 76.4 Ų | 76.4 | 12% | 0.121 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.9 | -36 | 176.6 | -157.8 | 78.7 | -130.6 | 0 | 0 | 111.6 | F257 Q261 L264 L276 D288 I289 K295 L296 | F257-E292 HydrophobicContact CE2-CB 3.75Å; F257-E292 HydrophobicContact CE2-CG 4.12Å; F257-E292 HydrophobicContact CZ-CB 4.46Å; Q261-E292 HydrophobicContact CG-CG 4.09Å; Q261-E292 PolarHBondContact NE2-OE2 3.04Å; L264-E292 HydrophobicContact CD1-CG 3.69Å; L264-E292 WeakPolarHBondContact CD1-OE1 3.33Å; L276-E292 HydrophobicContact CD1-CB 4.31Å; L276-E292 HydrophobicContact CD1-CG 3.98Å; L276-E292 HydrophobicContact CD2-CB 4.32Å; L276-E292 HydrophobicContact CD2-CG 4.17Å; D288-E292 WeakPolarHBondContact O-CB 3.4Å; D288-E292 PolarHBondContact O-N 3.43Å; I289-E292 PolarHBondContact O-N 3.36Å; E292-K295 WeakPolarHBondContact O-CB 3.13Å; E292-K295 PolarHBondContact O-N 2.99Å; E292-K295 IonicContact OE1-NZ 3.6Å; E292-L296 WeakPolarHBondContact O-CB 3.47Å; E292-L296 PolarHBondContact O-N 3.33Å |
| 293 | L | 95.3 | Very high | 94 | Very high | 28 Ų | 28 | 77.3 Ų | 77.3 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 171.9 | -80.5 | 169.6 | 0 | 0 | 0 | 112.8 | L276 V277 Q280 I289 N291 L296 A297 | L276-L293 HydrophobicContact CB-CD2 3.43Å; L276-L293 VanDerWaalsContact CB-CD2 3.43Å; L276-L293 HydrophobicContact CB-CG 3.86Å; L276-L293 HydrophobicContact CD1-CD2 4.17Å; L276-L293 HydrophobicContact CD1-CG 4.44Å; L276-L293 HydrophobicContact CG-CD2 4.45Å; V277-L293 HydrophobicContact CG2-CD2 4.21Å; Q280-L293 HydrophobicContact CB-CD1 4.06Å; Q280-L293 HydrophobicContact CG-CD1 4.27Å; I289-L293 HydrophobicContact CG2-CD1 4.31Å; I289-L293 PolarHBondContact O-N 3.28Å; N291-L293 VanDerWaalsContact C-N 3.33Å; N291-L293 PolarHBondContact O-N 3.19Å; L293-L296 HydrophobicContact CD2-CD2 4.25Å; L293-L296 PolarHBondContact O-N 3.06Å; L293-A297 PolarHBondContact O-N 2.87Å |
| 294 | K | 94.6 | Very high | 93.6 | Very high | 142 Ų | 142 | 75.2 Ų | 75.2 | 62% | 0.617 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.3 | -42.8 | 173.8 | -72.2 | 172.6 | -176.6 | 175.1 | 0 | 111.2 | N290 N291 A297 S298 | N290-K294 WeakPolarHBondContact O-CG 3.31Å; N290-K294 PolarHBondContact O-N 2.88Å; N290-K294 VanDerWaalsContact O-N 3.13Å; N291-K294 WeakPolarHBondContact O-CB 3.04Å; N291-K294 PolarHBondContact O-N 3.33Å; K294-A297 PolarHBondContact O-N 2.94Å; K294-S298 PolarHBondContact O-N 3.37Å |
| 295 | K | 93.5 | Very high | 93.5 | Very high | 103 Ų | 103 | 75.5 Ų | 75.5 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 175.9 | -176.6 | -175.7 | 167.9 | -163 | 0 | 111.1 | N291 E292 A297 S298 D299 | N291-K295 PolarHBondContact O-N 3.2Å; E292-K295 WeakPolarHBondContact O-CB 3.13Å; E292-K295 PolarHBondContact O-N 2.99Å; E292-K295 IonicContact OE1-NZ 3.6Å; K295-A297 VanDerWaalsContact C-N 3.27Å; K295-A297 PolarHBondContact O-N 2.57Å; K295-S298 WeakPolarHBondContact O-CA 3.47Å; K295-S298 WeakPolarHBondContact O-CB 3.49Å; K295-S298 PolarHBondContact O-N 3.06Å; K295-D299 PolarHBondContact O-N 3.42Å |
| 296 | L | 94.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 72.2 Ų | 72.2 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -51.5 | -45.9 | 173.2 | 170.7 | 71.1 | 0 | 0 | 0 | 112.1 | L264 Y269 A272 R273 L276 E292 L293 S298 D299 Y300 | L264-L296 HydrophobicContact CD1-CB 4.46Å; L264-L296 HydrophobicContact CD2-CB 3.93Å; L264-L296 HydrophobicContact CD2-CD1 3.32Å; L264-L296 HydrophobicContact CD2-CG 4.21Å; L264-L296 HydrophobicContact CG-CD1 4.33Å; Y269-L296 HydrophobicContact CD1-CD1 3.99Å; A272-L296 HydrophobicContact CB-CD1 3.99Å; R273-L296 HydrophobicContact CB-CD2 3.73Å; R273-L296 HydrophobicContact CG-CD2 4.11Å; L276-L296 HydrophobicContact CD1-CB 4.47Å; L276-L296 HydrophobicContact CD1-CD2 4.22Å; E292-L296 WeakPolarHBondContact O-CB 3.47Å; E292-L296 PolarHBondContact O-N 3.33Å; L293-L296 HydrophobicContact CD2-CD2 4.25Å; L293-L296 PolarHBondContact O-N 3.06Å; L296-S298 VanDerWaalsContact C-N 3.3Å; L296-S298 PolarHBondContact O-N 3.25Å; L296-D299 PolarHBondContact O-N 3.16Å; L296-Y300 WeakPolarHBondContact O-CB 3.21Å; L296-Y300 PolarHBondContact O-N 2.96Å |
| 297 | A | 93.6 | Very high | 92.9 | Very high | 52 Ų | 52 | 73.3 Ų | 73.3 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.4 | -31.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L293 K294 K295 R301 | L293-A297 PolarHBondContact O-N 2.87Å; K294-A297 PolarHBondContact O-N 2.94Å; K295-A297 VanDerWaalsContact C-N 3.27Å; K295-A297 PolarHBondContact O-N 2.57Å; A297-R301 WeakPolarHBondContact O-CG 3.48Å; A297-R301 PolarHBondContact O-N 2.96Å; A297-R301 PolarHBondContact O-NE 3.36Å |
| 298 | S | 93.2 | Very high | 92.6 | Very high | 43 Ų | 43 | 72.6 Ų | 72.6 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.1 | -54.7 | 172.3 | -156.5 | 0 | 0 | 0 | 0 | 111.1 | K294 K295 L296 Y300 R301 D302 | K294-S298 PolarHBondContact O-N 3.37Å; K295-S298 WeakPolarHBondContact O-CA 3.47Å; K295-S298 WeakPolarHBondContact O-CB 3.49Å; K295-S298 PolarHBondContact O-N 3.06Å; L296-S298 VanDerWaalsContact C-N 3.3Å; L296-S298 PolarHBondContact O-N 3.25Å; S298-Y300 PolarHBondContact O-N 3.05Å; S298-R301 PolarHBondContact O-N 3.41Å; S298-D302 PolarHBondContact O-N 3.49Å |
| 299 | D | 91.2 | Very high | 92.4 | Very high | 50 Ų | 50 | 73 Ų | 73 | 27% | 0.267 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59 | -38.3 | -176.9 | -64.3 | -9.5 | 0 | 0 | 0 | 111.5 | Y269 K295 L296 Y303 | Y269-D299 HydrophobicContact CE1-CB 3.95Å; K295-D299 PolarHBondContact O-N 3.42Å; L296-D299 PolarHBondContact O-N 3.16Å; D299-Y303 WeakPolarHBondContact O-CB 3.4Å; D299-Y303 PolarHBondContact O-N 3.39Å |
| 300 | Y | 91.4 | Very high | 92.1 | Very high | 111 Ų | 111 | 77.5 Ų | 77.5 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.7 | -38.8 | 176.8 | -176.7 | -110.3 | 0 | 0 | 0 | 112.8 | Y269 L296 S298 Y303 V304 | Y269-Y300 HydrophobicContact CD2-CD2 4.01Å; Y269-Y300 AromaticContact CG-CD2 3.91Å; Y269-Y300 HydrophobicContact CG-CD2 3.91Å; L296-Y300 WeakPolarHBondContact O-CB 3.21Å; L296-Y300 PolarHBondContact O-N 2.96Å; S298-Y300 PolarHBondContact O-N 3.05Å; Y300-Y303 PolarHBondContact O-N 3.44Å; Y300-V304 HydrophobicContact CE1-CG2 4.14Å; Y300-V304 HydrophobicContact CE2-CG2 4.19Å; Y300-V304 WeakPolarHBondContact O-CG2 3.39Å; Y300-V304 PolarHBondContact O-N 3.31Å; Y300-V304 VanDerWaalsContact O-N 3.07Å |
| 301 | R | 91.6 | Very high | 91.6 | Very high | 157 Ų | 157 | 82.4 Ų | 82.4 | 59% | 0.592 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.2 | -47.1 | 174.7 | -77.6 | -176.5 | -61.8 | 170.3 | 7.9 | 110.9 | A297 S298 Y303 V304 D305 | A297-R301 WeakPolarHBondContact O-CG 3.48Å; A297-R301 PolarHBondContact O-N 2.96Å; A297-R301 PolarHBondContact O-NE 3.36Å; S298-R301 PolarHBondContact O-N 3.41Å; R301-Y303 VanDerWaalsContact C-N 3.27Å; R301-Y303 PolarHBondContact O-N 3.32Å; R301-V304 PolarHBondContact O-N 2.92Å; R301-V304 VanDerWaalsContact O-N 3.14Å; R301-D305 PolarHBondContact O-N 3.24Å |
| 302 | D | 90.1 | Very high | 91.2 | Very high | 78 Ų | 78 | 86.3 Ų | 86.3 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 178.9 | -65.9 | -8.1 | 0 | 0 | 0 | 111.8 | S298 K306 | S298-D302 PolarHBondContact O-N 3.49Å; D302-K306 WeakPolarHBondContact O-CB 3.49Å; D302-K306 VanDerWaalsContact O-CG 3.26Å; D302-K306 WeakPolarHBondContact O-CG 3.44Å; D302-K306 PolarHBondContact O-N 3.28Å |
| 303 | Y | 89.4 | Confident | 90.9 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 42% | 0.42 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.5 | -50.8 | 173.4 | 169.9 | -101.9 | 0 | 0 | 0 | 111.7 | Y269 D299 Y300 R301 D305 K306 E307 | Y269-Y303 HydrophobicContact CD2-CD1 4.29Å; Y269-Y303 HydrophobicContact CD2-CG 4.36Å; Y269-Y303 HydrophobicContact CE2-CD1 4.04Å; Y269-Y303 AromaticContact CE2-CD2 3.96Å; Y269-Y303 HydrophobicContact CE2-CD2 3.96Å; Y269-Y303 AromaticContact CE2-CG 3.66Å; Y269-Y303 HydrophobicContact CE2-CG 3.66Å; D299-Y303 WeakPolarHBondContact O-CB 3.4Å; D299-Y303 PolarHBondContact O-N 3.39Å; Y300-Y303 PolarHBondContact O-N 3.44Å; R301-Y303 VanDerWaalsContact C-N 3.27Å; R301-Y303 PolarHBondContact O-N 3.32Å; Y303-D305 VanDerWaalsContact C-N 3.34Å; Y303-D305 PolarHBondContact O-N 3.23Å; Y303-K306 PolarHBondContact O-N 2.86Å; Y303-E307 WeakPolarHBondContact O-CB 3.34Å; Y303-E307 PolarHBondContact O-N 2.64Å |
| 304 | V | 90.1 | Very high | 90.4 | Very high | 36 Ų | 36 | 97.6 Ų | 97.6 | 22% | 0.218 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | -179.6 | 169 | 0 | 0 | 0 | 0 | 111.6 | Y300 R301 E307 K308 | Y300-V304 HydrophobicContact CE1-CG2 4.14Å; Y300-V304 HydrophobicContact CE2-CG2 4.19Å; Y300-V304 WeakPolarHBondContact O-CG2 3.39Å; Y300-V304 PolarHBondContact O-N 3.31Å; Y300-V304 VanDerWaalsContact O-N 3.07Å; R301-V304 PolarHBondContact O-N 2.92Å; R301-V304 VanDerWaalsContact O-N 3.14Å; V304-E307 WeakPolarHBondContact O-CB 3.41Å; V304-E307 PolarHBondContact O-N 3.48Å; V304-K308 HydrophobicContact CG1-CD 4.4Å; V304-K308 WeakPolarHBondContact O-CG 3.32Å; V304-K308 PolarHBondContact O-N 3.44Å |
| 305 | D | 91.4 | Very high | 89.8 | Confident | 74 Ų | 74 | 97.4 Ų | 97.4 | 40% | 0.396 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.4 | -40.8 | -179.3 | -69.6 | -21.4 | 0 | 0 | 0 | 111.6 | R301 Y303 E307 K308 E309 | R301-D305 PolarHBondContact O-N 3.24Å; Y303-D305 VanDerWaalsContact C-N 3.34Å; Y303-D305 PolarHBondContact O-N 3.23Å; D305-E307 VanDerWaalsContact C-N 3.29Å; D305-E307 PolarHBondContact O-N 3.45Å; D305-K308 PolarHBondContact O-N 3.14Å; D305-K308 IonicContact OD1-NZ 3.21Å; D305-K308 PolarHBondContact OD1-NZ 3.07Å; D305-E309 WeakPolarHBondContact O-CG 3.24Å; D305-E309 PolarHBondContact O-N 3.29Å |
| 306 | K | 89.9 | Confident | 89 | Confident | 130 Ų | 130 | 95.4 Ų | 95.4 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.2 | -39.1 | 170.6 | -75.2 | 171.6 | -176.1 | 169.2 | 0 | 112.3 | D302 Y303 E309 M310 | D302-K306 WeakPolarHBondContact O-CB 3.49Å; D302-K306 VanDerWaalsContact O-CG 3.26Å; D302-K306 WeakPolarHBondContact O-CG 3.44Å; D302-K306 PolarHBondContact O-N 3.28Å; Y303-K306 PolarHBondContact O-N 2.86Å; K306-E309 PolarHBondContact O-N 2.92Å; K306-M310 WeakPolarHBondContact O-CG 3.22Å; K306-M310 PolarHBondContact O-N 3.09Å |
| 307 | E | 88.6 | Confident | 87.7 | Confident | 67 Ų | 67 | 105.2 Ų | 105.2 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -52.1 | 176 | -150.8 | -164.5 | 153 | 0 | 0 | 110.1 | Y303 V304 D305 E309 M310 W311 | Y303-E307 WeakPolarHBondContact O-CB 3.34Å; Y303-E307 PolarHBondContact O-N 2.64Å; V304-E307 WeakPolarHBondContact O-CB 3.41Å; V304-E307 PolarHBondContact O-N 3.48Å; D305-E307 VanDerWaalsContact C-N 3.29Å; D305-E307 PolarHBondContact O-N 3.45Å; E307-E309 VanDerWaalsContact C-N 3.33Å; E307-E309 PolarHBondContact O-N 2.79Å; E307-M310 WeakPolarHBondContact O-CB 3.4Å; E307-M310 PolarHBondContact O-N 3.18Å; E307-M310 VanDerWaalsContact O-N 3.07Å; E307-W311 PolarHBondContact O-N 3.36Å; E307-W311 PolarHBondContact OE1-NE1 2.89Å |
| 308 | K | 89.6 | Confident | 86 | Confident | 108 Ų | 108 | 107.2 Ų | 107.2 | 47% | 0.47 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.3 | -45.5 | 176.8 | -70.5 | 170.7 | -171.3 | 159 | 0 | 112.3 | V304 D305 M310 W311 H312 | V304-K308 HydrophobicContact CG1-CD 4.4Å; V304-K308 WeakPolarHBondContact O-CG 3.32Å; V304-K308 PolarHBondContact O-N 3.44Å; D305-K308 PolarHBondContact O-N 3.14Å; D305-K308 IonicContact OD1-NZ 3.21Å; D305-K308 PolarHBondContact OD1-NZ 3.07Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 3.38Å; K308-W311 PolarHBondContact O-N 3.1Å; K308-H312 PolarHBondContact O-CD2 2.86Å; K308-H312 PolarHBondContact O-N 3.03Å |
| 309 | E | 91.4 | Very high | 84.3 | Confident | 110 Ų | 110 | 107.4 Ų | 107.4 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 176.7 | -74.8 | -178.1 | -177.3 | 0 | 0 | 112.8 | D305 K306 E307 H312 R313 | D305-E309 WeakPolarHBondContact O-CG 3.24Å; D305-E309 PolarHBondContact O-N 3.29Å; K306-E309 PolarHBondContact O-N 2.92Å; E307-E309 VanDerWaalsContact C-N 3.33Å; E307-E309 PolarHBondContact O-N 2.79Å; E309-H312 PolarHBondContact O-N 2.84Å; E309-R313 WeakPolarHBondContact O-CB 3.21Å; E309-R313 WeakPolarHBondContact O-CG 3.47Å; E309-R313 PolarHBondContact O-N 3.34Å; E309-R313 PolarHBondContact O-NE 3.19Å; E309-R313 IonicContact OE2-NH2 3.58Å |
| 310 | M | 88 | Confident | 82.6 | Confident | 96 Ų | 96 | 111.7 Ų | 111.7 | 47% | 0.473 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 175.1 | -75.8 | -172.7 | -71 | 0 | 0 | 111 | K306 E307 K308 R313 M314 | K306-M310 WeakPolarHBondContact O-CG 3.22Å; K306-M310 PolarHBondContact O-N 3.09Å; E307-M310 WeakPolarHBondContact O-CB 3.4Å; E307-M310 PolarHBondContact O-N 3.18Å; E307-M310 VanDerWaalsContact O-N 3.07Å; K308-M310 VanDerWaalsContact C-N 3.34Å; K308-M310 PolarHBondContact O-N 3.38Å; M310-R313 PolarHBondContact O-N 2.79Å; M310-M314 WeakPolarHBondContact O-CB 3.48Å; M310-M314 VanDerWaalsContact O-CG 3.29Å; M310-M314 WeakPolarHBondContact O-CG 3.37Å; M310-M314 PolarHBondContact O-N 2.7Å |
| 311 | W | 84.8 | Confident | 80.7 | Confident | 141 Ų | 141 | 109.5 Ų | 109.5 | 53% | 0.534 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -57.2 | -49.6 | 174.4 | -77.4 | 106.9 | 0 | 0 | 0 | 111.3 | E307 K308 R313 M314 F315 | E307-W311 PolarHBondContact O-N 3.36Å; E307-W311 PolarHBondContact OE1-NE1 2.89Å; K308-W311 PolarHBondContact O-N 3.1Å; W311-R313 PolarHBondContact O-N 2.68Å; W311-M314 PolarHBondContact O-N 3.42Å; W311-F315 HydrophobicContact CE3-CD2 4.36Å; W311-F315 AromaticContact CE3-CE2 3.46Å; W311-F315 HydrophobicContact CE3-CE2 3.46Å; W311-F315 VanDerWaalsContact CE3-CE2 3.46Å; W311-F315 AromaticContact CE3-CZ 3.99Å; W311-F315 HydrophobicContact CE3-CZ 3.99Å; W311-F315 HydrophobicContact CZ3-CE2 4Å; W311-F315 HydrophobicContact CZ3-CZ 4.06Å; W311-F315 WeakPolarHBondContact O-CD2 3.42Å; W311-F315 PolarHBondContact O-N 2.88Å |
| 312 | H | 88.1 | Confident | 78.6 | Confident | 142 Ų | 142 | 107.1 Ų | 107.1 | 66% | 0.657 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.7 | -43.7 | 177.4 | -75.8 | -58 | 0 | 0 | 0 | 112.7 | K308 E309 F315 A316 | K308-H312 PolarHBondContact O-CD2 2.86Å; K308-H312 PolarHBondContact O-N 3.03Å; E309-H312 PolarHBondContact O-N 2.84Å; H312-F315 PolarHBondContact O-N 3.14Å; H312-A316 WeakPolarHBondContact O-CB 3.48Å; H312-A316 PolarHBondContact O-N 3.27Å |
| 313 | R | 88.8 | Confident | 76.7 | Confident | 152 Ų | 152 | 109.3 Ų | 109.3 | 57% | 0.574 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.3 | -41.2 | 176.3 | -80 | -178.3 | -90.4 | 142.5 | -11.5 | 112.6 | E309 M310 W311 R317 | E309-R313 WeakPolarHBondContact O-CB 3.21Å; E309-R313 WeakPolarHBondContact O-CG 3.47Å; E309-R313 PolarHBondContact O-N 3.34Å; E309-R313 PolarHBondContact O-NE 3.19Å; E309-R313 IonicContact OE2-NH2 3.58Å; M310-R313 PolarHBondContact O-N 2.79Å; W311-R313 PolarHBondContact O-N 2.68Å; R313-R317 WeakPolarHBondContact O-CB 3.37Å; R313-R317 PolarHBondContact O-N 2.95Å |
| 314 | M | 83.7 | Confident | 74.8 | Confident | 139 Ų | 139 | 109 Ų | 109 | 69% | 0.685 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64.7 | -42.1 | 178.5 | -73 | -67.1 | -164.8 | 0 | 0 | 111.8 | M310 W311 R317 C318 | M310-M314 WeakPolarHBondContact O-CB 3.48Å; M310-M314 VanDerWaalsContact O-CG 3.29Å; M310-M314 WeakPolarHBondContact O-CG 3.37Å; M310-M314 PolarHBondContact O-N 2.7Å; W311-M314 PolarHBondContact O-N 3.42Å; M314-R317 PolarHBondContact O-N 2.92Å; M314-C318 PolarHBondContact O-N 2.8Å |
| 315 | F | 83.1 | Confident | 72.8 | Confident | 138 Ų | 138 | 110.7 Ų | 110.7 | 61% | 0.605 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -71.9 | -38.7 | 178.4 | -75.2 | -65.2 | 0 | 0 | 0 | 113.3 | W311 H312 R317 C318 G319 | W311-F315 HydrophobicContact CE3-CD2 4.36Å; W311-F315 AromaticContact CE3-CE2 3.46Å; W311-F315 HydrophobicContact CE3-CE2 3.46Å; W311-F315 VanDerWaalsContact CE3-CE2 3.46Å; W311-F315 AromaticContact CE3-CZ 3.99Å; W311-F315 HydrophobicContact CE3-CZ 3.99Å; W311-F315 HydrophobicContact CZ3-CE2 4Å; W311-F315 HydrophobicContact CZ3-CZ 4.06Å; W311-F315 WeakPolarHBondContact O-CD2 3.42Å; W311-F315 PolarHBondContact O-N 2.88Å; H312-F315 PolarHBondContact O-N 3.14Å; F315-R317 VanDerWaalsContact C-N 3.26Å; F315-R317 PolarHBondContact O-N 2.79Å; F315-C318 PolarHBondContact O-N 3.42Å; F315-G319 PolarHBondContact O-N 2.98Å; F315-G319 VanDerWaalsContact O-N 3.13Å |
| 316 | A | 76.6 | Confident | 70.6 | Confident | 62 Ų | 62 | 116.6 Ų | 116.6 | 51% | 0.512 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -59.6 | -39.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | H312 C318 G319 D320 | H312-A316 WeakPolarHBondContact O-CB 3.48Å; H312-A316 PolarHBondContact O-N 3.27Å; A316-C318 VanDerWaalsContact C-N 3.33Å; A316-C318 PolarHBondContact O-N 3.19Å; A316-G319 PolarHBondContact O-N 2.87Å; A316-D320 PolarHBondContact O-N 2.95Å |
| 317 | R | 66.5 | Low | 68.3 | Low | 216 Ų | 216 | 119.9 Ų | 119.9 | 82% | 0.815 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -72.8 | -24.2 | 179.8 | -138.6 | 174.7 | -178.9 | 174.2 | -1.1 | 114.1 | R313 M314 F315 | R313-R317 WeakPolarHBondContact O-CB 3.37Å; R313-R317 PolarHBondContact O-N 2.95Å; M314-R317 PolarHBondContact O-N 2.92Å; F315-R317 VanDerWaalsContact C-N 3.26Å; F315-R317 PolarHBondContact O-N 2.79Å |
| 318 | C | 58.5 | Low | 67.3 | Low | 95 Ų | 95 | 122.6 Ų | 122.6 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -82.5 | -28.1 | 176.1 | -134.6 | 0 | 0 | 0 | 0 | 111.8 | M314 F315 A316 | M314-C318 PolarHBondContact O-N 2.8Å; F315-C318 PolarHBondContact O-N 3.42Å; A316-C318 VanDerWaalsContact C-N 3.33Å; A316-C318 PolarHBondContact O-N 3.19Å |
| 319 | G | 56.7 | Low | 66.1 | Low | 46 Ų | 46 | 123.3 Ų | 123.3 | 47% | 0.474 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -72.7 | -34.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | F315 A316 G321 | F315-G319 PolarHBondContact O-N 2.98Å; F315-G319 VanDerWaalsContact O-N 3.13Å; A316-G319 PolarHBondContact O-N 2.87Å; G319-G321 VanDerWaalsContact C-N 3.27Å; G319-G321 PolarHBondContact O-N 3.42Å |
| 320 | D | 55.2 | Low | 64.7 | Low | 141 Ų | 141 | 124.1 Ų | 124.1 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -7.1 | -179.3 | -77.3 | -17.8 | 0 | 0 | 0 | 114 | A316 | A316-D320 PolarHBondContact O-N 2.95Š|
| 321 | G | 52.1 | Low | 63.4 | Low | 64 Ų | 64 | 125.7 Ų | 125.7 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -5.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | G319 | G319-G321 VanDerWaalsContact C-N 3.27Å; G319-G321 PolarHBondContact O-N 3.42Å |
| 322 | S | 48.9 | Very low | 62 | Low | 108 Ų | 108 | 124.8 Ų | 124.8 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -108.6 | 7.5 | -171.9 | -62.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 323 | T | 50.2 | Low | 60.3 | Low | 123 Ų | 123 | 123.6 Ų | 123.6 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -117.3 | 16.4 | -178.5 | 56 | 0 | 0 | 0 | 0 | 114.9 | ||
| 324 | A | 47.9 | Very low | 58.2 | Low | 100 Ų | 100 | 121.6 Ų | 121.6 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -120.7 | 79.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 325 | G | 49.5 | Very low | 56.3 | Low | 72 Ų | 72 | 120.2 Ų | 120.2 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | 177 | 24.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 326 | E | 45.2 | Very low | 54.1 | Low | 199 Ų | 199 | 118.8 Ų | 118.8 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -143.9 | 96.7 | 164.7 | -72.9 | -170.8 | 160.7 | 0 | 0 | 110.3 | ||||
| 327 | S | 41.3 | Very low | 52 | Low | 199 Ų | 199 | 123.9 Ų | 123.9 | 100% | 1.392 | 80% | 0.795 | S | S | * | * | trans | -162 | 0 | 154.3 | 46.4 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 327 of 327 residues in 813.3 ms
(Link to these results)