A0A3Q0KII1_SCHMA Loading...

Sly1-related

AlphaFold DB , UniProt , Accession A0A3Q0KII1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 741 aa.

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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
1M91.4Very high78.6Confident35 Ų3564.8 Ų64.817%0.17240%0.396CS..  0-77.80-173.2-178.979.900112.8N3 L4 N5 L19 I29 V62 F64 N90M1-N3 CarbonylContact O-C 3.51Å; M1-N3 PolarHBondContact O-N 2.83Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-L4 VanDerWaalsContact O-N 3.09Å; M1-N5 PolarHBondContact O-N 2.72Å; M1-L19 HydrophobicContact CE-CD1 4.32Å; M1-I29 HydrophobicContact CE-CD1 4.16Å; M1-V62 HydrophobicContact CG-CG1 4.05Å; M1-V62 HydrophobicContact SD-CG1 4.48Å; M1-F64 HydrophobicContact CE-CB 3.75Å; M1-F64 HydrophobicContact CE-CD1 4.26Å; M1-F64 HydrophobicContact CE-CD2 4Å; M1-F64 HydrophobicContact CE-CG 3.74Å; M1-F64 HydrophobicContact SD-CB 3.63Å; M1-F64 HydrophobicContact SD-CD2 3.25Å; M1-F64 WeakPolarHBondContact SD-CD2 3.45Å; M1-F64 HydrophobicContact SD-CE2 3.99Å; M1-F64 HydrophobicContact SD-CG 3.57Å; M1-F64 VanDerWaalsContact SD-CG 3.57Å; M1-N90 HydrophobicContact CG-CB 4.11Å; M1-N90 HydrophobicContact SD-CB 3.8Å
2L90.8Very high77.2Confident18 Ų1869.8 Ų69.89%0.09442%0.418CS..THydrogen-bonded Turntrans-52.8-29.3-164.8-66.2172.6000116.3L4 K17 L19 L33 L38 L41 V43L2-L4 PolarHBondContact O-N 3.29Å; L2-K17 WeakPolarHBondContact O-CE 3.36Å; L2-K17 PolarHBondContact O-NZ 3.17Å; L2-L19 HydrophobicContact CD2-CD1 3.91Å; L2-L19 HydrophobicContact CD2-CD2 4.09Å; L2-L33 HydrophobicContact CD1-CD1 3.67Å; L2-L38 HydrophobicContact CD1-CD2 3.82Å; L2-L41 HydrophobicContact CD1-CD1 3.72Å; L2-V43 HydrophobicContact CD2-CG2 4.11Å
3N89.6Confident76.5Confident50 Ų5068.8 Ų68.827%0.26743%0.431SS..THydrogen-bonded Turntrans-78.849.3169.1-163.844.3000112.6M1 N5 A6 P7M1-N3 CarbonylContact O-C 3.51Å; M1-N3 PolarHBondContact O-N 2.83Å; N3-N5 PolarHBondContact O-N 2.95Å; N3-A6 PolarHBondContact ND2-O 2.91Å; N3-A6 WeakPolarHBondContact O-CB 3.38Å; N3-A6 PolarHBondContact O-N 3.39Å; N3-P7 PolarHBondContact ND2-O 3Å
4L88.8Confident76.1Confident11 Ų1169.1 Ų69.16%0.05843%0.434CS..THydrogen-bonded Turntrans48.336.5178.2-55.3-173.7000114.3M1 L2 A6 K17 V62 Y88 K118M1-L4 PolarHBondContact O-N 3.12Å; M1-L4 VanDerWaalsContact O-N 3.09Å; L2-L4 PolarHBondContact O-N 3.29Å; L4-A6 PolarHBondContact O-N 3.39Å; L4-K17 HydrophobicContact CD2-CB 4.49Å; L4-K17 HydrophobicContact CD2-CD 3.92Å; L4-K17 HydrophobicContact CD2-CG 4.49Å; L4-K17 HydrophobicContact CG-CD 4.4Å; L4-V62 HydrophobicContact CD2-CG2 3.63Å; L4-Y88 HydrophobicContact CB-CD1 4.07Å; L4-Y88 HydrophobicContact CB-CE1 3.63Å; L4-Y88 HydrophobicContact CD1-CE1 4.48Å; L4-Y88 HydrophobicContact CD1-CE2 4.25Å; L4-Y88 HydrophobicContact CD2-CD1 4.25Å; L4-Y88 HydrophobicContact CD2-CD2 3.88Å; L4-Y88 HydrophobicContact CD2-CE1 4.22Å; L4-Y88 HydrophobicContact CD2-CE2 3.84Å; L4-Y88 HydrophobicContact CD2-CG 4.09Å; L4-Y88 HydrophobicContact CG-CE1 4.32Å; L4-Y88 HydrophobicContact CG-CE2 4.46Å; L4-K118 WeakPolarHBondContact O-CD 3.47Å; L4-K118 PolarHBondContact O-NZ 2.85Å
5N85.8Confident76.6Confident26 Ų2671.7 Ų71.714%0.13944%0.439CS..THydrogen-bonded Turntrans50.538-173.6-58.367.9000113.2M1 N3 N90 K118 F120 Q122M1-N5 PolarHBondContact O-N 2.72Å; N3-N5 PolarHBondContact O-N 2.95Å; N5-N90 PolarHBondContact ND2-OD1 3.13Å; N5-N90 PolarHBondContact OD1-OD1 3.05Å; N5-N90 VanDerWaalsContact OD1-OD1 3.07Å; N5-K118 VanDerWaalsContact C-NZ 3.33Å; N5-K118 HydrophobicContact CB-CD 3.71Å; N5-K118 PolarHBondContact O-NZ 3.31Å; N5-F120 HydrophobicContact CB-CD2 4.15Å; N5-F120 HydrophobicContact CB-CE2 3.93Å; N5-F120 HydrophobicContact CB-CZ 4.17Å; N5-F120 WeakPolarHBondContact ND2-CG 3.19Å; N5-Q122 PolarHBondContact ND2-NE2 3.33Å
6A84.7Confident77.5Confident36 Ų3677.3 Ų77.330%0.29845%0.45SS..SBendtrans-114.6152.8171.200000110N3 L4N3-A6 PolarHBondContact ND2-O 2.91Å; N3-A6 WeakPolarHBondContact O-CB 3.38Å; N3-A6 PolarHBondContact O-N 3.39Å; L4-A6 PolarHBondContact O-N 3.39Å
7P78.9Confident78.5Confident91 Ų9172.8 Ų72.859%0.59142%0.423SS*.  trans-59.7155.4169.127.9-35.2000110.8N3 N9N3-P7 PolarHBondContact ND2-O 3Å; P7-N9 PolarHBondContact O-N 3.49Å
8L70.8Confident79.5Confident118 Ų11868.8 Ų68.862%0.61840%0.4SS*.  trans-73.288.9173.9-76.8154.4000109.2Y222L8-Y222 HydrophobicContact CD1-CD1 4.26Å; L8-Y222 HydrophobicContact CD1-CE1 4.13Å
9N64Low80.5Confident108 Ų10865.2 Ų65.258%0.57838%0.379SS*.  trans-81.1117.8168.9-69.5-6.7000108.4P7 S11P7-N9 PolarHBondContact O-N 3.49Å; N9-S11 PolarHBondContact O-N 3.08Å
10S59.3Low81.4Confident120 Ų12062 Ų6284%0.83936%0.36SS*.THydrogen-bonded Turntrans-66.6-4.5-173.948.50000115.6
11S60.3Low82.1Confident100 Ų10060 Ų6070%0.69935%0.347SS*.THydrogen-bonded Turntrans-92.6-23.4-174.1580000115.6N9N9-S11 PolarHBondContact O-N 3.08Å
12D62.8Low82.3Confident124 Ų12458.7 Ų58.766%0.66334%0.341SS*.SBendtrans-105.3128.7177.2-83-35.6000110
13G67Low82.5Confident57 Ų5760.4 Ų60.459%0.58835%0.348SS*.  trans-62161.1176.200000112.4Q15G13-Q15 PolarHBondContact O-N 3.37Å
14P71.9Confident82.7Confident73 Ų7359.1 Ų59.147%0.47434%0.341SS..  trans-60.3110.6-175.724.9-34.1000110.9W16P14-W16 PolarHBondContact O-N 3.46Å
15Q83.1Confident83Confident109 Ų10958.6 Ų58.651%0.50934%0.338SS..  trans-62.4133171.7-68.3-176.1-3.900109.3G13 K17G13-Q15 PolarHBondContact O-N 3.37Å; Q15-K17 WeakPolarHBondContact O-CD 3.27Å; Q15-K17 WeakPolarHBondContact O-CE 3.44Å; Q15-K17 PolarHBondContact O-NZ 3.13Å
16W90.9Very high83.4Confident160 Ų16061.8 Ų61.861%0.60635%0.349SS*.  trans-74.4131.7179.3-61.7119.5000110.9P14 G42 T44P14-W16 PolarHBondContact O-N 3.46Å; W16-G42 CarbonylContact C-O 3.57Å; W16-G42 WeakPolarHBondContact CA-O 3.47Å; W16-T44 HydrophobicContact CB-CG2 3.83Å; W16-T44 HydrophobicContact CD2-CG2 3.76Å; W16-T44 HydrophobicContact CE3-CG2 3.35Å; W16-T44 HydrophobicContact CG-CG2 3.99Å; W16-T44 HydrophobicContact CZ3-CG2 4.14Å
17K94.9Very high83.9Confident1 Ų160.8 Ų60.80%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-145163.2174.456.7-107.6157.9-166.10112L2 L4 Q15 L41 G42 V43 T44 P60 V62L2-K17 WeakPolarHBondContact O-CE 3.36Å; L2-K17 PolarHBondContact O-NZ 3.17Å; L4-K17 HydrophobicContact CD2-CB 4.49Å; L4-K17 HydrophobicContact CD2-CD 3.92Å; L4-K17 HydrophobicContact CD2-CG 4.49Å; L4-K17 HydrophobicContact CG-CD 4.4Å; Q15-K17 WeakPolarHBondContact O-CD 3.27Å; Q15-K17 WeakPolarHBondContact O-CE 3.44Å; Q15-K17 PolarHBondContact O-NZ 3.13Å; K17-L41 WeakPolarHBondContact CE-O 3.38Å; K17-L41 PolarHBondContact NZ-O 2.96Å; K17-G42 PolarHBondContact N-O 2.91Å; K17-V43 WeakPolarHBondContact O-CA 3.42Å; K17-T44 PolarHBondContact O-N 3.15Å; K17-T44 PolarHBondContact O-OG1 3.4Å; K17-P60 CarbonylContact C-O 3.5Å; K17-P60 VanDerWaalsContact CA-O 3.28Å; K17-P60 WeakPolarHBondContact CA-O 3.12Å; K17-P60 HydrophobicContact CB-CB 4.35Å; K17-P60 VanDerWaalsContact CB-O 3.29Å; K17-P60 WeakPolarHBondContact CB-O 3.37Å; K17-V62 HydrophobicContact CB-CG2 4.32Å; K17-V62 HydrophobicContact CG-CG2 4Å
18I96.4Very high84.7Confident2 Ų257 Ų571%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-94141.3168.1-60.4161.8000108.4I20 L45 L47 I56 V59 P60 A61 V62 Y84I18-I20 HydrophobicContact CG2-CD1 3.58Å; I18-I20 HydrophobicContact CG2-CG1 4.33Å; I18-L45 WeakPolarHBondContact CA-O 3.49Å; I18-L45 HydrophobicContact CG1-CB 4.43Å; I18-L47 HydrophobicContact CG2-CD1 4.23Å; I18-I56 HydrophobicContact CD1-CB 3.97Å; I18-I56 HydrophobicContact CD1-CD1 3.76Å; I18-I56 HydrophobicContact CD1-CG1 4.38Å; I18-I56 HydrophobicContact CD1-CG2 4.12Å; I18-V59 HydrophobicContact CD1-CB 4.13Å; I18-V59 HydrophobicContact CD1-CG1 3.99Å; I18-V59 HydrophobicContact CG1-CG1 3.85Å; I18-P60 PolarHBondContact N-O 2.73Å; I18-A61 WeakPolarHBondContact O-CA 3.36Å; I18-V62 PolarHBondContact O-N 2.92Å; I18-Y84 HydrophobicContact CD1-CD1 3.81Å; I18-Y84 HydrophobicContact CD1-CE1 3.63Å
19L97.7Very high85.8Confident0 Ų052 Ų520%029%0.287CS..EExtended strand (participates in β ladder)trans-104.1120.6171175.461.3000109.4M1 L2 Y21 I29 L38 V43 L45 H46 L47 V62 F64M1-L19 HydrophobicContact CE-CD1 4.32Å; L2-L19 HydrophobicContact CD2-CD1 3.91Å; L2-L19 HydrophobicContact CD2-CD2 4.09Å; L19-Y21 HydrophobicContact CD1-CD1 4.38Å; L19-Y21 HydrophobicContact CD2-CD1 3.78Å; L19-Y21 HydrophobicContact CD2-CE1 3.81Å; L19-Y21 HydrophobicContact CG-CD1 3.73Å; L19-Y21 HydrophobicContact CG-CE1 4.08Å; L19-I29 HydrophobicContact CD2-CD1 4.07Å; L19-L38 HydrophobicContact CD2-CD1 4.47Å; L19-L38 HydrophobicContact CD2-CD2 4.08Å; L19-V43 HydrophobicContact CB-CG1 3.59Å; L19-V43 HydrophobicContact CB-CG2 4.41Å; L19-L45 PolarHBondContact N-O 3.29Å; L19-H46 HydrophobicContact CB-CB 4.21Å; L19-H46 HydrophobicContact CD2-CB 4.45Å; L19-H46 CarbonylContact O-C 3.6Å; L19-H46 VanDerWaalsContact O-CA 3.24Å; L19-H46 WeakPolarHBondContact O-CA 3.33Å; L19-L47 PolarHBondContact O-N 3.45Å; L19-V62 WeakPolarHBondContact CA-O 3.32Å; L19-V62 HydrophobicContact CD1-CB 4.49Å; L19-V62 HydrophobicContact CD1-CG1 4.35Å; L19-F64 HydrophobicContact CD1-CB 4.33Å
20I98.2Very high87.1Confident0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-108.3125.2173.4-50-59.5000107.9I18 L47 L49 A61 V62 Y63 F64 Y84I18-I20 HydrophobicContact CG2-CD1 3.58Å; I18-I20 HydrophobicContact CG2-CG1 4.33Å; I20-L47 WeakPolarHBondContact CA-O 3.4Å; I20-L47 HydrophobicContact CD1-CB 3.88Å; I20-L47 HydrophobicContact CD1-CD1 4.08Å; I20-L47 HydrophobicContact CD1-CG 4.43Å; I20-L49 HydrophobicContact CG2-CB 4.19Å; I20-L49 HydrophobicContact CG2-CD1 3.67Å; I20-A61 HydrophobicContact CG1-CB 4.47Å; I20-V62 PolarHBondContact N-O 3.49Å; I20-Y63 HydrophobicContact CB-CD1 3.86Å; I20-Y63 HydrophobicContact CB-CE1 4.03Å; I20-Y63 HydrophobicContact CB-CG 4.16Å; I20-Y63 HydrophobicContact CG1-CD1 4.42Å; I20-Y63 HydrophobicContact CG1-CE1 4.18Å; I20-Y63 HydrophobicContact CG1-CE2 4.29Å; I20-Y63 HydrophobicContact CG2-CD1 3.84Å; I20-Y63 HydrophobicContact CG2-CE1 3.82Å; I20-Y63 CarbonylContact O-C 3.55Å; I20-Y63 WeakPolarHBondContact O-CA 3.38Å; I20-F64 PolarHBondContact O-N 2.99Å; I20-Y84 HydrophobicContact CG1-CE2 4.49Å
21Y97.3Very high88.6Confident22 Ų2243.8 Ų43.89%0.08624%0.237CC..EExtended strand (participates in β ladder)trans-135157.1173.747.3-121.7000112.1L19 R26 I29 H46 L47 M48 L49 F64L19-Y21 HydrophobicContact CD1-CD1 4.38Å; L19-Y21 HydrophobicContact CD2-CD1 3.78Å; L19-Y21 HydrophobicContact CD2-CE1 3.81Å; L19-Y21 HydrophobicContact CG-CD1 3.73Å; L19-Y21 HydrophobicContact CG-CE1 4.08Å; Y21-R26 HydrophobicContact CD2-CB 3.65Å; Y21-R26 HydrophobicContact CD2-CG 4.23Å; Y21-R26 HydrophobicContact CE2-CB 3.65Å; Y21-R26 HydrophobicContact CE2-CG 3.68Å; Y21-R26 HydrophobicContact CG-CB 4.35Å; Y21-I29 HydrophobicContact CD1-CD1 4.3Å; Y21-H46 HydrophobicContact CE1-CB 3.98Å; Y21-H46 PolarHBondContact OH-ND1 3.03Å; Y21-L47 PolarHBondContact N-O 3.05Å; Y21-L47 VanDerWaalsContact N-O 3.07Å; Y21-M48 HydrophobicContact CD2-SD 3.76Å; Y21-M48 HydrophobicContact CE2-SD 3.58Å; Y21-M48 VanDerWaalsContact CE2-SD 3.58Å; Y21-M48 CarbonylContact O-C 3.6Å; Y21-M48 VanDerWaalsContact O-CA 3.29Å; Y21-M48 WeakPolarHBondContact O-CA 3.28Å; Y21-L49 PolarHBondContact O-N 3.06Å; Y21-F64 VanDerWaalsContact CA-O 3.25Å; Y21-F64 WeakPolarHBondContact CA-O 3.38Å; Y21-F64 VanDerWaalsContact CB-O 3.27Å; Y21-F64 WeakPolarHBondContact CB-O 3.23Å
22D96.2Very high90Very high7 Ų743.6 Ų43.64%0.03723%0.228CC..  trans-87.3-170.8166.465.6-7.6000110.5G25 R26 L49 V65 Y66 N71D22-G25 PolarHBondContact O-N 3.22Å; D22-G25 PolarHBondContact OD1-N 3.31Å; D22-R26 PolarHBondContact O-N 3.03Å; D22-L49 HydrophobicContact CB-CB 4.46Å; D22-V65 HydrophobicContact CB-CB 4.44Å; D22-V65 HydrophobicContact CB-CG1 4.44Å; D22-Y66 VanDerWaalsContact OD2-CB 3.25Å; D22-Y66 WeakPolarHBondContact OD2-CB 3.23Å; D22-Y66 PolarHBondContact OD2-N 2.94Å; D22-N71 PolarHBondContact OD2-ND2 3.09Å
23Q94Very high91.3Very high54 Ų5440.3 Ų40.325%0.25221%0.21SC..Hα-helixtrans-61.8-44.5179.8-177.751.337.600112R26 D27 M48 T140Q23-R26 WeakPolarHBondContact O-CB 3.34Å; Q23-R26 PolarHBondContact O-N 3.36Å; Q23-R26 VanDerWaalsContact OE1-NH1 3.13Å; Q23-D27 PolarHBondContact NE2-OD1 3.48Å; Q23-D27 PolarHBondContact NE2-OD2 2.93Å; Q23-D27 PolarHBondContact O-N 3.38Å; Q23-D27 VanDerWaalsContact O-N 3.1Å; Q23-M48 HydrophobicContact CB-CE 4.3Å; Q23-T140 HydrophobicContact CG-CG2 4.11Å
24L93.8Very high92.3Very high22 Ų2239.9 Ų39.912%0.11520%0.196CC..Hα-helixtrans-64.8-45.2177.9-178.561.3000111.8R26 D27 I28 Y66 I92 S137L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 3.25Å; L24-D27 PolarHBondContact O-N 3.23Å; L24-D27 VanDerWaalsContact O-N 3.16Å; L24-I28 HydrophobicContact CD1-CD1 4.06Å; L24-I28 HydrophobicContact CD1-CG1 4.36Å; L24-I28 HydrophobicContact CG-CD1 3.83Å; L24-I28 WeakPolarHBondContact O-CD1 3.16Å; L24-I28 VanDerWaalsContact O-CG1 3.32Å; L24-I28 WeakPolarHBondContact O-CG1 3.47Å; L24-I28 PolarHBondContact O-N 3.43Å; L24-Y66 HydrophobicContact CD2-CD2 3.68Å; L24-Y66 HydrophobicContact CD2-CG 4.16Å; L24-I92 HydrophobicContact CB-CD1 4.1Å; L24-I92 HydrophobicContact CD2-CD1 4Å; L24-I92 HydrophobicContact CD2-CG2 3.9Å; L24-I92 HydrophobicContact CG-CD1 3.87Å; L24-I92 HydrophobicContact CG-CG2 4.42Å; L24-S137 WeakPolarHBondContact CD1-OG 3.15Å
25G95.6Very high93.1Very high0 Ų039.8 Ų39.80%019%0.194CC..Hα-helixtrans-62-34.717800000113D22 I29 F64D22-G25 PolarHBondContact O-N 3.22Å; D22-G25 PolarHBondContact OD1-N 3.31Å; G25-I29 WeakPolarHBondContact O-CG1 3.28Å; G25-I29 PolarHBondContact O-N 3.19Å; G25-F64 WeakPolarHBondContact O-CE1 3.48Å
26R94.8Very high93.2Very high94 Ų9441.6 Ų41.636%0.35520%0.2SC..Hα-helixtrans-63.6-49.9171.1-169.7-177.673.9-161.78.5111.5Y21 D22 Q23 L24 I28 I29 S30 M48Y21-R26 HydrophobicContact CD2-CB 3.65Å; Y21-R26 HydrophobicContact CD2-CG 4.23Å; Y21-R26 HydrophobicContact CE2-CB 3.65Å; Y21-R26 HydrophobicContact CE2-CG 3.68Å; Y21-R26 HydrophobicContact CG-CB 4.35Å; D22-R26 PolarHBondContact O-N 3.03Å; Q23-R26 WeakPolarHBondContact O-CB 3.34Å; Q23-R26 PolarHBondContact O-N 3.36Å; Q23-R26 VanDerWaalsContact OE1-NH1 3.13Å; L24-R26 VanDerWaalsContact C-N 3.28Å; L24-R26 PolarHBondContact O-N 3.25Å; R26-I28 VanDerWaalsContact C-N 3.27Å; R26-I28 PolarHBondContact O-N 3Å; R26-I29 PolarHBondContact O-N 2.99Å; R26-I29 VanDerWaalsContact O-N 3.08Å; R26-S30 WeakPolarHBondContact O-CB 3.21Å; R26-S30 PolarHBondContact O-N 3.35Å; R26-S30 PolarHBondContact O-OG 3.05Å; R26-M48 HydrophobicContact CB-SD 4.43Å
27D94.1Very high93.2Very high15 Ų1535.9 Ų35.98%0.0818%0.181CC..Hα-helixtrans-71.4-23-171.5-62.5-7.7000112.5Q23 L24 P31 I127 L295Q23-D27 PolarHBondContact NE2-OD1 3.48Å; Q23-D27 PolarHBondContact NE2-OD2 2.93Å; Q23-D27 PolarHBondContact O-N 3.38Å; Q23-D27 VanDerWaalsContact O-N 3.1Å; L24-D27 PolarHBondContact O-N 3.23Å; L24-D27 VanDerWaalsContact O-N 3.16Å; D27-P31 VanDerWaalsContact O-CD 3.25Å; D27-P31 WeakPolarHBondContact O-CD 3.43Å; D27-I127 HydrophobicContact CB-CD1 4.07Å; D27-L295 HydrophobicContact CB-CD1 3.64Å; D27-L295 HydrophobicContact CB-CD2 4.45Å
28I95.1Very high93.1Very high10 Ų1036.1 Ų36.15%0.05118%0.183CC..Hα-helixtrans-74.6-40167.9-65.3159000111.8L24 R26 L32 F64 I92 T124 I127L24-I28 HydrophobicContact CD1-CD1 4.06Å; L24-I28 HydrophobicContact CD1-CG1 4.36Å; L24-I28 HydrophobicContact CG-CD1 3.83Å; L24-I28 WeakPolarHBondContact O-CD1 3.16Å; L24-I28 VanDerWaalsContact O-CG1 3.32Å; L24-I28 WeakPolarHBondContact O-CG1 3.47Å; L24-I28 PolarHBondContact O-N 3.43Å; R26-I28 VanDerWaalsContact C-N 3.27Å; R26-I28 PolarHBondContact O-N 3Å; I28-L32 WeakPolarHBondContact O-CD1 3.39Å; I28-F64 HydrophobicContact CB-CE1 4.13Å; I28-F64 HydrophobicContact CB-CZ 4.47Å; I28-F64 HydrophobicContact CD1-CE1 4.3Å; I28-F64 HydrophobicContact CD1-CZ 4.2Å; I28-F64 HydrophobicContact CG2-CE1 4.11Å; I28-F64 HydrophobicContact CG2-CZ 4.08Å; I28-I92 HydrophobicContact CD1-CD1 4Å; I28-I92 HydrophobicContact CD1-CG1 4.28Å; I28-I92 HydrophobicContact CD1-CG2 3.67Å; I28-T124 VanDerWaalsContact CD1-O 3.23Å; I28-T124 WeakPolarHBondContact CD1-O 3.28Å; I28-I127 HydrophobicContact CG1-CG1 3.94Å
29I93.5Very high92.8Very high14 Ų1443.9 Ų43.97%0.07221%0.212CC..Hα-helixtrans-79.5-37.2-175.9-71.9176.9000112.2M1 L19 Y21 G25 R26 L32 L33 L38 F64M1-I29 HydrophobicContact CE-CD1 4.16Å; L19-I29 HydrophobicContact CD2-CD1 4.07Å; Y21-I29 HydrophobicContact CD1-CD1 4.3Å; G25-I29 WeakPolarHBondContact O-CG1 3.28Å; G25-I29 PolarHBondContact O-N 3.19Å; R26-I29 PolarHBondContact O-N 2.99Å; R26-I29 VanDerWaalsContact O-N 3.08Å; I29-L32 PolarHBondContact O-N 3.19Å; I29-L33 HydrophobicContact CG2-CB 4.28Å; I29-L33 HydrophobicContact CG2-CD1 4.48Å; I29-L33 PolarHBondContact O-N 3.35Å; I29-L38 HydrophobicContact CG2-CD2 4.35Å; I29-F64 HydrophobicContact CD1-CD1 3.51Å; I29-F64 HydrophobicContact CD1-CE1 3.91Å; I29-F64 HydrophobicContact CD1-CG 4.37Å; I29-F64 HydrophobicContact CG1-CD1 4.01Å; I29-F64 HydrophobicContact CG1-CE1 3.87Å
30S91.3Very high92.4Very high35 Ų3549.3 Ų49.325%0.24524%0.239CC..THydrogen-bonded Turntrans-62.7-32.8-169.162.80000116.1R26 L32R26-S30 WeakPolarHBondContact O-CB 3.21Å; R26-S30 PolarHBondContact O-N 3.35Å; R26-S30 PolarHBondContact O-OG 3.05Å; S30-L32 VanDerWaalsContact C-N 3.32Å
31P91Very high92Very high20 Ų2052.5 Ų52.513%0.1326%0.255CS..THydrogen-bonded Turntrans-75.3-22.8173.7-15.732.9000112.9D27 I127 C128 L129 L295D27-P31 VanDerWaalsContact O-CD 3.25Å; D27-P31 WeakPolarHBondContact O-CD 3.43Å; P31-I127 HydrophobicContact CG-CG2 3.89Å; P31-C128 WeakPolarHBondContact CB-O 3.46Å; P31-L129 HydrophobicContact CB-CD2 4.29Å; P31-L129 HydrophobicContact CG-CD2 4.11Å; P31-L295 HydrophobicContact CG-CB 4.37Å
32L90.6Very high91.8Very high96 Ų9651.4 Ų51.450%0.50325%0.251SS..THydrogen-bonded Turntrans-94-36-170.6-65.7178.9000114.1I28 I29 S30 C128I28-L32 WeakPolarHBondContact O-CD1 3.39Å; I29-L32 PolarHBondContact O-N 3.19Å; S30-L32 VanDerWaalsContact C-N 3.32Å; L32-C128 HydrophobicContact CD2-CB 4.11Å
33L90Very high91.7Very high55 Ų5551.2 Ų51.229%0.28825%0.25SS..  trans-135.6125.3-171.3-64.5175000111.4L2 I29 D37 L38 L41L2-L33 HydrophobicContact CD1-CD1 3.67Å; I29-L33 HydrophobicContact CG2-CB 4.28Å; I29-L33 HydrophobicContact CG2-CD1 4.48Å; I29-L33 PolarHBondContact O-N 3.35Å; L33-D37 HydrophobicContact CB-CB 4.44Å; L33-D37 HydrophobicContact CD2-CB 4.05Å; L33-L38 HydrophobicContact CB-CD2 4.22Å; L33-L38 HydrophobicContact CB-CG 4.31Å; L33-L38 HydrophobicContact CD1-CD2 3.89Å; L33-L41 HydrophobicContact CD1-CD1 4.26Å; L33-L41 HydrophobicContact CD2-CD1 4.39Å
34T87.7Confident91.7Very high49 Ų4952 Ų5230%0.30126%0.258SS..  trans-75.3164.5171.5740000111.1K36 D37 L38T34-K36 PolarHBondContact O-N 3.02Å; T34-K36 WeakPolarHBondContact OG1-CB 3.37Å; T34-K36 PolarHBondContact OG1-N 3.09Å; T34-D37 VanDerWaalsContact CB-OD2 3.28Å; T34-D37 WeakPolarHBondContact CB-OD2 3.32Å; T34-D37 WeakPolarHBondContact CG2-OD2 3.5Å; T34-D37 PolarHBondContact N-OD2 3.04Å; T34-D37 PolarHBondContact O-N 2.95Å; T34-D37 PolarHBondContact OG1-N 3.27Å; T34-D37 PolarHBondContact OG1-OD2 2.98Å; T34-L38 PolarHBondContact O-N 2.77Å
35V88.5Confident91.7Very high71 Ų7154.4 Ų54.443%0.4327%0.271SS..Hα-helixtrans-57.6-30171.9-179.80000111.8R39V35-R39 WeakPolarHBondContact O-CG 3.41Å; V35-R39 PolarHBondContact O-N 3.27Å
36K86.3Confident91.7Very high146 Ų14657.6 Ų57.664%0.63529%0.286SS*.Hα-helixtrans-66.5-44.8174.2-176.5-170.9174-168.80110.8T34 R39 M40T34-K36 PolarHBondContact O-N 3.02Å; T34-K36 WeakPolarHBondContact OG1-CB 3.37Å; T34-K36 PolarHBondContact OG1-N 3.09Å; K36-R39 PolarHBondContact O-N 2.83Å; K36-M40 HydrophobicContact CG-CE 4.34Å; K36-M40 WeakPolarHBondContact O-CG 3.16Å; K36-M40 PolarHBondContact O-N 3.19Å
37D89.6Confident91.8Very high40 Ų4054.9 Ų54.921%0.21428%0.278CS..Hα-helixtrans-67.6-42.6-178.9-51-46.4000111.4L33 T34 R39 M40 L41L33-D37 HydrophobicContact CB-CB 4.44Å; L33-D37 HydrophobicContact CD2-CB 4.05Å; T34-D37 VanDerWaalsContact CB-OD2 3.28Å; T34-D37 WeakPolarHBondContact CB-OD2 3.32Å; T34-D37 WeakPolarHBondContact CG2-OD2 3.5Å; T34-D37 PolarHBondContact N-OD2 3.04Å; T34-D37 PolarHBondContact O-N 2.95Å; T34-D37 PolarHBondContact OG1-N 3.27Å; T34-D37 PolarHBondContact OG1-OD2 2.98Å; D37-R39 VanDerWaalsContact C-N 3.29Å; D37-R39 PolarHBondContact O-N 3.04Å; D37-M40 HydrophobicContact CB-CE 4.37Å; D37-M40 PolarHBondContact O-N 3.09Å; D37-M40 VanDerWaalsContact O-N 3.16Å; D37-M40 WeakPolarHBondContact OD1-CE 3.38Å; D37-L41 WeakPolarHBondContact O-CB 3.44Å; D37-L41 VanDerWaalsContact O-CG 3.31Å; D37-L41 WeakPolarHBondContact O-CG 3.36Å; D37-L41 PolarHBondContact O-N 2.75Å
38L92.7Very high92Very high7 Ų756.2 Ų56.24%0.03729%0.285CS..Hα-helixtrans-55.4-44.4172.5-69177.5000111.7L2 L19 I29 L33 T34 L41 G42 V43L2-L38 HydrophobicContact CD1-CD2 3.82Å; L19-L38 HydrophobicContact CD2-CD1 4.47Å; L19-L38 HydrophobicContact CD2-CD2 4.08Å; I29-L38 HydrophobicContact CG2-CD2 4.35Å; L33-L38 HydrophobicContact CB-CD2 4.22Å; L33-L38 HydrophobicContact CB-CG 4.31Å; L33-L38 HydrophobicContact CD1-CD2 3.89Å; T34-L38 PolarHBondContact O-N 2.77Å; L38-L41 CarbonylContact O-C 3.45Å; L38-L41 PolarHBondContact O-N 3.21Å; L38-G42 PolarHBondContact O-N 3.29Å; L38-V43 HydrophobicContact CB-CB 4.14Å; L38-V43 HydrophobicContact CB-CG2 4.45Å; L38-V43 HydrophobicContact CD2-CG2 4.44Å; L38-V43 VanDerWaalsContact O-CB 3.26Å; L38-V43 WeakPolarHBondContact O-CB 3.42Å; L38-V43 PolarHBondContact O-N 3.39Å
39R91.7Very high92.1Very high164 Ų16455.8 Ų55.862%0.61928%0.283SS*.Hα-helixtrans-65.1-41.7175.8-74.4174.7177.5174.91.3113V35 K36 D37 L41 G42V35-R39 WeakPolarHBondContact O-CG 3.41Å; V35-R39 PolarHBondContact O-N 3.27Å; K36-R39 PolarHBondContact O-N 2.83Å; D37-R39 VanDerWaalsContact C-N 3.29Å; D37-R39 PolarHBondContact O-N 3.04Å; R39-L41 PolarHBondContact O-N 3.33Å; R39-G42 PolarHBondContact O-N 2.84Å
40M88.6Confident92.2Very high114 Ų11459.2 Ų59.256%0.56230%0.298SS*.Hα-helixtrans-62.8-31.5174.7-68.7-171.8-57.900112.1K36 D37 G42K36-M40 HydrophobicContact CG-CE 4.34Å; K36-M40 WeakPolarHBondContact O-CG 3.16Å; K36-M40 PolarHBondContact O-N 3.19Å; D37-M40 HydrophobicContact CB-CE 4.37Å; D37-M40 PolarHBondContact O-N 3.09Å; D37-M40 VanDerWaalsContact O-N 3.16Å; D37-M40 WeakPolarHBondContact OD1-CE 3.38Å; M40-G42 PolarHBondContact O-N 3.01Å
41L90.2Very high92.4Very high67 Ų6759.4 Ų59.435%0.35130%0.3SS..THydrogen-bonded Turntrans-79.76.1173.5-65.5172.1000113.8L2 K17 L33 D37 L38 R39L2-L41 HydrophobicContact CD1-CD1 3.72Å; K17-L41 WeakPolarHBondContact CE-O 3.38Å; K17-L41 PolarHBondContact NZ-O 2.96Å; L33-L41 HydrophobicContact CD1-CD1 4.26Å; L33-L41 HydrophobicContact CD2-CD1 4.39Å; D37-L41 WeakPolarHBondContact O-CB 3.44Å; D37-L41 VanDerWaalsContact O-CG 3.31Å; D37-L41 WeakPolarHBondContact O-CG 3.36Å; D37-L41 PolarHBondContact O-N 2.75Å; L38-L41 CarbonylContact O-C 3.45Å; L38-L41 PolarHBondContact O-N 3.21Å; R39-L41 PolarHBondContact O-N 3.33Å
42G91.9Very high92.6Very high0 Ų064.8 Ų64.80%033%0.334CS..THydrogen-bonded Turntrans82.516.9177.500000115W16 K17 L38 R39 M40 T44W16-G42 CarbonylContact C-O 3.57Å; W16-G42 WeakPolarHBondContact CA-O 3.47Å; K17-G42 PolarHBondContact N-O 2.91Å; L38-G42 PolarHBondContact O-N 3.29Å; R39-G42 PolarHBondContact O-N 2.84Å; M40-G42 PolarHBondContact O-N 3.01Å; G42-T44 PolarHBondContact O-N 3.12Å
43V95.4Very high92.8Very high2 Ų261.6 Ų61.61%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-82.9110.3170.9-177.10000108.7L2 K17 L19 L38 L45L2-V43 HydrophobicContact CD2-CG2 4.11Å; K17-V43 WeakPolarHBondContact O-CA 3.42Å; L19-V43 HydrophobicContact CB-CG1 3.59Å; L19-V43 HydrophobicContact CB-CG2 4.41Å; L38-V43 HydrophobicContact CB-CB 4.14Å; L38-V43 HydrophobicContact CB-CG2 4.45Å; L38-V43 HydrophobicContact CD2-CG2 4.44Å; L38-V43 VanDerWaalsContact O-CB 3.26Å; L38-V43 WeakPolarHBondContact O-CB 3.42Å; L38-V43 PolarHBondContact O-N 3.39Å; V43-L45 WeakPolarHBondContact CG1-O 3.39Å
44T92.3Very high92.9Very high70 Ų7066.6 Ų66.643%0.42934%0.338SS..EExtended strand (participates in β ladder)trans-77.3-38.3178.951.80000111.9W16 K17 G42W16-T44 HydrophobicContact CB-CG2 3.83Å; W16-T44 HydrophobicContact CD2-CG2 3.76Å; W16-T44 HydrophobicContact CE3-CG2 3.35Å; W16-T44 HydrophobicContact CG-CG2 3.99Å; W16-T44 HydrophobicContact CZ3-CG2 4.14Å; K17-T44 PolarHBondContact O-N 3.15Å; K17-T44 PolarHBondContact O-OG1 3.4Å; G42-T44 PolarHBondContact O-N 3.12Å
45L94.9Very high93.2Very high74 Ų7469.9 Ų69.939%0.38735%0.349SS..EExtended strand (participates in β ladder)trans-144.5141.3-174.8-172.164.1000109.6I18 L19 V43 L47 I56I18-L45 WeakPolarHBondContact CA-O 3.49Å; I18-L45 HydrophobicContact CG1-CB 4.43Å; L19-L45 PolarHBondContact N-O 3.29Å; V43-L45 WeakPolarHBondContact CG1-O 3.39Å; L45-L47 HydrophobicContact CD1-CD2 4.29Å; L45-L47 HydrophobicContact CD2-CD1 3.82Å; L45-L47 HydrophobicContact CD2-CD2 4.05Å; L45-L47 HydrophobicContact CD2-CG 4.05Å; L45-L47 HydrophobicContact CG-CD1 4.27Å; L45-L47 HydrophobicContact CG-CD2 4Å; L45-L47 HydrophobicContact CG-CG 3.97Å; L45-I56 HydrophobicContact CD2-CD1 4.3Å
46H95.8Very high93.4Very high67 Ų6769 Ų6931%0.3134%0.342SS..EExtended strand (participates in β ladder)trans-122.7132.9172.256.957.2000110.2L19 Y21L19-H46 HydrophobicContact CB-CB 4.21Å; L19-H46 HydrophobicContact CD2-CB 4.45Å; L19-H46 CarbonylContact O-C 3.6Å; L19-H46 VanDerWaalsContact O-CA 3.24Å; L19-H46 WeakPolarHBondContact O-CA 3.33Å; Y21-H46 HydrophobicContact CE1-CB 3.98Å; Y21-H46 PolarHBondContact OH-ND1 3.03Å
47L96.8Very high93.7Very high36 Ų3665 Ų6519%0.18833%0.331CS..EExtended strand (participates in β ladder)trans-136.3149.5-172-59170000111.5I18 L19 I20 Y21 L45 R53I18-L47 HydrophobicContact CG2-CD1 4.23Å; L19-L47 PolarHBondContact O-N 3.45Å; I20-L47 WeakPolarHBondContact CA-O 3.4Å; I20-L47 HydrophobicContact CD1-CB 3.88Å; I20-L47 HydrophobicContact CD1-CD1 4.08Å; I20-L47 HydrophobicContact CD1-CG 4.43Å; Y21-L47 PolarHBondContact N-O 3.05Å; Y21-L47 VanDerWaalsContact N-O 3.07Å; L45-L47 HydrophobicContact CD1-CD2 4.29Å; L45-L47 HydrophobicContact CD2-CD1 3.82Å; L45-L47 HydrophobicContact CD2-CD2 4.05Å; L45-L47 HydrophobicContact CD2-CG 4.05Å; L45-L47 HydrophobicContact CG-CD1 4.27Å; L45-L47 HydrophobicContact CG-CD2 4Å; L45-L47 HydrophobicContact CG-CG 3.97Å; L47-R53 HydrophobicContact CB-CG 4.36Å; L47-R53 HydrophobicContact CD1-CB 4.44Å; L47-R53 HydrophobicContact CD1-CG 3.91Å
48M97.4Very high93.8Very high43 Ų4369.9 Ų69.921%0.21236%0.357CS..EExtended strand (participates in β ladder)trans-77.9140.2172-63.9-70.3-61.900110.5Y21 Q23 R26 H50 S51 R53Y21-M48 HydrophobicContact CD2-SD 3.76Å; Y21-M48 HydrophobicContact CE2-SD 3.58Å; Y21-M48 VanDerWaalsContact CE2-SD 3.58Å; Y21-M48 CarbonylContact O-C 3.6Å; Y21-M48 VanDerWaalsContact O-CA 3.29Å; Y21-M48 WeakPolarHBondContact O-CA 3.28Å; Q23-M48 HydrophobicContact CB-CE 4.3Å; R26-M48 HydrophobicContact CB-SD 4.43Å; M48-H50 PolarHBondContact O-N 3.31Å; M48-S51 PolarHBondContact O-N 2.86Å; M48-S51 PolarHBondContact O-OG 3.44Å; M48-R53 PolarHBondContact O-NH1 2.75Å
49L97.4Very high93.9Very high2 Ų271.1 Ų71.11%0.0137%0.365CS..THydrogen-bonded Turntrans-62.7-27.2176.4-170.471.5000112.7I20 Y21 D22 R53 Y63 V65 N71 I74 I75I20-L49 HydrophobicContact CG2-CB 4.19Å; I20-L49 HydrophobicContact CG2-CD1 3.67Å; Y21-L49 PolarHBondContact O-N 3.06Å; D22-L49 HydrophobicContact CB-CB 4.46Å; L49-R53 PolarHBondContact O-NH1 2.97Å; L49-R53 PolarHBondContact O-NH2 3.07Å; L49-Y63 HydrophobicContact CD1-CD1 4.05Å; L49-Y63 HydrophobicContact CD1-CE1 3.85Å; L49-V65 HydrophobicContact CD2-CB 4.48Å; L49-V65 HydrophobicContact CD2-CG1 3.99Å; L49-N71 HydrophobicContact CD2-CB 3.54Å; L49-I74 HydrophobicContact CD1-CB 4.42Å; L49-I74 HydrophobicContact CD1-CG2 3.8Å; L49-I74 HydrophobicContact CD2-CB 4.46Å; L49-I74 HydrophobicContact CG-CB 4.22Å; L49-I74 HydrophobicContact CG-CD1 4.37Å; L49-I74 HydrophobicContact CG-CG2 3.85Å; L49-I74 WeakPolarHBondContact O-CG2 3.33Å; L49-I75 HydrophobicContact CD1-CG1 4.32Å
50H95.9Very high94.1Very high85 Ų8564.4 Ų64.439%0.39434%0.342SS..THydrogen-bonded Turntrans-97.2-7.7179.8-47.1-97.5000113.4M48 E70 N71M48-H50 PolarHBondContact O-N 3.31Å; H50-E70 IonicContact CE1-OE1 3.78Å; H50-E70 PolarHBondContact CE1-OE1 3.46Å; H50-E70 VanDerWaalsContact CE1-OE1 3.31Å; H50-E70 IonicContact ND1-OE1 3.73Å; H50-E70 PolarHBondContact ND1-OE1 3.49Å; H50-N71 PolarHBondContact CE1-OD1 3.39Å; H50-N71 PolarHBondContact NE2-OD1 3.41Å
51S95.8Very high94.5Very high40 Ų4059 Ų5928%0.2832%0.316SS..SBendtrans-80.6149.3173.961.30000111.3M48 R53M48-S51 PolarHBondContact O-N 2.86Å; M48-S51 PolarHBondContact O-OG 3.44Å; S51-R53 PolarHBondContact O-N 2.74Å; S51-R53 PolarHBondContact O-NH1 3.5Å
52P94.1Very high94.9Very high132 Ų13255.9 Ų55.986%0.85730%0.299SS*.  trans-57.8138.3170.426.2-34.8000110.7
53R95.6Very high95.2Very high30 Ų3055.9 Ų55.911%0.11330%0.299CS..  trans-126.8151.2-179.6-62.8-177.9-67.8-715.2110.2L47 M48 L49 S51 I74 D78 R83 Y84L47-R53 HydrophobicContact CB-CG 4.36Å; L47-R53 HydrophobicContact CD1-CB 4.44Å; L47-R53 HydrophobicContact CD1-CG 3.91Å; M48-R53 PolarHBondContact O-NH1 2.75Å; L49-R53 PolarHBondContact O-NH1 2.97Å; L49-R53 PolarHBondContact O-NH2 3.07Å; S51-R53 PolarHBondContact O-N 2.74Å; S51-R53 PolarHBondContact O-NH1 3.5Å; R53-I74 VanDerWaalsContact NH2-CG2 3.35Å; R53-D78 IonicContact CZ-OD2 3.9Å; R53-D78 IonicContact NE-OD2 2.76Å; R53-D78 PolarHBondContact NE-OD2 3.38Å; R53-D78 IonicContact NH2-OD1 2.62Å; R53-D78 PolarHBondContact NH2-OD1 3.18Å; R53-D78 IonicContact NH2-OD2 3.49Å; R53-D78 PolarHBondContact NH2-OD2 3.04Å; R53-R83 PolarHBondContact O-NH1 3.2Å; R53-Y84 WeakPolarHBondContact CD-OH 3.38Å
54E92.3Very high95.3Very high160 Ų16056.2 Ų56.275%0.74830%0.3SS*.  trans-83.7170.6169.1-64.3-176169.200110.6R83E54-R83 PolarHBondContact O-NH1 3.37Å; E54-R83 VanDerWaalsContact O-NH1 3.16Å
55Q93.1Very high95.6Very high117 Ų11752.9 Ų52.955%0.54728%0.28SS..  trans-93.9127.7173.9174.6166.729.500108.6P57 A81 G82Q55-P57 HydrophobicContact CG-CB 4.5Å; Q55-P57 HydrophobicContact CG-CG 4.49Å; Q55-A81 PolarHBondContact NE2-O 2.99Å; Q55-G82 PolarHBondContact NE2-O 2.89Å
56I94.3Very high95.6Very high53 Ų5353.5 Ų53.527%0.27228%0.278SS..BIsolated β-bridgetrans-134.973.5-177.5-50.8178.7000107I18 L45 D58 V59 R83 Y84I18-I56 HydrophobicContact CD1-CB 3.97Å; I18-I56 HydrophobicContact CD1-CD1 3.76Å; I18-I56 HydrophobicContact CD1-CG1 4.38Å; I18-I56 HydrophobicContact CD1-CG2 4.12Å; L45-I56 HydrophobicContact CD2-CD1 4.3Å; I56-D58 PolarHBondContact O-N 3.2Å; I56-V59 HydrophobicContact CG2-CB 3.91Å; I56-V59 HydrophobicContact CG2-CG2 3.64Å; I56-V59 PolarHBondContact O-N 3.13Å; I56-R83 CarbonylContact C-O 3.51Å; I56-R83 PolarHBondContact N-O 2.86Å; I56-Y84 HydrophobicContact CB-CD1 4.43Å; I56-Y84 HydrophobicContact CB-CE1 4.44Å
57P91.4Very high95.6Very high62 Ų6250.9 Ų50.940%0.40327%0.267SS..THydrogen-bonded Turntrans-75.3-9.2-162.832.9-35.6000113.5Q55 D85Q55-P57 HydrophobicContact CG-CB 4.5Å; Q55-P57 HydrophobicContact CG-CG 4.49Å; P57-D85 WeakPolarHBondContact O-CA 3.47Å; P57-D85 VanDerWaalsContact O-CB 3.28Å; P57-D85 WeakPolarHBondContact O-CB 3.26Å; P57-D85 PolarHBondContact O-N 3.19Å
58D92.7Very high95.5Very high143 Ų14350.7 Ų50.777%0.76527%0.269SS*.THydrogen-bonded Turntrans-96.93.6-179.3-51-58.3000113.3I56I56-D58 PolarHBondContact O-N 3.2Å
59V94.8Very high95.4Very high33 Ų3355.3 Ų55.320%0.229%0.288CS..SBendtrans-126.6130-172.6-176.10000111.6I18 I56 D85I18-V59 HydrophobicContact CD1-CB 4.13Å; I18-V59 HydrophobicContact CD1-CG1 3.99Å; I18-V59 HydrophobicContact CG1-CG1 3.85Å; I56-V59 HydrophobicContact CG2-CB 3.91Å; I56-V59 HydrophobicContact CG2-CG2 3.64Å; I56-V59 PolarHBondContact O-N 3.13Å; V59-D85 PolarHBondContact O-N 2.84Å
60P95.7Very high95.4Very high23 Ų2360.8 Ų60.815%0.14931%0.313CS..  trans-62143.6173.3-25.134.6000113.3K17 I18 S86 Y88K17-P60 CarbonylContact C-O 3.5Å; K17-P60 VanDerWaalsContact CA-O 3.28Å; K17-P60 WeakPolarHBondContact CA-O 3.12Å; K17-P60 HydrophobicContact CB-CB 4.35Å; K17-P60 VanDerWaalsContact CB-O 3.29Å; K17-P60 WeakPolarHBondContact CB-O 3.37Å; I18-P60 PolarHBondContact N-O 2.73Å; P60-S86 WeakPolarHBondContact CB-OG 3.46Å; P60-Y88 HydrophobicContact CB-CE2 4.27Å
61A97.2Very high95.4Very high0 Ų057 Ų570%030%0.295CS..EExtended strand (participates in β ladder)trans-116.4123.7176.500000112I18 I20 Y63 Y84 S86 Y88I18-A61 WeakPolarHBondContact O-CA 3.36Å; I20-A61 HydrophobicContact CG1-CB 4.47Å; A61-Y63 HydrophobicContact CB-CD2 4.27Å; A61-Y63 HydrophobicContact CB-CE2 3.72Å; A61-Y84 HydrophobicContact CB-CD1 4.06Å; A61-Y84 HydrophobicContact CB-CD2 3.51Å; A61-Y84 HydrophobicContact CB-CE2 4.09Å; A61-Y84 HydrophobicContact CB-CG 3.51Å; A61-S86 PolarHBondContact N-O 2.74Å; A61-Y88 PolarHBondContact O-N 3.29Å
62V97.8Very high95.5Very high1 Ų155 Ų551%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-95.4112.1171.3-178.90000108.3M1 L4 K17 I18 L19 I20M1-V62 HydrophobicContact CG-CG1 4.05Å; M1-V62 HydrophobicContact SD-CG1 4.48Å; L4-V62 HydrophobicContact CD2-CG2 3.63Å; K17-V62 HydrophobicContact CB-CG2 4.32Å; K17-V62 HydrophobicContact CG-CG2 4Å; I18-V62 PolarHBondContact O-N 2.92Å; L19-V62 WeakPolarHBondContact CA-O 3.32Å; L19-V62 HydrophobicContact CD1-CB 4.49Å; L19-V62 HydrophobicContact CD1-CG1 4.35Å; I20-V62 PolarHBondContact N-O 3.49Å
63Y98.4Very high95.7Very high0 Ų053.2 Ų53.20%026%0.262CS..EExtended strand (participates in β ladder)trans-89.9131.8173.2-70.9-108.7000108.9I20 L49 A61 I75 D78 Y84 Y87 Y88 L89 N90I20-Y63 HydrophobicContact CB-CD1 3.86Å; I20-Y63 HydrophobicContact CB-CE1 4.03Å; I20-Y63 HydrophobicContact CB-CG 4.16Å; I20-Y63 HydrophobicContact CG1-CD1 4.42Å; I20-Y63 HydrophobicContact CG1-CE1 4.18Å; I20-Y63 HydrophobicContact CG1-CE2 4.29Å; I20-Y63 HydrophobicContact CG2-CD1 3.84Å; I20-Y63 HydrophobicContact CG2-CE1 3.82Å; I20-Y63 CarbonylContact O-C 3.55Å; I20-Y63 WeakPolarHBondContact O-CA 3.38Å; L49-Y63 HydrophobicContact CD1-CD1 4.05Å; L49-Y63 HydrophobicContact CD1-CE1 3.85Å; A61-Y63 HydrophobicContact CB-CD2 4.27Å; A61-Y63 HydrophobicContact CB-CE2 3.72Å; Y63-I75 HydrophobicContact CD1-CD1 4.15Å; Y63-I75 HydrophobicContact CD1-CG1 3.8Å; Y63-I75 HydrophobicContact CE1-CG1 3.84Å; Y63-D78 WeakPolarHBondContact OH-CB 3.47Å; Y63-D78 PolarHBondContact OH-OD2 2.93Å; Y63-Y84 HydrophobicContact CE2-CD2 4.38Å; Y63-Y84 WeakPolarHBondContact OH-CD2 3.46Å; Y63-Y84 VanDerWaalsContact OH-CE2 3.28Å; Y63-Y84 WeakPolarHBondContact OH-CE2 3.48Å; Y63-Y87 AromaticContact CE2-CD1 3.64Å; Y63-Y87 HydrophobicContact CE2-CD1 3.64Å; Y63-Y87 HydrophobicContact CE2-CE1 4.36Å; Y63-Y88 PolarHBondContact N-O 3.28Å; Y63-L89 HydrophobicContact CD2-CD2 3.99Å; Y63-L89 HydrophobicContact CG-CD2 4.05Å; Y63-N90 WeakPolarHBondContact O-CA 3.26Å; Y63-N90 WeakPolarHBondContact O-CB 3.41Å; Y63-N90 PolarHBondContact O-N 3.18Å; Y63-N90 PolarHBondContact O-ND2 2.79Å
64F98.1Very high95.8Very high9 Ų953 Ų534%0.03926%0.263CS..EExtended strand (participates in β ladder)trans-130.993.6171.5-178.5-121000109.3M1 L19 I20 Y21 G25 I28 I29 N90 I92 Q122 T124M1-F64 HydrophobicContact CE-CB 3.75Å; M1-F64 HydrophobicContact CE-CD1 4.26Å; M1-F64 HydrophobicContact CE-CD2 4Å; M1-F64 HydrophobicContact CE-CG 3.74Å; M1-F64 HydrophobicContact SD-CB 3.63Å; M1-F64 HydrophobicContact SD-CD2 3.25Å; M1-F64 WeakPolarHBondContact SD-CD2 3.45Å; M1-F64 HydrophobicContact SD-CE2 3.99Å; M1-F64 HydrophobicContact SD-CG 3.57Å; M1-F64 VanDerWaalsContact SD-CG 3.57Å; L19-F64 HydrophobicContact CD1-CB 4.33Å; I20-F64 PolarHBondContact O-N 2.99Å; Y21-F64 VanDerWaalsContact CA-O 3.25Å; Y21-F64 WeakPolarHBondContact CA-O 3.38Å; Y21-F64 VanDerWaalsContact CB-O 3.27Å; Y21-F64 WeakPolarHBondContact CB-O 3.23Å; G25-F64 WeakPolarHBondContact O-CE1 3.48Å; I28-F64 HydrophobicContact CB-CE1 4.13Å; I28-F64 HydrophobicContact CB-CZ 4.47Å; I28-F64 HydrophobicContact CD1-CE1 4.3Å; I28-F64 HydrophobicContact CD1-CZ 4.2Å; I28-F64 HydrophobicContact CG2-CE1 4.11Å; I28-F64 HydrophobicContact CG2-CZ 4.08Å; I29-F64 HydrophobicContact CD1-CD1 3.51Å; I29-F64 HydrophobicContact CD1-CE1 3.91Å; I29-F64 HydrophobicContact CD1-CG 4.37Å; I29-F64 HydrophobicContact CG1-CD1 4.01Å; I29-F64 HydrophobicContact CG1-CE1 3.87Å; F64-N90 WeakPolarHBondContact CA-O 3.22Å; F64-N90 HydrophobicContact CD2-CB 4.32Å; F64-I92 HydrophobicContact CD2-CG1 4.01Å; F64-I92 HydrophobicContact CE1-CD1 4.36Å; F64-I92 HydrophobicContact CE1-CG1 4.19Å; F64-I92 HydrophobicContact CE2-CG1 3.65Å; F64-I92 HydrophobicContact CG-CG1 4.46Å; F64-I92 HydrophobicContact CZ-CD1 4.39Å; F64-I92 HydrophobicContact CZ-CG1 3.76Å; F64-Q122 HydrophobicContact CE2-CB 4.43Å; F64-Q122 HydrophobicContact CE2-CG 4.33Å; F64-T124 WeakPolarHBondContact CE2-OG1 3.39Å; F64-T124 WeakPolarHBondContact CZ-OG1 3.27Å
65V97.5Very high96Very high0 Ų045.4 Ų45.40%023%0.227CC..EExtended strand (participates in β ladder)trans-141157.1-165.3-55.80000111.9D22 L49 I75 N90 F91 I92D22-V65 HydrophobicContact CB-CB 4.44Å; D22-V65 HydrophobicContact CB-CG1 4.44Å; L49-V65 HydrophobicContact CD2-CB 4.48Å; L49-V65 HydrophobicContact CD2-CG1 3.99Å; V65-I75 HydrophobicContact CG2-CD1 3.9Å; V65-N90 PolarHBondContact N-O 3.14Å; V65-N90 VanDerWaalsContact N-O 3.08Å; V65-F91 HydrophobicContact CG2-CD1 3.91Å; V65-F91 HydrophobicContact CG2-CE1 3.92Å; V65-F91 WeakPolarHBondContact O-CA 3.36Å; V65-I92 VanDerWaalsContact C-CD1 3.46Å; V65-I92 WeakPolarHBondContact O-CG1 3.46Å; V65-I92 PolarHBondContact O-N 2.86Å
66Y95.6Very high96.2Very high87 Ų8739.9 Ų39.934%0.34120%0.202SC..  trans-75.1141.9168-171.2-99.5000110.2D22 L24 S68 N71D22-Y66 VanDerWaalsContact OD2-CB 3.25Å; D22-Y66 WeakPolarHBondContact OD2-CB 3.23Å; D22-Y66 PolarHBondContact OD2-N 2.94Å; L24-Y66 HydrophobicContact CD2-CD2 3.68Å; L24-Y66 HydrophobicContact CD2-CG 4.16Å; Y66-S68 PolarHBondContact O-N 2.89Å; Y66-N71 WeakPolarHBondContact O-CB 3.22Å; Y66-N71 PolarHBondContact O-ND2 3.27Å
67P95.7Very high96.3Very high12 Ų1241.9 Ų41.98%0.07821%0.208CC..  trans-78.259.2178.633.7-37.2000112.4F91 I95 Y99P67-F91 HydrophobicContact CB-CD1 4.02Å; P67-F91 HydrophobicContact CB-CG 4.39Å; P67-I95 HydrophobicContact CB-CB 4.22Å; P67-I95 HydrophobicContact CB-CG1 4.14Å; P67-Y99 WeakPolarHBondContact O-CE2 3.42Å
68S94.6Very high96.5Very high33 Ų3339.1 Ų39.123%0.23119%0.19CC..  trans-82.7151.7170.975.70000111.3Y66 E70 N71 I72Y66-S68 PolarHBondContact O-N 2.89Å; S68-E70 PolarHBondContact O-N 2.96Å; S68-E70 VanDerWaalsContact O-N 3.16Å; S68-N71 PolarHBondContact O-N 3.3Å; S68-N71 WeakPolarHBondContact OG-CB 3.35Å; S68-N71 PolarHBondContact OG-N 3.23Å; S68-N71 VanDerWaalsContact OG-N 3.11Å; S68-N71 PolarHBondContact OG-ND2 3.11Å; S68-N71 PolarHBondContact OG-OD1 3.22Å; S68-I72 VanDerWaalsContact O-CG1 3.26Å; S68-I72 WeakPolarHBondContact O-CG1 3.35Å; S68-I72 PolarHBondContact O-N 3.23Å
69K96.2Very high96.7Very high140 Ų14032.6 Ų32.661%0.60916%0.155SC*.Hα-helixtrans-52.2-37.9174.8-175.4169.7-176.9164.30113.4H73 Y99K69-H73 WeakPolarHBondContact O-CB 3.41Å; K69-H73 PolarHBondContact O-N 3.07Å; K69-H73 VanDerWaalsContact O-N 3.12Å; K69-Y99 HydrophobicContact CB-CE1 4.23Å; K69-Y99 HydrophobicContact CG-CE1 4.46Å
70E96.2Very high96.7Very high117 Ų11735.8 Ų35.855%0.54717%0.168SC..Hα-helixtrans-66-47.2176.5-172.7-177.1160.400111.5H50 S68 I72 H73 I74H50-E70 IonicContact CE1-OE1 3.78Å; H50-E70 PolarHBondContact CE1-OE1 3.46Å; H50-E70 VanDerWaalsContact CE1-OE1 3.31Å; H50-E70 IonicContact ND1-OE1 3.73Å; H50-E70 PolarHBondContact ND1-OE1 3.49Å; S68-E70 PolarHBondContact O-N 2.96Å; S68-E70 VanDerWaalsContact O-N 3.16Å; E70-I72 PolarHBondContact O-N 3.15Å; E70-H73 PolarHBondContact O-N 3.46Å; E70-I74 HydrophobicContact CG-CD1 4.02Å; E70-I74 WeakPolarHBondContact O-CG1 3.44Å; E70-I74 PolarHBondContact O-N 3.45Å
71N97.2Very high96.6Very high4 Ų437 Ų372%0.02118%0.179CC..Hα-helixtrans-63.6-42-178.6-68.40.3000111.7D22 L49 H50 Y66 S68 I74 I75D22-N71 PolarHBondContact OD2-ND2 3.09Å; L49-N71 HydrophobicContact CD2-CB 3.54Å; H50-N71 PolarHBondContact CE1-OD1 3.39Å; H50-N71 PolarHBondContact NE2-OD1 3.41Å; Y66-N71 WeakPolarHBondContact O-CB 3.22Å; Y66-N71 PolarHBondContact O-ND2 3.27Å; S68-N71 PolarHBondContact O-N 3.3Å; S68-N71 WeakPolarHBondContact OG-CB 3.35Å; S68-N71 PolarHBondContact OG-N 3.23Å; S68-N71 VanDerWaalsContact OG-N 3.11Å; S68-N71 PolarHBondContact OG-ND2 3.11Å; S68-N71 PolarHBondContact OG-OD1 3.22Å; N71-I74 PolarHBondContact O-N 3.16Å; N71-I75 WeakPolarHBondContact O-CG1 3.24Å; N71-I75 PolarHBondContact O-N 3.43Å
72I98Very high96.4Very high0 Ų038.2 Ų38.20%019%0.192CC..Hα-helixtrans-62.9-43.1177-59.8-64.3000110.7S68 E70 I74 I75 C76 F91 I95 Y99 E102 I103S68-I72 VanDerWaalsContact O-CG1 3.26Å; S68-I72 WeakPolarHBondContact O-CG1 3.35Å; S68-I72 PolarHBondContact O-N 3.23Å; E70-I72 PolarHBondContact O-N 3.15Å; I72-I74 PolarHBondContact O-N 3.39Å; I72-I75 PolarHBondContact O-N 3.15Å; I72-C76 PolarHBondContact O-N 3.13Å; I72-C76 PolarHBondContact O-SG 3.39Å; I72-F91 HydrophobicContact CD1-CE1 3.74Å; I72-F91 HydrophobicContact CD1-CZ 4.04Å; I72-I95 HydrophobicContact CD1-CD1 3.7Å; I72-Y99 HydrophobicContact CG1-CD2 4.24Å; I72-Y99 HydrophobicContact CG1-CG 4.04Å; I72-E102 HydrophobicContact CG2-CG 4.5Å; I72-I103 HydrophobicContact CD1-CD1 3.79Å; I72-I103 HydrophobicContact CG2-CD1 4.31Å; I72-I103 HydrophobicContact CG2-CG1 3.97Å
73H97.5Very high96.3Very high94 Ų9440.7 Ų40.744%0.43520%0.201SC..Hα-helixtrans-64.3-36.8176-176.457.3000113K69 E70 C76 K77K69-H73 WeakPolarHBondContact O-CB 3.41Å; K69-H73 PolarHBondContact O-N 3.07Å; K69-H73 VanDerWaalsContact O-N 3.12Å; E70-H73 PolarHBondContact O-N 3.46Å; H73-C76 PolarHBondContact O-N 3.17Å; H73-K77 PolarHBondContact O-N 3.4Å; H73-K77 VanDerWaalsContact O-N 3.15Å
74I97.7Very high96.2Very high26 Ų2640.8 Ų40.813%0.13320%0.202CC..Hα-helixtrans-69.5-40.8174.9-64.5165.5000111.2L49 R53 E70 N71 I72 C76 K77 D78L49-I74 HydrophobicContact CD1-CB 4.42Å; L49-I74 HydrophobicContact CD1-CG2 3.8Å; L49-I74 HydrophobicContact CD2-CB 4.46Å; L49-I74 HydrophobicContact CG-CB 4.22Å; L49-I74 HydrophobicContact CG-CD1 4.37Å; L49-I74 HydrophobicContact CG-CG2 3.85Å; L49-I74 WeakPolarHBondContact O-CG2 3.33Å; R53-I74 VanDerWaalsContact NH2-CG2 3.35Å; E70-I74 HydrophobicContact CG-CD1 4.02Å; E70-I74 WeakPolarHBondContact O-CG1 3.44Å; E70-I74 PolarHBondContact O-N 3.45Å; N71-I74 PolarHBondContact O-N 3.16Å; I72-I74 PolarHBondContact O-N 3.39Å; I74-C76 VanDerWaalsContact C-N 3.31Å; I74-C76 PolarHBondContact O-N 2.9Å; I74-K77 PolarHBondContact O-N 3.22Å; I74-D78 PolarHBondContact O-N 3.16Å
75I97.4Very high96Very high0 Ų044.1 Ų44.10%022%0.22CC..Hα-helixtrans-59.3-43.7174.1-72.6165.4000110.7L49 Y63 V65 N71 I72 K77 D78 F79 L89 F91L49-I75 HydrophobicContact CD1-CG1 4.32Å; Y63-I75 HydrophobicContact CD1-CD1 4.15Å; Y63-I75 HydrophobicContact CD1-CG1 3.8Å; Y63-I75 HydrophobicContact CE1-CG1 3.84Å; V65-I75 HydrophobicContact CG2-CD1 3.9Å; N71-I75 WeakPolarHBondContact O-CG1 3.24Å; N71-I75 PolarHBondContact O-N 3.43Å; I72-I75 PolarHBondContact O-N 3.15Å; I75-K77 PolarHBondContact O-N 2.86Å; I75-D78 PolarHBondContact O-N 3.03Å; I75-D78 VanDerWaalsContact O-N 3.12Å; I75-F79 HydrophobicContact CG2-CE1 3.88Å; I75-F79 HydrophobicContact CG2-CE2 3.75Å; I75-F79 HydrophobicContact CG2-CZ 3.34Å; I75-F79 PolarHBondContact O-N 2.95Å; I75-F79 VanDerWaalsContact O-N 3.17Å; I75-L89 HydrophobicContact CG2-CD2 4.17Å; I75-F91 HydrophobicContact CD1-CE1 4.23Å
76C96.8Very high96Very high1 Ų144.6 Ų44.61%0.00722%0.223CC..Hα-helixtrans-57.9-44.8175.5-70.60000112.2I72 H73 I74 D78 F79 E80 T106I72-C76 PolarHBondContact O-N 3.13Å; I72-C76 PolarHBondContact O-SG 3.39Å; H73-C76 PolarHBondContact O-N 3.17Å; I74-C76 VanDerWaalsContact C-N 3.31Å; I74-C76 PolarHBondContact O-N 2.9Å; C76-D78 VanDerWaalsContact C-N 3.3Å; C76-D78 PolarHBondContact O-N 2.64Å; C76-F79 WeakPolarHBondContact O-CB 3.18Å; C76-F79 PolarHBondContact O-N 3.19Å; C76-F79 VanDerWaalsContact O-N 3.15Å; C76-E80 PolarHBondContact O-N 2.9Å; C76-T106 HydrophobicContact CB-CG2 3.88Å
77K96.2Very high96Very high95 Ų9540.4 Ų40.441%0.41321%0.207SC..Hα-helixtrans-64.2-31.1174.7-75175173.8166.40114.2H73 I74 I75 F79 E80 A81H73-K77 PolarHBondContact O-N 3.4Å; H73-K77 VanDerWaalsContact O-N 3.15Å; I74-K77 PolarHBondContact O-N 3.22Å; I75-K77 PolarHBondContact O-N 2.86Å; K77-F79 VanDerWaalsContact C-N 3.28Å; K77-E80 PolarHBondContact O-N 2.88Å; K77-A81 WeakPolarHBondContact O-CB 3.39Å; K77-A81 PolarHBondContact O-N 3.38Å
78D96.3Very high96.1Very high4 Ų441.3 Ų41.32%0.02121%0.209CC..Hα-helixtrans-72.1-26.4176.5-74.9-7000111.7R53 Y63 I74 I75 C76 G82 R83 Y87R53-D78 IonicContact CZ-OD2 3.9Å; R53-D78 IonicContact NE-OD2 2.76Å; R53-D78 PolarHBondContact NE-OD2 3.38Å; R53-D78 IonicContact NH2-OD1 2.62Å; R53-D78 PolarHBondContact NH2-OD1 3.18Å; R53-D78 IonicContact NH2-OD2 3.49Å; R53-D78 PolarHBondContact NH2-OD2 3.04Å; Y63-D78 WeakPolarHBondContact OH-CB 3.47Å; Y63-D78 PolarHBondContact OH-OD2 2.93Å; I74-D78 PolarHBondContact O-N 3.16Å; I75-D78 PolarHBondContact O-N 3.03Å; I75-D78 VanDerWaalsContact O-N 3.12Å; C76-D78 VanDerWaalsContact C-N 3.3Å; C76-D78 PolarHBondContact O-N 2.64Å; D78-G82 PolarHBondContact O-N 2.82Å; D78-R83 HydrophobicContact CB-CB 4.49Å; D78-R83 HydrophobicContact CB-CG 4.23Å; D78-R83 VanDerWaalsContact CG-CD 3.46Å; D78-R83 PolarHBondContact O-N 2.77Å; D78-R83 VanDerWaalsContact O-N 3.11Å; D78-R83 WeakPolarHBondContact OD1-CD 3.13Å; D78-R83 IonicContact OD1-CZ 3Å; D78-R83 IonicContact OD1-NE 3.9Å; D78-R83 PolarHBondContact OD1-NE 2.59Å; D78-Y87 PolarHBondContact O-OH 2.75Å
79F95.6Very high96.3Very high5 Ų539.8 Ų39.82%0.02220%0.198CC..Hα-helixtrans-70.6-49.8167.1-55.1-29.9000112.2I75 C76 K77 A81 G82 Y87 L89 I103 T106 I116I75-F79 HydrophobicContact CG2-CE1 3.88Å; I75-F79 HydrophobicContact CG2-CE2 3.75Å; I75-F79 HydrophobicContact CG2-CZ 3.34Å; I75-F79 PolarHBondContact O-N 2.95Å; I75-F79 VanDerWaalsContact O-N 3.17Å; C76-F79 WeakPolarHBondContact O-CB 3.18Å; C76-F79 PolarHBondContact O-N 3.19Å; C76-F79 VanDerWaalsContact O-N 3.15Å; K77-F79 VanDerWaalsContact C-N 3.28Å; F79-A81 PolarHBondContact O-N 2.89Å; F79-G82 PolarHBondContact O-N 2.83Å; F79-Y87 AromaticContact CD1-CD1 3.76Å; F79-Y87 HydrophobicContact CD1-CD1 3.76Å; F79-Y87 HydrophobicContact CD1-CD2 4.29Å; F79-Y87 AromaticContact CD1-CE1 3.66Å; F79-Y87 HydrophobicContact CD1-CE1 3.66Å; F79-Y87 HydrophobicContact CD1-CE2 4.24Å; F79-Y87 HydrophobicContact CD1-CG 4.1Å; F79-Y87 AromaticContact CD1-CZ 3.95Å; F79-Y87 AromaticContact CE1-CD1 3.48Å; F79-Y87 HydrophobicContact CE1-CD1 3.48Å; F79-Y87 VanDerWaalsContact CE1-CD1 3.48Å; F79-Y87 HydrophobicContact CE1-CD2 4.21Å; F79-Y87 AromaticContact CE1-CE1 3.91Å; F79-Y87 HydrophobicContact CE1-CE1 3.91Å; F79-Y87 AromaticContact CE1-CG 3.68Å; F79-Y87 HydrophobicContact CE1-CG 3.68Å; F79-L89 HydrophobicContact CZ-CD1 4.27Å; F79-I103 HydrophobicContact CE2-CG2 4.13Å; F79-I103 HydrophobicContact CZ-CG2 4.47Å; F79-T106 HydrophobicContact CD2-CG2 4.35Å; F79-I116 HydrophobicContact CE1-CD1 4.16Å; F79-I116 HydrophobicContact CE1-CG1 4.27Å; F79-I116 HydrophobicContact CE2-CD1 3.93Å; F79-I116 HydrophobicContact CZ-CD1 3.66Å; F79-I116 HydrophobicContact CZ-CG1 4.22Å
80E94.5Very high96.4Very high101 Ų10133.1 Ų33.147%0.47217%0.169SC..Hα-helixtrans-53.3-38.4176-67.3166.9-161.400111.8C76 K77 T106 E110C76-E80 PolarHBondContact O-N 2.9Å; K77-E80 PolarHBondContact O-N 2.88Å; E80-T106 HydrophobicContact CG-CG2 4.47Å; E80-E110 HydrophobicContact CB-CG 4.47Å; E80-E110 HydrophobicContact CG-CG 3.97Å
81A93.9Very high96.4Very high47 Ų4727.5 Ų27.539%0.38814%0.143SC..THydrogen-bonded Turntrans-82.8-6.6177.900000114.3Q55 K77 F79 R83Q55-A81 PolarHBondContact NE2-O 2.99Å; K77-A81 WeakPolarHBondContact O-CB 3.39Å; K77-A81 PolarHBondContact O-N 3.38Å; F79-A81 PolarHBondContact O-N 2.89Å; A81-R83 VanDerWaalsContact C-N 3.32Å; A81-R83 HydrophobicContact CB-CG 3.94Å; A81-R83 PolarHBondContact O-N 2.98Å
82G94.2Very high96.4Very high26 Ų2627.3 Ų27.327%0.26814%0.142SC..THydrogen-bonded Turntrans53.945.5-176.600000112.7Q55 D78 F79 Y84Q55-G82 PolarHBondContact NE2-O 2.89Å; D78-G82 PolarHBondContact O-N 2.82Å; F79-G82 PolarHBondContact O-N 2.83Å; G82-Y84 PolarHBondContact O-N 2.91Å
83R94.6Very high96.2Very high53 Ų5327.6 Ų27.620%0.214%0.144CC..  trans-65.4-33.3-165.8-77.2-159.1-178.1-84.3-3115.6R53 E54 I56 D78 A81 Y87R53-R83 PolarHBondContact O-NH1 3.2Å; E54-R83 PolarHBondContact O-NH1 3.37Å; E54-R83 VanDerWaalsContact O-NH1 3.16Å; I56-R83 CarbonylContact C-O 3.51Å; I56-R83 PolarHBondContact N-O 2.86Å; D78-R83 HydrophobicContact CB-CB 4.49Å; D78-R83 HydrophobicContact CB-CG 4.23Å; D78-R83 VanDerWaalsContact CG-CD 3.46Å; D78-R83 PolarHBondContact O-N 2.77Å; D78-R83 VanDerWaalsContact O-N 3.11Å; D78-R83 WeakPolarHBondContact OD1-CD 3.13Å; D78-R83 IonicContact OD1-CZ 3Å; D78-R83 IonicContact OD1-NE 3.9Å; D78-R83 PolarHBondContact OD1-NE 2.59Å; A81-R83 VanDerWaalsContact C-N 3.32Å; A81-R83 HydrophobicContact CB-CG 3.94Å; A81-R83 PolarHBondContact O-N 2.98Å; R83-Y87 PolarHBondContact N-OH 2.8Å; R83-Y87 VanDerWaalsContact N-OH 3.12Å
84Y96.2Very high96Very high3 Ų325.8 Ų25.81%0.01214%0.14CC..BIsolated β-bridgetrans-137.7157.9-167.5-54.5-61.8000110.6I18 I20 R53 I56 A61 Y63 G82 Y87I18-Y84 HydrophobicContact CD1-CD1 3.81Å; I18-Y84 HydrophobicContact CD1-CE1 3.63Å; I20-Y84 HydrophobicContact CG1-CE2 4.49Å; R53-Y84 WeakPolarHBondContact CD-OH 3.38Å; I56-Y84 HydrophobicContact CB-CD1 4.43Å; I56-Y84 HydrophobicContact CB-CE1 4.44Å; A61-Y84 HydrophobicContact CB-CD1 4.06Å; A61-Y84 HydrophobicContact CB-CD2 3.51Å; A61-Y84 HydrophobicContact CB-CE2 4.09Å; A61-Y84 HydrophobicContact CB-CG 3.51Å; Y63-Y84 HydrophobicContact CE2-CD2 4.38Å; Y63-Y84 WeakPolarHBondContact OH-CD2 3.46Å; Y63-Y84 VanDerWaalsContact OH-CE2 3.28Å; Y63-Y84 WeakPolarHBondContact OH-CE2 3.48Å; G82-Y84 PolarHBondContact O-N 2.91Å; Y84-Y87 HydrophobicContact CD2-CD1 4.42Å; Y84-Y87 AromaticContact CD2-CE1 3.8Å; Y84-Y87 HydrophobicContact CD2-CE1 3.8Å; Y84-Y87 PolarHBondContact N-OH 2.92Å; Y84-Y87 VanDerWaalsContact N-OH 3.15Å; Y84-Y87 WeakPolarHBondContact O-CE2 3.4Å; Y84-Y87 PolarHBondContact O-OH 3.44Å
85D95Very high95.9Very high78 Ų7825.7 Ų25.742%0.41714%0.14SC..SBendtrans-60.2-49.6178.5162.977.6000111.6P57 V59 Q115P57-D85 WeakPolarHBondContact O-CA 3.47Å; P57-D85 VanDerWaalsContact O-CB 3.28Å; P57-D85 WeakPolarHBondContact O-CB 3.26Å; P57-D85 PolarHBondContact O-N 3.19Å; V59-D85 PolarHBondContact O-N 2.84Å; D85-Q115 WeakPolarHBondContact O-CB 3.49Å; D85-Q115 WeakPolarHBondContact O-CG 3.32Å
86S95.7Very high95.8Very high10 Ų1027.9 Ų27.97%0.0716%0.155CC..  trans-150.7148-174.449.30000111.9P60 A61 Q115P60-S86 WeakPolarHBondContact CB-OG 3.46Å; A61-S86 PolarHBondContact N-O 2.74Å; S86-Q115 CarbonylContact C-O 3.55Å; S86-Q115 VanDerWaalsContact CA-O 3.24Å; S86-Q115 WeakPolarHBondContact CA-O 3.39Å; S86-Q115 WeakPolarHBondContact CB-O 3.44Å
87Y97.3Very high95.7Very high0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-116.7122.6-169.8-55.6-104000110Y63 D78 F79 R83 Y84 Q115 S117Y63-Y87 AromaticContact CE2-CD1 3.64Å; Y63-Y87 HydrophobicContact CE2-CD1 3.64Å; Y63-Y87 HydrophobicContact CE2-CE1 4.36Å; D78-Y87 PolarHBondContact O-OH 2.75Å; F79-Y87 AromaticContact CD1-CD1 3.76Å; F79-Y87 HydrophobicContact CD1-CD1 3.76Å; F79-Y87 HydrophobicContact CD1-CD2 4.29Å; F79-Y87 AromaticContact CD1-CE1 3.66Å; F79-Y87 HydrophobicContact CD1-CE1 3.66Å; F79-Y87 HydrophobicContact CD1-CE2 4.24Å; F79-Y87 HydrophobicContact CD1-CG 4.1Å; F79-Y87 AromaticContact CD1-CZ 3.95Å; F79-Y87 AromaticContact CE1-CD1 3.48Å; F79-Y87 HydrophobicContact CE1-CD1 3.48Å; F79-Y87 VanDerWaalsContact CE1-CD1 3.48Å; F79-Y87 HydrophobicContact CE1-CD2 4.21Å; F79-Y87 AromaticContact CE1-CE1 3.91Å; F79-Y87 HydrophobicContact CE1-CE1 3.91Å; F79-Y87 AromaticContact CE1-CG 3.68Å; F79-Y87 HydrophobicContact CE1-CG 3.68Å; R83-Y87 PolarHBondContact N-OH 2.8Å; R83-Y87 VanDerWaalsContact N-OH 3.12Å; Y84-Y87 HydrophobicContact CD2-CD1 4.42Å; Y84-Y87 AromaticContact CD2-CE1 3.8Å; Y84-Y87 HydrophobicContact CD2-CE1 3.8Å; Y84-Y87 PolarHBondContact N-OH 2.92Å; Y84-Y87 VanDerWaalsContact N-OH 3.15Å; Y84-Y87 WeakPolarHBondContact O-CE2 3.4Å; Y84-Y87 PolarHBondContact O-OH 3.44Å; Y87-Q115 HydrophobicContact CD2-CB 3.81Å; Y87-Q115 HydrophobicContact CE2-CB 3.91Å; Y87-Q115 PolarHBondContact N-O 3.29Å; Y87-S117 PolarHBondContact O-N 2.82Å
88Y97.6Very high95.8Very high31 Ų3138.8 Ų38.812%0.12220%0.199CC..EExtended strand (participates in β ladder)trans-112.595.7175.5-69.9-100.6000108.6L4 P60 A61 Y63 N90 S117 K118L4-Y88 HydrophobicContact CB-CD1 4.07Å; L4-Y88 HydrophobicContact CB-CE1 3.63Å; L4-Y88 HydrophobicContact CD1-CE1 4.48Å; L4-Y88 HydrophobicContact CD1-CE2 4.25Å; L4-Y88 HydrophobicContact CD2-CD1 4.25Å; L4-Y88 HydrophobicContact CD2-CD2 3.88Å; L4-Y88 HydrophobicContact CD2-CE1 4.22Å; L4-Y88 HydrophobicContact CD2-CE2 3.84Å; L4-Y88 HydrophobicContact CD2-CG 4.09Å; L4-Y88 HydrophobicContact CG-CE1 4.32Å; L4-Y88 HydrophobicContact CG-CE2 4.46Å; P60-Y88 HydrophobicContact CB-CE2 4.27Å; A61-Y88 PolarHBondContact O-N 3.29Å; Y63-Y88 PolarHBondContact N-O 3.28Å; Y88-N90 PolarHBondContact O-ND2 3.25Å; Y88-S117 VanDerWaalsContact CZ-CB 3.41Å; Y88-K118 HydrophobicContact CD1-CB 3.94Å; Y88-K118 HydrophobicContact CD1-CD 4.1Å; Y88-K118 HydrophobicContact CD1-CG 4.14Å; Y88-K118 HydrophobicContact CE1-CB 4.4Å; Y88-K118 HydrophobicContact CE1-CD 4.02Å; Y88-K118 HydrophobicContact CE1-CG 4.11Å
89L98Very high95.8Very high0 Ų041.1 Ų41.10%021%0.208CC..EExtended strand (participates in β ladder)trans-84.4117.6-174.6-52.2-176.4000110.2Y63 I75 F79 F91 I103 I116 K118 V119 F120Y63-L89 HydrophobicContact CD2-CD2 3.99Å; Y63-L89 HydrophobicContact CG-CD2 4.05Å; I75-L89 HydrophobicContact CG2-CD2 4.17Å; F79-L89 HydrophobicContact CZ-CD1 4.27Å; L89-F91 HydrophobicContact CB-CE2 4.08Å; L89-F91 HydrophobicContact CB-CZ 4.11Å; L89-F91 HydrophobicContact CD1-CZ 4.33Å; L89-I103 HydrophobicContact CD1-CD1 4.24Å; L89-I103 HydrophobicContact CD1-CG2 4.18Å; L89-I116 HydrophobicContact CD1-CG2 4.32Å; L89-K118 PolarHBondContact N-O 3.37Å; L89-V119 HydrophobicContact CB-CG1 4.35Å; L89-V119 HydrophobicContact CB-CG2 4.34Å; L89-V119 HydrophobicContact CD1-CG2 4.18Å; L89-V119 CarbonylContact O-C 3.55Å; L89-V119 WeakPolarHBondContact O-CA 3.34Å; L89-F120 PolarHBondContact O-N 2.73Å
90N98.1Very high95.9Very high0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-123.3111.9175.9-57.8-93.2000109.3M1 N5 Y63 F64 V65 Y88 F120 Q122M1-N90 HydrophobicContact CG-CB 4.11Å; M1-N90 HydrophobicContact SD-CB 3.8Å; N5-N90 PolarHBondContact ND2-OD1 3.13Å; N5-N90 PolarHBondContact OD1-OD1 3.05Å; N5-N90 VanDerWaalsContact OD1-OD1 3.07Å; Y63-N90 WeakPolarHBondContact O-CA 3.26Å; Y63-N90 WeakPolarHBondContact O-CB 3.41Å; Y63-N90 PolarHBondContact O-N 3.18Å; Y63-N90 PolarHBondContact O-ND2 2.79Å; F64-N90 WeakPolarHBondContact CA-O 3.22Å; F64-N90 HydrophobicContact CD2-CB 4.32Å; V65-N90 PolarHBondContact N-O 3.14Å; V65-N90 VanDerWaalsContact N-O 3.08Å; Y88-N90 PolarHBondContact O-ND2 3.25Å; N90-F120 CarbonylContact C-O 3.56Å; N90-F120 WeakPolarHBondContact CA-O 3.33Å; N90-Q122 HydrophobicContact CB-CG 3.87Å; N90-Q122 PolarHBondContact OD1-NE2 3.49Å
91F97.8Very high96Very high0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-92.9130.6179.6-60.5-66.1000110.4V65 P67 I72 I75 L89 S93 I95 I103 V119 F120 Q122V65-F91 HydrophobicContact CG2-CD1 3.91Å; V65-F91 HydrophobicContact CG2-CE1 3.92Å; V65-F91 WeakPolarHBondContact O-CA 3.36Å; P67-F91 HydrophobicContact CB-CD1 4.02Å; P67-F91 HydrophobicContact CB-CG 4.39Å; I72-F91 HydrophobicContact CD1-CE1 3.74Å; I72-F91 HydrophobicContact CD1-CZ 4.04Å; I75-F91 HydrophobicContact CD1-CE1 4.23Å; L89-F91 HydrophobicContact CB-CE2 4.08Å; L89-F91 HydrophobicContact CB-CZ 4.11Å; L89-F91 HydrophobicContact CD1-CZ 4.33Å; F91-S93 VanDerWaalsContact C-N 3.3Å; F91-S93 VanDerWaalsContact CB-O 3.23Å; F91-S93 WeakPolarHBondContact CB-O 3.38Å; F91-S93 PolarHBondContact O-N 3.49Å; F91-I95 HydrophobicContact CD2-CB 3.78Å; F91-I95 HydrophobicContact CD2-CD1 4Å; F91-I95 HydrophobicContact CD2-CG1 4.45Å; F91-I95 HydrophobicContact CD2-CG2 3.96Å; F91-I95 HydrophobicContact CE1-CD1 4.12Å; F91-I95 HydrophobicContact CE2-CB 4.15Å; F91-I95 HydrophobicContact CE2-CD1 3.47Å; F91-I95 VanDerWaalsContact CE2-CD1 3.47Å; F91-I95 HydrophobicContact CE2-CG1 4.38Å; F91-I95 HydrophobicContact CE2-CG2 4.24Å; F91-I95 HydrophobicContact CG-CB 4.16Å; F91-I95 HydrophobicContact CZ-CD1 3.56Å; F91-I103 HydrophobicContact CE2-CD1 4.44Å; F91-I103 HydrophobicContact CZ-CD1 3.76Å; F91-V119 HydrophobicContact CD2-CG1 4.23Å; F91-V119 HydrophobicContact CE2-CG1 3.79Å; F91-F120 PolarHBondContact N-O 3.12Å; F91-Q122 PolarHBondContact O-N 3.36Å
92I95.9Very high96.1Very high0 Ų044.9 Ų44.90%022%0.22CC..SBendtrans-62.4-41.3-177.9-66.4167.6000110.6L24 I28 F64 V65 Y123 T124 N125L24-I92 HydrophobicContact CB-CD1 4.1Å; L24-I92 HydrophobicContact CD2-CD1 4Å; L24-I92 HydrophobicContact CD2-CG2 3.9Å; L24-I92 HydrophobicContact CG-CD1 3.87Å; L24-I92 HydrophobicContact CG-CG2 4.42Å; I28-I92 HydrophobicContact CD1-CD1 4Å; I28-I92 HydrophobicContact CD1-CG1 4.28Å; I28-I92 HydrophobicContact CD1-CG2 3.67Å; F64-I92 HydrophobicContact CD2-CG1 4.01Å; F64-I92 HydrophobicContact CE1-CD1 4.36Å; F64-I92 HydrophobicContact CE1-CG1 4.19Å; F64-I92 HydrophobicContact CE2-CG1 3.65Å; F64-I92 HydrophobicContact CG-CG1 4.46Å; F64-I92 HydrophobicContact CZ-CD1 4.39Å; F64-I92 HydrophobicContact CZ-CG1 3.76Å; V65-I92 VanDerWaalsContact C-CD1 3.46Å; V65-I92 WeakPolarHBondContact O-CG1 3.46Å; V65-I92 PolarHBondContact O-N 2.86Å; I92-Y123 PolarHBondContact O-N 2.93Å; I92-T124 PolarHBondContact O-N 2.89Å; I92-N125 HydrophobicContact CG2-CB 4.15Å
93S93.5Very high96.2Very high5 Ų543.9 Ų43.94%0.03521%0.208CC..SBendtrans-115.5161.6171.1-63.70000110F91 I95 N125F91-S93 VanDerWaalsContact C-N 3.3Å; F91-S93 VanDerWaalsContact CB-O 3.23Å; F91-S93 WeakPolarHBondContact CB-O 3.38Å; F91-S93 PolarHBondContact O-N 3.49Å; S93-I95 PolarHBondContact O-N 2.9Å; S93-N125 WeakPolarHBondContact OG-CB 3.34Å; S93-N125 PolarHBondContact OG-ND2 3.26Å
94P93.1Very high96.3Very high56 Ų5643.7 Ų43.736%0.36422%0.218SC..PPolyproline II helixtrans-56.4130.1178.7-27.337.3000113.3D121 Y123P94-D121 WeakPolarHBondContact CA-OD1 3.36Å; P94-Y123 HydrophobicContact CG-CD1 4.04Å; P94-Y123 HydrophobicContact CG-CE1 3.35Å; P94-Y123 HydrophobicContact CG-CE2 4.43Å
95I95.6Very high96.3Very high25 Ų2550.5 Ų50.513%0.12825%0.25CS..PPolyproline II helixtrans-71.9139.7177.1-172.1165000111.6P67 I72 F91 S93 L100 I103 D121P67-I95 HydrophobicContact CB-CB 4.22Å; P67-I95 HydrophobicContact CB-CG1 4.14Å; I72-I95 HydrophobicContact CD1-CD1 3.7Å; F91-I95 HydrophobicContact CD2-CB 3.78Å; F91-I95 HydrophobicContact CD2-CD1 4Å; F91-I95 HydrophobicContact CD2-CG1 4.45Å; F91-I95 HydrophobicContact CD2-CG2 3.96Å; F91-I95 HydrophobicContact CE1-CD1 4.12Å; F91-I95 HydrophobicContact CE2-CB 4.15Å; F91-I95 HydrophobicContact CE2-CD1 3.47Å; F91-I95 VanDerWaalsContact CE2-CD1 3.47Å; F91-I95 HydrophobicContact CE2-CG1 4.38Å; F91-I95 HydrophobicContact CE2-CG2 4.24Å; F91-I95 HydrophobicContact CG-CB 4.16Å; F91-I95 HydrophobicContact CZ-CD1 3.56Å; S93-I95 PolarHBondContact O-N 2.9Å; I95-L100 HydrophobicContact CD1-CB 4.46Å; I95-L100 HydrophobicContact CG2-CB 4.46Å; I95-L100 HydrophobicContact CG2-CD1 4.48Å; I95-I103 HydrophobicContact CD1-CD1 3.8Å; I95-D121 PolarHBondContact N-OD1 3.2Å
96S95.5Very high96.4Very high45 Ų4547.9 Ų47.932%0.31524%0.237SC..PPolyproline II helixtrans-68.4152.7173.681.60000110.9E98 Y99 L100S96-E98 VanDerWaalsContact C-N 3.26Å; S96-E98 PolarHBondContact O-N 3.25Å; S96-Y99 PolarHBondContact O-N 3.26Å; S96-Y99 WeakPolarHBondContact OG-CD2 3.26Å; S96-Y99 VanDerWaalsContact OG-CG 3.3Å; S96-Y99 PolarHBondContact OG-N 3.12Å; S96-L100 PolarHBondContact O-N 3.39Å
97R95.7Very high96.4Very high189 Ų18947.5 Ų47.571%0.71323%0.234SC*.Hα-helixtrans-62-35.8177-176.9172.5173.1174-1.5112.6L100 E101R97-L100 PolarHBondContact O-N 3.25Å; R97-E101 HydrophobicContact CG-CG 4.4Å; R97-E101 IonicContact CZ-OE1 3.22Å; R97-E101 VanDerWaalsContact CZ-OE1 3.22Å; R97-E101 IonicContact NE-OE1 3.9Å; R97-E101 PolarHBondContact NE-OE1 2.97Å; R97-E101 IonicContact NH2-OE1 2.83Å; R97-E101 PolarHBondContact NH2-OE1 2.94Å; R97-E101 WeakPolarHBondContact O-CB 3.17Å; R97-E101 WeakPolarHBondContact O-CG 3.36Å; R97-E101 PolarHBondContact O-N 3.05Å
98E97.2Very high96.3Very high137 Ų13753.4 Ų53.464%0.6427%0.265SS*.Hα-helixtrans-59-51.4176.3-177.7-180175.800111.3S96 L100 E101 E102S96-E98 VanDerWaalsContact C-N 3.26Å; S96-E98 PolarHBondContact O-N 3.25Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 3.43Å; E98-E101 PolarHBondContact O-N 3.11Å; E98-E102 PolarHBondContact O-N 3.16Å
99Y97.4Very high96.2Very high52 Ų5255.7 Ų55.720%0.20429%0.286CS..Hα-helixtrans-69.3-29.9179.5-61.5-30000113.1P67 K69 I72 S96 I103P67-Y99 WeakPolarHBondContact O-CE2 3.42Å; K69-Y99 HydrophobicContact CB-CE1 4.23Å; K69-Y99 HydrophobicContact CG-CE1 4.46Å; I72-Y99 HydrophobicContact CG1-CD2 4.24Å; I72-Y99 HydrophobicContact CG1-CG 4.04Å; S96-Y99 PolarHBondContact O-N 3.26Å; S96-Y99 WeakPolarHBondContact OG-CD2 3.26Å; S96-Y99 VanDerWaalsContact OG-CG 3.3Å; S96-Y99 PolarHBondContact OG-N 3.12Å; Y99-I103 WeakPolarHBondContact O-CG1 3.38Å; Y99-I103 PolarHBondContact O-N 3.45Å
100L96.6Very high96.1Very high75 Ų7559.8 Ų59.839%0.39331%0.305SS..Hα-helixtrans-69.6-38.1173.4-173.565.2000111.9I95 S96 R97 E98 A104 V119I95-L100 HydrophobicContact CD1-CB 4.46Å; I95-L100 HydrophobicContact CG2-CB 4.46Å; I95-L100 HydrophobicContact CG2-CD1 4.48Å; S96-L100 PolarHBondContact O-N 3.39Å; R97-L100 PolarHBondContact O-N 3.25Å; E98-L100 VanDerWaalsContact C-N 3.33Å; E98-L100 PolarHBondContact O-N 3.43Å; L100-A104 WeakPolarHBondContact O-CB 3.48Å; L100-A104 PolarHBondContact O-N 2.98Å; L100-V119 HydrophobicContact CD1-CG1 4.31Å
101E96.8Very high95.8Very high100 Ų10065.7 Ų65.747%0.46734%0.336SS..Hα-helixtrans-69.1-37174.2-73.6176.517900111.3R97 E98 A104 Q105R97-E101 HydrophobicContact CG-CG 4.4Å; R97-E101 IonicContact CZ-OE1 3.22Å; R97-E101 VanDerWaalsContact CZ-OE1 3.22Å; R97-E101 IonicContact NE-OE1 3.9Å; R97-E101 PolarHBondContact NE-OE1 2.97Å; R97-E101 IonicContact NH2-OE1 2.83Å; R97-E101 PolarHBondContact NH2-OE1 2.94Å; R97-E101 WeakPolarHBondContact O-CB 3.17Å; R97-E101 WeakPolarHBondContact O-CG 3.36Å; R97-E101 PolarHBondContact O-N 3.05Å; E98-E101 PolarHBondContact O-N 3.11Å; E101-A104 PolarHBondContact O-N 3.04Å; E101-Q105 WeakPolarHBondContact O-CB 3.06Å; E101-Q105 PolarHBondContact O-N 3.12Å
102E96.4Very high95.6Very high57 Ų5765.9 Ų65.927%0.26634%0.338SS..Hα-helixtrans-60-51.3171.6-173.7177.4176.400111.9I72 E98 A104 Q105 T106I72-E102 HydrophobicContact CG2-CG 4.5Å; E98-E102 PolarHBondContact O-N 3.16Å; E102-A104 VanDerWaalsContact C-N 3.32Å; E102-A104 PolarHBondContact O-N 3.02Å; E102-Q105 PolarHBondContact O-N 3.29Å; E102-T106 PolarHBondContact O-N 2.96Å; E102-T106 PolarHBondContact O-OG1 3.27Å
103I96.9Very high95.6Very high5 Ų569.3 Ų69.33%0.02636%0.359CS..Hα-helixtrans-55.3-47.1174.6-76.9172.4000111.3I72 F79 L89 F91 I95 Y99 Q105 A107 I116I72-I103 HydrophobicContact CD1-CD1 3.79Å; I72-I103 HydrophobicContact CG2-CD1 4.31Å; I72-I103 HydrophobicContact CG2-CG1 3.97Å; F79-I103 HydrophobicContact CE2-CG2 4.13Å; F79-I103 HydrophobicContact CZ-CG2 4.47Å; L89-I103 HydrophobicContact CD1-CD1 4.24Å; L89-I103 HydrophobicContact CD1-CG2 4.18Å; F91-I103 HydrophobicContact CE2-CD1 4.44Å; F91-I103 HydrophobicContact CZ-CD1 3.76Å; I95-I103 HydrophobicContact CD1-CD1 3.8Å; Y99-I103 WeakPolarHBondContact O-CG1 3.38Å; Y99-I103 PolarHBondContact O-N 3.45Å; I103-Q105 VanDerWaalsContact C-N 3.34Å; I103-Q105 PolarHBondContact O-N 3.02Å; I103-A107 VanDerWaalsContact O-CB 3.28Å; I103-A107 WeakPolarHBondContact O-CB 3.35Å; I103-A107 PolarHBondContact O-N 2.75Å; I103-I116 HydrophobicContact CG2-CD1 4.37Å
104A96.3Very high95.6Very high49 Ų4975.9 Ų75.941%0.40539%0.388SS..Hα-helixtrans-65.7-37.9-178.200000112L100 E101 E102 L108L100-A104 WeakPolarHBondContact O-CB 3.48Å; L100-A104 PolarHBondContact O-N 2.98Å; E101-A104 PolarHBondContact O-N 3.04Å; E102-A104 VanDerWaalsContact C-N 3.32Å; E102-A104 PolarHBondContact O-N 3.02Å; A104-L108 WeakPolarHBondContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CD1 3.49Å; A104-L108 VanDerWaalsContact O-CG 3.27Å; A104-L108 WeakPolarHBondContact O-CG 3.46Å; A104-L108 PolarHBondContact O-N 3.31Å; A104-L108 VanDerWaalsContact O-N 3.08Å
105Q96.5Very high95.7Very high147 Ų14775.5 Ų75.569%0.68738%0.382SS*.Hα-helixtrans-68.4-44.6178.9-173.1168.55.900112E101 E102 I103 L108 S109E101-Q105 WeakPolarHBondContact O-CB 3.06Å; E101-Q105 PolarHBondContact O-N 3.12Å; E102-Q105 PolarHBondContact O-N 3.29Å; I103-Q105 VanDerWaalsContact C-N 3.34Å; I103-Q105 PolarHBondContact O-N 3.02Å; Q105-L108 PolarHBondContact O-N 3.37Å; Q105-S109 PolarHBondContact O-N 3.31Å
106T96.3Very high95.7Very high22 Ų2276 Ų7614%0.13538%0.384CS..Hα-helixtrans-63.5-43.9174.1-53.40000111.2C76 F79 E80 E102 L108 S109 E110C76-T106 HydrophobicContact CB-CG2 3.88Å; F79-T106 HydrophobicContact CD2-CG2 4.35Å; E80-T106 HydrophobicContact CG-CG2 4.47Å; E102-T106 PolarHBondContact O-N 2.96Å; E102-T106 PolarHBondContact O-OG1 3.27Å; T106-L108 PolarHBondContact O-N 3.22Å; T106-S109 PolarHBondContact O-N 3.43Å; T106-S109 VanDerWaalsContact O-N 3.12Å; T106-S109 PolarHBondContact O-OG 2.78Å; T106-E110 HydrophobicContact CG2-CG 4.17Å; T106-E110 WeakPolarHBondContact O-CG 3.38Å; T106-E110 PolarHBondContact O-N 2.97Å
107A95.7Very high95.7Very high2 Ų276.4 Ų76.42%0.01739%0.387CS..Hα-helixtrans-61.9-29.6178.600000113I103 N111 C112 V113 I116I103-A107 VanDerWaalsContact O-CB 3.28Å; I103-A107 WeakPolarHBondContact O-CB 3.35Å; I103-A107 PolarHBondContact O-N 2.75Å; A107-N111 PolarHBondContact O-N 3.49Å; A107-C112 PolarHBondContact O-N 3.48Å; A107-V113 HydrophobicContact CB-CG2 4.05Å; A107-V113 WeakPolarHBondContact O-CG2 3.28Å; A107-V113 PolarHBondContact O-N 2.83Å; A107-I116 HydrophobicContact CB-CD1 3.48Å; A107-I116 VanDerWaalsContact CB-CD1 3.48Å
108L95.9Very high95.7Very high124 Ų12470.6 Ų70.665%0.64937%0.367SS*.Hα-helixtrans-76.4-38.6173.4-77.3164.9000112.9A104 Q105 T106 N111 V113A104-L108 WeakPolarHBondContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CD1 3.49Å; A104-L108 VanDerWaalsContact O-CG 3.27Å; A104-L108 WeakPolarHBondContact O-CG 3.46Å; A104-L108 PolarHBondContact O-N 3.31Å; A104-L108 VanDerWaalsContact O-N 3.08Å; Q105-L108 PolarHBondContact O-N 3.37Å; T106-L108 PolarHBondContact O-N 3.22Å; L108-N111 PolarHBondContact O-N 3.46Å; L108-V113 HydrophobicContact CD2-CG2 3.76Å; L108-V113 HydrophobicContact CG-CG2 3.91Å
109S95.4Very high95.6Very high79 Ų7966.9 Ų66.955%0.55235%0.353SS*.Hα-helixtrans-67.6-42.4177.365.50000111.8Q105 T106 N111Q105-S109 PolarHBondContact O-N 3.31Å; T106-S109 PolarHBondContact O-N 3.43Å; T106-S109 VanDerWaalsContact O-N 3.12Å; T106-S109 PolarHBondContact O-OG 2.78Å; S109-N111 VanDerWaalsContact C-N 3.25Å; S109-N111 PolarHBondContact O-N 2.88Å
110E94.7Very high95.4Very high87 Ų8768.5 Ų68.541%0.40736%0.362SS..THydrogen-bonded Turntrans-852.4-179.6-50.6-42.2113.800112.9E80 T106 C112E80-E110 HydrophobicContact CB-CG 4.47Å; E80-E110 HydrophobicContact CG-CG 3.97Å; T106-E110 HydrophobicContact CG2-CG 4.17Å; T106-E110 WeakPolarHBondContact O-CG 3.38Å; T106-E110 PolarHBondContact O-N 2.97Å; E110-C112 PolarHBondContact O-N 2.68Å; E110-C112 VanDerWaalsContact O-N 3.09Å
111N93.2Very high95.3Very high124 Ų12467.6 Ų67.666%0.66336%0.357SS*.THydrogen-bonded Turntrans55.623.5179.7-167.632.5000114.4A107 L108 S109 H114A107-N111 PolarHBondContact O-N 3.49Å; L108-N111 PolarHBondContact O-N 3.46Å; S109-N111 VanDerWaalsContact C-N 3.25Å; S109-N111 PolarHBondContact O-N 2.88Å; N111-H114 PolarHBondContact O-CE1 3.15Å; N111-H114 PolarHBondContact O-ND1 2.94Å; N111-H114 VanDerWaalsContact O-ND1 3.09Å
112C93.6Very high95.2Very high4 Ų464.4 Ų64.43%0.02734%0.342CS..  trans-96.17.2-176.678.20000113.6A107 E110 H114 Q115A107-C112 PolarHBondContact O-N 3.48Å; E110-C112 PolarHBondContact O-N 2.68Å; E110-C112 VanDerWaalsContact O-N 3.09Å; C112-H114 PolarHBondContact O-N 3.12Å; C112-Q115 WeakPolarHBondContact O-CA 3.14Å; C112-Q115 VanDerWaalsContact O-CB 3.32Å; C112-Q115 WeakPolarHBondContact O-CB 3.23Å; C112-Q115 PolarHBondContact O-N 3.28Å
113V94.1Very high95.1Very high72 Ų7263.3 Ų63.344%0.43634%0.336SS..G310 helixtrans-47.8-38.6179.6-174.30000112.7A107 L108 Q115 I116A107-V113 HydrophobicContact CB-CG2 4.05Å; A107-V113 WeakPolarHBondContact O-CG2 3.28Å; A107-V113 PolarHBondContact O-N 2.83Å; L108-V113 HydrophobicContact CD2-CG2 3.76Å; L108-V113 HydrophobicContact CG-CG2 3.91Å; V113-Q115 PolarHBondContact O-N 3.48Å; V113-I116 PolarHBondContact O-N 3.15Å
114H94.4Very high95Very high143 Ų14364.4 Ų64.466%0.66234%0.343SS*.G310 helixtrans-67.5-18.2179.766-85.4000114.3N111 C112N111-H114 PolarHBondContact O-CE1 3.15Å; N111-H114 PolarHBondContact O-ND1 2.94Å; N111-H114 VanDerWaalsContact O-ND1 3.09Å; C112-H114 PolarHBondContact O-N 3.12Å
115Q95.3Very high94.9Very high48 Ų4862.9 Ų62.922%0.22433%0.328CS..G310 helixtrans-86.7-21.9176.8-57.6174.7-1.800111.6D85 S86 Y87 C112 V113 S117D85-Q115 WeakPolarHBondContact O-CB 3.49Å; D85-Q115 WeakPolarHBondContact O-CG 3.32Å; S86-Q115 CarbonylContact C-O 3.55Å; S86-Q115 VanDerWaalsContact CA-O 3.24Å; S86-Q115 WeakPolarHBondContact CA-O 3.39Å; S86-Q115 WeakPolarHBondContact CB-O 3.44Å; Y87-Q115 HydrophobicContact CD2-CB 3.81Å; Y87-Q115 HydrophobicContact CE2-CB 3.91Å; Y87-Q115 PolarHBondContact N-O 3.29Å; C112-Q115 WeakPolarHBondContact O-CA 3.14Å; C112-Q115 VanDerWaalsContact O-CB 3.32Å; C112-Q115 WeakPolarHBondContact O-CB 3.23Å; C112-Q115 PolarHBondContact O-N 3.28Å; V113-Q115 PolarHBondContact O-N 3.48Å; Q115-S117 PolarHBondContact O-N 3.11Å
116I96.3Very high94.9Very high34 Ų3457.1 Ų57.117%0.17430%0.301CS..EExtended strand (participates in β ladder)trans-77.791.4177-55.5-177.8000108.9F79 L89 I103 A107 V113 V119F79-I116 HydrophobicContact CE1-CD1 4.16Å; F79-I116 HydrophobicContact CE1-CG1 4.27Å; F79-I116 HydrophobicContact CE2-CD1 3.93Å; F79-I116 HydrophobicContact CZ-CD1 3.66Å; F79-I116 HydrophobicContact CZ-CG1 4.22Å; L89-I116 HydrophobicContact CD1-CG2 4.32Å; I103-I116 HydrophobicContact CG2-CD1 4.37Å; A107-I116 HydrophobicContact CB-CD1 3.48Å; A107-I116 VanDerWaalsContact CB-CD1 3.48Å; V113-I116 PolarHBondContact O-N 3.15Å; I116-V119 HydrophobicContact CG2-CG2 3.96Å
117S94.7Very high94.9Very high54 Ų5456.2 Ų56.238%0.37830%0.295SS..EExtended strand (participates in β ladder)trans-73.2-41.2-172.1-72.30000113.1Y87 Y88 Q115Y87-S117 PolarHBondContact O-N 2.82Å; Y88-S117 VanDerWaalsContact CZ-CB 3.41Å; Q115-S117 PolarHBondContact O-N 3.11Å
118K94.8Very high94.8Very high67 Ų6757.4 Ų57.429%0.29130%0.303SS..EExtended strand (participates in β ladder)trans-153146.8-175.9-69.4-175179.2171.50111.5L4 N5 Y88 L89 F120L4-K118 WeakPolarHBondContact O-CD 3.47Å; L4-K118 PolarHBondContact O-NZ 2.85Å; N5-K118 VanDerWaalsContact C-NZ 3.33Å; N5-K118 HydrophobicContact CB-CD 3.71Å; N5-K118 PolarHBondContact O-NZ 3.31Å; Y88-K118 HydrophobicContact CD1-CB 3.94Å; Y88-K118 HydrophobicContact CD1-CD 4.1Å; Y88-K118 HydrophobicContact CD1-CG 4.14Å; Y88-K118 HydrophobicContact CE1-CB 4.4Å; Y88-K118 HydrophobicContact CE1-CD 4.02Å; Y88-K118 HydrophobicContact CE1-CG 4.11Å; L89-K118 PolarHBondContact N-O 3.37Å; K118-F120 HydrophobicContact CB-CD2 4.01Å; K118-F120 HydrophobicContact CB-CE2 3.95Å; K118-F120 HydrophobicContact CD-CE2 3.86Å; K118-F120 HydrophobicContact CG-CE2 4.18Å
119V96.2Very high94.7Very high59 Ų5952 Ų5236%0.35828%0.275SS..EExtended strand (participates in β ladder)trans-129126.9171-172.60000108.4L89 F91 L100 I116L89-V119 HydrophobicContact CB-CG1 4.35Å; L89-V119 HydrophobicContact CB-CG2 4.34Å; L89-V119 HydrophobicContact CD1-CG2 4.18Å; L89-V119 CarbonylContact O-C 3.55Å; L89-V119 WeakPolarHBondContact O-CA 3.34Å; F91-V119 HydrophobicContact CD2-CG1 4.23Å; F91-V119 HydrophobicContact CE2-CG1 3.79Å; L100-V119 HydrophobicContact CD1-CG1 4.31Å; I116-V119 HydrophobicContact CG2-CG2 3.96Å
120F94.2Very high94.6Very high86 Ų8649 Ų4938%0.37725%0.252SS..EExtended strand (participates in β ladder)trans-140.3133.2-175.2-86.6-102.2000112.2N5 L89 N90 F91 K118N5-F120 HydrophobicContact CB-CD2 4.15Å; N5-F120 HydrophobicContact CB-CE2 3.93Å; N5-F120 HydrophobicContact CB-CZ 4.17Å; N5-F120 WeakPolarHBondContact ND2-CG 3.19Å; L89-F120 PolarHBondContact O-N 2.73Å; N90-F120 CarbonylContact C-O 3.56Å; N90-F120 WeakPolarHBondContact CA-O 3.33Å; F91-F120 PolarHBondContact N-O 3.12Å; K118-F120 HydrophobicContact CB-CD2 4.01Å; K118-F120 HydrophobicContact CB-CE2 3.95Å; K118-F120 HydrophobicContact CD-CE2 3.86Å; K118-F120 HydrophobicContact CG-CE2 4.18Å
121D94.4Very high94.4Very high56 Ų5652.3 Ų52.330%0.29927%0.272SS..EExtended strand (participates in β ladder)trans-83.3121.7159.7-53.1-45.2000108.6P94 I95 Y123P94-D121 WeakPolarHBondContact CA-OD1 3.36Å; I95-D121 PolarHBondContact N-OD1 3.2Å; D121-Y123 HydrophobicContact CB-CD2 4.12Å; D121-Y123 HydrophobicContact CB-CE2 3.6Å
122Q94.4Very high94.4Very high33 Ų3347.6 Ų47.615%0.15425%0.247CC..  trans-88.1-25.8-176.7-67.8-61.7-3100113.6N5 F64 N90 F91 T124N5-Q122 PolarHBondContact ND2-NE2 3.33Å; F64-Q122 HydrophobicContact CE2-CB 4.43Å; F64-Q122 HydrophobicContact CE2-CG 4.33Å; N90-Q122 HydrophobicContact CB-CG 3.87Å; N90-Q122 PolarHBondContact OD1-NE2 3.49Å; F91-Q122 PolarHBondContact O-N 3.36Å; Q122-T124 HydrophobicContact CB-CG2 3.96Å
123Y94.4Very high94.5Very high35 Ų3547.4 Ų47.414%0.13725%0.246CC..  trans57.646.2-173.8-62-95000112.5I92 P94 D121 F171 S172 A175 T176 L213I92-Y123 PolarHBondContact O-N 2.93Å; P94-Y123 HydrophobicContact CG-CD1 4.04Å; P94-Y123 HydrophobicContact CG-CE1 3.35Å; P94-Y123 HydrophobicContact CG-CE2 4.43Å; D121-Y123 HydrophobicContact CB-CD2 4.12Å; D121-Y123 HydrophobicContact CB-CE2 3.6Å; Y123-F171 HydrophobicContact CD1-CD1 4.11Å; Y123-F171 AromaticContact CD1-CE1 3.89Å; Y123-F171 HydrophobicContact CD1-CE1 3.89Å; Y123-F171 HydrophobicContact CE1-CD1 4.28Å; Y123-F171 AromaticContact CE1-CE1 3.71Å; Y123-F171 HydrophobicContact CE1-CE1 3.71Å; Y123-S172 CarbonylContact O-C 3.18Å; Y123-S172 WeakPolarHBondContact O-CA 3.47Å; Y123-S172 VanDerWaalsContact O-CB 3.25Å; Y123-S172 WeakPolarHBondContact O-CB 3.07Å; Y123-A175 HydrophobicContact CD1-CB 3.89Å; Y123-A175 HydrophobicContact CG-CB 3.96Å; Y123-T176 PolarHBondContact O-OG1 2.86Å; Y123-L213 HydrophobicContact CD1-CD1 4.32Å; Y123-L213 HydrophobicContact CD2-CD2 3.97Å; Y123-L213 HydrophobicContact CE1-CD1 3.78Å; Y123-L213 HydrophobicContact CE2-CD1 4.06Å; Y123-L213 HydrophobicContact CE2-CD2 3.88Å
124T94.8Very high94.7Very high28 Ų2844.7 Ų44.717%0.17223%0.229CC..  trans-117.735.5-176.757.30000112I28 F64 I92 Q122 F126I28-T124 VanDerWaalsContact CD1-O 3.23Å; I28-T124 WeakPolarHBondContact CD1-O 3.28Å; F64-T124 WeakPolarHBondContact CE2-OG1 3.39Å; F64-T124 WeakPolarHBondContact CZ-OG1 3.27Å; I92-T124 PolarHBondContact O-N 2.89Å; Q122-T124 HydrophobicContact CB-CG2 3.96Å; T124-F126 PolarHBondContact O-N 2.88Å
125N94.4Very high94.7Very high16 Ų1638.4 Ų38.49%0.08620%0.201CC..  trans-77.451.6179.9-164.220.9000113I92 S93 G169I92-N125 HydrophobicContact CG2-CB 4.15Å; S93-N125 WeakPolarHBondContact OG-CB 3.34Å; S93-N125 PolarHBondContact OG-ND2 3.26Å; N125-G169 VanDerWaalsContact O-CA 3.29Å; N125-G169 WeakPolarHBondContact O-CA 3.25Å
126F95.8Very high94.7Very high26 Ų2636.6 Ų36.611%0.11419%0.192CC..SBendtrans-159.5155.4179.361.8-86.6000109.1T124 L134 L136 I173 T176T124-F126 PolarHBondContact O-N 2.88Å; F126-L134 HydrophobicContact CD2-CD2 4.17Å; F126-L134 HydrophobicContact CE2-CD2 4.37Å; F126-L136 HydrophobicContact CB-CD2 3.83Å; F126-I173 HydrophobicContact CB-CD1 4.15Å; F126-I173 HydrophobicContact CB-CG1 3.87Å; F126-I173 HydrophobicContact CD1-CB 4.38Å; F126-I173 HydrophobicContact CD1-CG1 3.5Å; F126-I173 HydrophobicContact CD2-CG1 3.82Å; F126-I173 HydrophobicContact CE1-CB 4.4Å; F126-I173 HydrophobicContact CE1-CG1 3.93Å; F126-I173 HydrophobicContact CE2-CG1 4.21Å; F126-I173 HydrophobicContact CG-CD1 4.23Å; F126-I173 HydrophobicContact CG-CG1 3.44Å; F126-I173 VanDerWaalsContact CG-CG1 3.44Å; F126-I173 HydrophobicContact CZ-CG1 4.26Å; F126-T176 HydrophobicContact CZ-CG2 4.19Å
127I95.8Very high93.9Very high4 Ų436.5 Ų36.52%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-110.8129.7179.6-57.8173.5000107.8D27 I28 P31 L129 L134 T135 L295D27-I127 HydrophobicContact CB-CD1 4.07Å; I28-I127 HydrophobicContact CG1-CG1 3.94Å; P31-I127 HydrophobicContact CG-CG2 3.89Å; I127-L129 HydrophobicContact CG2-CD2 3.91Å; I127-L129 HydrophobicContact CG2-CG 4.44Å; I127-L134 WeakPolarHBondContact O-CA 3.19Å; I127-T135 HydrophobicContact CB-CG2 3.86Å; I127-T135 HydrophobicContact CG2-CG2 4.26Å; I127-T135 PolarHBondContact N-O 2.92Å; I127-T135 PolarHBondContact O-N 3.46Å; I127-L295 HydrophobicContact CD1-CD2 3.8Å; I127-L295 HydrophobicContact CG2-CD2 4.02Å
128C94.9Very high92.6Very high26 Ų2636 Ų3618%0.17619%0.191CC..EExtended strand (participates in β ladder)trans-102119.7174.7-178.50000108.3P31 L32 E130 L134P31-C128 WeakPolarHBondContact CB-O 3.46Å; L32-C128 HydrophobicContact CD2-CB 4.11Å; C128-E130 PolarHBondContact SG-O 3.42Å; C128-L134 HydrophobicContact CB-CD2 3.73Å
129L93.8Very high91Very high11 Ų1137 Ų376%0.05821%0.205CC..EExtended strand (participates in β ladder)trans-100.2-35.5-177-62.5176000111.6P31 I127 L133 T135 L295 N296 L724P31-L129 HydrophobicContact CB-CD2 4.29Å; P31-L129 HydrophobicContact CG-CD2 4.11Å; I127-L129 HydrophobicContact CG2-CD2 3.91Å; I127-L129 HydrophobicContact CG2-CG 4.44Å; L129-L133 HydrophobicContact CB-CD2 3.99Å; L129-L133 HydrophobicContact CB-CG 4.09Å; L129-L133 HydrophobicContact CD1-CD2 4.17Å; L129-L133 HydrophobicContact CD1-CG 4.36Å; L129-L133 PolarHBondContact N-O 3.48Å; L129-T135 HydrophobicContact CD1-CG2 3.95Å; L129-T135 HydrophobicContact CG-CG2 4.24Å; L129-L295 HydrophobicContact CD2-CD2 4.45Å; L129-N296 PolarHBondContact O-ND2 2.87Å; L129-L724 HydrophobicContact CD1-CD2 3.87Å
130E91.6Very high89.2Confident17 Ų1739.2 Ų39.28%0.07922%0.218CC..EExtended strand (participates in β ladder)trans-141.5163.3170.8-57.9-75.3-179.300107.1C128 D132 L133 W341 R345C128-E130 PolarHBondContact SG-O 3.42Å; E130-D132 PolarHBondContact O-N 3Å; E130-L133 HydrophobicContact CB-CB 3.85Å; E130-L133 HydrophobicContact CG-CB 4.3Å; E130-L133 HydrophobicContact CG-CD2 4.37Å; E130-L133 PolarHBondContact N-O 3.39Å; E130-L133 PolarHBondContact O-N 3.37Å; E130-W341 PolarHBondContact OE1-NE1 3.24Å; E130-R345 WeakPolarHBondContact OE1-CD 3.31Å; E130-R345 IonicContact OE1-CZ 3.19Å; E130-R345 IonicContact OE1-NE 2.91Å; E130-R345 IonicContact OE1-NH1 2.72Å; E130-R345 IonicContact OE2-CZ 3.85Å; E130-R345 IonicContact OE2-NE 3.48Å; E130-R345 IonicContact OE2-NH1 2.68Å; E130-R345 PolarHBondContact OE2-NH1 2.85Å; E130-R345 IonicContact OE2-NH2 3.47Å
131D90.5Very high87.6Confident156 Ų15642.7 Ų42.783%0.83424%0.241SC*.THydrogen-bonded Turntrans-51.3-26.7-177.8-63-32.6000114.2
132D94.5Very high86.3Confident24 Ų2441.4 Ų41.413%0.12824%0.241CC..THydrogen-bonded Turntrans-118.911.7-178.654.63000113.8E130 R345 Y660 L664 I717 T718 Y719E130-D132 PolarHBondContact O-N 3Å; D132-R345 IonicContact OD1-NH2 2.88Å; D132-Y660 HydrophobicContact CB-CE2 4.42Å; D132-Y660 VanDerWaalsContact OD1-CE2 3.31Å; D132-Y660 WeakPolarHBondContact OD1-CE2 3.4Å; D132-Y660 PolarHBondContact OD1-OH 3.44Å; D132-L664 WeakPolarHBondContact OD2-CD1 3.25Å; D132-L664 VanDerWaalsContact OD2-CD2 3.27Å; D132-L664 WeakPolarHBondContact OD2-CD2 3.36Å; D132-I717 WeakPolarHBondContact CB-O 3.21Å; D132-T718 CarbonylContact O-C 3.52Å; D132-T718 WeakPolarHBondContact O-CA 3.43Å; D132-Y719 PolarHBondContact O-N 3.44Å
133L96.1Very high85.3Confident0 Ų042.5 Ų42.50%025%0.251CS..EExtended strand (participates in β ladder)trans-129114.8-179.5179.659.7000112.9L129 E130 Y657 Y660 Y719L129-L133 HydrophobicContact CB-CD2 3.99Å; L129-L133 HydrophobicContact CB-CG 4.09Å; L129-L133 HydrophobicContact CD1-CD2 4.17Å; L129-L133 HydrophobicContact CD1-CG 4.36Å; L129-L133 PolarHBondContact N-O 3.48Å; E130-L133 HydrophobicContact CB-CB 3.85Å; E130-L133 HydrophobicContact CG-CB 4.3Å; E130-L133 HydrophobicContact CG-CD2 4.37Å; E130-L133 PolarHBondContact N-O 3.39Å; E130-L133 PolarHBondContact O-N 3.37Å; L133-Y657 HydrophobicContact CD2-CD1 4.05Å; L133-Y657 HydrophobicContact CD2-CE1 3.4Å; L133-Y657 VanDerWaalsContact CD2-CE1 3.4Å; L133-Y660 HydrophobicContact CB-CD2 4.28Å; L133-Y660 HydrophobicContact CB-CE2 3.87Å; L133-Y660 HydrophobicContact CD1-CD2 4.18Å; L133-Y660 HydrophobicContact CD1-CG 4.34Å; L133-Y719 HydrophobicContact CD1-CD1 3.61Å; L133-Y719 HydrophobicContact CD1-CE1 4.36Å
134L96.5Very high84.8Confident16 Ų1641.8 Ų41.88%0.08425%0.251CS..EExtended strand (participates in β ladder)trans-115.7145.6178.6-53.2178.4000111.5F126 I127 C128 I173 T718 Y719 G720 C721F126-L134 HydrophobicContact CD2-CD2 4.17Å; F126-L134 HydrophobicContact CE2-CD2 4.37Å; I127-L134 WeakPolarHBondContact O-CA 3.19Å; C128-L134 HydrophobicContact CB-CD2 3.73Å; L134-I173 HydrophobicContact CD1-CD1 3.71Å; L134-I173 HydrophobicContact CD1-CG1 4Å; L134-I173 HydrophobicContact CD1-CG2 3.89Å; L134-T718 HydrophobicContact CD1-CG2 3.77Å; L134-T718 HydrophobicContact CG-CG2 3.88Å; L134-Y719 PolarHBondContact N-O 2.92Å; L134-G720 VanDerWaalsContact O-CA 3.29Å; L134-G720 WeakPolarHBondContact O-CA 3.32Å; L134-C721 PolarHBondContact O-N 3.4Å
135T95.9Very high84.4Confident11 Ų1140.7 Ų40.77%0.06724%0.244CC..EExtended strand (participates in β ladder)trans-133.2150165.5-175.60000109.4I127 L129 C721I127-T135 HydrophobicContact CB-CG2 3.86Å; I127-T135 HydrophobicContact CG2-CG2 4.26Å; I127-T135 PolarHBondContact N-O 2.92Å; I127-T135 PolarHBondContact O-N 3.46Å; L129-T135 HydrophobicContact CD1-CG2 3.95Å; L129-T135 HydrophobicContact CG-CG2 4.24Å; T135-C721 CarbonylContact C-O 3.46Å; T135-C721 WeakPolarHBondContact CA-O 3.26Å
136L94.3Very high84.3Confident10 Ų1040.1 Ų40.15%0.05224%0.241CC..PPolyproline II helixtrans-80.3163.7163.2-53-172.8000109.6F126 V166 F650 C721F126-L136 HydrophobicContact CB-CD2 3.83Å; L136-V166 HydrophobicContact CD1-CB 4.25Å; L136-V166 HydrophobicContact CD1-CG1 4.35Å; L136-V166 HydrophobicContact CD1-CG2 4.16Å; L136-F650 HydrophobicContact CD1-CE2 4.15Å; L136-F650 HydrophobicContact CD1-CZ 3.66Å; L136-F650 HydrophobicContact CD2-CE2 4.38Å; L136-F650 HydrophobicContact CG-CE2 3.98Å; L136-F650 HydrophobicContact CG-CZ 3.86Å; L136-C721 PolarHBondContact N-O 2.94Å
137S79.6Confident84Confident32 Ų3240.8 Ų40.822%0.22424%0.243CC..PPolyproline II helixtrans-83.4117173.8-1780000109.1L24L24-S137 WeakPolarHBondContact CD1-OG 3.15Å
138S67.3Low83.6Confident42 Ų4241.3 Ų41.329%0.29425%0.248SC..PPolyproline II helixtrans-70.8137.7163.8-173.50000109T140S138-T140 PolarHBondContact O-N 3.28Å
139P61Low83.2Confident90 Ų9041.6 Ų41.658%0.58425%0.248SC*.PPolyproline II helixtrans-54.9133169.4-20.131.2000110D141 G142P139-D141 PolarHBondContact O-N 3.08Å; P139-D141 VanDerWaalsContact O-N 3.09Å; P139-G142 PolarHBondContact O-N 3.17Å
140T59.4Low82.9Confident105 Ų10544.1 Ų44.164%0.64426%0.261SS*.THydrogen-bonded Turntrans-56.7-31.9-172.944.70000114.1Q23 S138Q23-T140 HydrophobicContact CG-CG2 4.11Å; S138-T140 PolarHBondContact O-N 3.28Å
141D61Low82.7Confident158 Ų15846.1 Ų46.185%0.84527%0.268SS*.THydrogen-bonded Turntrans-1089.3179.2-53.9-73.5000112.4P139P139-D141 PolarHBondContact O-N 3.08Å; P139-D141 VanDerWaalsContact O-N 3.09Å
142G66.4Low82.2Confident29 Ų2942.4 Ų42.430%0.29926%0.259SS..SBendtrans-84.1155.9-175.900000113.7P139P139-G142 PolarHBondContact O-N 3.17Å
143P73Confident81.6Confident56 Ų5649 Ų4936%0.36429%0.286SS..PPolyproline II helixtrans-62.1138.4159.429-33000109.8Y147 A148P143-Y147 HydrophobicContact CB-CD1 3.56Å; P143-Y147 HydrophobicContact CB-CE1 4.07Å; P143-A148 HydrophobicContact CB-CB 4.1Å; P143-A148 HydrophobicContact CG-CB 3.89Å
144S83.7Confident80.8Confident20 Ų2050.3 Ų50.314%0.1430%0.298CS..PPolyproline II helixtrans-58.8154.7166.941.10000111.5F146 Y147 A148 D723 E733S144-F146 VanDerWaalsContact C-N 3.32Å; S144-F146 PolarHBondContact O-N 3.2Å; S144-Y147 PolarHBondContact O-N 2.82Å; S144-A148 WeakPolarHBondContact O-CB 3.48Å; S144-A148 PolarHBondContact O-N 2.89Å; S144-D723 VanDerWaalsContact CB-OD2 3.24Å; S144-D723 WeakPolarHBondContact CB-OD2 3.47Å; S144-E733 WeakPolarHBondContact CB-OE1 3.4Å; S144-E733 WeakPolarHBondContact OG-CG 3.48Å; S144-E733 PolarHBondContact OG-OE1 2.66Å
145S87.8Confident80.2Confident6 Ų652.9 Ų52.94%0.04231%0.314CS..Hα-helixtrans-66-35.1-160.8-51.30000112.7A148 L149 S722 D723S145-A148 PolarHBondContact O-N 2.99Å; S145-L149 WeakPolarHBondContact O-CB 3.36Å; S145-L149 VanDerWaalsContact O-CG 3.26Å; S145-L149 WeakPolarHBondContact O-CG 3.46Å; S145-L149 PolarHBondContact O-N 3.4Å; S145-L149 VanDerWaalsContact O-N 3.07Å; S145-S722 WeakPolarHBondContact CB-OG 3.29Å; S145-S722 VanDerWaalsContact OG-CB 3.32Å; S145-S722 WeakPolarHBondContact OG-CB 3.35Å; S145-S722 PolarHBondContact OG-OG 3.08Å; S145-D723 WeakPolarHBondContact CB-OD1 3.33Å; S145-D723 PolarHBondContact N-OD2 3.34Å; S145-D723 PolarHBondContact OG-OD1 3.2Å
146F90.7Very high79.6Confident4 Ų459.3 Ų59.32%0.01834%0.344CS..Hα-helixtrans-66.6-48.1178.1-170.6-108.1000112S144 A148 L149 N150 R269 L273 Y546 G653 F730 E733 L734 L737S144-F146 VanDerWaalsContact C-N 3.32Å; S144-F146 PolarHBondContact O-N 3.2Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 3.14Å; F146-L149 PolarHBondContact O-N 3.46Å; F146-N150 WeakPolarHBondContact CE2-ND2 3.44Å; F146-N150 PolarHBondContact O-N 2.95Å; F146-N150 PolarHBondContact O-ND2 3Å; F146-R269 HydrophobicContact CD2-CB 3.72Å; F146-R269 HydrophobicContact CD2-CG 3.58Å; F146-R269 HydrophobicContact CE2-CB 4.02Å; F146-R269 HydrophobicContact CE2-CG 3.81Å; F146-R269 HydrophobicContact CG-CG 4.25Å; F146-L273 HydrophobicContact CE1-CD2 4.31Å; F146-L273 HydrophobicContact CE2-CD2 3.82Å; F146-L273 HydrophobicContact CZ-CD2 3.5Å; F146-L273 VanDerWaalsContact CZ-CD2 3.5Å; F146-Y546 HydrophobicContact CE1-CE1 4.12Å; F146-Y546 HydrophobicContact CZ-CE1 4.26Å; F146-G653 WeakPolarHBondContact CB-O 3.3Å; F146-F730 HydrophobicContact CB-CE2 4.39Å; F146-F730 AromaticContact CD1-CE2 3.81Å; F146-F730 HydrophobicContact CD1-CE2 3.81Å; F146-F730 HydrophobicContact CD1-CZ 4.44Å; F146-F730 HydrophobicContact CE1-CE2 4.25Å; F146-F730 HydrophobicContact CE1-CZ 4.44Å; F146-F730 HydrophobicContact CG-CE2 4Å; F146-E733 WeakPolarHBondContact CB-OE2 3.5Å; F146-L734 HydrophobicContact CE1-CD2 3.83Å; F146-L737 HydrophobicContact CD1-CD1 4.02Å; F146-L737 HydrophobicContact CE1-CD1 3.7Å
147Y89.8Confident79.3Confident39 Ų3963 Ų6315%0.15337%0.366CS..Hα-helixtrans-63-40.2175.9175.2-114.5000111.7P143 S144 L149 N150 R151 K736 L737 E740P143-Y147 HydrophobicContact CB-CD1 3.56Å; P143-Y147 HydrophobicContact CB-CE1 4.07Å; S144-Y147 PolarHBondContact O-N 2.82Å; Y147-L149 VanDerWaalsContact C-N 3.34Å; Y147-L149 PolarHBondContact O-N 2.73Å; Y147-N150 PolarHBondContact O-N 2.89Å; Y147-R151 HydrophobicContact CD2-CB 4.39Å; Y147-R151 HydrophobicContact CE2-CB 4Å; Y147-R151 VanDerWaalsContact O-CB 3.31Å; Y147-R151 WeakPolarHBondContact O-CB 3.15Å; Y147-R151 PolarHBondContact O-N 3.35Å; Y147-K736 HydrophobicContact CD1-CD 4.35Å; Y147-K736 HydrophobicContact CD2-CB 3.82Å; Y147-K736 HydrophobicContact CD2-CD 4.29Å; Y147-K736 HydrophobicContact CE1-CD 4.25Å; Y147-K736 HydrophobicContact CE2-CB 3.46Å; Y147-K736 VanDerWaalsContact CE2-CB 3.46Å; Y147-K736 HydrophobicContact CE2-CD 4.19Å; Y147-K736 HydrophobicContact CE2-CG 4.41Å; Y147-K736 HydrophobicContact CG-CD 4.38Å; Y147-L737 HydrophobicContact CD2-CD2 3.53Å; Y147-L737 HydrophobicContact CD2-CG 3.85Å; Y147-L737 HydrophobicContact CE2-CD2 3.95Å; Y147-L737 HydrophobicContact CE2-CG 4.45Å; Y147-E740 PolarHBondContact OH-OE1 3.16Å
148A87.1Confident79.5Confident15 Ų1564.1 Ų64.112%0.12437%0.37CS..Hα-helixtrans-59.9-40.1176.600000113.2P143 S144 S145 F146 L162P143-A148 HydrophobicContact CB-CB 4.1Å; P143-A148 HydrophobicContact CG-CB 3.89Å; S144-A148 WeakPolarHBondContact O-CB 3.48Å; S144-A148 PolarHBondContact O-N 2.89Å; S145-A148 PolarHBondContact O-N 2.99Å; F146-A148 VanDerWaalsContact C-N 3.33Å; F146-A148 PolarHBondContact O-N 3.14Å; A148-L162 HydrophobicContact CB-CD2 3.95Å
149L86.3Confident80.3Confident32 Ų3265.2 Ų65.217%0.16837%0.371CS..Hα-helixtrans-74.6-30.3179.2-72.5168.2000114.1S145 F146 Y147 L162 A190 V652S145-L149 WeakPolarHBondContact O-CB 3.36Å; S145-L149 VanDerWaalsContact O-CG 3.26Å; S145-L149 WeakPolarHBondContact O-CG 3.46Å; S145-L149 PolarHBondContact O-N 3.4Å; S145-L149 VanDerWaalsContact O-N 3.07Å; F146-L149 PolarHBondContact O-N 3.46Å; Y147-L149 VanDerWaalsContact C-N 3.34Å; Y147-L149 PolarHBondContact O-N 2.73Å; L149-L162 HydrophobicContact CD1-CD2 4.2Å; L149-L162 HydrophobicContact CD2-CD2 3.82Å; L149-L162 HydrophobicContact CG-CD2 3.61Å; L149-A190 HydrophobicContact CD1-CB 4.04Å; L149-A190 HydrophobicContact CD2-CB 4.07Å; L149-V652 HydrophobicContact CD1-CG1 3.99Å
150N87.4Confident81.6Confident65 Ų6564.9 Ų64.935%0.34836%0.362SS..Hα-helixtrans-110.6-6.9-168.8-64.4-86.1000114.5F146 Y147 L737F146-N150 WeakPolarHBondContact CE2-ND2 3.44Å; F146-N150 PolarHBondContact O-N 2.95Å; F146-N150 PolarHBondContact O-ND2 3Å; Y147-N150 PolarHBondContact O-N 2.89Å; N150-L737 VanDerWaalsContact C-CD2 3.46Å; N150-L737 HydrophobicContact CB-CD1 3.83Å; N150-L737 HydrophobicContact CB-CD2 3.9Å
151R87.6Confident83Confident58 Ų5864.6 Ų64.622%0.21936%0.356CS..  trans-61.9140.3177.665.4179-166175.74.1111.6Y147 K153 A154 D158 L737 E740Y147-R151 HydrophobicContact CD2-CB 4.39Å; Y147-R151 HydrophobicContact CE2-CB 4Å; Y147-R151 VanDerWaalsContact O-CB 3.31Å; Y147-R151 WeakPolarHBondContact O-CB 3.15Å; Y147-R151 PolarHBondContact O-N 3.35Å; R151-K153 PolarHBondContact O-N 2.77Å; R151-K153 VanDerWaalsContact O-N 3.07Å; R151-A154 HydrophobicContact CG-CB 3.83Å; R151-A154 VanDerWaalsContact O-CB 3.3Å; R151-A154 WeakPolarHBondContact O-CB 3.26Å; R151-A154 PolarHBondContact O-N 2.83Å; R151-D158 IonicContact CZ-OD2 3.26Å; R151-D158 IonicContact NH2-OD1 3.35Å; R151-D158 PolarHBondContact NH2-OD1 3.46Å; R151-D158 IonicContact NH2-OD2 3.93Å; R151-D158 PolarHBondContact NH2-OD2 2.79Å; R151-L737 HydrophobicContact CB-CD2 4.31Å; R151-E740 WeakPolarHBondContact CA-OE2 3.38Å; R151-E740 WeakPolarHBondContact CB-OE2 3.38Å
152A80.3Confident84.4Confident78 Ų7858.6 Ų58.665%0.64532%0.324SS*.THydrogen-bonded Turntrans-64.5-18.1-178.100000113.3E740A152-E740 HydrophobicContact CB-CB 4.21Å; A152-E740 PolarHBondContact N-OE2 2.75Å
153K81.6Confident85.6Confident162 Ų16257.3 Ų57.370%0.70431%0.31SS*.THydrogen-bonded Turntrans-99.413.7176.3-60.7178.7-175.3168.80113.7R151 T155R151-K153 PolarHBondContact O-N 2.77Å; R151-K153 VanDerWaalsContact O-N 3.07Å; K153-T155 PolarHBondContact O-N 3.07Å
154A79.6Confident86.6Confident28 Ų2858.8 Ų58.823%0.23131%0.312CS..  trans-64.3118.2175.900000109.4R151 M159R151-A154 HydrophobicContact CG-CB 3.83Å; R151-A154 VanDerWaalsContact O-CB 3.3Å; R151-A154 WeakPolarHBondContact O-CB 3.26Å; R151-A154 PolarHBondContact O-N 2.83Å; A154-M159 HydrophobicContact CB-CG 4.34Å
155T83.5Confident87Confident71 Ų7160.2 Ų60.244%0.43632%0.322SS..  trans-80.5155168.666.80000109.4K153 V157 D158 M159K153-T155 PolarHBondContact O-N 3.07Å; T155-V157 PolarHBondContact O-N 2.89Å; T155-D158 WeakPolarHBondContact CB-OD2 3.47Å; T155-D158 PolarHBondContact N-OD2 2.89Å; T155-D158 WeakPolarHBondContact O-CB 3.44Å; T155-D158 PolarHBondContact O-N 2.83Å; T155-D158 PolarHBondContact OG1-N 2.82Å; T155-D158 VanDerWaalsContact OG1-N 3.13Å; T155-D158 PolarHBondContact OG1-OD2 3.22Å; T155-M159 PolarHBondContact O-N 3.06Å
156E84.8Confident87.3Confident146 Ų14660 Ų6068%0.68232%0.321SS*.Hα-helixtrans-54.5-38.8173.6-168.2166.5-156.400111.1D158 M159 E160E156-D158 PolarHBondContact O-N 2.96Å; E156-M159 PolarHBondContact O-N 2.86Å; E156-E160 WeakPolarHBondContact O-CG 3.48Å; E156-E160 PolarHBondContact O-N 3.43Å
157V86.4Confident87.6Confident86 Ų8660 Ų6052%0.52132%0.321SS..Hα-helixtrans-63-39.9175.2-178.10000112.7T155 M159 E160 N161T155-V157 PolarHBondContact O-N 2.89Å; V157-M159 VanDerWaalsContact C-N 3.33Å; V157-E160 PolarHBondContact O-N 3.24Å; V157-N161 WeakPolarHBondContact O-CB 3.36Å; V157-N161 PolarHBondContact O-N 3.21Å; V157-N161 PolarHBondContact O-ND2 3.33Å
158D84.3Confident87.8Confident57 Ų5760.4 Ų60.431%0.30533%0.325SS..Hα-helixtrans-63.3-42.6175.6-61.5-55.4000111.2R151 T155 E156 L162R151-D158 IonicContact CZ-OD2 3.26Å; R151-D158 IonicContact NH2-OD1 3.35Å; R151-D158 PolarHBondContact NH2-OD1 3.46Å; R151-D158 IonicContact NH2-OD2 3.93Å; R151-D158 PolarHBondContact NH2-OD2 2.79Å; T155-D158 WeakPolarHBondContact CB-OD2 3.47Å; T155-D158 PolarHBondContact N-OD2 2.89Å; T155-D158 WeakPolarHBondContact O-CB 3.44Å; T155-D158 PolarHBondContact O-N 2.83Å; T155-D158 PolarHBondContact OG1-N 2.82Å; T155-D158 VanDerWaalsContact OG1-N 3.13Å; T155-D158 PolarHBondContact OG1-OD2 3.22Å; E156-D158 PolarHBondContact O-N 2.96Å; D158-L162 PolarHBondContact O-N 2.85Å; D158-L162 VanDerWaalsContact O-N 3.13Å
159M85.2Confident88.3Confident65 Ų6559.7 Ų59.732%0.3232%0.319SS..Hα-helixtrans-65.6-48.1177.7-65.2-172.6-69.800110.6A154 T155 E156 V157 N161 L162 I163A154-M159 HydrophobicContact CB-CG 4.34Å; T155-M159 PolarHBondContact O-N 3.06Å; E156-M159 PolarHBondContact O-N 2.86Å; V157-M159 VanDerWaalsContact C-N 3.33Å; M159-N161 VanDerWaalsContact C-N 3.34Å; M159-N161 PolarHBondContact O-N 3.49Å; M159-L162 PolarHBondContact O-N 2.86Å; M159-I163 WeakPolarHBondContact O-CG1 3.3Å; M159-I163 PolarHBondContact O-N 3.4Å
160E88.4Confident88.8Confident83 Ų8358.3 Ų58.339%0.38831%0.312SS..Hα-helixtrans-56.6-44.9175.8-74.9-175.5150.200112.2E156 V157 L162 I163 H164E156-E160 WeakPolarHBondContact O-CG 3.48Å; E156-E160 PolarHBondContact O-N 3.43Å; V157-E160 PolarHBondContact O-N 3.24Å; E160-L162 PolarHBondContact O-N 3.49Å; E160-I163 PolarHBondContact O-N 3.02Å; E160-H164 WeakPolarHBondContact O-CB 3.41Å; E160-H164 PolarHBondContact O-CD2 2.97Å; E160-H164 PolarHBondContact O-N 3.1Å
161N88.9Confident89.2Confident99 Ų9955.6 Ų55.653%0.52930%0.298SS..Hα-helixtrans-60.1-42.4177.3-75-32.6000112.4V157 M159 H164 S165V157-N161 WeakPolarHBondContact O-CB 3.36Å; V157-N161 PolarHBondContact O-N 3.21Å; V157-N161 PolarHBondContact O-ND2 3.33Å; M159-N161 VanDerWaalsContact C-N 3.34Å; M159-N161 PolarHBondContact O-N 3.49Å; N161-H164 PolarHBondContact O-N 2.94Å; N161-S165 PolarHBondContact O-N 2.91Å
162L89.3Confident89.6Confident32 Ų3253 Ų5317%0.16829%0.288CS..Hα-helixtrans-67.8-43.7176.9179.460000111.7A148 L149 D158 M159 E160 H164 S165 V166A148-L162 HydrophobicContact CB-CD2 3.95Å; L149-L162 HydrophobicContact CD1-CD2 4.2Å; L149-L162 HydrophobicContact CD2-CD2 3.82Å; L149-L162 HydrophobicContact CG-CD2 3.61Å; D158-L162 PolarHBondContact O-N 2.85Å; D158-L162 VanDerWaalsContact O-N 3.13Å; M159-L162 PolarHBondContact O-N 2.86Å; E160-L162 PolarHBondContact O-N 3.49Å; L162-H164 VanDerWaalsContact C-N 3.33Å; L162-H164 PolarHBondContact O-N 3Å; L162-S165 PolarHBondContact O-N 2.79Å; L162-V166 WeakPolarHBondContact O-CG2 3.42Å; L162-V166 PolarHBondContact O-N 3.09Å
163I92.8Very high90.3Very high1 Ų149.6 Ų49.61%0.00526%0.259CS..Hα-helixtrans-58.4-46.3174.4-65-68.8000110.3M159 E160 S165 V166 V167 A190 M193 V194M159-I163 WeakPolarHBondContact O-CG1 3.3Å; M159-I163 PolarHBondContact O-N 3.4Å; E160-I163 PolarHBondContact O-N 3.02Å; I163-S165 PolarHBondContact O-N 2.91Å; I163-V166 PolarHBondContact O-N 2.91Å; I163-V167 HydrophobicContact CG2-CG2 4.29Å; I163-V167 WeakPolarHBondContact O-CB 3.48Å; I163-V167 VanDerWaalsContact O-CG2 3.23Å; I163-V167 WeakPolarHBondContact O-CG2 3.45Å; I163-V167 PolarHBondContact O-N 3.33Å; I163-A190 HydrophobicContact CD1-CB 3.67Å; I163-M193 HydrophobicContact CD1-CB 3.9Å; I163-M193 HydrophobicContact CG1-CB 4.29Å; I163-M193 HydrophobicContact CG1-CE 4.27Å; I163-M193 HydrophobicContact CG2-CB 4.18Å; I163-V194 HydrophobicContact CD1-CG2 3.66Å; I163-V194 HydrophobicContact CG2-CG2 4.12Å
164H92.7Very high91Very high87 Ų8741.9 Ų41.940%0.40323%0.226SC..Hα-helixtrans-60.2-44.5176.5-83.3-58.7000112.3E160 N161 L162 V166 V167 D168 Q197E160-H164 WeakPolarHBondContact O-CB 3.41Å; E160-H164 PolarHBondContact O-CD2 2.97Å; E160-H164 PolarHBondContact O-N 3.1Å; N161-H164 PolarHBondContact O-N 2.94Å; L162-H164 VanDerWaalsContact C-N 3.33Å; L162-H164 PolarHBondContact O-N 3Å; H164-V166 VanDerWaalsContact C-N 3.33Å; H164-V166 PolarHBondContact O-N 3.09Å; H164-V167 PolarHBondContact O-N 3.33Å; H164-D168 WeakPolarHBondContact O-CB 3.25Å; H164-D168 PolarHBondContact O-N 2.99Å; H164-Q197 PolarHBondContact CE1-OE1 3.31Å; H164-Q197 PolarHBondContact ND1-OE1 3.35Å; H164-Q197 VanDerWaalsContact ND1-OE1 3.16Å
165S92.6Very high91.6Very high50 Ų5040.7 Ų40.735%0.3522%0.215SC..Hα-helixtrans-58.5-43.7175.2-170.40000112N161 L162 I163 D168 G169N161-S165 PolarHBondContact O-N 2.91Å; L162-S165 PolarHBondContact O-N 2.79Å; I163-S165 PolarHBondContact O-N 2.91Å; S165-D168 PolarHBondContact O-N 2.97Å; S165-G169 PolarHBondContact O-N 2.69Å
166V95.1Very high92Very high3 Ų339.9 Ų39.92%0.01821%0.211CC..Hα-helixtrans-65.4-42.9176.5175.30000112.1L136 L162 I163 H164 D168 G169 L170 V194 F650 V652L136-V166 HydrophobicContact CD1-CB 4.25Å; L136-V166 HydrophobicContact CD1-CG1 4.35Å; L136-V166 HydrophobicContact CD1-CG2 4.16Å; L162-V166 WeakPolarHBondContact O-CG2 3.42Å; L162-V166 PolarHBondContact O-N 3.09Å; I163-V166 PolarHBondContact O-N 2.91Å; H164-V166 VanDerWaalsContact C-N 3.33Å; H164-V166 PolarHBondContact O-N 3.09Å; V166-D168 VanDerWaalsContact C-N 3.32Å; V166-D168 PolarHBondContact O-N 2.81Å; V166-G169 PolarHBondContact O-N 2.86Å; V166-L170 HydrophobicContact CG1-CD1 3.93Å; V166-L170 HydrophobicContact CG1-CG 4.45Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 WeakPolarHBondContact O-CG 3.16Å; V166-L170 PolarHBondContact O-N 3.44Å; V166-V194 HydrophobicContact CB-CG2 4.12Å; V166-V194 HydrophobicContact CG1-CB 4.49Å; V166-V194 HydrophobicContact CG1-CG1 3.76Å; V166-V194 HydrophobicContact CG1-CG2 3.81Å; V166-F650 HydrophobicContact CG1-CD1 4.26Å; V166-F650 HydrophobicContact CG1-CE1 3.49Å; V166-F650 VanDerWaalsContact CG1-CE1 3.49Å; V166-F650 HydrophobicContact CG1-CZ 3.93Å; V166-V652 HydrophobicContact CG1-CG2 4.42Å
167V96.6Very high92.3Very high3 Ų335.9 Ų35.92%0.01819%0.194CC..Hα-helixtrans-63-39176.5170.20000111.3I163 H164 F171 V194 Q197 L198 K201I163-V167 HydrophobicContact CG2-CG2 4.29Å; I163-V167 WeakPolarHBondContact O-CB 3.48Å; I163-V167 VanDerWaalsContact O-CG2 3.23Å; I163-V167 WeakPolarHBondContact O-CG2 3.45Å; I163-V167 PolarHBondContact O-N 3.33Å; H164-V167 PolarHBondContact O-N 3.33Å; V167-F171 WeakPolarHBondContact O-CB 3.4Å; V167-F171 PolarHBondContact O-N 2.82Å; V167-V194 HydrophobicContact CG2-CB 4.37Å; V167-V194 HydrophobicContact CG2-CG1 3.98Å; V167-Q197 HydrophobicContact CG1-CB 4.35Å; V167-Q197 HydrophobicContact CG2-CB 3.74Å; V167-L198 HydrophobicContact CG1-CB 4.31Å; V167-L198 HydrophobicContact CG1-CD1 4.28Å; V167-L198 HydrophobicContact CG2-CB 4.47Å; V167-K201 HydrophobicContact CG1-CD 3.94Å
168D94.4Very high92.4Very high47 Ų4732.1 Ų32.125%0.25117%0.172SC..Hα-helixtrans-70-40.1178.9-79.66.4000112.4H164 S165 V166 S172 K201H164-D168 WeakPolarHBondContact O-CB 3.25Å; H164-D168 PolarHBondContact O-N 2.99Å; S165-D168 PolarHBondContact O-N 2.97Å; V166-D168 VanDerWaalsContact C-N 3.32Å; V166-D168 PolarHBondContact O-N 2.81Å; D168-S172 VanDerWaalsContact O-CB 3.31Å; D168-S172 WeakPolarHBondContact O-CB 3.39Å; D168-S172 PolarHBondContact O-N 3.03Å; D168-S172 PolarHBondContact O-OG 2.79Å; D168-K201 IonicContact OD1-NZ 3.01Å; D168-K201 PolarHBondContact OD1-NZ 2.95Å
169G95.7Very high92.6Very high0 Ų030.5 Ų30.50%017%0.165CC..Hα-helixtrans-64.9-49172.800000112.8N125 S165 V166 F171 S172 I173N125-G169 VanDerWaalsContact O-CA 3.29Å; N125-G169 WeakPolarHBondContact O-CA 3.25Å; S165-G169 PolarHBondContact O-N 2.69Å; V166-G169 PolarHBondContact O-N 2.86Å; G169-F171 PolarHBondContact O-N 2.99Å; G169-S172 WeakPolarHBondContact O-CB 3.49Å; G169-S172 PolarHBondContact O-N 2.75Å; G169-S172 VanDerWaalsContact O-N 3.14Å; G169-I173 WeakPolarHBondContact O-CG1 3.27Å; G169-I173 PolarHBondContact O-N 2.96Å
170L97.3Very high92.9Very high3 Ų327.5 Ų27.52%0.01615%0.15CC..Hα-helixtrans-61.1-43.5175.8-77.9172.5000112.4V166 S172 I173 F174 V194 L198 L264 I266 F650V166-L170 HydrophobicContact CG1-CD1 3.93Å; V166-L170 HydrophobicContact CG1-CG 4.45Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 WeakPolarHBondContact O-CG 3.16Å; V166-L170 PolarHBondContact O-N 3.44Å; L170-S172 VanDerWaalsContact C-N 3.27Å; L170-S172 PolarHBondContact O-N 3.06Å; L170-I173 HydrophobicContact CD2-CD1 4.39Å; L170-I173 PolarHBondContact O-N 2.89Å; L170-F174 VanDerWaalsContact O-CD2 3.3Å; L170-F174 WeakPolarHBondContact O-CD2 3.43Å; L170-F174 PolarHBondContact O-N 3.21Å; L170-V194 HydrophobicContact CD1-CG1 3.63Å; L170-L198 HydrophobicContact CB-CD1 4.24Å; L170-L198 HydrophobicContact CB-CD2 3.79Å; L170-L198 HydrophobicContact CD1-CD2 3.93Å; L170-L198 HydrophobicContact CG-CD2 4.45Å; L170-L264 HydrophobicContact CD2-CD1 4.16Å; L170-I266 HydrophobicContact CD1-CD1 4.06Å; L170-F650 HydrophobicContact CD1-CD1 4.21Å; L170-F650 HydrophobicContact CD1-CG 4.24Å; L170-F650 HydrophobicContact CD2-CB 4.06Å; L170-F650 HydrophobicContact CD2-CD1 4.49Å; L170-F650 HydrophobicContact CD2-CD2 3.54Å; L170-F650 HydrophobicContact CD2-CE2 4.11Å; L170-F650 HydrophobicContact CD2-CG 3.76Å; L170-F650 HydrophobicContact CG-CD2 4.21Å; L170-F650 HydrophobicContact CG-CE2 4.37Å; L170-F650 HydrophobicContact CG-CG 4.32Å
171F96.3Very high93.2Very high9 Ų923.5 Ų23.54%0.03913%0.132CC..Hα-helixtrans-60.9-39.5175-174.3-85.8000111.5Y123 V167 G169 F174 A175 L198 K201 F202 L213 F214Y123-F171 HydrophobicContact CD1-CD1 4.11Å; Y123-F171 AromaticContact CD1-CE1 3.89Å; Y123-F171 HydrophobicContact CD1-CE1 3.89Å; Y123-F171 HydrophobicContact CE1-CD1 4.28Å; Y123-F171 AromaticContact CE1-CE1 3.71Å; Y123-F171 HydrophobicContact CE1-CE1 3.71Å; V167-F171 WeakPolarHBondContact O-CB 3.4Å; V167-F171 PolarHBondContact O-N 2.82Å; G169-F171 PolarHBondContact O-N 2.99Å; F171-F174 PolarHBondContact O-N 2.7Å; F171-A175 HydrophobicContact CD1-CB 4.33Å; F171-A175 HydrophobicContact CE1-CB 4.15Å; F171-A175 WeakPolarHBondContact O-CB 3.29Å; F171-A175 PolarHBondContact O-N 2.74Å; F171-L198 HydrophobicContact CB-CD1 4Å; F171-L198 HydrophobicContact CD2-CD1 4.47Å; F171-K201 HydrophobicContact CB-CD 4.07Å; F171-K201 HydrophobicContact CD2-CB 4.31Å; F171-K201 HydrophobicContact CD2-CD 3.75Å; F171-K201 HydrophobicContact CD2-CG 3.74Å; F171-K201 HydrophobicContact CE2-CD 4.37Å; F171-K201 HydrophobicContact CE2-CG 3.94Å; F171-K201 HydrophobicContact CG-CD 3.88Å; F171-K201 HydrophobicContact CG-CG 4.35Å; F171-F202 AromaticContact CD2-CD1 3.86Å; F171-F202 HydrophobicContact CD2-CD1 3.86Å; F171-F202 AromaticContact CD2-CE1 3.85Å; F171-F202 HydrophobicContact CD2-CE1 3.85Å; F171-F202 AromaticContact CE2-CD1 3.79Å; F171-F202 HydrophobicContact CE2-CD1 3.79Å; F171-F202 HydrophobicContact CE2-CE1 4.11Å; F171-L213 HydrophobicContact CE1-CD1 4.21Å; F171-L213 HydrophobicContact CZ-CD1 4.36Å; F171-F214 HydrophobicContact CE2-CE2 4.06Å; F171-F214 HydrophobicContact CE2-CZ 4.1Å; F171-F214 AromaticContact CZ-CE2 3.84Å; F171-F214 HydrophobicContact CZ-CE2 3.84Å; F171-F214 AromaticContact CZ-CZ 3.99Å; F171-F214 HydrophobicContact CZ-CZ 3.99Å
172S95.4Very high93.4Very high3 Ų319.7 Ų19.72%0.02111%0.111CC..Hα-helixtrans-62.2-43.7177.3-65.80000112.5Y123 D168 G169 L170 F174 A175 T176Y123-S172 CarbonylContact O-C 3.18Å; Y123-S172 WeakPolarHBondContact O-CA 3.47Å; Y123-S172 VanDerWaalsContact O-CB 3.25Å; Y123-S172 WeakPolarHBondContact O-CB 3.07Å; D168-S172 VanDerWaalsContact O-CB 3.31Å; D168-S172 WeakPolarHBondContact O-CB 3.39Å; D168-S172 PolarHBondContact O-N 3.03Å; D168-S172 PolarHBondContact O-OG 2.79Å; G169-S172 WeakPolarHBondContact O-CB 3.49Å; G169-S172 PolarHBondContact O-N 2.75Å; G169-S172 VanDerWaalsContact O-N 3.14Å; L170-S172 VanDerWaalsContact C-N 3.27Å; L170-S172 PolarHBondContact O-N 3.06Å; S172-F174 PolarHBondContact O-N 3.17Å; S172-A175 PolarHBondContact O-N 3.36Å; S172-T176 WeakPolarHBondContact O-CB 3.23Å; S172-T176 PolarHBondContact O-N 3.31Å; S172-T176 PolarHBondContact O-OG1 2.82Å; S172-T176 VanDerWaalsContact O-OG1 3.09Å
173I95.7Very high93.7Very high6 Ų618.2 Ų18.23%0.03110%0.103CC..Hα-helixtrans-55.8-54.3175.1-67.2163.4000110.4F126 L134 G169 L170 A175 T176 L177 F648F126-I173 HydrophobicContact CB-CD1 4.15Å; F126-I173 HydrophobicContact CB-CG1 3.87Å; F126-I173 HydrophobicContact CD1-CB 4.38Å; F126-I173 HydrophobicContact CD1-CG1 3.5Å; F126-I173 HydrophobicContact CD2-CG1 3.82Å; F126-I173 HydrophobicContact CE1-CB 4.4Å; F126-I173 HydrophobicContact CE1-CG1 3.93Å; F126-I173 HydrophobicContact CE2-CG1 4.21Å; F126-I173 HydrophobicContact CG-CD1 4.23Å; F126-I173 HydrophobicContact CG-CG1 3.44Å; F126-I173 VanDerWaalsContact CG-CG1 3.44Å; F126-I173 HydrophobicContact CZ-CG1 4.26Å; L134-I173 HydrophobicContact CD1-CD1 3.71Å; L134-I173 HydrophobicContact CD1-CG1 4Å; L134-I173 HydrophobicContact CD1-CG2 3.89Å; G169-I173 WeakPolarHBondContact O-CG1 3.27Å; G169-I173 PolarHBondContact O-N 2.96Å; L170-I173 HydrophobicContact CD2-CD1 4.39Å; L170-I173 PolarHBondContact O-N 2.89Å; I173-A175 PolarHBondContact O-N 3.13Å; I173-T176 WeakPolarHBondContact O-CB 3.2Å; I173-T176 PolarHBondContact O-N 2.95Å; I173-L177 HydrophobicContact CG2-CD1 3.98Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 2.92Å; I173-F648 HydrophobicContact CG2-CD1 4.48Å; I173-F648 HydrophobicContact CG2-CE1 4.29Å
174F95.4Very high93.7Very high1 Ų118.7 Ų18.70%0.00411%0.105CC..Hα-helixtrans-70.2-33.4-177.4-75.3-68.4000113.4L170 F171 S172 T176 L177 G178 S179 P181 F202 F214 P262 L264 F648L170-F174 VanDerWaalsContact O-CD2 3.3Å; L170-F174 WeakPolarHBondContact O-CD2 3.43Å; L170-F174 PolarHBondContact O-N 3.21Å; F171-F174 PolarHBondContact O-N 2.7Å; S172-F174 PolarHBondContact O-N 3.17Å; F174-T176 VanDerWaalsContact C-N 3.33Å; F174-L177 HydrophobicContact CD1-CD1 4.18Å; F174-L177 HydrophobicContact CE1-CD1 4.33Å; F174-L177 PolarHBondContact O-N 2.9Å; F174-G178 PolarHBondContact O-N 3.27Å; F174-S179 WeakPolarHBondContact CB-O 3.41Å; F174-S179 PolarHBondContact O-N 3.33Å; F174-P181 HydrophobicContact CD1-CB 4.39Å; F174-P181 HydrophobicContact CD1-CG 4.02Å; F174-P181 HydrophobicContact CD2-CG 4.03Å; F174-P181 HydrophobicContact CE1-CB 3.8Å; F174-P181 HydrophobicContact CE1-CG 3.8Å; F174-P181 HydrophobicContact CE2-CB 4.47Å; F174-P181 HydrophobicContact CE2-CG 3.84Å; F174-P181 HydrophobicContact CG-CG 4.14Å; F174-P181 HydrophobicContact CZ-CB 3.86Å; F174-P181 HydrophobicContact CZ-CG 3.71Å; F174-F202 HydrophobicContact CB-CE1 3.85Å; F174-F202 HydrophobicContact CB-CZ 3.65Å; F174-F202 AromaticContact CD2-CZ 3.9Å; F174-F202 HydrophobicContact CD2-CZ 3.9Å; F174-F202 AromaticContact CG-CZ 3.94Å; F174-F202 HydrophobicContact CG-CZ 3.94Å; F174-F214 HydrophobicContact CB-CE1 4.48Å; F174-P262 HydrophobicContact CE1-CG 4.16Å; F174-L264 HydrophobicContact CE2-CB 4.39Å; F174-L264 HydrophobicContact CE2-CD1 4.04Å; F174-L264 HydrophobicContact CE2-CD2 3.84Å; F174-L264 HydrophobicContact CE2-CG 4.31Å; F174-L264 HydrophobicContact CZ-CB 4.18Å; F174-L264 HydrophobicContact CZ-CD1 4.23Å; F174-L264 HydrophobicContact CZ-CD2 4.46Å; F174-F648 AromaticContact CE1-CD2 3.91Å; F174-F648 HydrophobicContact CE1-CD2 3.91Å; F174-F648 HydrophobicContact CE1-CE2 4.12Å; F174-F648 HydrophobicContact CE1-CG 4.19Å; F174-F648 HydrophobicContact CZ-CB 4Å; F174-F648 HydrophobicContact CZ-CD1 4.2Å; F174-F648 AromaticContact CZ-CD2 3.86Å; F174-F648 HydrophobicContact CZ-CD2 3.86Å; F174-F648 HydrophobicContact CZ-CE2 4.47Å; F174-F648 AromaticContact CZ-CG 3.73Å; F174-F648 HydrophobicContact CZ-CG 3.73Å
175A93Very high93.8Very high2 Ų214.6 Ų14.62%0.0179%0.086CC..Hα-helixtrans-65-34.6171.800000112.5Y123 F171 S172 I173 L213 F214Y123-A175 HydrophobicContact CD1-CB 3.89Å; Y123-A175 HydrophobicContact CG-CB 3.96Å; F171-A175 HydrophobicContact CD1-CB 4.33Å; F171-A175 HydrophobicContact CE1-CB 4.15Å; F171-A175 WeakPolarHBondContact O-CB 3.29Å; F171-A175 PolarHBondContact O-N 2.74Å; S172-A175 PolarHBondContact O-N 3.36Å; I173-A175 PolarHBondContact O-N 3.13Å; A175-L213 HydrophobicContact CB-CD1 4.26Å; A175-L213 HydrophobicContact CB-CD2 4.42Å; A175-F214 HydrophobicContact CB-CE1 4.49Å; A175-F214 HydrophobicContact CB-CZ 4.16Å
176T91.4Very high93.6Very high55 Ų5512.7 Ų12.734%0.3377%0.072SC..Hα-helixtrans-68.3-42.5172.6-67.70000111.7Y123 F126 S172 I173 F174 G178Y123-T176 PolarHBondContact O-OG1 2.86Å; F126-T176 HydrophobicContact CZ-CG2 4.19Å; S172-T176 WeakPolarHBondContact O-CB 3.23Å; S172-T176 PolarHBondContact O-N 3.31Å; S172-T176 PolarHBondContact O-OG1 2.82Å; S172-T176 VanDerWaalsContact O-OG1 3.09Å; I173-T176 WeakPolarHBondContact O-CB 3.2Å; I173-T176 PolarHBondContact O-N 2.95Å; F174-T176 VanDerWaalsContact C-N 3.33Å; T176-G178 VanDerWaalsContact C-N 3.29Å; T176-G178 PolarHBondContact O-N 3.15Å
177L90.7Very high93.2Very high62 Ų6219.2 Ų19.233%0.32510%0.097SC..Hα-helixtrans-70.2-22.5176.9-66.2168.7000113.4I173 F174 S179 F648I173-L177 HydrophobicContact CG2-CD1 3.98Å; I173-L177 WeakPolarHBondContact O-CG 3.39Å; I173-L177 PolarHBondContact O-N 2.92Å; F174-L177 HydrophobicContact CD1-CD1 4.18Å; F174-L177 HydrophobicContact CE1-CD1 4.33Å; F174-L177 PolarHBondContact O-N 2.9Å; L177-S179 PolarHBondContact O-N 2.68Å; L177-F648 HydrophobicContact CD1-CE1 3.7Å; L177-F648 HydrophobicContact CD1-CE2 4.2Å; L177-F648 HydrophobicContact CD1-CZ 3.38Å
178G89.5Confident92.3Very high7 Ų720.5 Ų20.57%0.07211%0.111CC..THydrogen-bonded Turntrans71.914.3-173.500000113.9F174 T176F174-G178 PolarHBondContact O-N 3.27Å; T176-G178 VanDerWaalsContact C-N 3.29Å; T176-G178 PolarHBondContact O-N 3.15Å
179S88.9Confident91.7Very high22 Ų2222.9 Ų22.915%0.15412%0.124CC..  trans-114.3157.4-175.5730000111.4F174 L177 F214F174-S179 WeakPolarHBondContact CB-O 3.41Å; F174-S179 PolarHBondContact O-N 3.33Å; L177-S179 PolarHBondContact O-N 2.68Å; S179-F214 WeakPolarHBondContact O-CD1 3.41Å; S179-F214 WeakPolarHBondContact O-CE1 3.32Å
180I91.6Very high91.4Very high2 Ų223.4 Ų23.41%0.0113%0.128CC..  trans-123.4119174.2-61.2-179.1000108.4F202 L206 F214 R261 P627 K628I180-F202 HydrophobicContact CG1-CD1 4.36Å; I180-F202 HydrophobicContact CG2-CD1 4.4Å; I180-F202 HydrophobicContact CG2-CG 4.28Å; I180-L206 HydrophobicContact CD1-CD1 3.66Å; I180-L206 HydrophobicContact CD1-CD2 3.62Å; I180-L206 HydrophobicContact CD1-CG 3.66Å; I180-F214 HydrophobicContact CD1-CB 3.72Å; I180-F214 HydrophobicContact CD1-CD1 3.99Å; I180-F214 HydrophobicContact CD1-CD2 3.92Å; I180-F214 HydrophobicContact CD1-CG 3.6Å; I180-F214 HydrophobicContact CG1-CB 3.95Å; I180-F214 HydrophobicContact CG1-CD1 3.4Å; I180-F214 HydrophobicContact CG1-CD2 4.21Å; I180-F214 HydrophobicContact CG1-CE1 3.88Å; I180-F214 HydrophobicContact CG1-CG 3.58Å; I180-F214 HydrophobicContact CG1-CZ 4.47Å; I180-R261 PolarHBondContact O-NE 3.24Å; I180-P627 HydrophobicContact CG2-CB 3.91Å; I180-P627 HydrophobicContact CG2-CG 4Å; I180-K628 HydrophobicContact CG2-CG 4.38Å
181P94.3Very high91.2Very high0 Ų023.2 Ų23.20%013%0.127CC..PPolyproline II helixtrans-75170.4-174.533.1-36.7000112.1F174 I183 F202 R261 P262 L264F174-P181 HydrophobicContact CD1-CB 4.39Å; F174-P181 HydrophobicContact CD1-CG 4.02Å; F174-P181 HydrophobicContact CD2-CG 4.03Å; F174-P181 HydrophobicContact CE1-CB 3.8Å; F174-P181 HydrophobicContact CE1-CG 3.8Å; F174-P181 HydrophobicContact CE2-CB 4.47Å; F174-P181 HydrophobicContact CE2-CG 3.84Å; F174-P181 HydrophobicContact CG-CG 4.14Å; F174-P181 HydrophobicContact CZ-CB 3.86Å; F174-P181 HydrophobicContact CZ-CG 3.71Å; P181-I183 HydrophobicContact CG-CG1 4.3Å; P181-F202 HydrophobicContact CG-CE2 4.04Å; P181-F202 HydrophobicContact CG-CZ 4.31Å; P181-R261 PolarHBondContact O-NH2 2.79Å; P181-P262 CarbonylContact C-O 3.39Å; P181-P262 WeakPolarHBondContact CA-O 3.35Å; P181-P262 HydrophobicContact CB-CG 4.32Å; P181-P262 WeakPolarHBondContact CB-O 3.36Å; P181-L264 HydrophobicContact CB-CB 3.69Å; P181-L264 HydrophobicContact CG-CB 3.89Å; P181-L264 HydrophobicContact CG-CD2 4.23Å
182I92.7Very high91.1Very high19 Ų1924.9 Ų24.910%0.09714%0.135CC..EExtended strand (participates in β ladder)trans-93.6130.7154.4-71.9167.3000106.7P262 L263 L264 Y624 F644I182-P262 PolarHBondContact N-O 2.86Å; I182-L263 HydrophobicContact CG2-CD1 4.41Å; I182-L263 CarbonylContact O-C 3.52Å; I182-L264 PolarHBondContact O-N 2.74Å; I182-Y624 HydrophobicContact CG2-CD2 4.09Å; I182-Y624 HydrophobicContact CG2-CE2 3.43Å; I182-Y624 VanDerWaalsContact CG2-CE2 3.43Å; I182-F644 HydrophobicContact CB-CE1 4.43Å; I182-F644 HydrophobicContact CD1-CE1 4.02Å; I182-F644 HydrophobicContact CD1-CZ 4.21Å; I182-F644 HydrophobicContact CG2-CZ 4.33Å
183I95Very high91Very high0 Ų028.8 Ų28.80%015%0.154CC..EExtended strand (participates in β ladder)trans-102.3131.6-173.4-43.2175.2000110.1P181 A195 L198 D199 F202 L264 I266 F625 P627P181-I183 HydrophobicContact CG-CG1 4.3Å; I183-A195 HydrophobicContact CG2-CB 4.01Å; I183-L198 HydrophobicContact CD1-CB 4.47Å; I183-L198 HydrophobicContact CD1-CD2 4.16Å; I183-L198 HydrophobicContact CD1-CG 4.19Å; I183-D199 HydrophobicContact CD1-CB 4.4Å; I183-F202 HydrophobicContact CD1-CD2 4.4Å; I183-F202 HydrophobicContact CD1-CE2 4.39Å; I183-L264 CarbonylContact C-O 3.58Å; I183-L264 WeakPolarHBondContact CA-O 3.42Å; I183-L264 HydrophobicContact CG1-CB 4.47Å; I183-L264 HydrophobicContact CG1-CD2 4.23Å; I183-L264 HydrophobicContact CG2-CB 4.49Å; I183-L264 HydrophobicContact CG2-CD2 4.15Å; I183-L264 HydrophobicContact CG2-CG 4.31Å; I183-I266 HydrophobicContact CG2-CD1 3.89Å; I183-I266 HydrophobicContact CG2-CG1 4.09Å; I183-F625 HydrophobicContact CB-CB 4.15Å; I183-F625 HydrophobicContact CB-CD2 4.35Å; I183-F625 PolarHBondContact N-O 3.35Å; I183-F625 PolarHBondContact O-N 3.09Å; I183-P627 HydrophobicContact CD1-CG 4.38Å
184R93.7Very high91.1Very high12 Ų1228.5 Ų28.55%0.04515%0.152CC..EExtended strand (participates in β ladder)trans-121.5139.9167.1-58.3-60.8-64.2-91.64.9109.8L263 L264 I265 I266 L610 Y622 R623R184-L263 HydrophobicContact CG-CD1 3.65Å; R184-L264 PolarHBondContact N-O 3.16Å; R184-I265 CarbonylContact O-C 3.59Å; R184-I265 WeakPolarHBondContact O-CA 3.32Å; R184-I266 PolarHBondContact O-N 3.14Å; R184-L610 HydrophobicContact CB-CD1 4.37Å; R184-Y622 PolarHBondContact NE-O 3.32Å; R184-Y622 PolarHBondContact NH2-O 3.01Å; R184-R623 WeakPolarHBondContact CA-O 3.38Å; R184-R623 VanDerWaalsContact CD-O 3.29Å; R184-R623 WeakPolarHBondContact CD-O 3.47Å; R184-R623 PolarHBondContact NE-O 3.31Å
185C93.5Very high91.2Very high0 Ų028.4 Ų28.40%015%0.152CC..EExtended strand (participates in β ladder)trans-149.9161.6171.966.60000109.9A195 I266 Y622 R623C185-A195 HydrophobicContact CB-CB 4.13Å; C185-A195 VanDerWaalsContact SG-CB 3.56Å; C185-I266 WeakPolarHBondContact CA-O 3.49Å; C185-I266 HydrophobicContact CB-CB 4.16Å; C185-Y622 VanDerWaalsContact C-CD1 3.44Å; C185-Y622 CarbonylContact O-C 3.49Å; C185-Y622 WeakPolarHBondContact O-CA 3.5Å; C185-Y622 WeakPolarHBondContact O-CD1 3.25Å; C185-R623 PolarHBondContact O-N 3.34Å
186P89.9Confident91.3Very high10 Ų1029.9 Ų29.97%0.06516%0.162CC..  trans-52.5171.1162.2-21.429.6000113S191 I266 L271 Y622P186-S191 WeakPolarHBondContact CD-OG 3.43Å; P186-I266 WeakPolarHBondContact CD-O 3.46Å; P186-L271 HydrophobicContact CG-CD1 3.79Å; P186-Y622 HydrophobicContact CG-CE1 3.93Å
187R86Confident91.5Very high140 Ų14029.7 Ų29.753%0.52816%0.157SC..SBendtrans-91.6146.2162.7-77168.5-164.916611.1109.9E192 E620 D621 R623R187-E192 WeakPolarHBondContact CA-OE2 3.14Å; R187-E620 PolarHBondContact NH2-O 3.15Å; R187-D621 WeakPolarHBondContact CD-O 3.28Å; R187-D621 VanDerWaalsContact CG-O 3.27Å; R187-D621 WeakPolarHBondContact CG-O 3.49Å; R187-D621 IonicContact CZ-OD1 2.76Å; R187-D621 VanDerWaalsContact CZ-OD1 3.22Å; R187-D621 PolarHBondContact NE-O 2.98Å; R187-D621 VanDerWaalsContact NE-O 3.08Å; R187-D621 IonicContact NH1-OD1 2.89Å; R187-D621 PolarHBondContact NH1-OD1 2.7Å; R187-D621 IonicContact NH2-OD1 2.9Å; R187-R623 HydrophobicContact CG-CG 3.76Å
188G76.9Confident91.9Very high31 Ų3126.8 Ų26.832%0.3214%0.142SC..SBendtrans77.9-179.1-174.900000113.6E192G188-E192 PolarHBondContact N-OE2 2.56Å; G188-E192 WeakPolarHBondContact O-CB 3.12Å
189N82Confident92.2Very high97 Ų9726.4 Ų26.452%0.51914%0.138SC..Hα-helixtrans60-167.8173.1-47.9-36.9000115D268N189-D268 WeakPolarHBondContact CB-OD2 3.28Å
190A90.7Very high92.4Very high10 Ų1027.8 Ų27.88%0.08315%0.148CC..Hα-helixtrans-70.4-35.6-174.600000112.1L149 I163 E192 M193 V194 D268 V652L149-A190 HydrophobicContact CD1-CB 4.04Å; L149-A190 HydrophobicContact CD2-CB 4.07Å; I163-A190 HydrophobicContact CD1-CB 3.67Å; A190-E192 VanDerWaalsContact C-N 3.32Å; A190-E192 PolarHBondContact O-N 2.79Å; A190-M193 PolarHBondContact O-N 2.89Å; A190-M193 VanDerWaalsContact O-N 3.12Å; A190-V194 WeakPolarHBondContact O-CG2 3.42Å; A190-V194 PolarHBondContact O-N 2.92Å; A190-D268 WeakPolarHBondContact CB-OD1 3.29Å; A190-D268 PolarHBondContact N-OD1 2.99Å; A190-D268 VanDerWaalsContact N-OD1 3.15Å; A190-V652 HydrophobicContact CB-CG1 3.83Å
191S93.5Very high92.6Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-58.1-39.4178.666.10000113.4P186 A195 D268P186-S191 WeakPolarHBondContact CD-OG 3.43Å; S191-A195 VanDerWaalsContact O-CB 3.28Å; S191-A195 WeakPolarHBondContact O-CB 3.37Å; S191-A195 PolarHBondContact O-N 2.85Å; S191-D268 WeakPolarHBondContact CB-OD2 3.29Å; S191-D268 PolarHBondContact N-OD1 3.08Å; S191-D268 PolarHBondContact OG-OD2 3.48Å
192E93.4Very high92.6Very high43 Ų4330.7 Ų30.720%0.20116%0.16CC..Hα-helixtrans-68.7-39.6174.8-179.6169.3-172.300112.2R187 G188 A190 A195 C196 R623R187-E192 WeakPolarHBondContact CA-OE2 3.14Å; G188-E192 PolarHBondContact N-OE2 2.56Å; G188-E192 WeakPolarHBondContact O-CB 3.12Å; A190-E192 VanDerWaalsContact C-N 3.32Å; A190-E192 PolarHBondContact O-N 2.79Å; E192-A195 PolarHBondContact O-N 3.02Å; E192-C196 WeakPolarHBondContact O-CB 3.35Å; E192-C196 PolarHBondContact O-N 2.81Å; E192-C196 PolarHBondContact O-SG 3.01Å; E192-R623 WeakPolarHBondContact OE1-CD 3.33Å; E192-R623 IonicContact OE1-CZ 3.28Å; E192-R623 IonicContact OE1-NE 3.96Å; E192-R623 IonicContact OE1-NH1 2.84Å; E192-R623 PolarHBondContact OE1-NH1 2.88Å
193M94Very high92.5Very high85 Ų8531.8 Ų31.842%0.41916%0.163SC..Hα-helixtrans-62.6-47.9176.4-67176.970.500111.2I163 A190 C196 Q197I163-M193 HydrophobicContact CD1-CB 3.9Å; I163-M193 HydrophobicContact CG1-CB 4.29Å; I163-M193 HydrophobicContact CG1-CE 4.27Å; I163-M193 HydrophobicContact CG2-CB 4.18Å; A190-M193 PolarHBondContact O-N 2.89Å; A190-M193 VanDerWaalsContact O-N 3.12Å; M193-C196 PolarHBondContact O-N 3.07Å; M193-Q197 WeakPolarHBondContact O-CG 3.21Å; M193-Q197 PolarHBondContact O-N 2.87Å
194V96.9Very high92.3Very high0 Ų035.9 Ų35.90%019%0.185CC..Hα-helixtrans-57.4-50.1173.4175.40000110.3I163 V166 V167 L170 A190 C196 Q197 L198 I266 V652I163-V194 HydrophobicContact CD1-CG2 3.66Å; I163-V194 HydrophobicContact CG2-CG2 4.12Å; V166-V194 HydrophobicContact CB-CG2 4.12Å; V166-V194 HydrophobicContact CG1-CB 4.49Å; V166-V194 HydrophobicContact CG1-CG1 3.76Å; V166-V194 HydrophobicContact CG1-CG2 3.81Å; V167-V194 HydrophobicContact CG2-CB 4.37Å; V167-V194 HydrophobicContact CG2-CG1 3.98Å; L170-V194 HydrophobicContact CD1-CG1 3.63Å; A190-V194 WeakPolarHBondContact O-CG2 3.42Å; A190-V194 PolarHBondContact O-N 2.92Å; V194-C196 PolarHBondContact O-N 2.83Å; V194-Q197 PolarHBondContact O-N 2.89Å; V194-L198 WeakPolarHBondContact O-CB 3.32Å; V194-L198 PolarHBondContact O-N 2.81Å; V194-I266 HydrophobicContact CB-CD1 4.45Å; V194-I266 HydrophobicContact CG1-CD1 3.8Å; V194-I266 HydrophobicContact CG1-CG2 4.47Å; V194-V652 HydrophobicContact CG2-CG2 4.25Å
195A96.9Very high92.1Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-60.8-41.6-178.400000112.8I183 C185 S191 E192 D199 I266 F625I183-A195 HydrophobicContact CG2-CB 4.01Å; C185-A195 HydrophobicContact CB-CB 4.13Å; C185-A195 VanDerWaalsContact SG-CB 3.56Å; S191-A195 VanDerWaalsContact O-CB 3.28Å; S191-A195 WeakPolarHBondContact O-CB 3.37Å; S191-A195 PolarHBondContact O-N 2.85Å; E192-A195 PolarHBondContact O-N 3.02Å; A195-D199 VanDerWaalsContact O-CB 3.23Å; A195-D199 WeakPolarHBondContact O-CB 3.49Å; A195-D199 PolarHBondContact O-N 3.38Å; A195-I266 HydrophobicContact CB-CD1 4.12Å; A195-F625 HydrophobicContact CB-CD2 4.07Å; A195-F625 HydrophobicContact CB-CE2 3.67Å; A195-F625 HydrophobicContact CB-CZ 4.27Å
196C95.8Very high91.8Very high33 Ų3339.5 Ų39.522%0.22321%0.206CC..Hα-helixtrans-67.6-43.5178.8-70.90000112.7E192 M193 V194 S200 F625E192-C196 WeakPolarHBondContact O-CB 3.35Å; E192-C196 PolarHBondContact O-N 2.81Å; E192-C196 PolarHBondContact O-SG 3.01Å; M193-C196 PolarHBondContact O-N 3.07Å; V194-C196 PolarHBondContact O-N 2.83Å; C196-S200 PolarHBondContact O-N 3.37Å; C196-S200 PolarHBondContact O-OG 2.78Å; C196-F625 VanDerWaalsContact SG-CZ 3.53Å
197Q96.6Very high91.6Very high51 Ų5146.2 Ų46.224%0.23823%0.23CC..Hα-helixtrans-68.9-41.9177.6-72.2-166.11600111.5H164 V167 M193 V194 S200 K201H164-Q197 PolarHBondContact CE1-OE1 3.31Å; H164-Q197 PolarHBondContact ND1-OE1 3.35Å; H164-Q197 VanDerWaalsContact ND1-OE1 3.16Å; V167-Q197 HydrophobicContact CG1-CB 4.35Å; V167-Q197 HydrophobicContact CG2-CB 3.74Å; M193-Q197 WeakPolarHBondContact O-CG 3.21Å; M193-Q197 PolarHBondContact O-N 2.87Å; V194-Q197 PolarHBondContact O-N 2.89Å; Q197-S200 WeakPolarHBondContact O-CB 3.46Å; Q197-S200 PolarHBondContact O-N 2.9Å; Q197-K201 WeakPolarHBondContact O-CB 3.39Å; Q197-K201 PolarHBondContact O-N 3.21Å
198L97.3Very high91.5Very high0 Ų042.8 Ų42.80%022%0.222CC..Hα-helixtrans-66.2-42.2178.1-175.762.6000112.4V167 L170 F171 I183 V194 S200 K201 F202 L264 I266V167-L198 HydrophobicContact CG1-CB 4.31Å; V167-L198 HydrophobicContact CG1-CD1 4.28Å; V167-L198 HydrophobicContact CG2-CB 4.47Å; L170-L198 HydrophobicContact CB-CD1 4.24Å; L170-L198 HydrophobicContact CB-CD2 3.79Å; L170-L198 HydrophobicContact CD1-CD2 3.93Å; L170-L198 HydrophobicContact CG-CD2 4.45Å; F171-L198 HydrophobicContact CB-CD1 4Å; F171-L198 HydrophobicContact CD2-CD1 4.47Å; I183-L198 HydrophobicContact CD1-CB 4.47Å; I183-L198 HydrophobicContact CD1-CD2 4.16Å; I183-L198 HydrophobicContact CD1-CG 4.19Å; V194-L198 WeakPolarHBondContact O-CB 3.32Å; V194-L198 PolarHBondContact O-N 2.81Å; L198-S200 VanDerWaalsContact C-N 3.27Å; L198-S200 PolarHBondContact O-N 2.81Å; L198-K201 PolarHBondContact O-N 2.74Å; L198-F202 HydrophobicContact CD1-CD2 4.06Å; L198-F202 HydrophobicContact CD1-CE2 3.6Å; L198-F202 HydrophobicContact CD1-CZ 3.94Å; L198-F202 HydrophobicContact CD2-CE2 3.97Å; L198-F202 HydrophobicContact CG-CD2 3.88Å; L198-F202 HydrophobicContact CG-CE2 3.49Å; L198-F202 VanDerWaalsContact CG-CE2 3.49Å; L198-F202 HydrophobicContact CG-CZ 4.3Å; L198-F202 WeakPolarHBondContact O-CD2 3.31Å; L198-F202 PolarHBondContact O-N 3.42Å; L198-L264 HydrophobicContact CD2-CD2 3.56Å; L198-I266 HydrophobicContact CD2-CD1 4.41Å
199D95.7Very high91.1Very high0 Ų046.8 Ų46.80%025%0.245CC..Hα-helixtrans-56.2-42.6170.9175.264.8000111.3I183 A195 R203 F625 R632I183-D199 HydrophobicContact CD1-CB 4.4Å; A195-D199 VanDerWaalsContact O-CB 3.23Å; A195-D199 WeakPolarHBondContact O-CB 3.49Å; A195-D199 PolarHBondContact O-N 3.38Å; D199-R203 WeakPolarHBondContact O-CD 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.27Å; D199-R203 PolarHBondContact O-N 3.22Å; D199-R203 VanDerWaalsContact O-N 3.12Å; D199-R203 IonicContact OD1-CZ 3.52Å; D199-R203 VanDerWaalsContact OD1-CZ 3.23Å; D199-R203 IonicContact OD1-NE 3.73Å; D199-R203 PolarHBondContact OD1-NE 3.23Å; D199-R203 IonicContact OD1-NH2 3.33Å; D199-R203 PolarHBondContact OD1-NH2 2.76Å; D199-R203 IonicContact OD2-CZ 2.62Å; D199-R203 IonicContact OD2-NE 3.77Å; D199-R203 PolarHBondContact OD2-NE 2.87Å; D199-R203 IonicContact OD2-NH2 2.85Å; D199-R203 PolarHBondContact OD2-NH2 2.79Å; D199-F625 HydrophobicContact CB-CB 4.04Å; D199-F625 HydrophobicContact CB-CD1 3.97Å; D199-F625 HydrophobicContact CB-CG 4.22Å; D199-R632 IonicContact OD2-CZ 2.91Å; D199-R632 IonicContact OD2-NE 2.75Å; D199-R632 IonicContact OD2-NH2 3.66Å; D199-R632 PolarHBondContact OD2-NH2 3.09Å
200S95.1Very high90.7Very high50 Ų5052.6 Ų52.635%0.3526%0.26SS..Hα-helixtrans-66.1-47.9177.4-53.90000111.6C196 Q197 L198 F202 R203 D204C196-S200 PolarHBondContact O-N 3.37Å; C196-S200 PolarHBondContact O-OG 2.78Å; Q197-S200 WeakPolarHBondContact O-CB 3.46Å; Q197-S200 PolarHBondContact O-N 2.9Å; L198-S200 VanDerWaalsContact C-N 3.27Å; L198-S200 PolarHBondContact O-N 2.81Å; S200-F202 PolarHBondContact O-N 3.4Å; S200-R203 WeakPolarHBondContact O-CB 3.37Å; S200-R203 PolarHBondContact O-N 3.28Å; S200-R203 VanDerWaalsContact O-N 3.07Å; S200-D204 PolarHBondContact O-N 2.96Å
201K94.7Very high89.8Confident64 Ų6453.8 Ų53.828%0.27827%0.265SS..Hα-helixtrans-60.8-40.8179.4-165.3176.6-178.5-1770112.6V167 D168 F171 Q197 L198 S205V167-K201 HydrophobicContact CG1-CD 3.94Å; D168-K201 IonicContact OD1-NZ 3.01Å; D168-K201 PolarHBondContact OD1-NZ 2.95Å; F171-K201 HydrophobicContact CB-CD 4.07Å; F171-K201 HydrophobicContact CD2-CB 4.31Å; F171-K201 HydrophobicContact CD2-CD 3.75Å; F171-K201 HydrophobicContact CD2-CG 3.74Å; F171-K201 HydrophobicContact CE2-CD 4.37Å; F171-K201 HydrophobicContact CE2-CG 3.94Å; F171-K201 HydrophobicContact CG-CD 3.88Å; F171-K201 HydrophobicContact CG-CG 4.35Å; Q197-K201 WeakPolarHBondContact O-CB 3.39Å; Q197-K201 PolarHBondContact O-N 3.21Å; L198-K201 PolarHBondContact O-N 2.74Å; K201-S205 WeakPolarHBondContact O-CB 3.46Å; K201-S205 PolarHBondContact O-N 3.38Å
202F93.8Very high89Confident0 Ų057.3 Ų57.30%029%0.289CS..Hα-helixtrans-64.3-40.9172.4-77-52.5000112.6F171 F174 I180 P181 I183 L198 S200 S205 L206 F214 P627F171-F202 AromaticContact CD2-CD1 3.86Å; F171-F202 HydrophobicContact CD2-CD1 3.86Å; F171-F202 AromaticContact CD2-CE1 3.85Å; F171-F202 HydrophobicContact CD2-CE1 3.85Å; F171-F202 AromaticContact CE2-CD1 3.79Å; F171-F202 HydrophobicContact CE2-CD1 3.79Å; F171-F202 HydrophobicContact CE2-CE1 4.11Å; F174-F202 HydrophobicContact CB-CE1 3.85Å; F174-F202 HydrophobicContact CB-CZ 3.65Å; F174-F202 AromaticContact CD2-CZ 3.9Å; F174-F202 HydrophobicContact CD2-CZ 3.9Å; F174-F202 AromaticContact CG-CZ 3.94Å; F174-F202 HydrophobicContact CG-CZ 3.94Å; I180-F202 HydrophobicContact CG1-CD1 4.36Å; I180-F202 HydrophobicContact CG2-CD1 4.4Å; I180-F202 HydrophobicContact CG2-CG 4.28Å; P181-F202 HydrophobicContact CG-CE2 4.04Å; P181-F202 HydrophobicContact CG-CZ 4.31Å; I183-F202 HydrophobicContact CD1-CD2 4.4Å; I183-F202 HydrophobicContact CD1-CE2 4.39Å; L198-F202 HydrophobicContact CD1-CD2 4.06Å; L198-F202 HydrophobicContact CD1-CE2 3.6Å; L198-F202 HydrophobicContact CD1-CZ 3.94Å; L198-F202 HydrophobicContact CD2-CE2 3.97Å; L198-F202 HydrophobicContact CG-CD2 3.88Å; L198-F202 HydrophobicContact CG-CE2 3.49Å; L198-F202 VanDerWaalsContact CG-CE2 3.49Å; L198-F202 HydrophobicContact CG-CZ 4.3Å; L198-F202 WeakPolarHBondContact O-CD2 3.31Å; L198-F202 PolarHBondContact O-N 3.42Å; S200-F202 PolarHBondContact O-N 3.4Å; F202-S205 PolarHBondContact O-N 2.8Å; F202-L206 WeakPolarHBondContact O-CB 3.43Å; F202-L206 WeakPolarHBondContact O-CG 3.39Å; F202-L206 PolarHBondContact O-N 2.95Å; F202-F214 HydrophobicContact CD1-CE1 4.47Å; F202-F214 HydrophobicContact CD1-CE2 4.18Å; F202-F214 AromaticContact CD1-CZ 3.87Å; F202-F214 HydrophobicContact CD1-CZ 3.87Å; F202-F214 HydrophobicContact CE1-CE1 4.09Å; F202-F214 HydrophobicContact CE1-CE2 4.47Å; F202-F214 AromaticContact CE1-CZ 3.71Å; F202-F214 HydrophobicContact CE1-CZ 3.71Å; F202-P627 HydrophobicContact CB-CB 3.54Å; F202-P627 HydrophobicContact CB-CG 3.91Å; F202-P627 HydrophobicContact CD2-CB 4.43Å; F202-P627 HydrophobicContact CD2-CG 3.86Å; F202-P627 HydrophobicContact CG-CB 4.34Å; F202-P627 HydrophobicContact CG-CG 4.26Å
203R92Very high88.3Confident41 Ų4156.1 Ų56.116%0.15528%0.284CS..Hα-helixtrans-63.9-41.3178.1-73165.7-170.9-61.2-11.4112.4D199 S200 L206 R207 D626 P627 L629D199-R203 WeakPolarHBondContact O-CD 3.31Å; D199-R203 WeakPolarHBondContact O-CG 3.27Å; D199-R203 PolarHBondContact O-N 3.22Å; D199-R203 VanDerWaalsContact O-N 3.12Å; D199-R203 IonicContact OD1-CZ 3.52Å; D199-R203 VanDerWaalsContact OD1-CZ 3.23Å; D199-R203 IonicContact OD1-NE 3.73Å; D199-R203 PolarHBondContact OD1-NE 3.23Å; D199-R203 IonicContact OD1-NH2 3.33Å; D199-R203 PolarHBondContact OD1-NH2 2.76Å; D199-R203 IonicContact OD2-CZ 2.62Å; D199-R203 IonicContact OD2-NE 3.77Å; D199-R203 PolarHBondContact OD2-NE 2.87Å; D199-R203 IonicContact OD2-NH2 2.85Å; D199-R203 PolarHBondContact OD2-NH2 2.79Å; S200-R203 WeakPolarHBondContact O-CB 3.37Å; S200-R203 PolarHBondContact O-N 3.28Å; S200-R203 VanDerWaalsContact O-N 3.07Å; R203-L206 PolarHBondContact O-N 3.46Å; R203-R207 WeakPolarHBondContact O-CD 3.26Å; R203-R207 VanDerWaalsContact O-CG 3.28Å; R203-R207 WeakPolarHBondContact O-CG 3.46Å; R203-R207 PolarHBondContact O-N 3.01Å; R203-D626 VanDerWaalsContact NH2-C 3.35Å; R203-D626 PolarHBondContact NH2-O 3.34Å; R203-P627 HydrophobicContact CG-CB 4.38Å; R203-L629 PolarHBondContact NH1-O 2.61Å
204D90.9Very high87.7Confident87 Ų8753 Ų5347%0.46527%0.269SS..Hα-helixtrans-72.4-37.6179.7-66-29.9000111S200 L206 R207 D208S200-D204 PolarHBondContact O-N 2.96Å; D204-L206 VanDerWaalsContact C-N 3.31Å; D204-L206 PolarHBondContact O-N 2.97Å; D204-R207 PolarHBondContact O-N 3.44Å; D204-R207 VanDerWaalsContact O-N 3.13Å; D204-R207 IonicContact OD1-CZ 2.72Å; D204-R207 IonicContact OD1-NH1 3.92Å; D204-R207 PolarHBondContact OD1-NH1 2.73Å; D204-D208 PolarHBondContact O-N 3.07Å; D204-D208 VanDerWaalsContact O-N 3.15Å
205S88.9Confident86.1Confident11 Ų1159.5 Ų59.58%0.07730%0.3CS..Hα-helixtrans-60.4-36.4168.6-1760000113.3K201 F202 R207 N211 F214K201-S205 WeakPolarHBondContact O-CB 3.46Å; K201-S205 PolarHBondContact O-N 3.38Å; F202-S205 PolarHBondContact O-N 2.8Å; S205-R207 VanDerWaalsContact C-N 3.32Å; S205-N211 PolarHBondContact OG-ND2 3Å; S205-F214 WeakPolarHBondContact OG-CE2 3.34Å
206L87.2Confident84Confident77 Ų7764.7 Ų64.740%0.40333%0.328SS..Hα-helixtrans-74.3-19.2175.3-80.3173.1000113.9I180 F202 R203 D204 K628I180-L206 HydrophobicContact CD1-CD1 3.66Å; I180-L206 HydrophobicContact CD1-CD2 3.62Å; I180-L206 HydrophobicContact CD1-CG 3.66Å; F202-L206 WeakPolarHBondContact O-CB 3.43Å; F202-L206 WeakPolarHBondContact O-CG 3.39Å; F202-L206 PolarHBondContact O-N 2.95Å; R203-L206 PolarHBondContact O-N 3.46Å; D204-L206 VanDerWaalsContact C-N 3.31Å; D204-L206 PolarHBondContact O-N 2.97Å; L206-K628 HydrophobicContact CD1-CG 4.2Å
207R85.9Confident81.6Confident151 Ų15166.8 Ų66.857%0.5734%0.337SS*.Hα-helixtrans-85.2-29.4176.6-76.4163.7168.6175.3-6.5112.5R203 D204 S205 S209R203-R207 WeakPolarHBondContact O-CD 3.26Å; R203-R207 VanDerWaalsContact O-CG 3.28Å; R203-R207 WeakPolarHBondContact O-CG 3.46Å; R203-R207 PolarHBondContact O-N 3.01Å; D204-R207 PolarHBondContact O-N 3.44Å; D204-R207 VanDerWaalsContact O-N 3.13Å; D204-R207 IonicContact OD1-CZ 2.72Å; D204-R207 IonicContact OD1-NH1 3.92Å; D204-R207 PolarHBondContact OD1-NH1 2.73Å; S205-R207 VanDerWaalsContact C-N 3.32Å; R207-S209 PolarHBondContact O-N 2.76Å
208D83Confident78.9Confident67 Ų6769.1 Ų69.136%0.35836%0.355SS..  trans-73.8104.2175.2-1742.2000110.7D204 R210 N211D204-D208 PolarHBondContact O-N 3.07Å; D204-D208 VanDerWaalsContact O-N 3.15Å; D208-R210 PolarHBondContact O-N 2.99Å; D208-R210 VanDerWaalsContact O-N 3.09Å; D208-R210 WeakPolarHBondContact OD1-CB 3.32Å; D208-R210 WeakPolarHBondContact OD1-CG 3.07Å; D208-R210 PolarHBondContact OD1-N 3.07Å; D208-N211 HydrophobicContact CB-CB 3.99Å; D208-N211 WeakPolarHBondContact O-CB 3.5Å; D208-N211 PolarHBondContact O-N 2.82Å
209S70Confident76.2Confident115 Ų11571.6 Ų71.680%0.80438%0.375SS*.THydrogen-bonded Turntrans-64.6-10178.358.50000114.5R207R207-S209 PolarHBondContact O-N 2.76Å
210R71.9Confident73.7Confident219 Ų21979.1 Ų79.183%0.82640%0.404SS*.THydrogen-bonded Turntrans-84.6-16.6171.8-51.3178.4-159.21528112.3D208 S212D208-R210 PolarHBondContact O-N 2.99Å; D208-R210 VanDerWaalsContact O-N 3.09Å; D208-R210 WeakPolarHBondContact OD1-CB 3.32Å; D208-R210 WeakPolarHBondContact OD1-CG 3.07Å; D208-R210 PolarHBondContact OD1-N 3.07Å; R210-S212 PolarHBondContact O-N 3Å
211N71.7Confident70.7Confident35 Ų3579.9 Ų79.919%0.18742%0.42CS..  trans-89.8100.8-170.8-166.3-27.2000111.2S205 D208 L213S205-N211 PolarHBondContact OG-ND2 3Å; D208-N211 HydrophobicContact CB-CB 3.99Å; D208-N211 WeakPolarHBondContact O-CB 3.5Å; D208-N211 PolarHBondContact O-N 2.82Å; N211-L213 WeakPolarHBondContact OD1-CB 3.34Å; N211-L213 VanDerWaalsContact OD1-CD1 3.26Å; N211-L213 WeakPolarHBondContact OD1-CD1 3.46Å; N211-L213 WeakPolarHBondContact OD1-CG 3.29Å; N211-L213 PolarHBondContact OD1-N 3.37Å
212S77.1Confident67.8Low75 Ų7584.3 Ų84.352%0.52444%0.436SS..  trans-88.31.9-17658.70000114.8R210 F214 M215R210-S212 PolarHBondContact O-N 3Å; S212-F214 PolarHBondContact O-N 3.17Å; S212-F214 VanDerWaalsContact O-N 3.11Å; S212-M215 PolarHBondContact O-N 3.41Å
213L78.6Confident64.6Low17 Ų1787.4 Ų87.49%0.08947%0.468CS..THydrogen-bonded Turntrans-52.8-37.8-174.2-68.7169.5000113.3Y123 F171 A175 N211Y123-L213 HydrophobicContact CD1-CD1 4.32Å; Y123-L213 HydrophobicContact CD2-CD2 3.97Å; Y123-L213 HydrophobicContact CE1-CD1 3.78Å; Y123-L213 HydrophobicContact CE2-CD1 4.06Å; Y123-L213 HydrophobicContact CE2-CD2 3.88Å; F171-L213 HydrophobicContact CE1-CD1 4.21Å; F171-L213 HydrophobicContact CZ-CD1 4.36Å; A175-L213 HydrophobicContact CB-CD1 4.26Å; A175-L213 HydrophobicContact CB-CD2 4.42Å; N211-L213 WeakPolarHBondContact OD1-CB 3.34Å; N211-L213 VanDerWaalsContact OD1-CD1 3.26Å; N211-L213 WeakPolarHBondContact OD1-CD1 3.46Å; N211-L213 WeakPolarHBondContact OD1-CG 3.29Å; N211-L213 PolarHBondContact OD1-N 3.37Å
214F81.4Confident61.5Low21 Ų2193.1 Ų93.19%0.09250%0.5CS..THydrogen-bonded Turntrans-114.68.9-174.3-52.5-70.6000114.1F171 F174 A175 S179 I180 F202 S205 S212F171-F214 HydrophobicContact CE2-CE2 4.06Å; F171-F214 HydrophobicContact CE2-CZ 4.1Å; F171-F214 AromaticContact CZ-CE2 3.84Å; F171-F214 HydrophobicContact CZ-CE2 3.84Å; F171-F214 AromaticContact CZ-CZ 3.99Å; F171-F214 HydrophobicContact CZ-CZ 3.99Å; F174-F214 HydrophobicContact CB-CE1 4.48Å; A175-F214 HydrophobicContact CB-CE1 4.49Å; A175-F214 HydrophobicContact CB-CZ 4.16Å; S179-F214 WeakPolarHBondContact O-CD1 3.41Å; S179-F214 WeakPolarHBondContact O-CE1 3.32Å; I180-F214 HydrophobicContact CD1-CB 3.72Å; I180-F214 HydrophobicContact CD1-CD1 3.99Å; I180-F214 HydrophobicContact CD1-CD2 3.92Å; I180-F214 HydrophobicContact CD1-CG 3.6Å; I180-F214 HydrophobicContact CG1-CB 3.95Å; I180-F214 HydrophobicContact CG1-CD1 3.4Å; I180-F214 HydrophobicContact CG1-CD2 4.21Å; I180-F214 HydrophobicContact CG1-CE1 3.88Å; I180-F214 HydrophobicContact CG1-CG 3.58Å; I180-F214 HydrophobicContact CG1-CZ 4.47Å; F202-F214 HydrophobicContact CD1-CE1 4.47Å; F202-F214 HydrophobicContact CD1-CE2 4.18Å; F202-F214 AromaticContact CD1-CZ 3.87Å; F202-F214 HydrophobicContact CD1-CZ 3.87Å; F202-F214 HydrophobicContact CE1-CE1 4.09Å; F202-F214 HydrophobicContact CE1-CE2 4.47Å; F202-F214 AromaticContact CE1-CZ 3.71Å; F202-F214 HydrophobicContact CE1-CZ 3.71Å; S205-F214 WeakPolarHBondContact OG-CE2 3.34Å; S212-F214 PolarHBondContact O-N 3.17Å; S212-F214 VanDerWaalsContact O-N 3.11Å
215M63.3Low58.4Low135 Ų13595 Ų9567%0.66552%0.515SS*.THydrogen-bonded Turntrans-79.4-25.8-178.2-67.5-172.870.300112.8S212S212-M215 PolarHBondContact O-N 3.41Å
216N54.2Low55.4Low110 Ų11098.2 Ų98.259%0.58854%0.541SS*.  trans-105.8103.8179-72.2-9.9000109.7T218N216-T218 CarbonylContact O-C 3.51Å; N216-T218 PolarHBondContact O-N 3.35Å; N216-T218 VanDerWaalsContact O-N 3.14Å; N216-T218 VanDerWaalsContact O-O 3.07Å
217N45.2Very low52.6Low76 Ų76102 Ų10241%0.40656%0.562SS.*SBendtrans-71.90.9174.3-152.682.3000112.6L258N217-L258 PolarHBondContact ND2-O 3.07Å; N217-L258 VanDerWaalsContact O-CD2 3.26Å; N217-L258 WeakPolarHBondContact O-CD2 3.36Å
218T39.6Very low49.9Very low101 Ų101101.6 Ų101.662%0.6257%0.571SS**SBendtrans-76.6110.915452.90000107.8N216N216-T218 CarbonylContact O-C 3.51Å; N216-T218 PolarHBondContact O-N 3.35Å; N216-T218 VanDerWaalsContact O-N 3.14Å; N216-T218 VanDerWaalsContact O-O 3.07Å
219A40.7Very low47.3Very low51 Ų51105.9 Ų105.942%0.42159%0.594SS.*  trans-44.3150.4162.600000110G221A219-G221 PolarHBondContact O-N 3.48Å
220R41.8Very low45.4Very low158 Ų158106 Ų10660%0.59660%0.595SS**  trans-71.160.1174.5-71.3-179.8173.3173.9-0.2110.5Y222R220-Y222 PolarHBondContact O-N 3.48Å
221G32.8Very low43.6Very low67 Ų67101.3 Ų101.369%0.69160%0.596SS**  trans-63.8101-171.400000110.6A219 G223A219-G221 PolarHBondContact O-N 3.48Å; G221-G223 PolarHBondContact O-N 2.89Å
222Y33.8Very low41.5Very low157 Ų157103.3 Ų103.362%0.61663%0.625SS**  trans-65.781.7156.4-89.1-87.2000108L8 R220 I224L8-Y222 HydrophobicContact CD1-CD1 4.26Å; L8-Y222 HydrophobicContact CD1-CE1 4.13Å; R220-Y222 PolarHBondContact O-N 3.48Å; Y222-I224 PolarHBondContact O-N 2.9Å
223G27.6Very low39.3Very low65 Ų65109.4 Ų109.467%0.6765%0.645SS**  trans-65101.2167.600000108.7G221 T225G221-G223 PolarHBondContact O-N 2.89Å; G223-T225 VanDerWaalsContact C-N 3.3Å; G223-T225 PolarHBondContact O-N 3.09Å
224I26.3Very low36.9Very low161 Ų161120.2 Ų120.283%0.82668%0.684SS**  trans-67.697.8161.7-62.7176.4000105.8Y222 A226Y222-I224 PolarHBondContact O-N 2.9Å; I224-A226 PolarHBondContact O-N 3.35Å
225T25.9Very low34.4Very low127 Ų127128.1 Ų128.178%0.77973%0.727SS**  trans-70.287168.549.60000108.2G223G223-T225 VanDerWaalsContact C-N 3.3Å; G223-T225 PolarHBondContact O-N 3.09Å
226A25.8Very low32.6Very low77 Ų77124.9 Ų124.964%0.63673%0.728SS**  trans-64.2131.9164.800000108.9I224I224-A226 PolarHBondContact O-N 3.35Å
227N27.1Very low31.5Very low158 Ų158127.3 Ų127.385%0.84574%0.74SS**  trans75.295179.7-48-20.5000115.1
228D29.2Very low30.6Very low141 Ų141130.4 Ų130.475%0.75476%0.757SS**  trans-111100.9154.7-164.916.3000107.2S230D228-S230 PolarHBondContact O-N 3.25Å
229D30Very low30.2Very low157 Ų157130.7 Ų130.784%0.8476%0.763SS**  trans-87.399.6-178.4-127.6-8.6000108.4S231D229-S231 PolarHBondContact O-N 3.27Å; D229-S231 VanDerWaalsContact O-N 3.08Å
230S30.3Very low29.5Very low119 Ų119134.2 Ų134.283%0.83278%0.784SS**  trans-70.4106.4-168.862.60000112.7D228D228-S230 PolarHBondContact O-N 3.25Å
231S32.7Very low29Very low119 Ų119132.1 Ų132.183%0.83279%0.794SS**  trans-134.4125.4154.860.80000108.7D229D229-S231 PolarHBondContact O-N 3.27Å; D229-S231 VanDerWaalsContact O-N 3.08Å
232G28.8Very low29.1Very low77 Ų77134.3 Ų134.379%0.79480%0.796SS**  trans-113155.7-163.300000114.5
233E30.6Very low28.7Very low204 Ų204134.5 Ų134.595%0.95381%0.807SS**  trans-147.9147.6150.3-118-176.9177.100110.3
234R27.1Very low28.8Very low243 Ų243136.5 Ų136.592%0.91781%0.811SS**  trans-113.9111.4-172-82.9178.6160.6-170.1-3.9112.4
235L30.1Very low28.8Very low188 Ų188136.7 Ų136.798%0.98481%0.812SS**  trans-156.5154.1153.8-69.4-178.1000108.5
236G25.6Very low29Very low67 Ų67137.7 Ų137.769%0.69181%0.812SS**  cis170.1146.6-11.300000113.5
237L31Very low29.3Very low161 Ų161141.4 Ų141.484%0.84382%0.822SS**  trans69.1114.5162.1-60.7169.8000121.8
238N26.3Very low29.2Very low140 Ų140143.8 Ų143.875%0.74982%0.819SS**  65.9105127.2-61.54.6000124
239S29.7Very low29Very low107 Ų107144.3 Ų144.375%0.74882%0.822SS**  35.8109.4127.665.30000121.6
240S27.7Very low29.1Very low125 Ų125142.1 Ų142.187%0.87482%0.818SS**  176.6146.3115.737.50000112
241S30.9Very low28.9Very low114 Ų114145.8 Ų145.880%0.79782%0.822SS**  trans-72.7167.6166.4-46.50000110.4
242P35.4Very low28.8Very low113 Ų113147.8 Ų147.873%0.73482%0.82SS**  cis-144.2-176.517.542.7-22.3000117
243L24.8Very low28.8Very low161 Ų161152.2 Ų152.284%0.84383%0.826SS**  trans29122.4152.3-67.3173.1000121.9
244S30.6Very low28.7Very low108 Ų108146.9 Ų146.976%0.75581%0.811SS**  trans79.7147.4154.278.60000118.8
245L24.3Very low29.1Very low164 Ų164139.8 Ų139.886%0.85980%0.797SS**  trans74.5135-165.7-50169.4000112.4
246L30.3Very low29.4Very low148 Ų148135.2 Ų135.278%0.77578%0.778SS**  cis-132.2150.112-76.887.8000113.2
247N32.7Very low30.2Very low156 Ų156135.1 Ų135.183%0.83476%0.762SS**  trans-81.1118.5145.8170.213.7000108.5
248R25.2Very low30.8Very low207 Ų207131.2 Ų131.278%0.78174%0.741SS**  trans-167.2121.5153.1-112.8171.4-170.7-167.22.2112.7
249N25.9Very low31.9Very low153 Ų153133.9 Ų133.982%0.81875%0.747SS**  trans6069.1152.3-59.77.9000118.3
250S32.2Very low33.9Very low110 Ų110131.5 Ų131.577%0.76972%0.724SS**  trans-121.179.6146.247.60000110M252S250-M252 PolarHBondContact O-N 3.47Å
251Q25.9Very low36.7Very low197 Ų197127.8 Ų127.892%0.92169%0.69SS**  trans-70.581.2160-86.1-177.1-30.800108.3
252M30.5Very low39.6Very low160 Ų160122.6 Ų122.679%0.78865%0.654SS**  trans-105132160.2-79.1-67.1164.600107.4S250 S254S250-M252 PolarHBondContact O-N 3.47Å; M252-S254 PolarHBondContact O-N 2.87Å
253N27.2Very low42.4Very low171 Ų171117.2 Ų117.291%0.91462%0.619SS**  trans-62.789.3-170.7-72-24.6000112.2
254S28.4Very low45.8Very low92 Ų92109.6 Ų109.664%0.64358%0.579SS**  trans-76.9134.1155.612.80000108.6M252M252-S254 PolarHBondContact O-N 2.87Å
255P35.4Very low49Very low94 Ų94104.5 Ų104.561%0.6154%0.543SS*.  trans-60.6135.3177.124.9-33000109.7N257P255-N257 PolarHBondContact O-N 3.48Å
256P37.6Very low52.5Low91 Ų9196.7 Ų96.759%0.59150%0.503SS*.THydrogen-bonded Turntrans-69.5-1.4-165.925.8-34.9000115.6
257N42.5Very low55.6Low65 Ų6589.6 Ų89.635%0.34847%0.466SS..THydrogen-bonded Turntrans-91.7-1.4-167.5-83.213.8000116.4P255 F259 Q260 D645P255-N257 PolarHBondContact O-N 3.48Å; N257-F259 PolarHBondContact O-N 3.03Å; N257-Q260 PolarHBondContact O-N 2.97Å; N257-D645 PolarHBondContact ND2-OD2 2.72Å
258L43Very low58.5Low79 Ų7982.5 Ų82.541%0.41443%0.427SS..THydrogen-bonded Turntrans-58.5-10.2179.3-83.8121000115.2N217N217-L258 PolarHBondContact ND2-O 3.07Å; N217-L258 VanDerWaalsContact O-CD2 3.26Å; N217-L258 WeakPolarHBondContact O-CD2 3.36Å
259F50.8Low61.7Low197 Ų19772.7 Ų72.786%0.86439%0.39SS*.THydrogen-bonded Turntrans-84.5-14.4176.5-68-72.7000114.6N257N257-F259 PolarHBondContact O-N 3.03Å
260Q71.7Confident64.8Low56 Ų5666.5 Ų66.526%0.26236%0.359SS..SBendtrans-93.9135.5174.5-169.9157.3-3.500110.4N257 P643N257-Q260 PolarHBondContact O-N 2.97Å; Q260-P643 PolarHBondContact NE2-O 2.64Å
261R85.1Confident67.5Low47 Ų4762.4 Ų62.418%0.17733%0.329CS..PPolyproline II helixtrans-79.2138.6178.3-74169.762.8-1640.8110.4I180 P181 D626I180-R261 PolarHBondContact O-NE 3.24Å; P181-R261 PolarHBondContact O-NH2 2.79Å; R261-D626 IonicContact CZ-OD1 3.37Å; R261-D626 IonicContact CZ-OD2 3.73Å; R261-D626 IonicContact NH1-OD1 2.7Å; R261-D626 PolarHBondContact NH1-OD1 3.4Å; R261-D626 IonicContact NH1-OD2 3.7Å; R261-D626 PolarHBondContact NH1-OD2 3.01Å; R261-D626 IonicContact NH2-OD1 3.82Å; R261-D626 PolarHBondContact NH2-OD1 2.99Å; R261-D626 IonicContact NH2-OD2 3.66Å
262P91.8Very high70.6Confident6 Ų653.5 Ų53.54%0.03929%0.287CS..PPolyproline II helixtrans-63.9150.3175.724.3-32000111.4F174 P181 I182 E646 F648F174-P262 HydrophobicContact CE1-CG 4.16Å; P181-P262 CarbonylContact C-O 3.39Å; P181-P262 WeakPolarHBondContact CA-O 3.35Å; P181-P262 HydrophobicContact CB-CG 4.32Å; P181-P262 WeakPolarHBondContact CB-O 3.36Å; I182-P262 PolarHBondContact N-O 2.86Å; P262-E646 HydrophobicContact CB-CB 4.47Å; P262-E646 HydrophobicContact CB-CG 4.14Å; P262-F648 HydrophobicContact CB-CD2 3.89Å; P262-F648 HydrophobicContact CB-CE2 3.85Å; P262-F648 HydrophobicContact CG-CE2 4.43Å
263L94.2Very high73.6Confident0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-91.7119.2171.9-179.764.8000109.7I182 R184 I265 L610 M611 F644 E646 A647 F648I182-L263 HydrophobicContact CG2-CD1 4.41Å; I182-L263 CarbonylContact O-C 3.52Å; R184-L263 HydrophobicContact CG-CD1 3.65Å; L263-I265 HydrophobicContact CD2-CD1 3.75Å; L263-I265 HydrophobicContact CD2-CG1 3.81Å; L263-I265 HydrophobicContact CG-CD1 4.28Å; L263-I265 HydrophobicContact CG-CG1 3.79Å; L263-L610 HydrophobicContact CD2-CB 4.33Å; L263-M611 HydrophobicContact CD2-CG 4.09Å; L263-F644 HydrophobicContact CB-CB 4.17Å; L263-F644 HydrophobicContact CB-CD1 3.74Å; L263-F644 HydrophobicContact CB-CD2 4.28Å; L263-F644 HydrophobicContact CB-CE1 4.12Å; L263-F644 HydrophobicContact CB-CG 3.82Å; L263-F644 HydrophobicContact CD1-CD2 4.25Å; L263-F644 HydrophobicContact CD1-CE1 4.21Å; L263-F644 HydrophobicContact CD1-CE2 3.87Å; L263-F644 HydrophobicContact CD1-CZ 3.86Å; L263-F644 HydrophobicContact CD2-CB 4.34Å; L263-F644 HydrophobicContact CD2-CD2 3.76Å; L263-F644 HydrophobicContact CD2-CE2 4.17Å; L263-F644 HydrophobicContact CD2-CG 4.05Å; L263-F644 HydrophobicContact CG-CD2 4.33Å; L263-F644 HydrophobicContact CG-CE2 4.45Å; L263-F644 HydrophobicContact CG-CG 4.37Å; L263-E646 PolarHBondContact N-O 3.14Å; L263-A647 HydrophobicContact CB-CB 4.18Å; L263-A647 HydrophobicContact CD2-CB 4.49Å; L263-A647 CarbonylContact O-C 3.58Å; L263-A647 WeakPolarHBondContact O-CA 3.45Å; L263-F648 PolarHBondContact O-N 3.15Å
264L97.5Very high76.7Confident1 Ų138.2 Ų38.21%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-93.4117.6166.8176.662.7000108.9L170 F174 P181 I182 I183 R184 L198 I266 F648 F650L170-L264 HydrophobicContact CD2-CD1 4.16Å; F174-L264 HydrophobicContact CE2-CB 4.39Å; F174-L264 HydrophobicContact CE2-CD1 4.04Å; F174-L264 HydrophobicContact CE2-CD2 3.84Å; F174-L264 HydrophobicContact CE2-CG 4.31Å; F174-L264 HydrophobicContact CZ-CB 4.18Å; F174-L264 HydrophobicContact CZ-CD1 4.23Å; F174-L264 HydrophobicContact CZ-CD2 4.46Å; P181-L264 HydrophobicContact CB-CB 3.69Å; P181-L264 HydrophobicContact CG-CB 3.89Å; P181-L264 HydrophobicContact CG-CD2 4.23Å; I182-L264 PolarHBondContact O-N 2.74Å; I183-L264 CarbonylContact C-O 3.58Å; I183-L264 WeakPolarHBondContact CA-O 3.42Å; I183-L264 HydrophobicContact CG1-CB 4.47Å; I183-L264 HydrophobicContact CG1-CD2 4.23Å; I183-L264 HydrophobicContact CG2-CB 4.49Å; I183-L264 HydrophobicContact CG2-CD2 4.15Å; I183-L264 HydrophobicContact CG2-CG 4.31Å; R184-L264 PolarHBondContact N-O 3.16Å; L198-L264 HydrophobicContact CD2-CD2 3.56Å; L264-I266 HydrophobicContact CD1-CG1 4.31Å; L264-I266 HydrophobicContact CD2-CD1 3.94Å; L264-I266 HydrophobicContact CD2-CG1 4.07Å; L264-I266 HydrophobicContact CG-CD1 4.3Å; L264-I266 HydrophobicContact CG-CG1 3.86Å; L264-F648 CarbonylContact C-O 3.36Å; L264-F648 WeakPolarHBondContact CA-O 3.38Å; L264-F648 HydrophobicContact CD1-CB 3.84Å; L264-F650 HydrophobicContact CD1-CB 4.29Å
265I97.1Very high79.8Confident0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-105.5114.2173.4-53.2174.6000107.4R184 L263 L267 V607 L610 F648 V649 F650R184-I265 CarbonylContact O-C 3.59Å; R184-I265 WeakPolarHBondContact O-CA 3.32Å; L263-I265 HydrophobicContact CD2-CD1 3.75Å; L263-I265 HydrophobicContact CD2-CG1 3.81Å; L263-I265 HydrophobicContact CG-CD1 4.28Å; L263-I265 HydrophobicContact CG-CG1 3.79Å; I265-L267 HydrophobicContact CG2-CD1 4.48Å; I265-L267 HydrophobicContact CG2-CD2 3.83Å; I265-L267 HydrophobicContact CG2-CG 4.01Å; I265-V607 HydrophobicContact CD1-CB 4.16Å; I265-V607 HydrophobicContact CD1-CG1 4.03Å; I265-V607 HydrophobicContact CD1-CG2 3.87Å; I265-L610 HydrophobicContact CD1-CB 4.03Å; I265-L610 HydrophobicContact CD1-CD1 4Å; I265-L610 HydrophobicContact CG1-CD1 4.21Å; I265-L610 HydrophobicContact CG2-CD1 3.82Å; I265-F648 PolarHBondContact N-O 2.64Å; I265-V649 CarbonylContact O-C 3.58Å; I265-F650 PolarHBondContact O-N 2.92Å
266I97.8Very high82.6Confident0 Ų029.6 Ų29.60%015%0.151CC..EExtended strand (participates in β ladder)trans-101.8126.5175.9-46.7-174.2000108.3L170 I183 R184 C185 P186 V194 A195 L198 L264 F650 V652L170-I266 HydrophobicContact CD1-CD1 4.06Å; I183-I266 HydrophobicContact CG2-CD1 3.89Å; I183-I266 HydrophobicContact CG2-CG1 4.09Å; R184-I266 PolarHBondContact O-N 3.14Å; C185-I266 WeakPolarHBondContact CA-O 3.49Å; C185-I266 HydrophobicContact CB-CB 4.16Å; P186-I266 WeakPolarHBondContact CD-O 3.46Å; V194-I266 HydrophobicContact CB-CD1 4.45Å; V194-I266 HydrophobicContact CG1-CD1 3.8Å; V194-I266 HydrophobicContact CG1-CG2 4.47Å; A195-I266 HydrophobicContact CB-CD1 4.12Å; L198-I266 HydrophobicContact CD2-CD1 4.41Å; L264-I266 HydrophobicContact CD1-CG1 4.31Å; L264-I266 HydrophobicContact CD2-CD1 3.94Å; L264-I266 HydrophobicContact CD2-CG1 4.07Å; L264-I266 HydrophobicContact CG-CD1 4.3Å; L264-I266 HydrophobicContact CG-CG1 3.86Å; I266-F650 WeakPolarHBondContact CA-O 3.44Å; I266-V652 HydrophobicContact CG2-CG2 3.67Å
267L95.4Very high85.4Confident0 Ų025.2 Ų25.20%012%0.123CC..EExtended strand (participates in β ladder)trans-124.2149-176.9-59.4177.3000110I265 L271 F603 I606 Y622 V649 F650 V652I265-L267 HydrophobicContact CG2-CD1 4.48Å; I265-L267 HydrophobicContact CG2-CD2 3.83Å; I265-L267 HydrophobicContact CG2-CG 4.01Å; L267-L271 HydrophobicContact CB-CD1 4.19Å; L267-L271 HydrophobicContact CD2-CD1 4Å; L267-F603 HydrophobicContact CB-CE1 4.47Å; L267-F603 HydrophobicContact CB-CZ 4.4Å; L267-F603 HydrophobicContact CD1-CB 4.05Å; L267-F603 HydrophobicContact CD1-CD1 3.76Å; L267-F603 HydrophobicContact CD1-CD2 4.05Å; L267-F603 HydrophobicContact CD1-CE1 4.19Å; L267-F603 HydrophobicContact CD1-CE2 4.44Å; L267-F603 HydrophobicContact CD1-CG 3.69Å; L267-F603 HydrophobicContact CD1-CZ 4.5Å; L267-I606 HydrophobicContact CD2-CG2 4.1Å; L267-Y622 HydrophobicContact CD2-CE1 4.07Å; L267-V649 HydrophobicContact CD1-CG1 4.05Å; L267-F650 PolarHBondContact N-O 3.07Å; L267-V652 PolarHBondContact O-N 3.08Å
268D92.8Very high87.9Confident6 Ų622.4 Ų22.43%0.03211%0.108CC..EExtended strand (participates in β ladder)trans-94.3141167.5-60.1-82.8000110.3N189 A190 S191 S270 L271N189-D268 WeakPolarHBondContact CB-OD2 3.28Å; A190-D268 WeakPolarHBondContact CB-OD1 3.29Å; A190-D268 PolarHBondContact N-OD1 2.99Å; A190-D268 VanDerWaalsContact N-OD1 3.15Å; S191-D268 WeakPolarHBondContact CB-OD2 3.29Å; S191-D268 PolarHBondContact N-OD1 3.08Å; S191-D268 PolarHBondContact OG-OD2 3.48Å; D268-S270 WeakPolarHBondContact CB-OG 3.42Å; D268-S270 PolarHBondContact O-N 3.02Å; D268-S270 VanDerWaalsContact O-N 3.14Å; D268-L271 WeakPolarHBondContact O-CB 3.24Å; D268-L271 WeakPolarHBondContact O-CG 3.49Å; D268-L271 PolarHBondContact O-N 2.81Å
269R93.5Very high90.4Very high1 Ų118.8 Ų18.80%0.0049%0.089CC..G310 helixtrans-54.1-30.9172.4179.376.1-73.4152.1-15.6113.6F146 L271 D272 L273 F603 V651 V652 G653 G654 E659 F730F146-R269 HydrophobicContact CD2-CB 3.72Å; F146-R269 HydrophobicContact CD2-CG 3.58Å; F146-R269 HydrophobicContact CE2-CB 4.02Å; F146-R269 HydrophobicContact CE2-CG 3.81Å; F146-R269 HydrophobicContact CG-CG 4.25Å; R269-L271 PolarHBondContact O-N 3.01Å; R269-L271 VanDerWaalsContact O-N 3.12Å; R269-D272 VanDerWaalsContact CZ-O 3.23Å; R269-D272 PolarHBondContact NE-O 3.16Å; R269-D272 PolarHBondContact NH2-O 3.03Å; R269-D272 CarbonylContact O-C 3.54Å; R269-D272 PolarHBondContact O-N 3.36Å; R269-L273 HydrophobicContact CG-CD2 4.12Å; R269-F603 VanDerWaalsContact NH2-CE2 3.3Å; R269-V651 HydrophobicContact CB-CG1 4.45Å; R269-V652 PolarHBondContact N-O 3.04Å; R269-G653 WeakPolarHBondContact CB-O 3.48Å; R269-G653 WeakPolarHBondContact CD-O 3.26Å; R269-G653 WeakPolarHBondContact CG-O 3.45Å; R269-G654 WeakPolarHBondContact CD-O 3.23Å; R269-G654 PolarHBondContact NH1-O 3.33Å; R269-E659 IonicContact CZ-OE1 2.73Å; R269-E659 IonicContact CZ-OE2 3.23Å; R269-E659 VanDerWaalsContact NH1-CD 3.25Å; R269-E659 IonicContact NH1-OE1 3.81Å; R269-E659 PolarHBondContact NH1-OE1 3.1Å; R269-E659 IonicContact NH1-OE2 3.2Å; R269-E659 PolarHBondContact NH1-OE2 2.84Å; R269-E659 VanDerWaalsContact NH2-CD 3.34Å; R269-E659 IonicContact NH2-OE1 2.64Å; R269-E659 PolarHBondContact NH2-OE1 3.47Å; R269-E659 IonicContact NH2-OE2 2.59Å; R269-F730 HydrophobicContact CG-CE2 3.91Å; R269-F730 HydrophobicContact CG-CZ 3.92Å
270S89.5Confident92.4Very high23 Ų2311.4 Ų11.416%0.1616%0.057CC..G310 helixtrans-61.4-17177.859.10000114.4D268 D272 F550D268-S270 WeakPolarHBondContact CB-OG 3.42Å; D268-S270 PolarHBondContact O-N 3.02Å; D268-S270 VanDerWaalsContact O-N 3.14Å; S270-D272 VanDerWaalsContact C-N 3.27Å; S270-D272 PolarHBondContact O-N 3.37Å; S270-F550 VanDerWaalsContact O-CZ 3.31Å; S270-F550 WeakPolarHBondContact O-CZ 3.4Å
271L89.3Confident93.4Very high24 Ų2410.4 Ų10.413%0.1265%0.053CC..G310 helixtrans-67.7-28.2172.6-64.8174.5000112.5P186 L267 D268 R269 F603P186-L271 HydrophobicContact CG-CD1 3.79Å; L267-L271 HydrophobicContact CB-CD1 4.19Å; L267-L271 HydrophobicContact CD2-CD1 4Å; D268-L271 WeakPolarHBondContact O-CB 3.24Å; D268-L271 WeakPolarHBondContact O-CG 3.49Å; D268-L271 PolarHBondContact O-N 2.81Å; R269-L271 PolarHBondContact O-N 3.01Å; R269-L271 VanDerWaalsContact O-N 3.12Å; L271-F603 HydrophobicContact CB-CE1 3.92Å; L271-F603 HydrophobicContact CD1-CE1 4.47Å
272D91.1Very high93.8Very high10 Ų108.3 Ų8.35%0.0535%0.046CC..  trans-153.1102.4-178.11776.1000110.7R269 S270 A274 S275 P602 F603R269-D272 VanDerWaalsContact CZ-O 3.23Å; R269-D272 PolarHBondContact NE-O 3.16Å; R269-D272 PolarHBondContact NH2-O 3.03Å; R269-D272 CarbonylContact O-C 3.54Å; R269-D272 PolarHBondContact O-N 3.36Å; S270-D272 VanDerWaalsContact C-N 3.27Å; S270-D272 PolarHBondContact O-N 3.37Å; D272-A274 PolarHBondContact OD1-N 2.89Å; D272-S275 PolarHBondContact OD1-N 2.95Å; D272-S275 VanDerWaalsContact OD1-N 3.1Å; D272-S275 VanDerWaalsContact OD2-CB 3.28Å; D272-S275 WeakPolarHBondContact OD2-CB 3.38Å; D272-S275 PolarHBondContact OD2-OG 3.19Å; D272-P602 HydrophobicContact CB-CB 4.12Å; D272-P602 HydrophobicContact CB-CG 4.19Å; D272-P602 WeakPolarHBondContact OD2-CD 3.29Å; D272-P602 WeakPolarHBondContact OD2-CG 3.47Å; D272-F603 HydrophobicContact CB-CD1 4.3Å; D272-F603 HydrophobicContact CB-CE1 3.8Å; D272-F603 HydrophobicContact CB-CZ 4.24Å
273L93.2Very high94.1Very high4 Ų48 Ų82%0.0214%0.044CC..SBendtrans-93.5-0.8176-57.5178.9000113F146 R269 L484 Y546 I547 F550 F730F146-L273 HydrophobicContact CE1-CD2 4.31Å; F146-L273 HydrophobicContact CE2-CD2 3.82Å; F146-L273 HydrophobicContact CZ-CD2 3.5Å; F146-L273 VanDerWaalsContact CZ-CD2 3.5Å; R269-L273 HydrophobicContact CG-CD2 4.12Å; L273-L484 HydrophobicContact CB-CD1 3.7Å; L273-L484 HydrophobicContact CB-CD2 4.14Å; L273-L484 HydrophobicContact CD1-CD2 4.33Å; L273-Y546 HydrophobicContact CD1-CE1 4.48Å; L273-I547 HydrophobicContact CD1-CD1 4.07Å; L273-F550 HydrophobicContact CD1-CD1 3.71Å; L273-F550 HydrophobicContact CD1-CD2 4.2Å; L273-F550 HydrophobicContact CD1-CE1 3.69Å; L273-F550 HydrophobicContact CD1-CE2 4.18Å; L273-F550 HydrophobicContact CD1-CG 3.97Å; L273-F550 HydrophobicContact CD1-CZ 3.95Å; L273-F550 HydrophobicContact CG-CE1 4.38Å; L273-F550 HydrophobicContact CG-CZ 4.49Å; L273-F730 HydrophobicContact CD2-CZ 3.93Å
274A93.2Very high94.2Very high7 Ų78 Ų86%0.0584%0.044CC..SBendtrans-94.2-43.5-172.400000112D272 L277 H278 L449 I481 L484D272-A274 PolarHBondContact OD1-N 2.89Å; A274-L277 PolarHBondContact O-N 2.88Å; A274-H278 PolarHBondContact O-N 2.87Å; A274-L449 HydrophobicContact CB-CD2 3.89Å; A274-I481 HydrophobicContact CB-CG1 4.38Å; A274-L484 HydrophobicContact CB-CB 4.43Å; A274-L484 HydrophobicContact CB-CD1 3.96Å
275S93.5Very high94.1Very high0 Ų08.4 Ų8.40%05%0.047CC..G310 helixtrans-54.8-40.1-177.2-62.70000115D272 L277 H278D272-S275 PolarHBondContact OD1-N 2.95Å; D272-S275 VanDerWaalsContact OD1-N 3.1Å; D272-S275 VanDerWaalsContact OD2-CB 3.28Å; D272-S275 WeakPolarHBondContact OD2-CB 3.38Å; D272-S275 PolarHBondContact OD2-OG 3.19Å; S275-L277 PolarHBondContact O-N 2.81Å; S275-H278 WeakPolarHBondContact O-CB 3.33Å; S275-H278 PolarHBondContact O-N 2.89Å
276P95.1Very high94Very high4 Ų48.5 Ų8.53%0.0265%0.047CC..G310 helixtrans-67.8-14176.3-20.333.3000114.9P727 F730P276-P727 WeakPolarHBondContact O-CA 3.45Å; P276-P727 WeakPolarHBondContact O-CB 3.29Å; P276-P727 WeakPolarHBondContact O-CG 3.42Å; P276-F730 HydrophobicContact CB-CD1 3.73Å; P276-F730 HydrophobicContact CB-CE1 4.02Å; P276-F730 HydrophobicContact CB-CG 4.15Å; P276-F730 HydrophobicContact CG-CD1 4.3Å; P276-F730 HydrophobicContact CG-CE1 4.09Å; P276-F730 HydrophobicContact CG-CZ 4.43Å
277L96.3Very high94Very high0 Ų08.5 Ų8.50%05%0.047CC..G310 helixtrans-99.1-6.8177.9-61173.9000112.6A274 S275 R477 I480 I481 F730 L731 L734A274-L277 PolarHBondContact O-N 2.88Å; S275-L277 PolarHBondContact O-N 2.81Å; L277-R477 HydrophobicContact CB-CG 4.43Å; L277-R477 HydrophobicContact CD2-CG 4.35Å; L277-R477 VanDerWaalsContact O-CZ 3.3Å; L277-R477 PolarHBondContact O-NE 2.81Å; L277-R477 PolarHBondContact O-NH2 2.84Å; L277-I480 HydrophobicContact CD1-CB 4.13Å; L277-I480 HydrophobicContact CD1-CG2 3.43Å; L277-I480 VanDerWaalsContact CD1-CG2 3.43Å; L277-I481 HydrophobicContact CB-CD1 4.07Å; L277-I481 HydrophobicContact CB-CG1 4.16Å; L277-F730 HydrophobicContact CD2-CD1 3.86Å; L277-F730 HydrophobicContact CG-CD1 3.99Å; L277-F730 HydrophobicContact CG-CE1 4.4Å; L277-L731 HydrophobicContact CD2-CB 4.15Å; L277-L731 HydrophobicContact CD2-CD1 4.49Å; L277-L734 HydrophobicContact CD1-CD1 4.09Å
278H94Very high94Very high5 Ų58.9 Ų8.92%0.0235%0.049CC..  trans-65.9138.2-173.6-168.2-122.6000113.2A274 S275 E280 E445 D446 L449 R477 V658A274-H278 PolarHBondContact O-N 2.87Å; S275-H278 WeakPolarHBondContact O-CB 3.33Å; S275-H278 PolarHBondContact O-N 2.89Å; H278-E280 VanDerWaalsContact C-N 3.26Å; H278-E280 IonicContact ND1-OE2 2.74Å; H278-E280 PolarHBondContact O-N 3.36Å; H278-E445 WeakPolarHBondContact CA-OE2 3.35Å; H278-E445 IonicContact CD2-OE2 2.81Å; H278-E445 PolarHBondContact CD2-OE2 3.03Å; H278-D446 IonicContact CE1-OD1 3.28Å; H278-D446 IonicContact NE2-OD1 3.66Å; H278-L449 VanDerWaalsContact CD2-CD1 3.43Å; H278-L449 WeakPolarHBondContact CD2-CD1 3.38Å; H278-R477 PolarHBondContact O-NH2 2.92Å; H278-V658 HydrophobicContact CB-CG1 4.25Å
279H95.4Very high94.2Very high3 Ų39.4 Ų9.41%0.0145%0.052CC..  trans-8067.8172.5-72101.5000112.2L281 D289 I438 A442 E445 D474 R477H279-L281 PolarHBondContact O-N 3.08Å; H279-D289 IonicContact CD2-OD2 3.48Å; H279-I438 HydrophobicContact CB-CG2 3.96Å; H279-A442 HydrophobicContact CB-CB 4.05Å; H279-A442 WeakPolarHBondContact O-CB 3.37Å; H279-E445 IonicContact CE1-OE1 3.26Å; H279-E445 PolarHBondContact CE1-OE1 3.04Å; H279-E445 IonicContact CG-OE1 2.66Å; H279-E445 IonicContact CG-OE2 3.68Å; H279-E445 PolarHBondContact N-OE2 3.29Å; H279-E445 IonicContact ND1-OE1 3.52Å; H279-E445 PolarHBondContact ND1-OE1 3.38Å; H279-E445 IonicContact ND1-OE2 3.17Å; H279-E445 PolarHBondContact ND1-OE2 3.26Å; H279-D474 IonicContact NE2-OD1 3.41Å; H279-R477 PolarHBondContact CD2-NH2 3.43Å; H279-R477 VanDerWaalsContact NE2-CZ 3.32Å
280E92.9Very high94.3Very high43 Ų4311 Ų1120%0.2016%0.06CC..  trans-71.7123.6178.6176.259.9-150.700112.4H278 S282 S285 V658H278-E280 VanDerWaalsContact C-N 3.26Å; H278-E280 IonicContact ND1-OE2 2.74Å; H278-E280 PolarHBondContact O-N 3.36Å; E280-S282 VanDerWaalsContact C-N 3.33Å; E280-S282 WeakPolarHBondContact CG-OG 3.41Å; E280-S282 PolarHBondContact O-N 2.97Å; E280-S282 PolarHBondContact OE1-OG 2.87Å; E280-S282 VanDerWaalsContact OE1-OG 3.09Å; E280-S285 WeakPolarHBondContact CG-OG 3.27Å; E280-V658 HydrophobicContact CB-CB 4.33Å; E280-V658 HydrophobicContact CB-CG1 3.92Å; E280-V658 HydrophobicContact CB-CG2 3.65Å; E280-V658 HydrophobicContact CG-CG1 4.16Å; E280-V658 HydrophobicContact CG-CG2 4.24Å
281L93.3Very high94.6Very high35 Ų3510.9 Ų10.918%0.1836%0.057CC..  trans-88.514.1-174.3-62.9172.1000114.8H279 L286 F349 I438 H439 A442 M591H279-L281 PolarHBondContact O-N 3.08Å; L281-L286 HydrophobicContact CD2-CD2 4.26Å; L281-L286 WeakPolarHBondContact O-CD1 3.21Å; L281-F349 PolarHBondContact O-N 3.25Å; L281-F349 VanDerWaalsContact O-N 3.14Å; L281-I438 HydrophobicContact CD2-CG2 4.07Å; L281-H439 HydrophobicContact CD1-CB 4.3Å; L281-A442 HydrophobicContact CD1-CB 3.99Å; L281-A442 HydrophobicContact CG-CB 4.11Å; L281-M591 HydrophobicContact CD1-CE 4.1Å; L281-M591 HydrophobicContact CD2-CE 4.36Å
282S93.9Very high94.8Very high3 Ų312 Ų122%0.0216%0.063CC..BIsolated β-bridgetrans-77.1151.116953.10000111.7E280 Q284 S285 L286 A347E280-S282 VanDerWaalsContact C-N 3.33Å; E280-S282 WeakPolarHBondContact CG-OG 3.41Å; E280-S282 PolarHBondContact O-N 2.97Å; E280-S282 PolarHBondContact OE1-OG 2.87Å; E280-S282 VanDerWaalsContact OE1-OG 3.09Å; S282-Q284 PolarHBondContact O-N 2.74Å; S282-S285 PolarHBondContact O-N 2.91Å; S282-S285 PolarHBondContact OG-OG 3.25Å; S282-L286 WeakPolarHBondContact O-CB 3.4Å; S282-L286 WeakPolarHBondContact O-CG 3.29Å; S282-L286 PolarHBondContact O-N 3.04Å; S282-A347 VanDerWaalsContact CA-O 3.28Å; S282-A347 WeakPolarHBondContact CA-O 3.32Å
283Y96.6Very high95Very high0 Ų011.7 Ų11.70%06%0.061CC..Hα-helixtrans-61.5-44.4-167.8-172.3-131.2000113.6I287 W341 R345 A347 F349 V352 H422 I425 L429Y283-I287 HydrophobicContact CD1-CD1 3.91Å; Y283-I287 HydrophobicContact CD2-CD1 3.91Å; Y283-I287 HydrophobicContact CD2-CG1 4.38Å; Y283-I287 HydrophobicContact CE1-CD1 3.7Å; Y283-I287 HydrophobicContact CE2-CD1 3.71Å; Y283-I287 HydrophobicContact CE2-CG1 4.27Å; Y283-I287 HydrophobicContact CG-CD1 4.01Å; Y283-I287 WeakPolarHBondContact O-CD1 3.5Å; Y283-I287 VanDerWaalsContact O-CG1 3.22Å; Y283-I287 WeakPolarHBondContact O-CG1 3.45Å; Y283-I287 PolarHBondContact O-N 3.33Å; Y283-W341 HydrophobicContact CD1-CE3 4.24Å; Y283-W341 HydrophobicContact CD1-CZ3 4.04Å; Y283-W341 HydrophobicContact CE1-CE3 4.15Å; Y283-W341 HydrophobicContact CE1-CZ3 4.16Å; Y283-R345 PolarHBondContact N-O 2.85Å; Y283-A347 PolarHBondContact N-O 2.83Å; Y283-F349 HydrophobicContact CD2-CD2 4.19Å; Y283-V352 HydrophobicContact CD1-CG1 3.88Å; Y283-V352 HydrophobicContact CD1-CG2 4.23Å; Y283-V352 HydrophobicContact CD2-CB 4.42Å; Y283-V352 HydrophobicContact CD2-CG1 4Å; Y283-V352 HydrophobicContact CD2-CG2 4.34Å; Y283-V352 HydrophobicContact CE1-CG1 3.88Å; Y283-V352 HydrophobicContact CE2-CG1 3.99Å; Y283-V352 HydrophobicContact CG-CB 4.35Å; Y283-V352 HydrophobicContact CG-CG1 3.94Å; Y283-V352 HydrophobicContact CG-CG2 3.86Å; Y283-H422 AromaticContact CE1-CE1 3.78Å; Y283-H422 AromaticContact CE1-ND1 3.48Å; Y283-H422 WeakPolarHBondContact CE1-ND1 3.25Å; Y283-H422 AromaticContact CZ-ND1 3.58Å; Y283-H422 PolarHBondContact OH-ND1 3.21Å; Y283-I425 HydrophobicContact CE2-CG2 4.03Å; Y283-I425 WeakPolarHBondContact OH-CG2 3.26Å; Y283-L429 HydrophobicContact CD2-CD1 3.99Å; Y283-L429 HydrophobicContact CE2-CD1 3.81Å
284Q95.8Very high95Very high0 Ų017.3 Ų17.30%08%0.082CC..Hα-helixtrans-64.3-44.6177.8-174.2169.245.900112.2S282 I287 H288 I293 W341 R345 Y657S282-Q284 PolarHBondContact O-N 2.74Å; Q284-I287 PolarHBondContact O-N 3.47Å; Q284-H288 WeakPolarHBondContact O-CB 3.31Å; Q284-H288 PolarHBondContact O-N 3.4Å; Q284-I293 HydrophobicContact CG-CD1 4.22Å; Q284-W341 HydrophobicContact CB-CH2 3.97Å; Q284-W341 HydrophobicContact CG-CH2 3.8Å; Q284-W341 HydrophobicContact CG-CZ2 4.07Å; Q284-R345 HydrophobicContact CB-CB 4.19Å; Q284-R345 VanDerWaalsContact CB-O 3.25Å; Q284-R345 WeakPolarHBondContact CB-O 3.44Å; Q284-R345 PolarHBondContact N-O 3.18Å; Q284-Y657 HydrophobicContact CG-CD1 3.49Å; Q284-Y657 VanDerWaalsContact CG-CD1 3.49Å; Q284-Y657 HydrophobicContact CG-CD2 4.23Å; Q284-Y657 HydrophobicContact CG-CE1 3.63Å; Q284-Y657 HydrophobicContact CG-CE2 4.35Å; Q284-Y657 HydrophobicContact CG-CG 3.8Å
285S95.4Very high94.9Very high9 Ų919.4 Ų19.46%0.0639%0.092CC..Hα-helixtrans-63.6-45.8177.2-60.80000111.6E280 S282 I287 H288 D289E280-S285 WeakPolarHBondContact CG-OG 3.27Å; S282-S285 PolarHBondContact O-N 2.91Å; S282-S285 PolarHBondContact OG-OG 3.25Å; S285-I287 PolarHBondContact O-N 3.36Å; S285-H288 PolarHBondContact O-N 3.13Å; S285-D289 WeakPolarHBondContact O-CB 3.04Å; S285-D289 PolarHBondContact O-N 3.25Å
286L96.1Very high94.9Very high2 Ų219.8 Ų19.81%0.019%0.094CC..Hα-helixtrans-59.6-41.9174.7-79.7166.3000112.8L281 S282 H288 I290 F349 L429 I433L281-L286 HydrophobicContact CD2-CD2 4.26Å; L281-L286 WeakPolarHBondContact O-CD1 3.21Å; S282-L286 WeakPolarHBondContact O-CB 3.4Å; S282-L286 WeakPolarHBondContact O-CG 3.29Å; S282-L286 PolarHBondContact O-N 3.04Å; L286-H288 VanDerWaalsContact C-N 3.34Å; L286-I290 WeakPolarHBondContact O-CB 3.33Å; L286-I290 VanDerWaalsContact O-CG1 3.26Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 3.34Å; L286-F349 HydrophobicContact CD1-CB 3.79Å; L286-F349 HydrophobicContact CD1-CD2 4.14Å; L286-F349 HydrophobicContact CD1-CG 4.11Å; L286-L429 HydrophobicContact CB-CD1 4.22Å; L286-L429 HydrophobicContact CB-CD2 4.27Å; L286-I433 HydrophobicContact CD1-CD1 3.85Å; L286-I433 HydrophobicContact CD2-CD1 4.07Å; L286-I433 HydrophobicContact CD2-CG1 4.12Å
287I97.2Very high94.8Very high0 Ų024.2 Ų24.20%011%0.11CC..Hα-helixtrans-66.8-39.4177.3-66.8162.3000110.7Y283 Q284 S285 F291 N292 I293 V298 L333 W341 I425 L429Y283-I287 HydrophobicContact CD1-CD1 3.91Å; Y283-I287 HydrophobicContact CD2-CD1 3.91Å; Y283-I287 HydrophobicContact CD2-CG1 4.38Å; Y283-I287 HydrophobicContact CE1-CD1 3.7Å; Y283-I287 HydrophobicContact CE2-CD1 3.71Å; Y283-I287 HydrophobicContact CE2-CG1 4.27Å; Y283-I287 HydrophobicContact CG-CD1 4.01Å; Y283-I287 WeakPolarHBondContact O-CD1 3.5Å; Y283-I287 VanDerWaalsContact O-CG1 3.22Å; Y283-I287 WeakPolarHBondContact O-CG1 3.45Å; Y283-I287 PolarHBondContact O-N 3.33Å; Q284-I287 PolarHBondContact O-N 3.47Å; S285-I287 PolarHBondContact O-N 3.36Å; I287-F291 HydrophobicContact CG2-CD2 4.42Å; I287-F291 CarbonylContact O-C 3.55Å; I287-F291 WeakPolarHBondContact O-CA 3.45Å; I287-F291 WeakPolarHBondContact O-CB 3.26Å; I287-F291 PolarHBondContact O-N 3.27Å; I287-N292 PolarHBondContact O-N 3.31Å; I287-I293 HydrophobicContact CB-CD1 4.08Å; I287-I293 HydrophobicContact CB-CG1 4.32Å; I287-I293 HydrophobicContact CG2-CD1 3.82Å; I287-I293 HydrophobicContact CG2-CG1 3.62Å; I287-V298 HydrophobicContact CG2-CB 4.34Å; I287-V298 HydrophobicContact CG2-CG2 3.79Å; I287-L333 HydrophobicContact CG2-CD1 4.46Å; I287-W341 HydrophobicContact CD1-CH2 4.3Å; I287-W341 HydrophobicContact CD1-CZ3 3.65Å; I287-I425 HydrophobicContact CD1-CG2 3.81Å; I287-I425 HydrophobicContact CG1-CG2 3.72Å; I287-L429 HydrophobicContact CG1-CD1 3.81Å
288H96.6Very high94.8Very high7 Ų724.2 Ų24.23%0.03211%0.11CC..Hα-helixtrans-72.1-36.9179.1-172.670.1000113.1Q284 S285 L286 N292 I293 Y657 V725 S726Q284-H288 WeakPolarHBondContact O-CB 3.31Å; Q284-H288 PolarHBondContact O-N 3.4Å; S285-H288 PolarHBondContact O-N 3.13Å; L286-H288 VanDerWaalsContact C-N 3.34Å; H288-N292 WeakPolarHBondContact O-CA 3.37Å; H288-N292 PolarHBondContact O-N 3.44Å; H288-I293 HydrophobicContact CB-CB 4.41Å; H288-I293 HydrophobicContact CB-CD1 4.1Å; H288-I293 HydrophobicContact CB-CG1 4.06Å; H288-I293 PolarHBondContact CE1-O 3.37Å; H288-I293 PolarHBondContact ND1-N 2.91Å; H288-I293 PolarHBondContact ND1-O 2.9Å; H288-Y657 HydrophobicContact CB-CD2 3.53Å; H288-Y657 HydrophobicContact CB-CE2 3.77Å; H288-Y657 AromaticContact CD2-CD2 3.67Å; H288-Y657 AromaticContact CG-CD2 3.48Å; H288-Y657 VanDerWaalsContact CG-CD2 3.48Å; H288-Y657 AromaticContact CG-CE2 3.59Å; H288-Y657 AromaticContact ND1-CE2 3.65Å; H288-V725 VanDerWaalsContact NE2-C 3.34Å; H288-V725 PolarHBondContact NE2-O 2.72Å; H288-S726 VanDerWaalsContact NE2-CA 3.26Å; H288-S726 WeakPolarHBondContact NE2-CA 3.49Å; H288-S726 PolarHBondContact NE2-N 3.34Å
289D96.3Very high94.9Very high18 Ų1829 Ų2910%0.09613%0.132CC..Hα-helixtrans-62.2-52.6172.4-166.7-32.3000111H279 S285 R477 P727H279-D289 IonicContact CD2-OD2 3.48Å; S285-D289 WeakPolarHBondContact O-CB 3.04Å; S285-D289 PolarHBondContact O-N 3.25Å; D289-R477 VanDerWaalsContact CG-NH1 3.25Å; D289-R477 IonicContact OD1-CZ 3.31Å; D289-R477 IonicContact OD1-NH1 2.68Å; D289-R477 PolarHBondContact OD1-NH1 3.01Å; D289-R477 IonicContact OD2-CZ 3.36Å; D289-R477 VanDerWaalsContact OD2-CZ 3.28Å; D289-R477 IonicContact OD2-NH1 2.62Å; D289-R477 PolarHBondContact OD2-NH1 3.45Å; D289-R477 IonicContact OD2-NH2 2.82Å; D289-R477 PolarHBondContact OD2-NH2 3Å; D289-P727 HydrophobicContact CB-CG 4.27Å
290I95.6Very high94.9Very high34 Ų3428.8 Ų28.817%0.17413%0.132CC..Hα-helixtrans-82.2-33.5-172.1-55.7-49.1000113.9L286 L429 V432 I438L286-I290 WeakPolarHBondContact O-CB 3.33Å; L286-I290 VanDerWaalsContact O-CG1 3.26Å; L286-I290 WeakPolarHBondContact O-CG1 3.46Å; L286-I290 PolarHBondContact O-N 3.34Å; I290-L429 HydrophobicContact CB-CD2 3.9Å; I290-L429 HydrophobicContact CG1-CD2 3.75Å; I290-L429 HydrophobicContact CG2-CD2 4.24Å; I290-V432 HydrophobicContact CD1-CG1 3.68Å; I290-V432 HydrophobicContact CG1-CG1 4.09Å; I290-V432 HydrophobicContact CG2-CG1 4.23Å; I290-V432 HydrophobicContact CG2-CG2 4.35Å; I290-I438 HydrophobicContact CD1-CD1 4.22Å
291F95.9Very high94.9Very high20 Ų2029.1 Ų29.19%0.08814%0.135CC..Hα-helixtrans-127.9-0.6-170-57.4-65.6000115.1I287 V298 V300 L304 C428 L429I287-F291 HydrophobicContact CG2-CD2 4.42Å; I287-F291 CarbonylContact O-C 3.55Å; I287-F291 WeakPolarHBondContact O-CA 3.45Å; I287-F291 WeakPolarHBondContact O-CB 3.26Å; I287-F291 PolarHBondContact O-N 3.27Å; F291-V298 HydrophobicContact CB-CG2 3.2Å; F291-V298 HydrophobicContact CD2-CG2 4.46Å; F291-V298 HydrophobicContact CG-CG2 4.07Å; F291-V300 HydrophobicContact CD1-CG1 4.5Å; F291-V300 HydrophobicContact CD2-CG2 4.45Å; F291-V300 HydrophobicContact CE1-CB 4.45Å; F291-V300 HydrophobicContact CE1-CG1 3.96Å; F291-V300 HydrophobicContact CE2-CG1 4.42Å; F291-V300 HydrophobicContact CG-CG2 4.39Å; F291-V300 HydrophobicContact CZ-CG1 3.93Å; F291-L304 HydrophobicContact CE1-CD1 3.83Å; F291-L304 HydrophobicContact CZ-CD1 4.26Å; F291-C428 HydrophobicContact CE2-CB 4.4Å; F291-C428 HydrophobicContact CZ-CB 3.68Å; F291-L429 HydrophobicContact CD2-CD2 4.23Å; F291-L429 HydrophobicContact CE2-CD2 3.68Å; F291-L429 HydrophobicContact CE2-CG 4.05Å
292N94.3Very high94.9Very high47 Ų4728.8 Ų28.825%0.25113%0.133SC..  trans52.784.6178.3-168.25.3000114.2I287 H288 R294 E729I287-N292 PolarHBondContact O-N 3.31Å; H288-N292 WeakPolarHBondContact O-CA 3.37Å; H288-N292 PolarHBondContact O-N 3.44Å; N292-R294 PolarHBondContact O-N 3.49Å; N292-R294 PolarHBondContact OD1-NE 3.37Å; N292-E729 PolarHBondContact ND2-OE1 2.65Å
293I95.1Very high94.6Very high4 Ų430.5 Ų30.52%0.02114%0.142CC..  trans-60.8123.3171.9-54.9174.2000109.7Q284 I287 H288 R297 L333 W341 Y657Q284-I293 HydrophobicContact CG-CD1 4.22Å; I287-I293 HydrophobicContact CB-CD1 4.08Å; I287-I293 HydrophobicContact CB-CG1 4.32Å; I287-I293 HydrophobicContact CG2-CD1 3.82Å; I287-I293 HydrophobicContact CG2-CG1 3.62Å; H288-I293 HydrophobicContact CB-CB 4.41Å; H288-I293 HydrophobicContact CB-CD1 4.1Å; H288-I293 HydrophobicContact CB-CG1 4.06Å; H288-I293 PolarHBondContact CE1-O 3.37Å; H288-I293 PolarHBondContact ND1-N 2.91Å; H288-I293 PolarHBondContact ND1-O 2.9Å; I293-R297 WeakPolarHBondContact CA-O 3.44Å; I293-L333 HydrophobicContact CD1-CD1 3.95Å; I293-L333 HydrophobicContact CG1-CD1 4.05Å; I293-L333 HydrophobicContact CG2-CD1 4.22Å; I293-W341 HydrophobicContact CD1-CH2 3.89Å; I293-W341 HydrophobicContact CD1-CZ2 4.39Å; I293-Y657 HydrophobicContact CB-CE2 4.2Å; I293-Y657 HydrophobicContact CD1-CE2 4.01Å
294R92.4Very high94.2Very high122 Ų12233.8 Ų33.846%0.4616%0.159SC..BIsolated β-bridgetrans-129.1120.7173.3-69.1-60.1-162.1164.93.5109.6N292 N296 R297 L724 E729N292-R294 PolarHBondContact O-N 3.49Å; N292-R294 PolarHBondContact OD1-NE 3.37Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 3.35Å; R294-R297 PolarHBondContact N-O 2.92Å; R294-R297 WeakPolarHBondContact O-CA 3.46Å; R294-R297 WeakPolarHBondContact O-CB 3.37Å; R294-R297 PolarHBondContact O-N 3.01Å; R294-L724 PolarHBondContact NH1-O 2.72Å; R294-L724 VanDerWaalsContact NH1-O 3.15Å; R294-E729 IonicContact CZ-OE1 3.32Å; R294-E729 IonicContact CZ-OE2 3.06Å; R294-E729 IonicContact NE-OE1 3.45Å; R294-E729 IonicContact NH2-OE1 3.48Å; R294-E729 PolarHBondContact NH2-OE1 3.28Å; R294-E729 IonicContact NH2-OE2 3.2Å; R294-E729 PolarHBondContact NH2-OE2 3.02Å
295L91.9Very high93.5Very high51 Ų5135.3 Ų35.327%0.26717%0.172SC..THydrogen-bonded Turntrans50.646.9179.7-55.5177.5000113.4D27 P31 I127 L129 R297D27-L295 HydrophobicContact CB-CD1 3.64Å; D27-L295 HydrophobicContact CB-CD2 4.45Å; P31-L295 HydrophobicContact CG-CB 4.37Å; I127-L295 HydrophobicContact CD1-CD2 3.8Å; I127-L295 HydrophobicContact CG2-CD2 4.02Å; L129-L295 HydrophobicContact CD2-CD2 4.45Å; L295-R297 PolarHBondContact O-N 2.62Å
296N93.2Very high92.8Very high9 Ų940.8 Ų40.85%0.04819%0.194CC..THydrogen-bonded Turntrans5922.5-174.5-66-2.5000114.9L129 R294 L333L129-N296 PolarHBondContact O-ND2 2.87Å; R294-N296 VanDerWaalsContact C-N 3.31Å; R294-N296 PolarHBondContact O-N 3.35Å; N296-L333 WeakPolarHBondContact O-CB 3.3Å; N296-L333 PolarHBondContact O-N 2.91Å
297R93.5Very high91.3Very high96 Ų9645.4 Ų45.436%0.36222%0.224SC..EExtended strand (participates in β ladder)trans-117.4152.7172.1-56.8-159177.8161.78.6112.5I293 R294 L295 E330 Y331 D332I293-R297 WeakPolarHBondContact CA-O 3.44Å; R294-R297 PolarHBondContact N-O 2.92Å; R294-R297 WeakPolarHBondContact O-CA 3.46Å; R294-R297 WeakPolarHBondContact O-CB 3.37Å; R294-R297 PolarHBondContact O-N 3.01Å; L295-R297 PolarHBondContact O-N 2.62Å; R297-E330 WeakPolarHBondContact CD-OE1 3.05Å; R297-E330 IonicContact CZ-OE1 3.65Å; R297-E330 IonicContact NE-OE1 3.96Å; R297-E330 IonicContact NH1-OE1 3.19Å; R297-E330 PolarHBondContact NH1-OE1 3.28Å; R297-Y331 WeakPolarHBondContact CA-O 3.25Å; R297-D332 VanDerWaalsContact CD-OD1 3.29Å; R297-D332 WeakPolarHBondContact CD-OD1 3.31Å; R297-D332 WeakPolarHBondContact CG-OD1 3.38Å; R297-D332 IonicContact CZ-OD1 2.75Å; R297-D332 IonicContact NE-OD1 3.31Å; R297-D332 PolarHBondContact NE-OD1 2.68Å; R297-D332 IonicContact NH2-OD1 2.75Å
298V95Very high89.7Confident0 Ų049.1 Ų49.10%024%0.244CC..EExtended strand (participates in β ladder)trans-141.9139.1-179.964.10000111.4I287 F291 V300 E330 Y331 L333 I425I287-V298 HydrophobicContact CG2-CB 4.34Å; I287-V298 HydrophobicContact CG2-CG2 3.79Å; F291-V298 HydrophobicContact CB-CG2 3.2Å; F291-V298 HydrophobicContact CD2-CG2 4.46Å; F291-V298 HydrophobicContact CG-CG2 4.07Å; V298-V300 HydrophobicContact CG1-CG2 4.1Å; V298-V300 HydrophobicContact CG2-CG2 4.04Å; V298-E330 WeakPolarHBondContact O-CA 3.26Å; V298-Y331 PolarHBondContact N-O 2.74Å; V298-Y331 PolarHBondContact O-N 2.8Å; V298-L333 HydrophobicContact CB-CD1 4.32Å; V298-L333 HydrophobicContact CG1-CD1 4.05Å; V298-L333 HydrophobicContact CG1-CD2 4.17Å; V298-L333 HydrophobicContact CG1-CG 4.12Å; V298-I425 HydrophobicContact CG1-CD1 4.45Å
299H95.9Very high87.8Confident105 Ų10551.7 Ų51.749%0.48626%0.262SS..EExtended strand (participates in β ladder)trans-105.699.4177.9-72.778.3000109.8T328H299-T328 HydrophobicContact CB-CG2 3.92Å
300V95.7Very high85.8Confident0 Ų057.5 Ų57.50%029%0.293CS..EExtended strand (participates in β ladder)trans-93.9118.8-172.4-1790000110.3F291 V298 L302 T328 V329 Y331 I425F291-V300 HydrophobicContact CD1-CG1 4.5Å; F291-V300 HydrophobicContact CD2-CG2 4.45Å; F291-V300 HydrophobicContact CE1-CB 4.45Å; F291-V300 HydrophobicContact CE1-CG1 3.96Å; F291-V300 HydrophobicContact CE2-CG1 4.42Å; F291-V300 HydrophobicContact CG-CG2 4.39Å; F291-V300 HydrophobicContact CZ-CG1 3.93Å; V298-V300 HydrophobicContact CG1-CG2 4.1Å; V298-V300 HydrophobicContact CG2-CG2 4.04Å; V300-L302 HydrophobicContact CG1-CD2 4Å; V300-L302 PolarHBondContact O-N 3.39Å; V300-T328 CarbonylContact O-C 3.59Å; V300-T328 WeakPolarHBondContact O-CA 3.2Å; V300-V329 PolarHBondContact N-O 3.4Å; V300-V329 PolarHBondContact O-N 3.44Å; V300-Y331 HydrophobicContact CB-CD2 4.1Å; V300-Y331 HydrophobicContact CB-CE2 4.09Å; V300-Y331 HydrophobicContact CG2-CD2 3.7Å; V300-Y331 HydrophobicContact CG2-CE2 4.12Å; V300-I425 HydrophobicContact CG2-CG1 3.84Å
301N93.6Very high83.7Confident49 Ų4961.7 Ų61.726%0.26232%0.316SS..EExtended strand (participates in β ladder)trans-78.4103.1170.3-173.9-10.3000110.5D303 L304 S326N301-D303 PolarHBondContact O-N 3.38Å; N301-D303 VanDerWaalsContact O-N 3.17Å; N301-D303 WeakPolarHBondContact OD1-CB 3.24Å; N301-D303 PolarHBondContact OD1-N 3.16Å; N301-D303 PolarHBondContact OD1-OD2 3.04Å; N301-L304 HydrophobicContact CB-CD1 4.33Å; N301-L304 WeakPolarHBondContact O-CB 3.44Å; N301-L304 PolarHBondContact O-N 2.91Å; N301-S326 PolarHBondContact ND2-OG 2.82Å; N301-S326 VanDerWaalsContact ND2-OG 3.14Å; N301-S326 PolarHBondContact OD1-OG 3.48Å; N301-S326 VanDerWaalsContact OD1-OG 3.12Å
302L92Very high81.7Confident28 Ų2866.6 Ų66.615%0.14734%0.339CS..G310 helixtrans-69.6-7.1-178.8-61179.6000114.3V300 L304 A305 K327 V329 N424V300-L302 HydrophobicContact CG1-CD2 4Å; V300-L302 PolarHBondContact O-N 3.39Å; L302-L304 PolarHBondContact O-N 3.08Å; L302-A305 WeakPolarHBondContact O-CB 3.42Å; L302-A305 PolarHBondContact O-N 3.3Å; L302-K327 HydrophobicContact CB-CB 4.48Å; L302-K327 WeakPolarHBondContact CB-O 3.24Å; L302-K327 HydrophobicContact CD1-CD 4.04Å; L302-K327 HydrophobicContact CD1-CG 4.29Å; L302-K327 WeakPolarHBondContact CG-O 3.48Å; L302-K327 PolarHBondContact N-O 2.93Å; L302-K327 VanDerWaalsContact N-O 3.11Å; L302-V329 HydrophobicContact CD1-CB 4.39Å; L302-V329 HydrophobicContact CD1-CG2 3.54Å; L302-V329 HydrophobicContact CG-CG2 4.13Å; L302-N424 HydrophobicContact CD2-CB 3.85Å
303D89.7Confident79.6Confident39 Ų3970.7 Ų70.721%0.20936%0.355CS..G310 helixtrans-66.1-27.4171-66.4-52.1000112N301 A305 K306 S326 K327N301-D303 PolarHBondContact O-N 3.38Å; N301-D303 VanDerWaalsContact O-N 3.17Å; N301-D303 WeakPolarHBondContact OD1-CB 3.24Å; N301-D303 PolarHBondContact OD1-N 3.16Å; N301-D303 PolarHBondContact OD1-OD2 3.04Å; D303-A305 PolarHBondContact O-N 3.41Å; D303-K306 WeakPolarHBondContact O-CB 3.08Å; D303-K306 PolarHBondContact O-N 3.02Å; D303-K306 IonicContact OD1-NZ 3.74Å; D303-K306 PolarHBondContact OD1-NZ 2.89Å; D303-S326 WeakPolarHBondContact OD2-CA 3.45Å; D303-S326 VanDerWaalsContact OD2-CB 3.27Å; D303-S326 WeakPolarHBondContact OD2-CB 3.24Å; D303-S326 PolarHBondContact OD2-OG 3.02Å; D303-K327 PolarHBondContact OD2-N 3.12Å
304L87.4Confident77.2Confident69 Ų6975 Ų7536%0.36139%0.385SS..G310 helixtrans-66.6-15174.7-62.6170.8000113.1F291 N301 L302 K306 C428 N431 V432F291-L304 HydrophobicContact CE1-CD1 3.83Å; F291-L304 HydrophobicContact CZ-CD1 4.26Å; N301-L304 HydrophobicContact CB-CD1 4.33Å; N301-L304 WeakPolarHBondContact O-CB 3.44Å; N301-L304 PolarHBondContact O-N 2.91Å; L302-L304 PolarHBondContact O-N 3.08Å; L304-K306 VanDerWaalsContact C-N 3.25Å; L304-K306 PolarHBondContact O-N 2.85Å; L304-C428 HydrophobicContact CB-CB 4.02Å; L304-N431 WeakPolarHBondContact O-CB 3.1Å; L304-N431 PolarHBondContact O-ND2 2.81Å; L304-V432 HydrophobicContact CB-CG2 4.34Å; L304-V432 HydrophobicContact CD1-CG2 4.12Å; L304-V432 HydrophobicContact CD2-CG2 4.22Å; L304-V432 HydrophobicContact CG-CG2 4.47Å
305A81.8Confident74.7Confident32 Ų3278.1 Ų78.126%0.26440%0.397SS..G310 helixtrans-74.1-15171.300000113L302 D303 T427 N431L302-A305 WeakPolarHBondContact O-CB 3.42Å; L302-A305 PolarHBondContact O-N 3.3Å; D303-A305 PolarHBondContact O-N 3.41Å; A305-T427 HydrophobicContact CB-CG2 3.92Å; A305-N431 WeakPolarHBondContact CA-ND2 3.11Å; A305-N431 PolarHBondContact O-ND2 2.99Å
306K80.8Confident72.2Confident125 Ų12582.7 Ų82.754%0.54342%0.42SS..SBendtrans-80.9125.8176.3-61.8165-177.4164.70108.7D303 L304 I308D303-K306 WeakPolarHBondContact O-CB 3.08Å; D303-K306 PolarHBondContact O-N 3.02Å; D303-K306 IonicContact OD1-NZ 3.74Å; D303-K306 PolarHBondContact OD1-NZ 2.89Å; L304-K306 VanDerWaalsContact C-N 3.25Å; L304-K306 PolarHBondContact O-N 2.85Å; K306-I308 PolarHBondContact O-N 3.25Å
307P64.6Low69.4Low98 Ų9888.2 Ų88.264%0.63646%0.456SS*.PPolyproline II helixtrans-64126.4170.427.4-32.6000108.8S309P307-S309 PolarHBondContact O-N 3.3Å; P307-S309 VanDerWaalsContact O-N 3.16Å
308I61.7Low66.5Low79 Ų7991.3 Ų91.341%0.40548%0.475SS..PPolyproline II helixtrans-59.9118.5173.2-57.1173.1000107.2K306 E312 K313K306-I308 PolarHBondContact O-N 3.25Å; I308-E312 HydrophobicContact CG2-CB 4.23Å; I308-K313 HydrophobicContact CG2-CG 3.93Å
309S58Low63.6Low60 Ų6099.5 Ų99.542%0.4252%0.519SS..PPolyproline II helixtrans-69144.8173.254.10000109.6P307 D311 E312P307-S309 PolarHBondContact O-N 3.3Å; P307-S309 VanDerWaalsContact O-N 3.16Å; S309-D311 PolarHBondContact O-N 2.91Å; S309-E312 PolarHBondContact O-N 3.27Å
310D53.1Low60.7Low140 Ų140100.6 Ų100.675%0.74953%0.528SS*.THydrogen-bonded Turntrans-57-26.2-177.5-65-50.3000112.6E312D310-E312 PolarHBondContact O-N 3.32Å
311D51.3Low57.8Low122 Ų122106.5 Ų106.565%0.65257%0.569SS**THydrogen-bonded Turntrans-62.5-34.9173.9-66.7-42.9000114S309 S314S309-D311 PolarHBondContact O-N 2.91Å; D311-S314 PolarHBondContact O-OG 2.82Å
312E55.3Low55.2Low123 Ų123113.1 Ų113.158%0.57560%0.596SS**G310 helixtrans-77.3-28.5-176.2-75.4-161.6145.200113.1I308 S309 D310 S314 R315I308-E312 HydrophobicContact CG2-CB 4.23Å; S309-E312 PolarHBondContact O-N 3.27Å; D310-E312 PolarHBondContact O-N 3.32Å; E312-S314 PolarHBondContact O-N 3.24Å; E312-R315 PolarHBondContact O-N 2.54Å; E312-R315 VanDerWaalsContact O-N 3.12Å
313K50.9Low52.9Low134 Ų134121.4 Ų121.458%0.58363%0.631SS**G310 helixtrans-61-17.7176.3-71.2-176.7176.9176.60113.6I308I308-K313 HydrophobicContact CG2-CG 3.93Å
314S44.7Very low50.9Low94 Ų94123.8 Ų123.866%0.65765%0.651SS**G310 helixtrans-87.6-10.3-18072.80000114.7D311 E312D311-S314 PolarHBondContact O-OG 2.82Å; E312-S314 PolarHBondContact O-N 3.24Å
315R38.1Very low49.3Very low188 Ų188127.9 Ų127.971%0.70967%0.673SS**  trans-97.2108.8-174.2-67.1-175.5-179.9173.82.5111.4E312E312-R315 PolarHBondContact O-N 2.54Å; E312-R315 VanDerWaalsContact O-N 3.12Å
316I40Very low48.6Very low147 Ų147129.1 Ų129.175%0.75468%0.679SS**  trans-51.3132.3159.3-58.2171.2000107.3E318I316-E318 VanDerWaalsContact C-N 3.27Å; I316-E318 PolarHBondContact O-N 3.25Å
317P35.2Very low48.9Very low124 Ų124129.5 Ų129.581%0.80568%0.681SS**  trans-71.583.4-178.928.8-34.9000110.5
318E32.5Very low50.1Low161 Ų161128.6 Ų128.675%0.75267%0.674SS**  trans-62.1135.8166.4-72.3-167.1151.600109.7I316 N320I316-E318 VanDerWaalsContact C-N 3.27Å; I316-E318 PolarHBondContact O-N 3.25Å; E318-N320 VanDerWaalsContact C-N 3.27Å; E318-N320 PolarHBondContact O-N 3.19Å
319N34Very low51.7Low172 Ų172126.6 Ų126.692%0.9267%0.665SS**  trans-60.382.6179-88.6-36.1000112.2
320N33.4Very low53.5Low128 Ų128128.1 Ų128.168%0.68467%0.666SS**  trans-119.796.1166.9-100.3-55.5000108.9E318 K322E318-N320 VanDerWaalsContact C-N 3.27Å; E318-N320 PolarHBondContact O-N 3.19Å; N320-K322 PolarHBondContact O-N 3.06Å
321S36.6Very low55.4Low124 Ų124123.1 Ų123.187%0.86764%0.636SS**  trans-69.954.9179.160.20000113K323S321-K323 PolarHBondContact O-N 3.11Å
322K38.5Very low57.3Low188 Ų188120.7 Ų120.782%0.81762%0.623SS**  trans-77.2105.6156.4-77.3-178.9177.6174.50106.6N320 S324N320-K322 PolarHBondContact O-N 3.06Å; K322-S324 PolarHBondContact O-N 2.69Å
323K42.9Very low59.1Low203 Ų203114.8 Ų114.888%0.88360%0.596SS**  trans-60.486.1163-73.2-178.1174.9-177.80108.2S321 N325S321-K323 PolarHBondContact O-N 3.11Å; K323-N325 PolarHBondContact O-N 3.11Å
324S47.6Very low60.4Low89 Ų89109.6 Ų109.662%0.62258%0.576SS**  trans-54.5128.9156.2-174.70000106.2K322 S326K322-S324 PolarHBondContact O-N 2.69Å; S324-S326 PolarHBondContact O-N 2.79Å
325N55Low61.7Low154 Ų154106 Ų10682%0.82455%0.554SS**  trans-7084.4176.5-106.65.2000107.7K323 K327K323-N325 PolarHBondContact O-N 3.11Å; N325-K327 PolarHBondContact O-N 2.85Å; N325-K327 VanDerWaalsContact O-N 3.15Å
326S67.1Low63.4Low58 Ų58101.8 Ų101.841%0.40655%0.553SS.*  trans-66.4117.7-178.4-169.50000108.7N301 D303 S324 T328N301-S326 PolarHBondContact ND2-OG 2.82Å; N301-S326 VanDerWaalsContact ND2-OG 3.14Å; N301-S326 PolarHBondContact OD1-OG 3.48Å; N301-S326 VanDerWaalsContact OD1-OG 3.12Å; D303-S326 WeakPolarHBondContact OD2-CA 3.45Å; D303-S326 VanDerWaalsContact OD2-CB 3.27Å; D303-S326 WeakPolarHBondContact OD2-CB 3.24Å; D303-S326 PolarHBondContact OD2-OG 3.02Å; S324-S326 PolarHBondContact O-N 2.79Å; S326-T328 VanDerWaalsContact C-N 3.27Å; S326-T328 PolarHBondContact O-N 2.84Å
327K85.6Confident65.1Low134 Ų13497.5 Ų97.558%0.58354%0.535SS*.  trans-8872.3-167.4-166.1-175.7175.2-170.90109.8L302 D303 N325 V329L302-K327 HydrophobicContact CB-CB 4.48Å; L302-K327 WeakPolarHBondContact CB-O 3.24Å; L302-K327 HydrophobicContact CD1-CD 4.04Å; L302-K327 HydrophobicContact CD1-CG 4.29Å; L302-K327 WeakPolarHBondContact CG-O 3.48Å; L302-K327 PolarHBondContact N-O 2.93Å; L302-K327 VanDerWaalsContact N-O 3.11Å; D303-K327 PolarHBondContact OD2-N 3.12Å; N325-K327 PolarHBondContact O-N 2.85Å; N325-K327 VanDerWaalsContact O-N 3.15Å; K327-V329 HydrophobicContact CG-CG2 4.34Å
328T91.6Very high67.6Low78 Ų7891.6 Ų91.648%0.47950%0.497SS..EExtended strand (participates in β ladder)trans-70.9132.8168.3-520000109.8H299 V300 S326H299-T328 HydrophobicContact CB-CG2 3.92Å; V300-T328 CarbonylContact O-C 3.59Å; V300-T328 WeakPolarHBondContact O-CA 3.2Å; S326-T328 VanDerWaalsContact C-N 3.27Å; S326-T328 PolarHBondContact O-N 2.84Å
329V94.9Very high70.3Confident38 Ų3887.2 Ų87.223%0.2347%0.474CS..EExtended strand (participates in β ladder)trans-127.4130.2177.3179.90000109.2V300 L302 K327 Y331V300-V329 PolarHBondContact N-O 3.4Å; V300-V329 PolarHBondContact O-N 3.44Å; L302-V329 HydrophobicContact CD1-CB 4.39Å; L302-V329 HydrophobicContact CD1-CG2 3.54Å; L302-V329 HydrophobicContact CG-CG2 4.13Å; K327-V329 HydrophobicContact CG-CG2 4.34Å; V329-Y331 HydrophobicContact CB-CE2 4.08Å; V329-Y331 HydrophobicContact CG1-CD1 4.41Å; V329-Y331 HydrophobicContact CG1-CD2 4.38Å; V329-Y331 HydrophobicContact CG1-CE1 3.88Å; V329-Y331 HydrophobicContact CG1-CE2 3.87Å
330E94.6Very high73.1Confident92 Ų9279.3 Ų79.343%0.4343%0.431SS..EExtended strand (participates in β ladder)trans-79.8136.2172.3-172.6-179.6-17600109.7R297 V298R297-E330 WeakPolarHBondContact CD-OE1 3.05Å; R297-E330 IonicContact CZ-OE1 3.65Å; R297-E330 IonicContact NE-OE1 3.96Å; R297-E330 IonicContact NH1-OE1 3.19Å; R297-E330 PolarHBondContact NH1-OE1 3.28Å; V298-E330 WeakPolarHBondContact O-CA 3.26Å
331Y94.2Very high76Confident34 Ų3473.2 Ų73.213%0.13340%0.398CS..EExtended strand (participates in β ladder)trans-132.1136.2176-70.4-63.1000110.9R297 V298 V300 V329 M421 N424 I425R297-Y331 WeakPolarHBondContact CA-O 3.25Å; V298-Y331 PolarHBondContact N-O 2.74Å; V298-Y331 PolarHBondContact O-N 2.8Å; V300-Y331 HydrophobicContact CB-CD2 4.1Å; V300-Y331 HydrophobicContact CB-CE2 4.09Å; V300-Y331 HydrophobicContact CG2-CD2 3.7Å; V300-Y331 HydrophobicContact CG2-CE2 4.12Å; V329-Y331 HydrophobicContact CB-CE2 4.08Å; V329-Y331 HydrophobicContact CG1-CD1 4.41Å; V329-Y331 HydrophobicContact CG1-CD2 4.38Å; V329-Y331 HydrophobicContact CG1-CE1 3.88Å; V329-Y331 HydrophobicContact CG1-CE2 3.87Å; Y331-M421 HydrophobicContact CD1-CB 3.84Å; Y331-M421 HydrophobicContact CD1-CG 3.49Å; Y331-M421 VanDerWaalsContact CD1-CG 3.49Å; Y331-M421 HydrophobicContact CD1-SD 3.89Å; Y331-M421 HydrophobicContact CD2-CG 4.27Å; Y331-M421 HydrophobicContact CE1-CB 3.87Å; Y331-M421 HydrophobicContact CE1-CG 3.98Å; Y331-M421 HydrophobicContact CG-CB 4.46Å; Y331-M421 HydrophobicContact CG-CG 3.66Å; Y331-M421 HydrophobicContact CG-SD 4.06Å; Y331-N424 PolarHBondContact OH-ND2 3.45Å; Y331-I425 HydrophobicContact CD2-CD1 4.47Å; Y331-I425 HydrophobicContact CD2-CG1 4.44Å
332D91.2Very high78.6Confident71 Ų7173.1 Ų73.138%0.3838%0.379SS..EExtended strand (participates in β ladder)trans-92.2122.2171.5-64.5-62.8000110.6R297 T334R297-D332 VanDerWaalsContact CD-OD1 3.29Å; R297-D332 WeakPolarHBondContact CD-OD1 3.31Å; R297-D332 WeakPolarHBondContact CG-OD1 3.38Å; R297-D332 IonicContact CZ-OD1 2.75Å; R297-D332 IonicContact NE-OD1 3.31Å; R297-D332 PolarHBondContact NE-OD1 2.68Å; R297-D332 IonicContact NH2-OD1 2.75Å; D332-T334 HydrophobicContact CB-CG2 4.34Å
333L91.9Very high81.1Confident0 Ų068 Ų680%036%0.361CS..  trans-9592.7-179.9-56.9173.6000109.5I287 I293 N296 V298 W341 M421 I425I287-L333 HydrophobicContact CG2-CD1 4.46Å; I293-L333 HydrophobicContact CD1-CD1 3.95Å; I293-L333 HydrophobicContact CG1-CD1 4.05Å; I293-L333 HydrophobicContact CG2-CD1 4.22Å; N296-L333 WeakPolarHBondContact O-CB 3.3Å; N296-L333 PolarHBondContact O-N 2.91Å; V298-L333 HydrophobicContact CB-CD1 4.32Å; V298-L333 HydrophobicContact CG1-CD1 4.05Å; V298-L333 HydrophobicContact CG1-CD2 4.17Å; V298-L333 HydrophobicContact CG1-CG 4.12Å; L333-W341 HydrophobicContact CB-CD2 4.18Å; L333-W341 HydrophobicContact CB-CZ2 4.23Å; L333-W341 HydrophobicContact CD1-CH2 3.83Å; L333-W341 HydrophobicContact CD1-CZ2 4.01Å; L333-W341 HydrophobicContact CD1-CZ3 4.23Å; L333-W341 HydrophobicContact CD2-CE3 4.32Å; L333-W341 HydrophobicContact CD2-CZ3 4.44Å; L333-M421 HydrophobicContact CD2-CE 4.19Å; L333-M421 HydrophobicContact CD2-SD 4.45Å; L333-I425 HydrophobicContact CD2-CD1 4.23Å
334T78.4Confident83.5Confident25 Ų2560.9 Ų60.915%0.15333%0.33CS..  trans-119.5106.6-167.942.70000112.7D332 S336 C337 D338D332-T334 HydrophobicContact CB-CG2 4.34Å; T334-S336 PolarHBondContact O-N 3.08Å; T334-S336 VanDerWaalsContact O-N 3.12Å; T334-C337 PolarHBondContact OG1-SG 2.65Å; T334-D338 WeakPolarHBondContact O-CB 3.48Å; T334-D338 PolarHBondContact O-N 2.87Å
335G71.9Confident85.8Confident19 Ų1958.1 Ų58.120%0.19631%0.306CS..THydrogen-bonded Turntrans-66-12.9-175.600000116.4
336S74.9Confident87.5Confident98 Ų9851.6 Ų51.669%0.68527%0.274SS*.THydrogen-bonded Turntrans-76.8-39.4-178.357.80000113.4T334T334-S336 PolarHBondContact O-N 3.08Å; T334-S336 VanDerWaalsContact O-N 3.12Å
337C75.2Confident88.8Confident58 Ų5849.9 Ų49.939%0.39226%0.264SS..THydrogen-bonded Turntrans-104.8-22174.860.10000113.7T334 E414T334-C337 PolarHBondContact OG1-SG 2.65Å; C337-E414 HydrophobicContact CB-CG 4.28Å; C337-E414 PolarHBondContact SG-OE1 3.45Å
338D88.6Confident89.1Confident0 Ų044.8 Ų44.80%025%0.247CC..  trans-92.5107.7-176.5-156.5-46.3000113.2T334 I340 W341 R342 C418 M421 H422T334-D338 WeakPolarHBondContact O-CB 3.48Å; T334-D338 PolarHBondContact O-N 2.87Å; D338-I340 PolarHBondContact OD1-N 2.87Å; D338-W341 HydrophobicContact CB-CB 3.93Å; D338-W341 PolarHBondContact OD1-N 3.03Å; D338-R342 VanDerWaalsContact O-CB 3.31Å; D338-R342 WeakPolarHBondContact O-CB 3.25Å; D338-R342 PolarHBondContact O-N 3.2Å; D338-R342 VanDerWaalsContact O-N 3.09Å; D338-C418 WeakPolarHBondContact OD2-CB 3.42Å; D338-C418 PolarHBondContact OD2-SG 3.38Å; D338-M421 WeakPolarHBondContact OD2-CE 3.43Å; D338-H422 VanDerWaalsContact CG-NE2 3.27Å; D338-H422 IonicContact OD1-CD2 3.52Å; D338-H422 PolarHBondContact OD1-CD2 3.22Å; D338-H422 IonicContact OD1-NE2 3.65Å; D338-H422 PolarHBondContact OD1-NE2 3.49Å; D338-H422 IonicContact OD2-CD2 3.27Å; D338-H422 PolarHBondContact OD2-CD2 2.98Å; D338-H422 IonicContact OD2-NE2 2.87Å; D338-H422 PolarHBondContact OD2-NE2 2.99Å
339R88.6Confident89.2Confident69 Ų6941.3 Ų41.326%0.2623%0.225SC..Hα-helixtrans-63.6-41.5175.4-173.9174.780.8131.21.9112D343 E358 E359R339-D343 WeakPolarHBondContact CG-OD2 3.45Å; R339-D343 VanDerWaalsContact O-CB 3.25Å; R339-D343 WeakPolarHBondContact O-CB 3.21Å; R339-D343 VanDerWaalsContact O-CG 3.26Å; R339-D343 PolarHBondContact O-N 3.33Å; R339-E358 IonicContact CZ-OE1 2.8Å; R339-E358 IonicContact NH1-OE1 3.53Å; R339-E358 IonicContact NH2-OE1 3.52Å; R339-E358 PolarHBondContact NH2-OE1 2.85Å; R339-E359 IonicContact CZ-OE2 3.89Å; R339-E359 IonicContact NE-OE2 2.75Å; R339-E359 PolarHBondContact NE-OE2 3.4Å; R339-E359 IonicContact NH2-OE1 2.76Å; R339-E359 IonicContact NH2-OE2 3.13Å; R339-E359 PolarHBondContact NH2-OE2 3.04Å
340I92.1Very high89Confident5 Ų539.7 Ų39.73%0.02622%0.215CC..Hα-helixtrans-71.2-44.5-173.7-59.3176.3000108.7D338 F344 V352 I356 E359 L419 H422D338-I340 PolarHBondContact OD1-N 2.87Å; I340-F344 WeakPolarHBondContact O-CA 3.49Å; I340-F344 VanDerWaalsContact O-CB 3.29Å; I340-F344 WeakPolarHBondContact O-CB 3.35Å; I340-F344 PolarHBondContact O-N 3.01Å; I340-V352 HydrophobicContact CG2-CG1 4.25Å; I340-I356 HydrophobicContact CD1-CG1 4.12Å; I340-I356 HydrophobicContact CG2-CG1 4.43Å; I340-E359 HydrophobicContact CD1-CB 4.38Å; I340-E359 HydrophobicContact CD1-CG 4.26Å; I340-L419 HydrophobicContact CD1-CD1 3.84Å; I340-H422 HydrophobicContact CD1-CB 4.11Å; I340-H422 HydrophobicContact CG2-CB 4.26Å
341W94.2Very high88.9Confident0 Ų038.2 Ų38.20%021%0.211CC..Hα-helixtrans-60.2-54.8174.3-170.6-110.9000112.2E130 Y283 Q284 I287 I293 L333 D338 D343 R345 H422E130-W341 PolarHBondContact OE1-NE1 3.24Å; Y283-W341 HydrophobicContact CD1-CE3 4.24Å; Y283-W341 HydrophobicContact CD1-CZ3 4.04Å; Y283-W341 HydrophobicContact CE1-CE3 4.15Å; Y283-W341 HydrophobicContact CE1-CZ3 4.16Å; Q284-W341 HydrophobicContact CB-CH2 3.97Å; Q284-W341 HydrophobicContact CG-CH2 3.8Å; Q284-W341 HydrophobicContact CG-CZ2 4.07Å; I287-W341 HydrophobicContact CD1-CH2 4.3Å; I287-W341 HydrophobicContact CD1-CZ3 3.65Å; I293-W341 HydrophobicContact CD1-CH2 3.89Å; I293-W341 HydrophobicContact CD1-CZ2 4.39Å; L333-W341 HydrophobicContact CB-CD2 4.18Å; L333-W341 HydrophobicContact CB-CZ2 4.23Å; L333-W341 HydrophobicContact CD1-CH2 3.83Å; L333-W341 HydrophobicContact CD1-CZ2 4.01Å; L333-W341 HydrophobicContact CD1-CZ3 4.23Å; L333-W341 HydrophobicContact CD2-CE3 4.32Å; L333-W341 HydrophobicContact CD2-CZ3 4.44Å; D338-W341 HydrophobicContact CB-CB 3.93Å; D338-W341 PolarHBondContact OD1-N 3.03Å; W341-D343 PolarHBondContact O-N 3.02Å; W341-R345 HydrophobicContact CD2-CB 3.97Å; W341-R345 HydrophobicContact CE3-CB 3.99Å; W341-R345 HydrophobicContact CH2-CB 4.2Å; W341-R345 HydrophobicContact CZ2-CB 4.15Å; W341-R345 HydrophobicContact CZ3-CB 4.09Å; W341-R345 WeakPolarHBondContact O-CB 3.46Å; W341-R345 WeakPolarHBondContact O-CG 3.27Å; W341-R345 PolarHBondContact O-N 3.01Å; W341-H422 AromaticContact CE3-CE1 3.98Å
342R91.4Very high88.9Confident123 Ų12336.6 Ų36.646%0.46420%0.204SC..Hα-helixtrans-59.8-45.1-175.3-172-170.564-140.1-8.8112.6D338D338-R342 VanDerWaalsContact O-CB 3.31Å; D338-R342 WeakPolarHBondContact O-CB 3.25Å; D338-R342 PolarHBondContact O-N 3.2Å; D338-R342 VanDerWaalsContact O-N 3.09Å
343D91.2Very high88.9Confident80 Ų8034.6 Ų34.643%0.42820%0.197SC..Hα-helixtrans-88.5-23.8-170.5-55.5-10.9000112.1R339 W341R339-D343 WeakPolarHBondContact CG-OD2 3.45Å; R339-D343 VanDerWaalsContact O-CB 3.25Å; R339-D343 WeakPolarHBondContact O-CB 3.21Å; R339-D343 VanDerWaalsContact O-CG 3.26Å; R339-D343 PolarHBondContact O-N 3.33Å; W341-D343 PolarHBondContact O-N 3.02Å
344F94.2Very high88.9Confident53 Ų5338.8 Ų38.823%0.23222%0.217CC..Hα-helixtrans-125.30.8-171.9-63.1-92.5000116.6I340 G346 A347 V352 A355I340-F344 WeakPolarHBondContact O-CA 3.49Å; I340-F344 VanDerWaalsContact O-CB 3.29Å; I340-F344 WeakPolarHBondContact O-CB 3.35Å; I340-F344 PolarHBondContact O-N 3.01Å; F344-G346 PolarHBondContact O-N 3.39Å; F344-G346 VanDerWaalsContact O-N 3.15Å; F344-A347 HydrophobicContact CB-CB 4.22Å; F344-A347 HydrophobicContact CD1-CB 4.03Å; F344-A347 WeakPolarHBondContact O-CB 3.5Å; F344-A347 PolarHBondContact O-N 3.13Å; F344-V352 HydrophobicContact CB-CG2 3.93Å; F344-A355 HydrophobicContact CD1-CB 3.93Å; F344-A355 HydrophobicContact CD2-CB 3.83Å; F344-A355 HydrophobicContact CE1-CB 3.67Å; F344-A355 HydrophobicContact CE2-CB 3.57Å; F344-A355 HydrophobicContact CG-CB 4.01Å; F344-A355 HydrophobicContact CZ-CB 3.49Å; F344-A355 VanDerWaalsContact CZ-CB 3.49Å
345R94.2Very high89.6Confident32 Ų3237.9 Ų37.912%0.12121%0.212CC..THydrogen-bonded Turntrans-50.5-41.1177.562.8175.1-171.2-116.39.4113.8E130 D132 Y283 Q284 W341 Y660E130-R345 WeakPolarHBondContact OE1-CD 3.31Å; E130-R345 IonicContact OE1-CZ 3.19Å; E130-R345 IonicContact OE1-NE 2.91Å; E130-R345 IonicContact OE1-NH1 2.72Å; E130-R345 IonicContact OE2-CZ 3.85Å; E130-R345 IonicContact OE2-NE 3.48Å; E130-R345 IonicContact OE2-NH1 2.68Å; E130-R345 PolarHBondContact OE2-NH1 2.85Å; E130-R345 IonicContact OE2-NH2 3.47Å; D132-R345 IonicContact OD1-NH2 2.88Å; Y283-R345 PolarHBondContact N-O 2.85Å; Q284-R345 HydrophobicContact CB-CB 4.19Å; Q284-R345 VanDerWaalsContact CB-O 3.25Å; Q284-R345 WeakPolarHBondContact CB-O 3.44Å; Q284-R345 PolarHBondContact N-O 3.18Å; W341-R345 HydrophobicContact CD2-CB 3.97Å; W341-R345 HydrophobicContact CE3-CB 3.99Å; W341-R345 HydrophobicContact CH2-CB 4.2Å; W341-R345 HydrophobicContact CZ2-CB 4.15Å; W341-R345 HydrophobicContact CZ3-CB 4.09Å; W341-R345 WeakPolarHBondContact O-CB 3.46Å; W341-R345 WeakPolarHBondContact O-CG 3.27Å; W341-R345 PolarHBondContact O-N 3.01Å; R345-Y660 PolarHBondContact NH2-OH 2.94Å
346G92.5Very high90.7Very high16 Ų1637.7 Ų37.717%0.16521%0.206CC..THydrogen-bonded Turntrans-91.81.1-179.800000115.1F344 Q661F344-G346 PolarHBondContact O-N 3.39Å; F344-G346 VanDerWaalsContact O-N 3.15Å; G346-Q661 VanDerWaalsContact CA-CD 3.47Å
347A93.1Very high91.4Very high22 Ų2239.3 Ų39.318%0.18220%0.202CC..SBendtrans-82.2161.3-179.100000111.3S282 Y283 F344 D351 V352S282-A347 VanDerWaalsContact CA-O 3.28Å; S282-A347 WeakPolarHBondContact CA-O 3.32Å; Y283-A347 PolarHBondContact N-O 2.83Å; F344-A347 HydrophobicContact CB-CB 4.22Å; F344-A347 HydrophobicContact CD1-CB 4.03Å; F344-A347 WeakPolarHBondContact O-CB 3.5Å; F344-A347 PolarHBondContact O-N 3.13Å; A347-D351 HydrophobicContact CB-CB 4.21Å; A347-V352 HydrophobicContact CB-CG2 4.25Å
348A92.7Very high92.2Very high27 Ų2741.2 Ų41.222%0.22321%0.206CC..BIsolated β-bridgetrans-65.4148.1173.600000110.1S350 D351 V352 I595A348-S350 PolarHBondContact O-N 2.91Å; A348-D351 PolarHBondContact O-N 3.43Å; A348-V352 PolarHBondContact O-N 2.89Å; A348-I595 HydrophobicContact CB-CD1 4.35Å
349F92.7Very high92.3Very high5 Ų541.3 Ų41.32%0.02221%0.206CC..Hα-helixtrans-55.1-29.7-178.5-175.5-108000114.4L281 Y283 L286 A353 A426 L429 A430 I433 L588 M591L281-F349 PolarHBondContact O-N 3.25Å; L281-F349 VanDerWaalsContact O-N 3.14Å; Y283-F349 HydrophobicContact CD2-CD2 4.19Å; L286-F349 HydrophobicContact CD1-CB 3.79Å; L286-F349 HydrophobicContact CD1-CD2 4.14Å; L286-F349 HydrophobicContact CD1-CG 4.11Å; F349-A353 PolarHBondContact O-N 3.34Å; F349-A353 VanDerWaalsContact O-N 3.13Å; F349-A426 HydrophobicContact CE2-CB 4.18Å; F349-A426 HydrophobicContact CZ-CB 4.38Å; F349-A426 WeakPolarHBondContact CZ-O 3.31Å; F349-L429 HydrophobicContact CD2-CD1 4.41Å; F349-L429 HydrophobicContact CE2-CB 3.8Å; F349-L429 HydrophobicContact CE2-CD1 4.04Å; F349-L429 HydrophobicContact CZ-CB 4.05Å; F349-A430 HydrophobicContact CE1-CB 4.09Å; F349-A430 HydrophobicContact CZ-CB 3.98Å; F349-I433 HydrophobicContact CD1-CD1 3.77Å; F349-I433 HydrophobicContact CD2-CD1 4.38Å; F349-I433 HydrophobicContact CE1-CD1 3.95Å; F349-I433 HydrophobicContact CG-CD1 4Å; F349-I433 HydrophobicContact CZ-CD1 4.35Å; F349-L588 HydrophobicContact CD1-CD2 3.93Å; F349-L588 HydrophobicContact CE1-CD2 4.05Å; F349-M591 HydrophobicContact CB-CE 4.4Å
350S90.5Very high92.4Very high4 Ų439.7 Ų39.73%0.02820%0.204CC..Hα-helixtrans-57.1-47.517246.90000112.4A348 V352 A353 E354A348-S350 PolarHBondContact O-N 2.91Å; S350-V352 VanDerWaalsContact C-N 3.31Å; S350-V352 PolarHBondContact O-N 3Å; S350-A353 WeakPolarHBondContact O-CB 3.16Å; S350-A353 PolarHBondContact O-N 3.28Å; S350-E354 PolarHBondContact O-N 2.81Å; S350-E354 VanDerWaalsContact O-N 3.12Å
351D93.7Very high92.3Very high62 Ų6242.4 Ų42.433%0.33222%0.221SC..Hα-helixtrans-72.7-33.1-171-45-19.1000109.7A347 A348 E354 A355A347-D351 HydrophobicContact CB-CB 4.21Å; A348-D351 PolarHBondContact O-N 3.43Å; D351-E354 PolarHBondContact O-N 2.91Å; D351-A355 WeakPolarHBondContact O-CB 3.46Å; D351-A355 PolarHBondContact O-N 3.3Å
352V93.3Very high92Very high0 Ų045.3 Ų45.30%024%0.236CC..Hα-helixtrans-68.1-40.1173.7-171.20000111.5Y283 I340 F344 A347 A348 S350 E354 A355 I356Y283-V352 HydrophobicContact CD1-CG1 3.88Å; Y283-V352 HydrophobicContact CD1-CG2 4.23Å; Y283-V352 HydrophobicContact CD2-CB 4.42Å; Y283-V352 HydrophobicContact CD2-CG1 4Å; Y283-V352 HydrophobicContact CD2-CG2 4.34Å; Y283-V352 HydrophobicContact CE1-CG1 3.88Å; Y283-V352 HydrophobicContact CE2-CG1 3.99Å; Y283-V352 HydrophobicContact CG-CB 4.35Å; Y283-V352 HydrophobicContact CG-CG1 3.94Å; Y283-V352 HydrophobicContact CG-CG2 3.86Å; I340-V352 HydrophobicContact CG2-CG1 4.25Å; F344-V352 HydrophobicContact CB-CG2 3.93Å; A347-V352 HydrophobicContact CB-CG2 4.25Å; A348-V352 PolarHBondContact O-N 2.89Å; S350-V352 VanDerWaalsContact C-N 3.31Å; S350-V352 PolarHBondContact O-N 3Å; V352-E354 VanDerWaalsContact C-N 3.27Å; V352-E354 PolarHBondContact O-N 3.19Å; V352-A355 PolarHBondContact O-N 3.18Å; V352-I356 HydrophobicContact CG1-CD1 4.07Å; V352-I356 WeakPolarHBondContact O-CB 3.12Å; V352-I356 VanDerWaalsContact O-CG1 3.3Å; V352-I356 WeakPolarHBondContact O-CG1 3.39Å; V352-I356 PolarHBondContact O-N 3.01Å
353A91.1Very high91.8Very high28 Ų2840.2 Ų40.223%0.23122%0.217CC..Hα-helixtrans-63.1-35.517500000111.9F349 S350 H357 L588F349-A353 PolarHBondContact O-N 3.34Å; F349-A353 VanDerWaalsContact O-N 3.13Å; S350-A353 WeakPolarHBondContact O-CB 3.16Å; S350-A353 PolarHBondContact O-N 3.28Å; A353-H357 PolarHBondContact O-N 2.75Å; A353-H357 VanDerWaalsContact O-N 3.14Å; A353-L588 HydrophobicContact CB-CD1 4.03Å
354E92.8Very high91.6Very high89 Ų8943 Ų4342%0.41623%0.226SC..Hα-helixtrans-69.2-44.6173.6-69.3172.7-121.400112S350 D351 V352 I356 H357 E358 R592S350-E354 PolarHBondContact O-N 2.81Å; S350-E354 VanDerWaalsContact O-N 3.12Å; D351-E354 PolarHBondContact O-N 2.91Å; V352-E354 VanDerWaalsContact C-N 3.27Å; V352-E354 PolarHBondContact O-N 3.19Å; E354-I356 PolarHBondContact O-N 2.55Å; E354-H357 WeakPolarHBondContact O-CB 3.49Å; E354-H357 PolarHBondContact O-N 3.16Å; E354-H357 VanDerWaalsContact O-N 3.09Å; E354-E358 PolarHBondContact O-N 2.79Å; E354-R592 IonicContact OE1-CZ 3.61Å; E354-R592 IonicContact OE1-NE 3.57Å; E354-R592 PolarHBondContact OE1-NE 3.44Å; E354-R592 IonicContact OE1-NH2 2.76Å; E354-R592 PolarHBondContact OE1-NH2 2.62Å; E354-R592 IonicContact OE2-CZ 3.95Å; E354-R592 IonicContact OE2-NH2 3.77Å; E354-R592 PolarHBondContact OE2-NH2 3.31Å
355A93.6Very high91.3Very high5 Ų543.2 Ų43.24%0.04123%0.23CC..Hα-helixtrans-60.6-42.317600000112.7F344 D351 V352 H357 E358 E359F344-A355 HydrophobicContact CD1-CB 3.93Å; F344-A355 HydrophobicContact CD2-CB 3.83Å; F344-A355 HydrophobicContact CE1-CB 3.67Å; F344-A355 HydrophobicContact CE2-CB 3.57Å; F344-A355 HydrophobicContact CG-CB 4.01Å; F344-A355 HydrophobicContact CZ-CB 3.49Å; F344-A355 VanDerWaalsContact CZ-CB 3.49Å; D351-A355 WeakPolarHBondContact O-CB 3.46Å; D351-A355 PolarHBondContact O-N 3.3Å; V352-A355 PolarHBondContact O-N 3.18Å; A355-H357 VanDerWaalsContact C-N 3.32Å; A355-H357 PolarHBondContact O-N 3.3Å; A355-E358 PolarHBondContact O-N 3.47Å; A355-E359 WeakPolarHBondContact O-CB 3.41Å; A355-E359 PolarHBondContact O-N 3.04Å
356I93Very high90.8Very high16 Ų1643.8 Ų43.88%0.08223%0.232CC..Hα-helixtrans-61-41.5173-70.8167.5000110.3I340 V352 E354 E359 V360 L419 H422 A426I340-I356 HydrophobicContact CD1-CG1 4.12Å; I340-I356 HydrophobicContact CG2-CG1 4.43Å; V352-I356 HydrophobicContact CG1-CD1 4.07Å; V352-I356 WeakPolarHBondContact O-CB 3.12Å; V352-I356 VanDerWaalsContact O-CG1 3.3Å; V352-I356 WeakPolarHBondContact O-CG1 3.39Å; V352-I356 PolarHBondContact O-N 3.01Å; E354-I356 PolarHBondContact O-N 2.55Å; I356-E359 PolarHBondContact O-N 3.22Å; I356-V360 HydrophobicContact CG2-CG2 4.43Å; I356-V360 WeakPolarHBondContact O-CB 3.41Å; I356-V360 VanDerWaalsContact O-CG2 3.29Å; I356-V360 WeakPolarHBondContact O-CG2 3.37Å; I356-V360 PolarHBondContact O-N 2.91Å; I356-L419 HydrophobicContact CG2-CD1 4Å; I356-H422 HydrophobicContact CD1-CB 4.13Å; I356-H422 HydrophobicContact CG1-CB 4.32Å; I356-A426 HydrophobicContact CD1-CB 3.57Å
357H91.6Very high90.4Very high131 Ų13147.2 Ų47.261%0.60625%0.247SC*.Hα-helixtrans-67.1-40.1178.9-171.376.2000113.2A353 E354 A355 T361A353-H357 PolarHBondContact O-N 2.75Å; A353-H357 VanDerWaalsContact O-N 3.14Å; E354-H357 WeakPolarHBondContact O-CB 3.49Å; E354-H357 PolarHBondContact O-N 3.16Å; E354-H357 VanDerWaalsContact O-N 3.09Å; A355-H357 VanDerWaalsContact C-N 3.32Å; A355-H357 PolarHBondContact O-N 3.3Å; H357-T361 PolarHBondContact O-N 2.95Å; H357-T361 VanDerWaalsContact O-N 3.12Å; H357-T361 PolarHBondContact O-OG1 3.25Å
358E91.6Very high90.1Very high98 Ų9852.5 Ų52.546%0.45826%0.262SS..Hα-helixtrans-58.9-48.4171.2-171.5-161.2120.300110.4R339 E354 A355 V360 T361 I362R339-E358 IonicContact CZ-OE1 2.8Å; R339-E358 IonicContact NH1-OE1 3.53Å; R339-E358 IonicContact NH2-OE1 3.52Å; R339-E358 PolarHBondContact NH2-OE1 2.85Å; E354-E358 PolarHBondContact O-N 2.79Å; A355-E358 PolarHBondContact O-N 3.47Å; E358-V360 PolarHBondContact O-N 3.27Å; E358-T361 WeakPolarHBondContact O-CA 3.28Å; E358-T361 WeakPolarHBondContact O-CB 3.38Å; E358-T361 PolarHBondContact O-N 2.93Å; E358-I362 HydrophobicContact CG-CD1 4.04Å; E358-I362 WeakPolarHBondContact O-CG1 3.45Å; E358-I362 PolarHBondContact O-N 2.9Å
359E89.3Confident89.5Confident3 Ų357.2 Ų57.21%0.01427%0.274CS..Hα-helixtrans-64.4-41.3-178.5-163.665.9-98.500112.9R339 I340 A355 I356 T361 I362 L363 R415 L419R339-E359 IonicContact CZ-OE2 3.89Å; R339-E359 IonicContact NE-OE2 2.75Å; R339-E359 PolarHBondContact NE-OE2 3.4Å; R339-E359 IonicContact NH2-OE1 2.76Å; R339-E359 IonicContact NH2-OE2 3.13Å; R339-E359 PolarHBondContact NH2-OE2 3.04Å; I340-E359 HydrophobicContact CD1-CB 4.38Å; I340-E359 HydrophobicContact CD1-CG 4.26Å; A355-E359 WeakPolarHBondContact O-CB 3.41Å; A355-E359 PolarHBondContact O-N 3.04Å; I356-E359 PolarHBondContact O-N 3.22Å; E359-T361 PolarHBondContact O-N 3.3Å; E359-I362 PolarHBondContact O-N 3.07Å; E359-L363 PolarHBondContact O-N 3.33Å; E359-R415 IonicContact OE1-CZ 3.34Å; E359-R415 IonicContact OE1-NE 2.68Å; E359-R415 PolarHBondContact OE1-NE 3.29Å; E359-R415 IonicContact OE1-NH2 3.11Å; E359-R415 PolarHBondContact OE1-NH2 3.33Å; E359-R415 IonicContact OE2-CZ 2.66Å; E359-R415 IonicContact OE2-NE 3.93Å; E359-R415 IonicContact OE2-NH2 3.38Å; E359-R415 PolarHBondContact OE2-NH2 3.37Å; E359-L419 HydrophobicContact CB-CD1 3.77Å; E359-L419 HydrophobicContact CB-CD2 4.38Å; E359-L419 HydrophobicContact CG-CB 4.46Å; E359-L419 HydrophobicContact CG-CD1 3.82Å; E359-L419 HydrophobicContact CG-CD2 4.1Å; E359-L419 HydrophobicContact CG-CG 4.35Å
360V90.7Very high88.8Confident35 Ų3558.4 Ų58.421%0.21228%0.28CS..Hα-helixtrans-56.7-38.6170.4167.20000111.2I356 E358 K364 L419I356-V360 HydrophobicContact CG2-CG2 4.43Å; I356-V360 WeakPolarHBondContact O-CB 3.41Å; I356-V360 VanDerWaalsContact O-CG2 3.29Å; I356-V360 WeakPolarHBondContact O-CG2 3.37Å; I356-V360 PolarHBondContact O-N 2.91Å; E358-V360 PolarHBondContact O-N 3.27Å; V360-K364 HydrophobicContact CG1-CD 3.93Å; V360-K364 WeakPolarHBondContact O-CB 3.31Å; V360-K364 VanDerWaalsContact O-CG 3.26Å; V360-K364 WeakPolarHBondContact O-CG 3.33Å; V360-K364 PolarHBondContact O-N 3.38Å; V360-K364 VanDerWaalsContact O-N 3.12Å; V360-L419 HydrophobicContact CB-CD2 4.37Å; V360-L419 HydrophobicContact CG2-CD1 4.18Å; V360-L419 HydrophobicContact CG2-CD2 3.74Å; V360-L419 HydrophobicContact CG2-CG 4.27Å
361T90.9Very high88.3Confident62 Ų6262 Ų6238%0.3830%0.304SS..Hα-helixtrans-70.9-45.3-179.9-56.50000111H357 E358 E359 L363 K364 D365H357-T361 PolarHBondContact O-N 2.95Å; H357-T361 VanDerWaalsContact O-N 3.12Å; H357-T361 PolarHBondContact O-OG1 3.25Å; E358-T361 WeakPolarHBondContact O-CA 3.28Å; E358-T361 WeakPolarHBondContact O-CB 3.38Å; E358-T361 PolarHBondContact O-N 2.93Å; E359-T361 PolarHBondContact O-N 3.3Å; T361-L363 PolarHBondContact O-N 3.15Å; T361-K364 PolarHBondContact O-N 3.11Å; T361-D365 PolarHBondContact O-N 3.4Å
362I87.9Confident87.8Confident60 Ų6063.7 Ų63.731%0.30831%0.311SS..Hα-helixtrans-57.4-47.4176.5-68.3166.8000111.3E358 E359 D365 Y366E358-I362 HydrophobicContact CG-CD1 4.04Å; E358-I362 WeakPolarHBondContact O-CG1 3.45Å; E358-I362 PolarHBondContact O-N 2.9Å; E359-I362 PolarHBondContact O-N 3.07Å; I362-D365 PolarHBondContact O-N 2.91Å; I362-Y366 PolarHBondContact O-N 3.22Å
363L86.4Confident86.9Confident16 Ų1666.7 Ų66.78%0.08433%0.326CS..Hα-helixtrans-67.6-40.4179.1-68.8-171.4000112.4E359 T361 D365 Y366 D367 L412 R415 K416 L419E359-L363 PolarHBondContact O-N 3.33Å; T361-L363 PolarHBondContact O-N 3.15Å; L363-D365 PolarHBondContact O-N 3.45Å; L363-Y366 WeakPolarHBondContact O-CB 3.4Å; L363-Y366 PolarHBondContact O-N 2.94Å; L363-Y366 VanDerWaalsContact O-N 3.13Å; L363-D367 PolarHBondContact O-N 3.39Å; L363-L412 HydrophobicContact CD2-CD2 3.98Å; L363-R415 HydrophobicContact CD2-CG 4.31Å; L363-K416 HydrophobicContact CD1-CB 3.95Å; L363-K416 HydrophobicContact CD1-CG 4.36Å; L363-L419 HydrophobicContact CD1-CB 4.36Å; L363-L419 HydrophobicContact CD1-CD2 3.61Å; L363-L419 HydrophobicContact CG-CD2 4.36Å
364K88.8Confident86.1Confident138 Ų13869.1 Ų69.160%0.633%0.332SS*.Hα-helixtrans-61.6-41.2175-77.5171.6179.7170.80112.6V360 T361 Y366 D367 R368V360-K364 HydrophobicContact CG1-CD 3.93Å; V360-K364 WeakPolarHBondContact O-CB 3.31Å; V360-K364 VanDerWaalsContact O-CG 3.26Å; V360-K364 WeakPolarHBondContact O-CG 3.33Å; V360-K364 PolarHBondContact O-N 3.38Å; V360-K364 VanDerWaalsContact O-N 3.12Å; T361-K364 PolarHBondContact O-N 3.11Å; K364-Y366 VanDerWaalsContact C-N 3.29Å; K364-Y366 PolarHBondContact O-N 3.3Å; K364-D367 PolarHBondContact O-N 2.95Å; K364-R368 WeakPolarHBondContact O-CB 3.32Å; K364-R368 PolarHBondContact O-N 3.05Å
365D86.6Confident85.5Confident59 Ų5969 Ų6932%0.31634%0.341SS..Hα-helixtrans-68.5-27.2175.4-84.9-22.7000112.5T361 I362 L363 R368 R369T361-D365 PolarHBondContact O-N 3.4Å; I362-D365 PolarHBondContact O-N 2.91Å; L363-D365 PolarHBondContact O-N 3.45Å; D365-R368 IonicContact OD1-CZ 3.74Å; D365-R368 IonicContact OD1-NH1 3.53Å; D365-R368 PolarHBondContact OD1-NH1 3.27Å; D365-R368 IonicContact OD1-NH2 3.17Å; D365-R368 PolarHBondContact OD1-NH2 3.25Å; D365-R369 WeakPolarHBondContact O-CG 3.49Å; D365-R369 PolarHBondContact O-N 3.36Å; D365-R369 PolarHBondContact O-NE 3.44Å
366Y83.7Confident84.6Confident44 Ų4473 Ų7317%0.17337%0.368CS..Hα-helixtrans-72.7-51.1169.8-171.5-82000111.8I362 L363 K364 R368 R369 M370 S408 L412I362-Y366 PolarHBondContact O-N 3.22Å; L363-Y366 WeakPolarHBondContact O-CB 3.4Å; L363-Y366 PolarHBondContact O-N 2.94Å; L363-Y366 VanDerWaalsContact O-N 3.13Å; K364-Y366 VanDerWaalsContact C-N 3.29Å; K364-Y366 PolarHBondContact O-N 3.3Å; Y366-R368 PolarHBondContact O-N 2.79Å; Y366-R369 PolarHBondContact O-N 3.49Å; Y366-M370 HydrophobicContact CD1-CB 4.32Å; Y366-M370 HydrophobicContact CE1-CB 3.94Å; Y366-M370 HydrophobicContact CE1-CG 4.29Å; Y366-M370 PolarHBondContact O-N 2.89Å; Y366-S408 PolarHBondContact OH-OG 3.1Å; Y366-L412 HydrophobicContact CD1-CD1 3.82Å; Y366-L412 HydrophobicContact CD1-CD2 4.27Å; Y366-L412 HydrophobicContact CD2-CD1 4.1Å; Y366-L412 HydrophobicContact CD2-CD2 4.24Å; Y366-L412 HydrophobicContact CE1-CD1 3.32Å; Y366-L412 HydrophobicContact CE2-CD1 3.61Å; Y366-L412 HydrophobicContact CG-CD1 4.2Å; Y366-L412 HydrophobicContact CG-CD2 4.11Å; Y366-L412 WeakPolarHBondContact OH-CD1 3.12Å
367D84Confident83.3Confident88 Ų8875.1 Ų75.147%0.47138%0.379SS..Hα-helixtrans-57-36.7179.4-80.2-15.5000111.7L363 K364 S371L363-D367 PolarHBondContact O-N 3.39Å; K364-D367 PolarHBondContact O-N 2.95Å; D367-S371 WeakPolarHBondContact O-CB 3.26Å; D367-S371 PolarHBondContact O-N 3.31Å; D367-S371 PolarHBondContact O-OG 3.04Å
368R86.3Confident82Confident132 Ų13271.4 Ų71.450%0.49838%0.377SS..Hα-helixtrans-61-53.5171.4-173.117966.6-115.7-9.2111.8K364 D365 Y366 M370 S371 E372K364-R368 WeakPolarHBondContact O-CB 3.32Å; K364-R368 PolarHBondContact O-N 3.05Å; D365-R368 IonicContact OD1-CZ 3.74Å; D365-R368 IonicContact OD1-NH1 3.53Å; D365-R368 PolarHBondContact OD1-NH1 3.27Å; D365-R368 IonicContact OD1-NH2 3.17Å; D365-R368 PolarHBondContact OD1-NH2 3.25Å; Y366-R368 PolarHBondContact O-N 2.79Å; R368-M370 VanDerWaalsContact C-N 3.3Å; R368-M370 PolarHBondContact O-N 3.03Å; R368-S371 WeakPolarHBondContact O-CB 3.5Å; R368-S371 PolarHBondContact O-N 3.01Å; R368-S371 VanDerWaalsContact O-N 3.15Å; R368-E372 WeakPolarHBondContact CG-OE1 3.28Å; R368-E372 IonicContact NE-OE1 2.67Å; R368-E372 WeakPolarHBondContact O-CG 3.4Å; R368-E372 PolarHBondContact O-N 3.46Å
369R81.3Confident80.3Confident127 Ų12769.2 Ų69.248%0.47938%0.38SS..Hα-helixtrans-61.3-36179.3-75.7177-72.4160.1-4.4112.9D365 Y366 E372 L373D365-R369 WeakPolarHBondContact O-CG 3.49Å; D365-R369 PolarHBondContact O-N 3.36Å; D365-R369 PolarHBondContact O-NE 3.44Å; Y366-R369 PolarHBondContact O-N 3.49Å; R369-E372 PolarHBondContact O-N 2.92Å; R369-L373 WeakPolarHBondContact O-CB 3.37Å; R369-L373 PolarHBondContact O-N 2.8Å
370M77.7Confident78.5Confident30 Ų3074.4 Ų74.415%0.14842%0.417CS..Hα-helixtrans-69.7-38175.9-170.759.114800111.8Y366 R368 L373 K374 I383 A405 L409Y366-M370 HydrophobicContact CD1-CB 4.32Å; Y366-M370 HydrophobicContact CE1-CB 3.94Å; Y366-M370 HydrophobicContact CE1-CG 4.29Å; Y366-M370 PolarHBondContact O-N 2.89Å; R368-M370 VanDerWaalsContact C-N 3.3Å; R368-M370 PolarHBondContact O-N 3.03Å; M370-L373 PolarHBondContact O-N 3.48Å; M370-K374 WeakPolarHBondContact O-CB 3.39Å; M370-K374 PolarHBondContact O-N 3.15Å; M370-I383 HydrophobicContact CE-CD1 4.02Å; M370-I383 HydrophobicContact SD-CD1 4.47Å; M370-A405 HydrophobicContact CE-CB 4.02Å; M370-A405 HydrophobicContact SD-CB 4.02Å; M370-L409 HydrophobicContact CE-CD1 3.84Å
371S80.6Confident76.7Confident78 Ų7875.1 Ų75.155%0.54542%0.421SS..Hα-helixtrans-66.7-41.1173.6-58.50000111.8D367 R368 K374 S375D367-S371 WeakPolarHBondContact O-CB 3.26Å; D367-S371 PolarHBondContact O-N 3.31Å; D367-S371 PolarHBondContact O-OG 3.04Å; R368-S371 WeakPolarHBondContact O-CB 3.5Å; R368-S371 PolarHBondContact O-N 3.01Å; R368-S371 VanDerWaalsContact O-N 3.15Å; S371-K374 PolarHBondContact O-N 2.89Å; S371-S375 WeakPolarHBondContact O-CB 3.5Å; S371-S375 PolarHBondContact O-N 3.48Å
372E82.8Confident74.9Confident99 Ų9976.9 Ų76.946%0.46343%0.428SS..Hα-helixtrans-59.2-49.3172.1-71.9164.6-175.200110.9R368 R369 K374 S375 S376R368-E372 WeakPolarHBondContact CG-OE1 3.28Å; R368-E372 IonicContact NE-OE1 2.67Å; R368-E372 WeakPolarHBondContact O-CG 3.4Å; R368-E372 PolarHBondContact O-N 3.46Å; R369-E372 PolarHBondContact O-N 2.92Å; E372-K374 PolarHBondContact O-N 3.03Å; E372-S375 PolarHBondContact O-N 2.92Å; E372-S375 PolarHBondContact O-OG 3.33Å; E372-S376 PolarHBondContact O-N 3.21Å
373L74.4Confident73.4Confident62 Ų6275.3 Ų75.333%0.32542%0.42SS..Hα-helixtrans-55.8-50173.8-87.7162000112.1R369 M370 S375 S376 L377 K401R369-L373 WeakPolarHBondContact O-CB 3.37Å; R369-L373 PolarHBondContact O-N 2.8Å; M370-L373 PolarHBondContact O-N 3.48Å; L373-S375 VanDerWaalsContact C-N 3.29Å; L373-S375 PolarHBondContact O-N 3.12Å; L373-S376 PolarHBondContact O-N 2.72Å; L373-S376 VanDerWaalsContact O-N 3.15Å; L373-S376 PolarHBondContact O-OG 2.73Å; L373-L377 PolarHBondContact O-N 2.84Å; L373-L377 VanDerWaalsContact O-N 3.11Å; L373-K401 HydrophobicContact CD2-CB 4.3Å
374K74.1Confident71.9Confident80 Ų8080.6 Ų80.635%0.34845%0.449SS..Hα-helixtrans-60.8-37178.1-169.9175.9-176.5177.70112.3M370 S371 E372 L377 G379 T381 I383M370-K374 WeakPolarHBondContact O-CB 3.39Å; M370-K374 PolarHBondContact O-N 3.15Å; S371-K374 PolarHBondContact O-N 2.89Å; E372-K374 PolarHBondContact O-N 3.03Å; K374-L377 PolarHBondContact O-N 3.06Å; K374-G379 PolarHBondContact O-N 3.15Å; K374-T381 WeakPolarHBondContact CE-O 3.42Å; K374-I383 HydrophobicContact CB-CD1 4.47Å; K374-I383 HydrophobicContact CD-CD1 4.35Å; K374-I383 HydrophobicContact CG-CD1 4.43Å
375S79.8Confident70.2Confident86 Ų8679.6 Ų79.660%0.60145%0.449SS*.Hα-helixtrans-67.2-40.9175.378.40000112.2S371 E372 L373 L377 G378S371-S375 WeakPolarHBondContact O-CB 3.5Å; S371-S375 PolarHBondContact O-N 3.48Å; E372-S375 PolarHBondContact O-N 2.92Å; E372-S375 PolarHBondContact O-OG 3.33Å; L373-S375 VanDerWaalsContact C-N 3.29Å; L373-S375 PolarHBondContact O-N 3.12Å; S375-L377 PolarHBondContact O-N 2.77Å; S375-G378 PolarHBondContact O-N 3.27Å
376S74.2Confident68.4Low88 Ų8878.8 Ų78.862%0.61544%0.444SS*.Hα-helixtrans-67-23.517875.20000113.4E372 L373 G378E372-S376 PolarHBondContact O-N 3.21Å; L373-S376 PolarHBondContact O-N 2.72Å; L373-S376 VanDerWaalsContact O-N 3.15Å; L373-S376 PolarHBondContact O-OG 2.73Å; S376-G378 VanDerWaalsContact C-N 3.35Å
377L67.1Low66.9Low61 Ų6179.4 Ų79.432%0.31946%0.459SS..THydrogen-bonded Turntrans-92.413.3179.4-146.177.6000114L373 K374 S375 T381 L386 L402L373-L377 PolarHBondContact O-N 2.84Å; L373-L377 VanDerWaalsContact O-N 3.11Å; K374-L377 PolarHBondContact O-N 3.06Å; S375-L377 PolarHBondContact O-N 2.77Å; L377-T381 PolarHBondContact O-OG1 3.27Å; L377-L386 HydrophobicContact CD2-CD1 3.82Å; L377-L402 HydrophobicContact CD2-CD1 3.62Å
378G63.7Low65Low54 Ų5482 Ų8256%0.55747%0.472SS*.THydrogen-bonded Turntrans949171.500000116.3S375 S376 S380S375-G378 PolarHBondContact O-N 3.27Å; S376-G378 VanDerWaalsContact C-N 3.35Å; G378-S380 PolarHBondContact O-N 3.48Å; G378-S380 PolarHBondContact O-OG 3.48Å
379G55.2Low63Low51 Ų5179 Ų7953%0.52647%0.472SS..SBendtrans66.4-12.6164.500000118K374K374-G379 PolarHBondContact O-N 3.15Å
380S51.8Low61.3Low113 Ų11379.1 Ų79.179%0.7949%0.492SS*.  trans-111-2.2-173.353.10000114.1G378G378-S380 PolarHBondContact O-N 3.48Å; G378-S380 PolarHBondContact O-OG 3.48Å
381T52.8Low59.8Low49 Ų4983.3 Ų83.330%0.30152%0.52SS..  trans-92.1118174.828.80000111.1K374 L377 I383 L386K374-T381 WeakPolarHBondContact CE-O 3.42Å; L377-T381 PolarHBondContact O-OG1 3.27Å; T381-I383 PolarHBondContact O-N 3.31Å; T381-L386 HydrophobicContact CG2-CD1 4.04Å
382D54.8Low58.3Low99 Ų9984.3 Ų84.353%0.52952%0.517SS..  trans-69.1118.9161.6-79.9-36.9000109N384 I385D382-N384 PolarHBondContact O-N 2.89Å; D382-N384 VanDerWaalsContact O-N 3.09Å; D382-I385 HydrophobicContact CB-CD1 4.01Å; D382-I385 HydrophobicContact CB-CG1 4.05Å; D382-I385 WeakPolarHBondContact O-CB 3.29Å; D382-I385 PolarHBondContact O-N 3.27Å
383I56.3Low56.4Low27 Ų2784.8 Ų84.814%0.13853%0.526CS..Hα-helixtrans-56.3-31-176.6-64.1172.4000111M370 K374 T381 I385 L386 A387 I406M370-I383 HydrophobicContact CE-CD1 4.02Å; M370-I383 HydrophobicContact SD-CD1 4.47Å; K374-I383 HydrophobicContact CB-CD1 4.47Å; K374-I383 HydrophobicContact CD-CD1 4.35Å; K374-I383 HydrophobicContact CG-CD1 4.43Å; T381-I383 PolarHBondContact O-N 3.31Å; I383-I385 VanDerWaalsContact C-N 3.27Å; I383-I385 PolarHBondContact O-N 2.91Å; I383-L386 PolarHBondContact O-N 2.87Å; I383-A387 PolarHBondContact O-N 2.87Å; I383-I406 HydrophobicContact CG2-CD1 4.07Å; I383-I406 HydrophobicContact CG2-CG1 3.81Å
384N53.3Low55Low127 Ų12790.7 Ų90.768%0.67955%0.55SS**Hα-helixtrans-65.2-22.3175.7-66.2-9.9000114.4D382D382-N384 PolarHBondContact O-N 2.89Å; D382-N384 VanDerWaalsContact O-N 3.09Å
385I53.1Low54Low118 Ų11892.4 Ų92.461%0.60556%0.562SS**Hα-helixtrans-83-36.3178.3-60.2179.2000110.6D382 I383 A387 N388D382-I385 HydrophobicContact CB-CD1 4.01Å; D382-I385 HydrophobicContact CB-CG1 4.05Å; D382-I385 WeakPolarHBondContact O-CB 3.29Å; D382-I385 PolarHBondContact O-N 3.27Å; I383-I385 VanDerWaalsContact C-N 3.27Å; I383-I385 PolarHBondContact O-N 2.91Å; I385-A387 VanDerWaalsContact C-N 3.32Å; I385-A387 PolarHBondContact O-N 2.56Å; I385-N388 PolarHBondContact O-N 3.1Å
386L49.9Very low53Low41 Ų4194.9 Ų94.922%0.21557%0.569CS.*Hα-helixtrans-64.3-33.7177.6-88152000112.9L377 T381 I383 N388 M392 L402L377-L386 HydrophobicContact CD2-CD1 3.82Å; T381-L386 HydrophobicContact CG2-CD1 4.04Å; I383-L386 PolarHBondContact O-N 2.87Å; L386-N388 PolarHBondContact O-N 2.56Å; L386-M392 HydrophobicContact CD2-CE 3.43Å; L386-M392 VanDerWaalsContact CD2-CE 3.43Å; L386-L402 HydrophobicContact CB-CD2 4.18Å; L386-L402 HydrophobicContact CD1-CD2 4.49Å
387A51.3Low52.5Low58 Ų5895.7 Ų95.748%0.47957%0.566SS.*THydrogen-bonded Turntrans-62.7-21.5178.100000114.2I383 I385 I406I383-A387 PolarHBondContact O-N 2.87Å; I385-A387 VanDerWaalsContact C-N 3.32Å; I385-A387 PolarHBondContact O-N 2.56Å; A387-I406 HydrophobicContact CB-CD1 4.36Å; A387-I406 HydrophobicContact CB-CG2 4.49Å
388N45.5Very low52.3Low141 Ų14195.2 Ų95.275%0.75457%0.568SS**THydrogen-bonded Turntrans-109.30.2-171.8-71.7-20000114.5I385 L386I385-N388 PolarHBondContact O-N 3.1Å; L386-N388 PolarHBondContact O-N 2.56Å
389S44Very low52.4Low71 Ų7194.3 Ų94.350%0.49755%0.552SS.*  trans-114.8107-173.9-162.80000111.5T391S389-T391 PolarHBondContact O-N 2.89Å
390S44.2Very low53.1Low129 Ų12994.2 Ų94.290%0.90255%0.546SS*.  trans-68.419.7-174.4-430000115.7
391T47.3Very low53.9Low118 Ų11893.6 Ų93.672%0.72453%0.529SS*.  trans-113.374-172.8-45.50000110S389S389-T391 PolarHBondContact O-N 2.89Å
392M49.4Very low54.5Low99 Ų9992.6 Ų92.649%0.48852%0.522SS..  trans-122.4108.6175.3-97.3-68177.400110.6L386 T399L386-M392 HydrophobicContact CD2-CE 3.43Å; L386-M392 VanDerWaalsContact CD2-CE 3.43Å; M392-T399 HydrophobicContact CG-CG2 4.37Å; M392-T399 HydrophobicContact SD-CG2 4.4Å
393T41.7Very low55.4Low108 Ų10890.8 Ų90.866%0.66352%0.515SS*.  trans-131.9126.6175.251.90000109.8
394F45.9Very low56.3Low187 Ų18794.6 Ų94.682%0.8254%0.535SS*.SBendtrans78.939.2166.2-54.2-69.5000120.3
395L52.5Low57.2Low115 Ų11589 Ų8960%0.60251%0.506SS*.  trans-144.660.6162.9-74.2-179.3000112.8D397 S398 T399L395-D397 PolarHBondContact O-N 3.28Å; L395-S398 PolarHBondContact O-N 3.24Å; L395-T399 WeakPolarHBondContact O-CB 3.39Å; L395-T399 PolarHBondContact O-N 3.33Å; L395-T399 PolarHBondContact O-OG1 3.32Å
396D59.3Low58.1Low138 Ų13885.4 Ų85.474%0.73849%0.488SS*.Hα-helixtrans-54.9-46-165.3-60.9-13.7000115.4A400D396-A400 WeakPolarHBondContact O-CB 3.3Å; D396-A400 PolarHBondContact O-N 3.23Å
397D63.8Low59.5Low105 Ų10588.8 Ų88.856%0.56151%0.506SS*.Hα-helixtrans-75.2-34-173.7-173.852.7000113.5L395 K401L395-D397 PolarHBondContact O-N 3.28Å; D397-K401 VanDerWaalsContact CG-NZ 3.28Å; D397-K401 WeakPolarHBondContact O-CD 3.34Å; D397-K401 WeakPolarHBondContact O-CG 3.33Å; D397-K401 PolarHBondContact O-N 2.76Å; D397-K401 WeakPolarHBondContact OD1-CE 3.42Å; D397-K401 IonicContact OD1-NZ 2.87Å; D397-K401 PolarHBondContact OD1-NZ 2.73Å; D397-K401 IonicContact OD2-NZ 2.56Å; D397-K401 PolarHBondContact OD2-NZ 2.95Å
398S62.1Low60.8Low52 Ų5287.5 Ų87.536%0.36449%0.494SS..Hα-helixtrans-73.9-38.9173.4-63.80000111.5L395 K401 L402L395-S398 PolarHBondContact O-N 3.24Å; S398-K401 PolarHBondContact O-N 3.11Å; S398-L402 WeakPolarHBondContact O-CB 3.41Å; S398-L402 PolarHBondContact O-N 3.43Å
399T66.8Low62.4Low34 Ų3483.4 Ų83.421%0.20947%0.471CS..Hα-helixtrans-68-40.2178.2-57.90000111.4M392 L395 K401 L402 T403M392-T399 HydrophobicContact CG-CG2 4.37Å; M392-T399 HydrophobicContact SD-CG2 4.4Å; L395-T399 WeakPolarHBondContact O-CB 3.39Å; L395-T399 PolarHBondContact O-N 3.33Å; L395-T399 PolarHBondContact O-OG1 3.32Å; T399-K401 PolarHBondContact O-N 3.1Å; T399-L402 PolarHBondContact O-N 2.92Å; T399-T403 WeakPolarHBondContact O-CB 3.28Å; T399-T403 PolarHBondContact O-N 3.49Å; T399-T403 PolarHBondContact O-OG1 3.32Å; T399-T403 VanDerWaalsContact O-OG1 3.06Å
400A69.6Low64.2Low50 Ų5084.1 Ų84.141%0.41348%0.475SS..Hα-helixtrans-61.6-41.717500000112.4D396 T403 N404D396-A400 WeakPolarHBondContact O-CB 3.3Å; D396-A400 PolarHBondContact O-N 3.23Å; A400-T403 PolarHBondContact O-N 2.99Å; A400-N404 WeakPolarHBondContact O-CB 3.46Å; A400-N404 VanDerWaalsContact O-CG 3.28Å; A400-N404 PolarHBondContact O-N 3.46Å; A400-N404 PolarHBondContact O-ND2 2.88Å
401K68.1Low66Low100 Ų10084.9 Ų84.944%0.43546%0.464SS..Hα-helixtrans-64.2-41.1174.4-71.9164.7-172.6162.20111.9L373 D397 S398 T399 A405L373-K401 HydrophobicContact CD2-CB 4.3Å; D397-K401 VanDerWaalsContact CG-NZ 3.28Å; D397-K401 WeakPolarHBondContact O-CD 3.34Å; D397-K401 WeakPolarHBondContact O-CG 3.33Å; D397-K401 PolarHBondContact O-N 2.76Å; D397-K401 WeakPolarHBondContact OD1-CE 3.42Å; D397-K401 IonicContact OD1-NZ 2.87Å; D397-K401 PolarHBondContact OD1-NZ 2.73Å; D397-K401 IonicContact OD2-NZ 2.56Å; D397-K401 PolarHBondContact OD2-NZ 2.95Å; S398-K401 PolarHBondContact O-N 3.11Å; T399-K401 PolarHBondContact O-N 3.1Å; K401-A405 WeakPolarHBondContact O-CB 3.45Å; K401-A405 PolarHBondContact O-N 2.86Å
402L66.7Low67.6Low28 Ų2880.8 Ų80.815%0.14744%0.438CS..Hα-helixtrans-63.2-48.4175.5-168.6104.6000111.7L377 L386 S398 T399 N404 A405 I406L377-L402 HydrophobicContact CD2-CD1 3.62Å; L386-L402 HydrophobicContact CB-CD2 4.18Å; L386-L402 HydrophobicContact CD1-CD2 4.49Å; S398-L402 WeakPolarHBondContact O-CB 3.41Å; S398-L402 PolarHBondContact O-N 3.43Å; T399-L402 PolarHBondContact O-N 2.92Å; L402-N404 PolarHBondContact O-N 2.98Å; L402-A405 PolarHBondContact O-N 3.3Å; L402-I406 HydrophobicContact CD2-CD1 3.65Å; L402-I406 HydrophobicContact CG-CD1 3.84Å; L402-I406 WeakPolarHBondContact O-CB 3.46Å; L402-I406 VanDerWaalsContact O-CG1 3.31Å; L402-I406 WeakPolarHBondContact O-CG1 3.49Å; L402-I406 PolarHBondContact O-N 2.59Å
403T72.6Confident69.3Low61 Ų6182.2 Ų82.237%0.37445%0.445SS..Hα-helixtrans-59.9-44.2177.9-60.90000111.4T399 A400 A405 I406 N407T399-T403 WeakPolarHBondContact O-CB 3.28Å; T399-T403 PolarHBondContact O-N 3.49Å; T399-T403 PolarHBondContact O-OG1 3.32Å; T399-T403 VanDerWaalsContact O-OG1 3.06Å; A400-T403 PolarHBondContact O-N 2.99Å; T403-A405 PolarHBondContact O-N 3.24Å; T403-I406 PolarHBondContact O-N 2.7Å; T403-N407 WeakPolarHBondContact O-CB 3.31Å; T403-N407 PolarHBondContact O-N 3.3Å; T403-N407 PolarHBondContact O-ND2 3.06Å
404N76.1Confident71.4Confident106 Ų10680.1 Ų80.157%0.56743%0.427SS*.Hα-helixtrans-65.4-37.4175.9-71.4-16.6000112.6A400 L402 S408A400-N404 WeakPolarHBondContact O-CB 3.46Å; A400-N404 VanDerWaalsContact O-CG 3.28Å; A400-N404 PolarHBondContact O-N 3.46Å; A400-N404 PolarHBondContact O-ND2 2.88Å; L402-N404 PolarHBondContact O-N 2.98Å; N404-S408 PolarHBondContact O-N 3.46Å; N404-S408 VanDerWaalsContact O-N 3.12Å; N404-S408 PolarHBondContact O-OG 3.44Å
405A71.3Confident73.4Confident9 Ų974.8 Ų74.87%0.07440%0.402CS..Hα-helixtrans-68-38.417500000112.3M370 K401 L402 T403 S408 L409M370-A405 HydrophobicContact CE-CB 4.02Å; M370-A405 HydrophobicContact SD-CB 4.02Å; K401-A405 WeakPolarHBondContact O-CB 3.45Å; K401-A405 PolarHBondContact O-N 2.86Å; L402-A405 PolarHBondContact O-N 3.3Å; T403-A405 PolarHBondContact O-N 3.24Å; A405-S408 PolarHBondContact O-OG 2.93Å; A405-L409 WeakPolarHBondContact O-CB 3.29Å; A405-L409 PolarHBondContact O-N 2.98Å
406I72.4Confident75.1Confident43 Ų4374.2 Ų74.222%0.22139%0.394CS..Hα-helixtrans-66.8-45.2175.3-71.4166.4000110.5I383 A387 L402 T403 S408 L409 P410I383-I406 HydrophobicContact CG2-CD1 4.07Å; I383-I406 HydrophobicContact CG2-CG1 3.81Å; A387-I406 HydrophobicContact CB-CD1 4.36Å; A387-I406 HydrophobicContact CB-CG2 4.49Å; L402-I406 HydrophobicContact CD2-CD1 3.65Å; L402-I406 HydrophobicContact CG-CD1 3.84Å; L402-I406 WeakPolarHBondContact O-CB 3.46Å; L402-I406 VanDerWaalsContact O-CG1 3.31Å; L402-I406 WeakPolarHBondContact O-CG1 3.49Å; L402-I406 PolarHBondContact O-N 2.59Å; T403-I406 PolarHBondContact O-N 2.7Å; I406-S408 VanDerWaalsContact C-N 3.3Å; I406-S408 PolarHBondContact O-N 3.29Å; I406-L409 WeakPolarHBondContact O-CB 3.29Å; I406-L409 PolarHBondContact O-N 2.67Å; I406-P410 WeakPolarHBondContact O-CD 3.42Å
407N78.3Confident76.7Confident113 Ų11371.8 Ų71.860%0.60438%0.375SS*.Hα-helixtrans-65.4-31-180-70.7-14.5000113.2T403T403-N407 WeakPolarHBondContact O-CB 3.31Å; T403-N407 PolarHBondContact O-N 3.3Å; T403-N407 PolarHBondContact O-ND2 3.06Å
408S79Confident78Confident31 Ų3167.1 Ų67.122%0.21735%0.35CS..Hα-helixtrans-85.2-14.2176.150.50000113.9Y366 N404 A405 I406 Q411 L412Y366-S408 PolarHBondContact OH-OG 3.1Å; N404-S408 PolarHBondContact O-N 3.46Å; N404-S408 VanDerWaalsContact O-N 3.12Å; N404-S408 PolarHBondContact O-OG 3.44Å; A405-S408 PolarHBondContact O-OG 2.93Å; I406-S408 VanDerWaalsContact C-N 3.3Å; I406-S408 PolarHBondContact O-N 3.29Å; S408-Q411 WeakPolarHBondContact O-CB 3.3Å; S408-Q411 PolarHBondContact O-N 3.12Å; S408-Q411 VanDerWaalsContact O-N 3.11Å; S408-L412 WeakPolarHBondContact O-CD1 3.42Å; S408-L412 WeakPolarHBondContact O-CG 3.27Å; S408-L412 PolarHBondContact O-N 2.92Å
409L79.1Confident79.5Confident54 Ų5465 Ų6528%0.28334%0.335SS..Hα-helixtrans-58.6-43.2-175.3-154.3151.7000113.7M370 A405 I406 Q411 L412 M413M370-L409 HydrophobicContact CE-CD1 3.84Å; A405-L409 WeakPolarHBondContact O-CB 3.29Å; A405-L409 PolarHBondContact O-N 2.98Å; I406-L409 WeakPolarHBondContact O-CB 3.29Å; I406-L409 PolarHBondContact O-N 2.67Å; L409-Q411 VanDerWaalsContact C-N 3.34Å; L409-Q411 PolarHBondContact O-N 2.68Å; L409-L412 PolarHBondContact O-N 3.08Å; L409-M413 HydrophobicContact CD2-CG 3.99Å; L409-M413 HydrophobicContact CD2-SD 3.67Å; L409-M413 WeakPolarHBondContact O-CG 3.42Å; L409-M413 PolarHBondContact O-N 3.45Å
410P82Confident80.7Confident87 Ų8767.3 Ų67.357%0.56535%0.346SS*.Hα-helixtrans-63-38175-22.634.6000113.1I406 L412 M413 E414I406-P410 WeakPolarHBondContact O-CD 3.42Å; P410-L412 VanDerWaalsContact C-N 3.31Å; P410-L412 PolarHBondContact O-N 3.1Å; P410-M413 PolarHBondContact O-N 3Å; P410-E414 PolarHBondContact O-N 2.89Å; P410-E414 VanDerWaalsContact O-N 3.12Å
411Q82.2Confident81.9Confident144 Ų14465 Ų6567%0.67333%0.326SS*.Hα-helixtrans-66.4-36.1177.3-170.1-178.527.900111.2S408 L409 R415S408-Q411 WeakPolarHBondContact O-CB 3.3Å; S408-Q411 PolarHBondContact O-N 3.12Å; S408-Q411 VanDerWaalsContact O-N 3.11Å; L409-Q411 VanDerWaalsContact C-N 3.34Å; L409-Q411 PolarHBondContact O-N 2.68Å; Q411-R415 VanDerWaalsContact O-CB 3.3Å; Q411-R415 WeakPolarHBondContact O-CB 3.06Å; Q411-R415 PolarHBondContact O-N 3.11Å
412L79.8Confident83.2Confident33 Ų3360.2 Ų60.217%0.17331%0.305CS..Hα-helixtrans-74.1-37.2177.4-71.4157.3000112.9L363 Y366 S408 L409 P410 E414 R415 K416L363-L412 HydrophobicContact CD2-CD2 3.98Å; Y366-L412 HydrophobicContact CD1-CD1 3.82Å; Y366-L412 HydrophobicContact CD1-CD2 4.27Å; Y366-L412 HydrophobicContact CD2-CD1 4.1Å; Y366-L412 HydrophobicContact CD2-CD2 4.24Å; Y366-L412 HydrophobicContact CE1-CD1 3.32Å; Y366-L412 HydrophobicContact CE2-CD1 3.61Å; Y366-L412 HydrophobicContact CG-CD1 4.2Å; Y366-L412 HydrophobicContact CG-CD2 4.11Å; Y366-L412 WeakPolarHBondContact OH-CD1 3.12Å; S408-L412 WeakPolarHBondContact O-CD1 3.42Å; S408-L412 WeakPolarHBondContact O-CG 3.27Å; S408-L412 PolarHBondContact O-N 2.92Å; L409-L412 PolarHBondContact O-N 3.08Å; P410-L412 VanDerWaalsContact C-N 3.31Å; P410-L412 PolarHBondContact O-N 3.1Å; L412-E414 VanDerWaalsContact C-N 3.31Å; L412-E414 PolarHBondContact O-N 3.06Å; L412-R415 PolarHBondContact O-N 3.39Å; L412-K416 VanDerWaalsContact O-CB 3.28Å; L412-K416 WeakPolarHBondContact O-CB 3.32Å; L412-K416 PolarHBondContact O-N 3.4Å
413M85.4Confident84.5Confident129 Ų12960.9 Ų60.964%0.63531%0.311SS*.Hα-helixtrans-59.7-43.7171.3-74-179.771.100111.2L409 P410 K416 R417L409-M413 HydrophobicContact CD2-CG 3.99Å; L409-M413 HydrophobicContact CD2-SD 3.67Å; L409-M413 WeakPolarHBondContact O-CG 3.42Å; L409-M413 PolarHBondContact O-N 3.45Å; P410-M413 PolarHBondContact O-N 3Å; M413-K416 PolarHBondContact O-N 3Å; M413-R417 PolarHBondContact O-N 2.85Å
414E85.7Confident85.5Confident63 Ų6360.7 Ų60.729%0.29431%0.307SS..Hα-helixtrans-67.4-45.5176.4-176.560.4-173.200111.8C337 P410 L412 K416 R417 C418C337-E414 HydrophobicContact CB-CG 4.28Å; C337-E414 PolarHBondContact SG-OE1 3.45Å; P410-E414 PolarHBondContact O-N 2.89Å; P410-E414 VanDerWaalsContact O-N 3.12Å; L412-E414 VanDerWaalsContact C-N 3.31Å; L412-E414 PolarHBondContact O-N 3.06Å; E414-K416 VanDerWaalsContact C-N 3.26Å; E414-K416 PolarHBondContact O-N 3.02Å; E414-R417 VanDerWaalsContact CD-NE 3.34Å; E414-R417 WeakPolarHBondContact O-CA 3.46Å; E414-R417 WeakPolarHBondContact O-CB 3.28Å; E414-R417 PolarHBondContact O-N 2.74Å; E414-R417 IonicContact OE1-CZ 3.5Å; E414-R417 IonicContact OE1-NE 3.53Å; E414-R417 PolarHBondContact OE1-NE 3.48Å; E414-R417 IonicContact OE1-NH2 3.88Å; E414-R417 PolarHBondContact OE1-NH2 3.22Å; E414-R417 IonicContact OE2-CZ 2.66Å; E414-R417 IonicContact OE2-NE 2.87Å; E414-R417 PolarHBondContact OE2-NE 2.56Å; E414-R417 IonicContact OE2-NH2 2.74Å; E414-C418 PolarHBondContact O-N 3.15Å; E414-C418 PolarHBondContact O-SG 3.06Å
415R88.2Confident86.4Confident76 Ų7655.6 Ų55.629%0.28728%0.281SS..Hα-helixtrans-59-37.4175.9-168.5173.7-176.1111.2-0.9112.4E359 L363 Q411 L412 L419E359-R415 IonicContact OE1-CZ 3.34Å; E359-R415 IonicContact OE1-NE 2.68Å; E359-R415 PolarHBondContact OE1-NE 3.29Å; E359-R415 IonicContact OE1-NH2 3.11Å; E359-R415 PolarHBondContact OE1-NH2 3.33Å; E359-R415 IonicContact OE2-CZ 2.66Å; E359-R415 IonicContact OE2-NE 3.93Å; E359-R415 IonicContact OE2-NH2 3.38Å; E359-R415 PolarHBondContact OE2-NH2 3.37Å; L363-R415 HydrophobicContact CD2-CG 4.31Å; Q411-R415 VanDerWaalsContact O-CB 3.3Å; Q411-R415 WeakPolarHBondContact O-CB 3.06Å; Q411-R415 PolarHBondContact O-N 3.11Å; L412-R415 PolarHBondContact O-N 3.39Å; R415-L419 WeakPolarHBondContact O-CB 3.35Å; R415-L419 PolarHBondContact O-N 3.3Å
416K89.1Confident87.5Confident102 Ų10255.7 Ų55.744%0.44328%0.281SS..Hα-helixtrans-67.6-42.8172.3-176.8174.3179171.20112.1L363 L412 M413 E414 C418 L419 D420L363-K416 HydrophobicContact CD1-CB 3.95Å; L363-K416 HydrophobicContact CD1-CG 4.36Å; L412-K416 VanDerWaalsContact O-CB 3.28Å; L412-K416 WeakPolarHBondContact O-CB 3.32Å; L412-K416 PolarHBondContact O-N 3.4Å; M413-K416 PolarHBondContact O-N 3Å; E414-K416 VanDerWaalsContact C-N 3.26Å; E414-K416 PolarHBondContact O-N 3.02Å; K416-C418 PolarHBondContact O-N 3.1Å; K416-L419 PolarHBondContact O-N 2.62Å; K416-D420 WeakPolarHBondContact O-CB 3.36Å; K416-D420 PolarHBondContact O-N 3.03Å
417R91.9Very high88.5Confident88 Ų8856.5 Ų56.533%0.33229%0.288SS..Hα-helixtrans-57.6-48.4176-172.6-164.870.874.6-0.4111.3M413 E414 D420 M421M413-R417 PolarHBondContact O-N 2.85Å; E414-R417 VanDerWaalsContact CD-NE 3.34Å; E414-R417 WeakPolarHBondContact O-CA 3.46Å; E414-R417 WeakPolarHBondContact O-CB 3.28Å; E414-R417 PolarHBondContact O-N 2.74Å; E414-R417 IonicContact OE1-CZ 3.5Å; E414-R417 IonicContact OE1-NE 3.53Å; E414-R417 PolarHBondContact OE1-NE 3.48Å; E414-R417 IonicContact OE1-NH2 3.88Å; E414-R417 PolarHBondContact OE1-NH2 3.22Å; E414-R417 IonicContact OE2-CZ 2.66Å; E414-R417 IonicContact OE2-NE 2.87Å; E414-R417 PolarHBondContact OE2-NE 2.56Å; E414-R417 IonicContact OE2-NH2 2.74Å; R417-D420 PolarHBondContact O-N 3.48Å; R417-M421 WeakPolarHBondContact O-CB 3.32Å; R417-M421 PolarHBondContact O-N 3.01Å
418C92.4Very high89.3Confident6 Ų651.1 Ų51.14%0.04126%0.259CS..Hα-helixtrans-58.9-45.5174.2-71.40000111.8D338 E414 K416 M421 H422D338-C418 WeakPolarHBondContact OD2-CB 3.42Å; D338-C418 PolarHBondContact OD2-SG 3.38Å; E414-C418 PolarHBondContact O-N 3.15Å; E414-C418 PolarHBondContact O-SG 3.06Å; K416-C418 PolarHBondContact O-N 3.1Å; C418-M421 WeakPolarHBondContact O-CB 3.33Å; C418-M421 PolarHBondContact O-N 3.15Å; C418-H422 PolarHBondContact O-CD2 3.39Å; C418-H422 VanDerWaalsContact O-CD2 3.25Å; C418-H422 PolarHBondContact O-N 3.45Å
419L92.1Very high90Very high8 Ų849.6 Ų49.64%0.04225%0.249CC..Hα-helixtrans-64.6-44.1177.7-175.861.6000113.1I340 I356 E359 V360 L363 R415 K416 M421 H422 T423I340-L419 HydrophobicContact CD1-CD1 3.84Å; I356-L419 HydrophobicContact CG2-CD1 4Å; E359-L419 HydrophobicContact CB-CD1 3.77Å; E359-L419 HydrophobicContact CB-CD2 4.38Å; E359-L419 HydrophobicContact CG-CB 4.46Å; E359-L419 HydrophobicContact CG-CD1 3.82Å; E359-L419 HydrophobicContact CG-CD2 4.1Å; E359-L419 HydrophobicContact CG-CG 4.35Å; V360-L419 HydrophobicContact CB-CD2 4.37Å; V360-L419 HydrophobicContact CG2-CD1 4.18Å; V360-L419 HydrophobicContact CG2-CD2 3.74Å; V360-L419 HydrophobicContact CG2-CG 4.27Å; L363-L419 HydrophobicContact CD1-CB 4.36Å; L363-L419 HydrophobicContact CD1-CD2 3.61Å; L363-L419 HydrophobicContact CG-CD2 4.36Å; R415-L419 WeakPolarHBondContact O-CB 3.35Å; R415-L419 PolarHBondContact O-N 3.3Å; K416-L419 PolarHBondContact O-N 2.62Å; L419-M421 VanDerWaalsContact C-N 3.31Å; L419-M421 PolarHBondContact O-N 2.73Å; L419-H422 PolarHBondContact O-N 2.89Å; L419-T423 VanDerWaalsContact O-CB 3.23Å; L419-T423 WeakPolarHBondContact O-CB 3.25Å; L419-T423 PolarHBondContact O-N 2.92Å; L419-T423 PolarHBondContact O-OG1 3.43Å
420D92.4Very high90.7Very high82 Ų8248.7 Ų48.744%0.43925%0.249SC..Hα-helixtrans-62.3-40.8178.2-73.1-23.7000110.4K416 R417 N424K416-D420 WeakPolarHBondContact O-CB 3.36Å; K416-D420 PolarHBondContact O-N 3.03Å; R417-D420 PolarHBondContact O-N 3.48Å; D420-N424 WeakPolarHBondContact O-CB 3.36Å; D420-N424 PolarHBondContact O-N 3.07Å; D420-N424 PolarHBondContact O-ND2 2.89Å; D420-N424 VanDerWaalsContact O-ND2 3.15Å
421M94.2Very high91.2Very high1 Ų145.8 Ų45.81%0.00523%0.229CC..Hα-helixtrans-58.6-56.8171.8170179.78800111.9Y331 L333 D338 R417 C418 L419 T423 N424 I425Y331-M421 HydrophobicContact CD1-CB 3.84Å; Y331-M421 HydrophobicContact CD1-CG 3.49Å; Y331-M421 VanDerWaalsContact CD1-CG 3.49Å; Y331-M421 HydrophobicContact CD1-SD 3.89Å; Y331-M421 HydrophobicContact CD2-CG 4.27Å; Y331-M421 HydrophobicContact CE1-CB 3.87Å; Y331-M421 HydrophobicContact CE1-CG 3.98Å; Y331-M421 HydrophobicContact CG-CB 4.46Å; Y331-M421 HydrophobicContact CG-CG 3.66Å; Y331-M421 HydrophobicContact CG-SD 4.06Å; L333-M421 HydrophobicContact CD2-CE 4.19Å; L333-M421 HydrophobicContact CD2-SD 4.45Å; D338-M421 WeakPolarHBondContact OD2-CE 3.43Å; R417-M421 WeakPolarHBondContact O-CB 3.32Å; R417-M421 PolarHBondContact O-N 3.01Å; C418-M421 WeakPolarHBondContact O-CB 3.33Å; C418-M421 PolarHBondContact O-N 3.15Å; L419-M421 VanDerWaalsContact C-N 3.31Å; L419-M421 PolarHBondContact O-N 2.73Å; M421-T423 VanDerWaalsContact C-N 3.31Å; M421-T423 PolarHBondContact O-N 3.29Å; M421-N424 PolarHBondContact O-N 3.23Å; M421-I425 HydrophobicContact CG-CD1 3.8Å; M421-I425 WeakPolarHBondContact O-CG1 3.39Å; M421-I425 PolarHBondContact O-N 3.37Å
422H95.3Very high91.7Very high0 Ų039.7 Ų39.70%020%0.201CC..Hα-helixtrans-64.5-34.2-178.3-79-59.3000112.9Y283 D338 I340 W341 I356 C418 L419 A426Y283-H422 AromaticContact CE1-CE1 3.78Å; Y283-H422 AromaticContact CE1-ND1 3.48Å; Y283-H422 WeakPolarHBondContact CE1-ND1 3.25Å; Y283-H422 AromaticContact CZ-ND1 3.58Å; Y283-H422 PolarHBondContact OH-ND1 3.21Å; D338-H422 VanDerWaalsContact CG-NE2 3.27Å; D338-H422 IonicContact OD1-CD2 3.52Å; D338-H422 PolarHBondContact OD1-CD2 3.22Å; D338-H422 IonicContact OD1-NE2 3.65Å; D338-H422 PolarHBondContact OD1-NE2 3.49Å; D338-H422 IonicContact OD2-CD2 3.27Å; D338-H422 PolarHBondContact OD2-CD2 2.98Å; D338-H422 IonicContact OD2-NE2 2.87Å; D338-H422 PolarHBondContact OD2-NE2 2.99Å; I340-H422 HydrophobicContact CD1-CB 4.11Å; I340-H422 HydrophobicContact CG2-CB 4.26Å; W341-H422 AromaticContact CE3-CE1 3.98Å; I356-H422 HydrophobicContact CD1-CB 4.13Å; I356-H422 HydrophobicContact CG1-CB 4.32Å; C418-H422 PolarHBondContact O-CD2 3.39Å; C418-H422 VanDerWaalsContact O-CD2 3.25Å; C418-H422 PolarHBondContact O-N 3.45Å; L419-H422 PolarHBondContact O-N 2.89Å; H422-A426 WeakPolarHBondContact O-CB 3.38Å; H422-A426 PolarHBondContact O-N 3.24Å
423T94Very high92.3Very high43 Ų4338.4 Ų38.426%0.26420%0.195SC..Hα-helixtrans-63.5-44.5173.6-59.40000111.4L419 M421 T427L419-T423 VanDerWaalsContact O-CB 3.23Å; L419-T423 WeakPolarHBondContact O-CB 3.25Å; L419-T423 PolarHBondContact O-N 2.92Å; L419-T423 PolarHBondContact O-OG1 3.43Å; M421-T423 VanDerWaalsContact C-N 3.31Å; M421-T423 PolarHBondContact O-N 3.29Å; T423-T427 VanDerWaalsContact O-CB 3.31Å; T423-T427 WeakPolarHBondContact O-CB 3.37Å; T423-T427 PolarHBondContact O-N 3.06Å; T423-T427 PolarHBondContact O-OG1 3.34Å
424N94.3Very high92.6Very high56 Ų5637.2 Ų37.230%0.29919%0.186SC..Hα-helixtrans-64.8-46.9177.4-71.8-26.2000111.8L302 Y331 D420 M421 T427 C428L302-N424 HydrophobicContact CD2-CB 3.85Å; Y331-N424 PolarHBondContact OH-ND2 3.45Å; D420-N424 WeakPolarHBondContact O-CB 3.36Å; D420-N424 PolarHBondContact O-N 3.07Å; D420-N424 PolarHBondContact O-ND2 2.89Å; D420-N424 VanDerWaalsContact O-ND2 3.15Å; M421-N424 PolarHBondContact O-N 3.23Å; N424-T427 PolarHBondContact O-N 3.21Å; N424-C428 PolarHBondContact O-N 3.1Å; N424-C428 VanDerWaalsContact O-N 3.12Å; N424-C428 PolarHBondContact O-SG 3.14Å
425I95.6Very high92.8Very high0 Ų036.4 Ų36.40%018%0.183CC..Hα-helixtrans-58.2-54.1176-68.3164.8000110.3Y283 I287 V298 V300 Y331 L333 M421 T427 C428 L429Y283-I425 HydrophobicContact CE2-CG2 4.03Å; Y283-I425 WeakPolarHBondContact OH-CG2 3.26Å; I287-I425 HydrophobicContact CD1-CG2 3.81Å; I287-I425 HydrophobicContact CG1-CG2 3.72Å; V298-I425 HydrophobicContact CG1-CD1 4.45Å; V300-I425 HydrophobicContact CG2-CG1 3.84Å; Y331-I425 HydrophobicContact CD2-CD1 4.47Å; Y331-I425 HydrophobicContact CD2-CG1 4.44Å; L333-I425 HydrophobicContact CD2-CD1 4.23Å; M421-I425 HydrophobicContact CG-CD1 3.8Å; M421-I425 WeakPolarHBondContact O-CG1 3.39Å; M421-I425 PolarHBondContact O-N 3.37Å; I425-T427 VanDerWaalsContact C-N 3.31Å; I425-T427 PolarHBondContact O-N 2.95Å; I425-C428 PolarHBondContact O-N 3.22Å; I425-L429 HydrophobicContact CG2-CD1 3.88Å; I425-L429 HydrophobicContact CG2-CG 4.3Å; I425-L429 WeakPolarHBondContact O-CG 3.43Å; I425-L429 PolarHBondContact O-N 3.31Å
426A94.4Very high93.1Very high11 Ų1134.8 Ų34.89%0.09118%0.177CC..Hα-helixtrans-63.8-34.6-177.100000112.6F349 I356 H422 L429 A430F349-A426 HydrophobicContact CE2-CB 4.18Å; F349-A426 HydrophobicContact CZ-CB 4.38Å; F349-A426 WeakPolarHBondContact CZ-O 3.31Å; I356-A426 HydrophobicContact CD1-CB 3.57Å; H422-A426 WeakPolarHBondContact O-CB 3.38Å; H422-A426 PolarHBondContact O-N 3.24Å; A426-L429 PolarHBondContact O-N 3.22Å; A426-A430 VanDerWaalsContact O-CB 3.26Å; A426-A430 WeakPolarHBondContact O-CB 3.48Å; A426-A430 PolarHBondContact O-N 3.39Å
427T93.5Very high93.4Very high59 Ų5933.7 Ų33.736%0.36217%0.174SC..Hα-helixtrans-64.7-43.8174.8-57.50000111.4A305 T423 N424 I425 N431A305-T427 HydrophobicContact CB-CG2 3.92Å; T423-T427 VanDerWaalsContact O-CB 3.31Å; T423-T427 WeakPolarHBondContact O-CB 3.37Å; T423-T427 PolarHBondContact O-N 3.06Å; T423-T427 PolarHBondContact O-OG1 3.34Å; N424-T427 PolarHBondContact O-N 3.21Å; I425-T427 VanDerWaalsContact C-N 3.31Å; I425-T427 PolarHBondContact O-N 2.95Å; T427-N431 PolarHBondContact O-N 3.49Å
428C94.2Very high93.5Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-65-46.5176.1-59.50000111.3F291 L304 N424 I425 A430 N431 V432F291-C428 HydrophobicContact CE2-CB 4.4Å; F291-C428 HydrophobicContact CZ-CB 3.68Å; L304-C428 HydrophobicContact CB-CB 4.02Å; N424-C428 PolarHBondContact O-N 3.1Å; N424-C428 VanDerWaalsContact O-N 3.12Å; N424-C428 PolarHBondContact O-SG 3.14Å; I425-C428 PolarHBondContact O-N 3.22Å; C428-A430 PolarHBondContact O-N 3.26Å; C428-N431 PolarHBondContact O-N 2.83Å; C428-V432 VanDerWaalsContact O-CG2 3.31Å; C428-V432 WeakPolarHBondContact O-CG2 3.43Å; C428-V432 PolarHBondContact O-N 3.2Å
429L94.6Very high93.5Very high0 Ų031 Ų310%017%0.165CC..Hα-helixtrans-60.2-43.3177-69.2177.4000112.3Y283 L286 I287 I290 F291 F349 I425 A426 N431 V432 I433Y283-L429 HydrophobicContact CD2-CD1 3.99Å; Y283-L429 HydrophobicContact CE2-CD1 3.81Å; L286-L429 HydrophobicContact CB-CD1 4.22Å; L286-L429 HydrophobicContact CB-CD2 4.27Å; I287-L429 HydrophobicContact CG1-CD1 3.81Å; I290-L429 HydrophobicContact CB-CD2 3.9Å; I290-L429 HydrophobicContact CG1-CD2 3.75Å; I290-L429 HydrophobicContact CG2-CD2 4.24Å; F291-L429 HydrophobicContact CD2-CD2 4.23Å; F291-L429 HydrophobicContact CE2-CD2 3.68Å; F291-L429 HydrophobicContact CE2-CG 4.05Å; F349-L429 HydrophobicContact CD2-CD1 4.41Å; F349-L429 HydrophobicContact CE2-CB 3.8Å; F349-L429 HydrophobicContact CE2-CD1 4.04Å; F349-L429 HydrophobicContact CZ-CB 4.05Å; I425-L429 HydrophobicContact CG2-CD1 3.88Å; I425-L429 HydrophobicContact CG2-CG 4.3Å; I425-L429 WeakPolarHBondContact O-CG 3.43Å; I425-L429 PolarHBondContact O-N 3.31Å; A426-L429 PolarHBondContact O-N 3.22Å; L429-N431 VanDerWaalsContact C-N 3.31Å; L429-N431 PolarHBondContact O-N 3.47Å; L429-V432 PolarHBondContact O-N 3.36Å; L429-I433 HydrophobicContact CB-CD1 4.35Å; L429-I433 WeakPolarHBondContact O-CB 3.33Å; L429-I433 WeakPolarHBondContact O-CD1 3.5Å; L429-I433 WeakPolarHBondContact O-CG1 3.41Å; L429-I433 PolarHBondContact O-N 2.79Å
430A93.3Very high93.6Very high34 Ų3432 Ų3228%0.28117%0.172SC..Hα-helixtrans-59.2-41.4179.300000112.3F349 A426 C428 K434F349-A430 HydrophobicContact CE1-CB 4.09Å; F349-A430 HydrophobicContact CZ-CB 3.98Å; A426-A430 VanDerWaalsContact O-CB 3.26Å; A426-A430 WeakPolarHBondContact O-CB 3.48Å; A426-A430 PolarHBondContact O-N 3.39Å; C428-A430 PolarHBondContact O-N 3.26Å; A430-K434 WeakPolarHBondContact O-CB 3.21Å; A430-K434 PolarHBondContact O-N 2.93Å; A430-K434 VanDerWaalsContact O-N 3.09Å
431N92.1Very high93.7Very high27 Ų2728 Ų2814%0.14415%0.151CC..Hα-helixtrans-68-44.3174.8-71.2-14.5000111.6L304 A305 T427 C428 L429 K434 D435L304-N431 WeakPolarHBondContact O-CB 3.1Å; L304-N431 PolarHBondContact O-ND2 2.81Å; A305-N431 WeakPolarHBondContact CA-ND2 3.11Å; A305-N431 PolarHBondContact O-ND2 2.99Å; T427-N431 PolarHBondContact O-N 3.49Å; C428-N431 PolarHBondContact O-N 2.83Å; L429-N431 VanDerWaalsContact C-N 3.31Å; L429-N431 PolarHBondContact O-N 3.47Å; N431-K434 WeakPolarHBondContact O-CB 3.07Å; N431-K434 PolarHBondContact O-N 2.82Å; N431-D435 WeakPolarHBondContact O-CB 3.36Å; N431-D435 PolarHBondContact O-N 3.23Å
432V92.7Very high93.6Very high15 Ų1528.2 Ų28.29%0.09115%0.152CC..Hα-helixtrans-63.5-45.3179.6173.50000111.7I290 L304 C428 L429 K434 D435 R436 I438I290-V432 HydrophobicContact CD1-CG1 3.68Å; I290-V432 HydrophobicContact CG1-CG1 4.09Å; I290-V432 HydrophobicContact CG2-CG1 4.23Å; I290-V432 HydrophobicContact CG2-CG2 4.35Å; L304-V432 HydrophobicContact CB-CG2 4.34Å; L304-V432 HydrophobicContact CD1-CG2 4.12Å; L304-V432 HydrophobicContact CD2-CG2 4.22Å; L304-V432 HydrophobicContact CG-CG2 4.47Å; C428-V432 VanDerWaalsContact O-CG2 3.31Å; C428-V432 WeakPolarHBondContact O-CG2 3.43Å; C428-V432 PolarHBondContact O-N 3.2Å; L429-V432 PolarHBondContact O-N 3.36Å; V432-K434 VanDerWaalsContact C-N 3.3Å; V432-K434 PolarHBondContact O-N 3.36Å; V432-D435 PolarHBondContact O-N 2.98Å; V432-R436 WeakPolarHBondContact O-CB 3.49Å; V432-R436 PolarHBondContact O-N 3.28Å; V432-I438 HydrophobicContact CG1-CD1 4.09Å
433I92.8Very high93.3Very high7 Ų732 Ų324%0.03617%0.17CC..Hα-helixtrans-60.9-40175.4-67162.3000110.9L286 F349 L429 Q437 I438L286-I433 HydrophobicContact CD1-CD1 3.85Å; L286-I433 HydrophobicContact CD2-CD1 4.07Å; L286-I433 HydrophobicContact CD2-CG1 4.12Å; F349-I433 HydrophobicContact CD1-CD1 3.77Å; F349-I433 HydrophobicContact CD2-CD1 4.38Å; F349-I433 HydrophobicContact CE1-CD1 3.95Å; F349-I433 HydrophobicContact CG-CD1 4Å; F349-I433 HydrophobicContact CZ-CD1 4.35Å; L429-I433 HydrophobicContact CB-CD1 4.35Å; L429-I433 WeakPolarHBondContact O-CB 3.33Å; L429-I433 WeakPolarHBondContact O-CD1 3.5Å; L429-I433 WeakPolarHBondContact O-CG1 3.41Å; L429-I433 PolarHBondContact O-N 2.79Å; I433-Q437 VanDerWaalsContact O-CA 3.22Å; I433-Q437 WeakPolarHBondContact O-CA 3.48Å; I433-Q437 PolarHBondContact O-N 3.44Å; I433-I438 HydrophobicContact CG1-CD1 4.28Å; I433-I438 PolarHBondContact O-N 3.23Å
434K91.6Very high93.1Very high103 Ų10330.7 Ų30.745%0.44816%0.161SC..Hα-helixtrans-65.7-53.6176.5172.2175.2179.3-159.60112.3A430 N431 V432 Q437 L587A430-K434 WeakPolarHBondContact O-CB 3.21Å; A430-K434 PolarHBondContact O-N 2.93Å; A430-K434 VanDerWaalsContact O-N 3.09Å; N431-K434 WeakPolarHBondContact O-CB 3.07Å; N431-K434 PolarHBondContact O-N 2.82Å; V432-K434 VanDerWaalsContact C-N 3.3Å; V432-K434 PolarHBondContact O-N 3.36Å; K434-Q437 WeakPolarHBondContact O-CG 3.37Å; K434-Q437 PolarHBondContact O-N 2.87Å; K434-L587 HydrophobicContact CB-CD1 3.61Å; K434-L587 HydrophobicContact CD-CD1 3.69Å; K434-L587 HydrophobicContact CG-CD1 3.51Å
435D91Very high92.9Very high46 Ų4628 Ų2825%0.24615%0.146CC..Hα-helixtrans-75.7-32.7-168.6-73.2-28.4000112.1N431 V432N431-D435 WeakPolarHBondContact O-CB 3.36Å; N431-D435 PolarHBondContact O-N 3.23Å; V432-D435 PolarHBondContact O-N 2.98Å
436R94.2Very high92.5Very high42 Ų4230.9 Ų30.916%0.15816%0.162CC..Hα-helixtrans-83.8-16.2170.4-74.3162.165.1-178.9-8.1113.5V432 I438 G470 T471 D474V432-R436 WeakPolarHBondContact O-CB 3.49Å; V432-R436 PolarHBondContact O-N 3.28Å; R436-I438 VanDerWaalsContact C-N 3.31Å; R436-I438 HydrophobicContact CB-CD1 4.37Å; R436-I438 HydrophobicContact CB-CG1 3.68Å; R436-I438 PolarHBondContact O-N 3.08Å; R436-G470 WeakPolarHBondContact O-CA 3.17Å; R436-G470 PolarHBondContact O-N 3.25Å; R436-T471 HydrophobicContact CG-CG2 3.87Å; R436-D474 IonicContact CZ-OD1 3.98Å; R436-D474 VanDerWaalsContact CZ-OD1 3.28Å; R436-D474 IonicContact CZ-OD2 2.61Å; R436-D474 IonicContact NE-OD1 2.83Å; R436-D474 PolarHBondContact NE-OD1 3.48Å; R436-D474 IonicContact NE-OD2 2.64Å; R436-D474 PolarHBondContact NE-OD2 3Å; R436-D474 IonicContact NH2-OD1 2.68Å; R436-D474 PolarHBondContact NH2-OD1 3.23Å; R436-D474 IonicContact NH2-OD2 3.32Å; R436-D474 PolarHBondContact NH2-OD2 2.86Å
437Q94.9Very high92Very high79 Ų7934.2 Ų34.237%0.36918%0.175SC..THydrogen-bonded Turntrans52.646.1-168.1-56.8-1704.600112.8I433 K434 H439 S440 I469I433-Q437 VanDerWaalsContact O-CA 3.22Å; I433-Q437 WeakPolarHBondContact O-CA 3.48Å; I433-Q437 PolarHBondContact O-N 3.44Å; K434-Q437 WeakPolarHBondContact O-CG 3.37Å; K434-Q437 PolarHBondContact O-N 2.87Å; Q437-H439 PolarHBondContact O-N 3.09Å; Q437-S440 WeakPolarHBondContact O-CB 3.35Å; Q437-S440 PolarHBondContact O-N 3.46Å; Q437-I469 HydrophobicContact CB-CB 4.34Å; Q437-I469 HydrophobicContact CB-CG2 4.29Å; Q437-I469 VanDerWaalsContact CD-CG2 3.47Å; Q437-I469 HydrophobicContact CG-CG2 4.04Å; Q437-I469 VanDerWaalsContact OE1-CG2 3.32Å
438I94.2Very high91.6Very high2 Ų231.5 Ų31.51%0.0116%0.158CC..Hα-helixtrans-53-35.2-174.5-60.9-177.9000112.3H279 L281 I290 V432 I433 R436 S440 F441 A442H279-I438 HydrophobicContact CB-CG2 3.96Å; L281-I438 HydrophobicContact CD2-CG2 4.07Å; I290-I438 HydrophobicContact CD1-CD1 4.22Å; V432-I438 HydrophobicContact CG1-CD1 4.09Å; I433-I438 HydrophobicContact CG1-CD1 4.28Å; I433-I438 PolarHBondContact O-N 3.23Å; R436-I438 VanDerWaalsContact C-N 3.31Å; R436-I438 HydrophobicContact CB-CD1 4.37Å; R436-I438 HydrophobicContact CB-CG1 3.68Å; R436-I438 PolarHBondContact O-N 3.08Å; I438-S440 PolarHBondContact O-N 3.31Å; I438-F441 PolarHBondContact O-N 2.7Å; I438-A442 PolarHBondContact O-N 2.89Å
439H92.1Very high90.9Very high37 Ų3732.7 Ų32.717%0.17117%0.165CC..Hα-helixtrans-56.6-31.9177.464.6-80.7000114.2L281 Q437 E443L281-H439 HydrophobicContact CD1-CB 4.3Å; Q437-H439 PolarHBondContact O-N 3.09Å; H439-E443 WeakPolarHBondContact O-CB 3.44Å; H439-E443 PolarHBondContact O-N 2.88Å
440S93.4Very high90Very high27 Ų2733.5 Ų33.519%0.18917%0.172CC..Hα-helixtrans-73.2-29.9177.1-51.70000112.8Q437 I438Q437-S440 WeakPolarHBondContact O-CB 3.35Å; Q437-S440 PolarHBondContact O-N 3.46Å; I438-S440 PolarHBondContact O-N 3.31Å
441F94.8Very high88.8Confident0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-74.4-46.4172.6-67.6-93.4000110.2I438 E443 E444 E445 I469 D474 K475 L478I438-F441 PolarHBondContact O-N 2.7Å; F441-E443 PolarHBondContact O-N 3.48Å; F441-E444 PolarHBondContact O-N 3.33Å; F441-E445 WeakPolarHBondContact O-CB 3.18Å; F441-E445 VanDerWaalsContact O-CG 3.25Å; F441-E445 WeakPolarHBondContact O-CG 3.25Å; F441-E445 PolarHBondContact O-N 3.15Å; F441-I469 HydrophobicContact CE2-CD1 4.39Å; F441-I469 HydrophobicContact CE2-CG1 4.28Å; F441-I469 HydrophobicContact CZ-CD1 4.46Å; F441-I469 HydrophobicContact CZ-CG1 4.26Å; F441-D474 HydrophobicContact CD1-CB 4.12Å; F441-D474 HydrophobicContact CE1-CB 4.05Å; F441-D474 HydrophobicContact CE2-CB 4.48Å; F441-D474 HydrophobicContact CG-CB 4.39Å; F441-D474 HydrophobicContact CZ-CB 4.25Å; F441-K475 HydrophobicContact CE1-CG 3.88Å; F441-K475 HydrophobicContact CZ-CG 4.11Å; F441-L478 HydrophobicContact CD1-CB 4.15Å; F441-L478 HydrophobicContact CD1-CD2 3.84Å; F441-L478 HydrophobicContact CE1-CD2 4.09Å
442A92.7Very high87Confident4 Ų439.1 Ų39.13%0.03319%0.193CC..Hα-helixtrans-56-45.117700000112.9H279 L281 I438 E445 D446H279-A442 HydrophobicContact CB-CB 4.05Å; H279-A442 WeakPolarHBondContact O-CB 3.37Å; L281-A442 HydrophobicContact CD1-CB 3.99Å; L281-A442 HydrophobicContact CG-CB 4.11Å; I438-A442 PolarHBondContact O-N 2.89Å; A442-E445 PolarHBondContact O-N 2.97Å; A442-D446 WeakPolarHBondContact O-CB 3.37Å; A442-D446 PolarHBondContact O-N 3Å
443E89.4Confident85.1Confident79 Ų7941.7 Ų41.737%0.36921%0.212SC..Hα-helixtrans-62.7-43.7179.1-177.7177.6-177.100112.7H439 F441 H447 L594H439-E443 WeakPolarHBondContact O-CB 3.44Å; H439-E443 PolarHBondContact O-N 2.88Å; F441-E443 PolarHBondContact O-N 3.48Å; E443-H447 VanDerWaalsContact O-CG 3.23Å; E443-H447 PolarHBondContact O-N 3Å; E443-H447 VanDerWaalsContact O-N 3.09Å; E443-H447 PolarHBondContact O-ND1 3.4Å; E443-H447 IonicContact OE1-CE1 2.87Å; E443-L594 VanDerWaalsContact CD-CD2 3.43Å; E443-L594 HydrophobicContact CG-CD2 4.21Å; E443-L594 WeakPolarHBondContact OE2-CD2 3.09Å
444E89.6Confident83.3Confident16 Ų1646.3 Ų46.38%0.07524%0.242CC..Hα-helixtrans-69.7-38.3177.2-171.972-153.900111.4F441 H447 I448 S455 S459 L463 L478F441-E444 PolarHBondContact O-N 3.33Å; E444-H447 PolarHBondContact O-N 2.62Å; E444-I448 HydrophobicContact CG-CD1 4.04Å; E444-I448 WeakPolarHBondContact O-CB 3.15Å; E444-I448 WeakPolarHBondContact O-CD1 3.25Å; E444-I448 WeakPolarHBondContact O-CG1 3.15Å; E444-I448 PolarHBondContact O-N 3.05Å; E444-S455 WeakPolarHBondContact OE1-CB 3.18Å; E444-S459 WeakPolarHBondContact OE2-CB 3.43Å; E444-S459 PolarHBondContact OE2-OG 2.85Å; E444-L463 HydrophobicContact CB-CD1 3.71Å; E444-L463 HydrophobicContact CG-CD1 3.92Å; E444-L478 HydrophobicContact CB-CD1 4.29Å; E444-L478 HydrophobicContact CG-CD1 4.05Å
445E91Very high81.5Confident0 Ų042 Ų420%023%0.225CC..Hα-helixtrans-64.7-44.2175.4-71.3170.9-164.200112.2H278 H279 F441 A442 H447 I448 L449 L478 I481H278-E445 WeakPolarHBondContact CA-OE2 3.35Å; H278-E445 IonicContact CD2-OE2 2.81Å; H278-E445 PolarHBondContact CD2-OE2 3.03Å; H279-E445 IonicContact CE1-OE1 3.26Å; H279-E445 PolarHBondContact CE1-OE1 3.04Å; H279-E445 IonicContact CG-OE1 2.66Å; H279-E445 IonicContact CG-OE2 3.68Å; H279-E445 PolarHBondContact N-OE2 3.29Å; H279-E445 IonicContact ND1-OE1 3.52Å; H279-E445 PolarHBondContact ND1-OE1 3.38Å; H279-E445 IonicContact ND1-OE2 3.17Å; H279-E445 PolarHBondContact ND1-OE2 3.26Å; F441-E445 WeakPolarHBondContact O-CB 3.18Å; F441-E445 VanDerWaalsContact O-CG 3.25Å; F441-E445 WeakPolarHBondContact O-CG 3.25Å; F441-E445 PolarHBondContact O-N 3.15Å; A442-E445 PolarHBondContact O-N 2.97Å; E445-H447 VanDerWaalsContact C-N 3.34Å; E445-H447 PolarHBondContact O-N 3.09Å; E445-I448 PolarHBondContact O-N 2.76Å; E445-L449 WeakPolarHBondContact O-CB 3.31Å; E445-L449 WeakPolarHBondContact O-CG 3.42Å; E445-L449 PolarHBondContact O-N 3.08Å; E445-L478 HydrophobicContact CG-CD1 3.72Å; E445-I481 HydrophobicContact CB-CD1 4.5Å; E445-I481 VanDerWaalsContact CD-CD1 3.43Å; E445-I481 HydrophobicContact CG-CD1 3.79Å; E445-I481 HydrophobicContact CG-CG2 4.35Å; E445-I481 WeakPolarHBondContact OE2-CD1 3.43Å
446D86.5Confident80Confident60 Ų6043.5 Ų43.532%0.32124%0.236SC..Hα-helixtrans-59.5-43.4173.7-97.1-32.6000111.2H278 A442 I448 L449 A450H278-D446 IonicContact CE1-OD1 3.28Å; H278-D446 IonicContact NE2-OD1 3.66Å; A442-D446 WeakPolarHBondContact O-CB 3.37Å; A442-D446 PolarHBondContact O-N 3Å; D446-I448 PolarHBondContact O-N 3.24Å; D446-L449 PolarHBondContact O-N 2.99Å; D446-A450 WeakPolarHBondContact O-CB 3.5Å; D446-A450 PolarHBondContact O-N 3.15Å
447H84Confident78.8Confident81 Ų8144.5 Ų44.538%0.37524%0.243SC..Hα-helixtrans-60.9-43.2175.7-71.5158.3000112.3E443 E444 E445 K451E443-H447 VanDerWaalsContact O-CG 3.23Å; E443-H447 PolarHBondContact O-N 3Å; E443-H447 VanDerWaalsContact O-N 3.09Å; E443-H447 PolarHBondContact O-ND1 3.4Å; E443-H447 IonicContact OE1-CE1 2.87Å; E444-H447 PolarHBondContact O-N 2.62Å; E445-H447 VanDerWaalsContact C-N 3.34Å; E445-H447 PolarHBondContact O-N 3.09Å; H447-K451 PolarHBondContact O-N 2.85Å
448I83.9Confident78Confident2 Ų247.7 Ų47.71%0.0126%0.258CS..Hα-helixtrans-64.6-50177-72164.8000111E444 E445 D446 A450 K451 L478 I481 A482 A485 F518E444-I448 HydrophobicContact CG-CD1 4.04Å; E444-I448 WeakPolarHBondContact O-CB 3.15Å; E444-I448 WeakPolarHBondContact O-CD1 3.25Å; E444-I448 WeakPolarHBondContact O-CG1 3.15Å; E444-I448 PolarHBondContact O-N 3.05Å; E445-I448 PolarHBondContact O-N 2.76Å; D446-I448 PolarHBondContact O-N 3.24Å; I448-A450 PolarHBondContact O-N 2.82Å; I448-K451 PolarHBondContact O-N 3.15Å; I448-L478 HydrophobicContact CD1-CD1 4.14Å; I448-I481 HydrophobicContact CG2-CG2 4.1Å; I448-A482 HydrophobicContact CD1-CB 3.98Å; I448-A485 HydrophobicContact CG2-CB 3.35Å; I448-F518 HydrophobicContact CG1-CE1 4.26Å; I448-F518 HydrophobicContact CG2-CE1 4.4Å
449L81Confident77.6Confident26 Ų2649.6 Ų49.614%0.13627%0.271CS..Hα-helixtrans-69.1-32.9-177.9-71.3175.2000113.1A274 H278 E445 D446 K451 I481 L601A274-L449 HydrophobicContact CB-CD2 3.89Å; H278-L449 VanDerWaalsContact CD2-CD1 3.43Å; H278-L449 WeakPolarHBondContact CD2-CD1 3.38Å; E445-L449 WeakPolarHBondContact O-CB 3.31Å; E445-L449 WeakPolarHBondContact O-CG 3.42Å; E445-L449 PolarHBondContact O-N 3.08Å; D446-L449 PolarHBondContact O-N 2.99Å; L449-K451 VanDerWaalsContact C-N 3.29Å; L449-I481 HydrophobicContact CD2-CG2 4.17Å; L449-I481 HydrophobicContact CG-CG2 4.2Å; L449-L601 HydrophobicContact CD1-CD2 4.18Å
450A74.7Confident77.4Confident17 Ų1747.9 Ų47.914%0.1426%0.263CS..Hα-helixtrans-77.5-13.4176.700000113.5D446 I448 N452D446-A450 WeakPolarHBondContact O-CB 3.5Å; D446-A450 PolarHBondContact O-N 3.15Å; I448-A450 PolarHBondContact O-N 2.82Å; A450-N452 HydrophobicContact CB-CB 3.99Å; A450-N452 PolarHBondContact O-N 2.93Å; A450-N452 VanDerWaalsContact O-N 3.08Å; A450-N452 PolarHBondContact O-OD1 3.48Å
451K68.2Low77.1Confident73 Ų7347.9 Ų47.932%0.31726%0.262SS..THydrogen-bonded Turntrans54.719.1-172.8-54.7-179.5-177.7174.50113.5H447 I448 L449 S453 D561H447-K451 PolarHBondContact O-N 2.85Å; I448-K451 PolarHBondContact O-N 3.15Å; L449-K451 VanDerWaalsContact C-N 3.29Å; K451-S453 VanDerWaalsContact C-N 3.32Å; K451-S453 PolarHBondContact O-N 3.43Å; K451-D561 WeakPolarHBondContact CD-OD2 3.47Å; K451-D561 WeakPolarHBondContact CE-OD2 3.26Å; K451-D561 IonicContact NZ-OD1 2.74Å; K451-D561 PolarHBondContact NZ-OD1 3.39Å; K451-D561 IonicContact NZ-OD2 2.87Å; K451-D561 PolarHBondContact NZ-OD2 2.66Å
452N54.8Low77Confident105 Ų10554.5 Ų54.556%0.56129%0.293SS*.  trans-86.31.5-164.5-89.5-20.2000114.2A450A450-N452 HydrophobicContact CB-CB 3.99Å; A450-N452 PolarHBondContact O-N 2.93Å; A450-N452 VanDerWaalsContact O-N 3.08Å; A450-N452 PolarHBondContact O-OD1 3.48Å
453S52.7Low77Confident70 Ų7055.4 Ų55.449%0.4930%0.297SS..SBendtrans-160.3157.3168-81.20000109.8K451 S455K451-S453 VanDerWaalsContact C-N 3.32Å; K451-S453 PolarHBondContact O-N 3.43Å; S453-S455 PolarHBondContact O-N 2.96Å
454P54Low77.1Confident103 Ų10351.6 Ų51.667%0.66928%0.28SS*.  trans-68.885.8159.531.1-32.4000107.9T456P454-T456 PolarHBondContact O-N 3.23Å; P454-T456 PolarHBondContact O-OG1 3.05Å
455S54.7Low77.2Confident13 Ų1353 Ų539%0.09129%0.291CS..  trans-49.6112163.1300000106.7E444 S453 E457 F518E444-S455 WeakPolarHBondContact OE1-CB 3.18Å; S453-S455 PolarHBondContact O-N 2.96Å; S455-E457 PolarHBondContact O-N 3.38Å; S455-F518 WeakPolarHBondContact O-CD2 3.46Å; S455-F518 WeakPolarHBondContact O-CE2 3.45Å; S455-F518 WeakPolarHBondContact OG-CD2 3.28Å
456T60Low77.3Confident78 Ų7855.3 Ų55.348%0.47930%0.303SS..  trans-73.2132.9-171.8-53.70000106.8P454 Q458 S459P454-T456 PolarHBondContact O-N 3.23Å; P454-T456 PolarHBondContact O-OG1 3.05Å; T456-Q458 HydrophobicContact CG2-CB 3.96Å; T456-Q458 HydrophobicContact CG2-CG 3.91Å; T456-Q458 CarbonylContact O-C 3.57Å; T456-Q458 PolarHBondContact O-N 2.57Å; T456-S459 PolarHBondContact O-N 2.74Å
457E68.9Low77.4Confident63 Ų6357.7 Ų57.729%0.29432%0.322SS..Hα-helixtrans-45.6-27178-166.6-158.1174.400112.7S455 T461 R527S455-E457 PolarHBondContact O-N 3.38Å; E457-T461 VanDerWaalsContact O-CB 3.26Å; E457-T461 WeakPolarHBondContact O-CB 3.46Å; E457-T461 PolarHBondContact O-N 3.08Å; E457-T461 PolarHBondContact O-OG1 3.37Å; E457-R527 IonicContact OE1-CZ 2.7Å; E457-R527 VanDerWaalsContact OE1-CZ 3.26Å; E457-R527 IonicContact OE1-NE 2.72Å; E457-R527 PolarHBondContact OE1-NE 2.77Å; E457-R527 IonicContact OE1-NH2 3.59Å; E457-R527 PolarHBondContact OE1-NH2 3.37Å
458Q77.7Confident77.7Confident146 Ų14658 Ų5868%0.68233%0.333SS*.Hα-helixtrans-56.5-49.1171-64.6176.3-0.700114.1T456 T461 E462T456-Q458 HydrophobicContact CG2-CB 3.96Å; T456-Q458 HydrophobicContact CG2-CG 3.91Å; T456-Q458 CarbonylContact O-C 3.57Å; T456-Q458 PolarHBondContact O-N 2.57Å; Q458-T461 PolarHBondContact O-N 2.98Å; Q458-E462 WeakPolarHBondContact O-CB 3.47Å; Q458-E462 PolarHBondContact O-N 3.41Å
459S85.5Confident78.1Confident42 Ų4258.2 Ų58.229%0.29434%0.335SS..Hα-helixtrans-62.2-51.6-179.8-1710000111E444 T456 T461 E462 L463E444-S459 WeakPolarHBondContact OE2-CB 3.43Å; E444-S459 PolarHBondContact OE2-OG 2.85Å; T456-S459 PolarHBondContact O-N 2.74Å; S459-T461 VanDerWaalsContact C-N 3.3Å; S459-T461 PolarHBondContact O-N 3.05Å; S459-E462 WeakPolarHBondContact O-CB 3.07Å; S459-E462 PolarHBondContact O-N 3.41Å; S459-E462 VanDerWaalsContact O-N 3.08Å; S459-L463 PolarHBondContact O-N 3.46Å
460L87.1Confident78.7Confident1 Ų157.8 Ų57.81%0.00534%0.336CS..Hα-helixtrans-54.8-44.6173.5179.263.3000112.3I464 L478 A482 L520 L528L460-I464 HydrophobicContact CD1-CD1 3.68Å; L460-I464 HydrophobicContact CD1-CG1 4.32Å; L460-I464 HydrophobicContact CG-CD1 3.95Å; L460-I464 WeakPolarHBondContact O-CB 3.33Å; L460-I464 VanDerWaalsContact O-CG1 3.26Å; L460-I464 WeakPolarHBondContact O-CG1 3.46Å; L460-I464 PolarHBondContact O-N 3.07Å; L460-I464 VanDerWaalsContact O-N 3.11Å; L460-L478 HydrophobicContact CD1-CD1 3.99Å; L460-L478 HydrophobicContact CD1-CD2 3.79Å; L460-L478 HydrophobicContact CD1-CG 3.54Å; L460-A482 HydrophobicContact CD1-CB 4.13Å; L460-A482 HydrophobicContact CD2-CB 3.74Å; L460-L520 HydrophobicContact CD2-CD1 3.77Å; L460-L520 HydrophobicContact CD2-CD2 4.13Å; L460-L520 HydrophobicContact CD2-CG 4.45Å; L460-L528 HydrophobicContact CD2-CD1 3.55Å; L460-L528 HydrophobicContact CG-CD1 3.99Å
461T88.6Confident79.7Confident27 Ų2759 Ų5917%0.16634%0.342CS..Hα-helixtrans-65-40.4177.2-58.20000111.4E457 Q458 S459 S465 R527 L528 L531E457-T461 VanDerWaalsContact O-CB 3.26Å; E457-T461 WeakPolarHBondContact O-CB 3.46Å; E457-T461 PolarHBondContact O-N 3.08Å; E457-T461 PolarHBondContact O-OG1 3.37Å; Q458-T461 PolarHBondContact O-N 2.98Å; S459-T461 VanDerWaalsContact C-N 3.3Å; S459-T461 PolarHBondContact O-N 3.05Å; T461-S465 WeakPolarHBondContact O-CB 3.45Å; T461-S465 PolarHBondContact O-N 2.96Å; T461-S465 PolarHBondContact O-OG 3.49Å; T461-R527 PolarHBondContact OG1-NH2 3.12Å; T461-L528 HydrophobicContact CG2-CD2 4.42Å; T461-L531 HydrophobicContact CG2-CD1 4.21Å
462E91.8Very high81Confident139 Ų13957.7 Ų57.765%0.6534%0.341SS*.Hα-helixtrans-64-49.8179.6-174.9169.2-178.600111.4Q458 S459 I464 S465 N466Q458-E462 WeakPolarHBondContact O-CB 3.47Å; Q458-E462 PolarHBondContact O-N 3.41Å; S459-E462 WeakPolarHBondContact O-CB 3.07Å; S459-E462 PolarHBondContact O-N 3.41Å; S459-E462 VanDerWaalsContact O-N 3.08Å; E462-I464 PolarHBondContact O-N 3.3Å; E462-S465 PolarHBondContact O-N 2.97Å; E462-N466 VanDerWaalsContact O-CB 3.26Å; E462-N466 WeakPolarHBondContact O-CB 3.21Å; E462-N466 PolarHBondContact O-N 2.83Å
463L92.7Very high83Confident22 Ų2255.4 Ų55.412%0.11533%0.327CS..Hα-helixtrans-61-45.2177.9-68.3176.2000112.6E444 S459 I469 L478E444-L463 HydrophobicContact CB-CD1 3.71Å; E444-L463 HydrophobicContact CG-CD1 3.92Å; S459-L463 PolarHBondContact O-N 3.46Å; L463-I469 HydrophobicContact CD2-CD1 3.6Å; L463-L478 HydrophobicContact CB-CD2 3.85Å; L463-L478 HydrophobicContact CD1-CD2 3.95Å
464I92.4Very high85.1Confident0 Ų052 Ų520%030%0.303CS..Hα-helixtrans-64.7-42.8177.4-68.2173.8000110.6L460 E462 K475 L478 L479 L528 L531 L532L460-I464 HydrophobicContact CD1-CD1 3.68Å; L460-I464 HydrophobicContact CD1-CG1 4.32Å; L460-I464 HydrophobicContact CG-CD1 3.95Å; L460-I464 WeakPolarHBondContact O-CB 3.33Å; L460-I464 VanDerWaalsContact O-CG1 3.26Å; L460-I464 WeakPolarHBondContact O-CG1 3.46Å; L460-I464 PolarHBondContact O-N 3.07Å; L460-I464 VanDerWaalsContact O-N 3.11Å; E462-I464 PolarHBondContact O-N 3.3Å; I464-K475 WeakPolarHBondContact O-CD 3.39Å; I464-K475 WeakPolarHBondContact O-CE 3.41Å; I464-K475 PolarHBondContact O-NZ 2.6Å; I464-L478 HydrophobicContact CG1-CD2 4.27Å; I464-L479 HydrophobicContact CD1-CB 4.1Å; I464-L479 HydrophobicContact CD1-CD1 4.46Å; I464-L528 HydrophobicContact CD1-CB 4.43Å; I464-L528 HydrophobicContact CD1-CD1 4.29Å; I464-L528 HydrophobicContact CD1-CD2 4.25Å; I464-L531 HydrophobicContact CG2-CD2 4.3Å; I464-L532 HydrophobicContact CG2-CB 4.1Å; I464-L532 HydrophobicContact CG2-CD1 4.12Å
465S91.6Very high87.1Confident45 Ų4547.2 Ų47.232%0.31527%0.272SS..Hα-helixtrans-75-29-175.3-55.40000114.1T461 E462 P467 L531T461-S465 WeakPolarHBondContact O-CB 3.45Å; T461-S465 PolarHBondContact O-N 2.96Å; T461-S465 PolarHBondContact O-OG 3.49Å; E462-S465 PolarHBondContact O-N 2.97Å; S465-P467 VanDerWaalsContact O-CD 3.27Å; S465-P467 WeakPolarHBondContact O-CD 3.38Å; S465-L531 WeakPolarHBondContact OG-CD1 3.1Å; S465-L531 WeakPolarHBondContact OG-CD2 3.34Å
466N92Very high89.1Confident48 Ų4846.7 Ų46.726%0.25727%0.268SS..  trans-70.9112.8-171.3-179.3-8.6000111.6E462 S468 I469 K475E462-N466 VanDerWaalsContact O-CB 3.26Å; E462-N466 WeakPolarHBondContact O-CB 3.21Å; E462-N466 PolarHBondContact O-N 2.83Å; N466-S468 PolarHBondContact O-N 2.97Å; N466-S468 WeakPolarHBondContact OD1-CB 3.25Å; N466-S468 PolarHBondContact OD1-N 3.41Å; N466-S468 PolarHBondContact OD1-OG 2.76Å; N466-I469 HydrophobicContact CB-CD1 4.13Å; N466-I469 HydrophobicContact CB-CG1 3.96Å; N466-K475 WeakPolarHBondContact O-CE 3.46Å; N466-K475 PolarHBondContact O-NZ 2.91Å
467P89.5Confident90.9Very high111 Ų11143 Ų4372%0.72125%0.245SC*.THydrogen-bonded Turntrans-77.2-7-17633.9-37.3000114S465S465-P467 VanDerWaalsContact O-CD 3.27Å; S465-P467 WeakPolarHBondContact O-CD 3.38Å
468S89.9Confident92.1Very high87 Ų8740 Ų4061%0.60823%0.231SC*.THydrogen-bonded Turntrans-91.8-6.4-176.169.50000114.4N466N466-S468 PolarHBondContact O-N 2.97Å; N466-S468 WeakPolarHBondContact OD1-CB 3.25Å; N466-S468 PolarHBondContact OD1-N 3.41Å; N466-S468 PolarHBondContact OD1-OG 2.76Å
469I93.1Very high92.9Very high7 Ų733 Ų334%0.03620%0.199CC..SBendtrans-133.1153.4-177.770.8176.3000110.6Q437 F441 L463 N466 K475Q437-I469 HydrophobicContact CB-CB 4.34Å; Q437-I469 HydrophobicContact CB-CG2 4.29Å; Q437-I469 VanDerWaalsContact CD-CG2 3.47Å; Q437-I469 HydrophobicContact CG-CG2 4.04Å; Q437-I469 VanDerWaalsContact OE1-CG2 3.32Å; F441-I469 HydrophobicContact CE2-CD1 4.39Å; F441-I469 HydrophobicContact CE2-CG1 4.28Å; F441-I469 HydrophobicContact CZ-CD1 4.46Å; F441-I469 HydrophobicContact CZ-CG1 4.26Å; L463-I469 HydrophobicContact CD2-CD1 3.6Å; N466-I469 HydrophobicContact CB-CD1 4.13Å; N466-I469 HydrophobicContact CB-CG1 3.96Å; I469-K475 VanDerWaalsContact O-CE 3.23Å; I469-K475 WeakPolarHBondContact O-CE 3.38Å
470G93.8Very high93.3Very high17 Ų1731 Ų3118%0.17519%0.185CC..SBendtrans65.3160.3-179.100000114.5R436 D474R436-G470 WeakPolarHBondContact O-CA 3.17Å; R436-G470 PolarHBondContact O-N 3.25Å; G470-D474 VanDerWaalsContact CA-OD2 3.31Å; G470-D474 WeakPolarHBondContact CA-OD2 3.47Å
471T95.3Very high93.6Very high42 Ų4231 Ų3126%0.25819%0.185SC..  trans-82.2167.9159.873.40000110.3R436 E473 D474 K475R436-T471 HydrophobicContact CG-CG2 3.87Å; T471-E473 PolarHBondContact O-N 2.82Å; T471-E473 WeakPolarHBondContact OG1-CB 3.34Å; T471-E473 PolarHBondContact OG1-N 3.26Å; T471-E473 VanDerWaalsContact OG1-N 3.15Å; T471-D474 PolarHBondContact N-OD2 2.76Å; T471-D474 PolarHBondContact O-N 2.85Å; T471-D474 PolarHBondContact OG1-N 2.91Å; T471-D474 VanDerWaalsContact OG1-N 3.08Å; T471-D474 PolarHBondContact OG1-OD1 2.9Å; T471-D474 PolarHBondContact OG1-OD2 2.89Å; T471-K475 WeakPolarHBondContact O-CG 3.31Å; T471-K475 PolarHBondContact O-N 3.46Å
472P95.6Very high93.7Very high45 Ų4529.7 Ų29.729%0.29218%0.177SC..Hα-helixtrans-58.1-28.4167.5-23.735.5000112.9L476 Y536 L539P472-L476 WeakPolarHBondContact O-CB 3.38Å; P472-L476 PolarHBondContact O-N 3.36Å; P472-Y536 HydrophobicContact CB-CD1 4.22Å; P472-Y536 HydrophobicContact CB-CD2 4.05Å; P472-Y536 HydrophobicContact CB-CE2 4.38Å; P472-Y536 HydrophobicContact CB-CG 3.96Å; P472-Y536 HydrophobicContact CG-CD1 3.65Å; P472-Y536 HydrophobicContact CG-CD2 4.29Å; P472-Y536 HydrophobicContact CG-CE1 3.75Å; P472-Y536 HydrophobicContact CG-CE2 4.39Å; P472-Y536 HydrophobicContact CG-CG 3.92Å; P472-L539 HydrophobicContact CB-CD1 3.97Å; P472-L539 HydrophobicContact CB-CD2 4.09Å
473E95.9Very high93.6Very high57 Ų5723.1 Ų23.127%0.26615%0.146SC..Hα-helixtrans-69.9-44.7176.5-168179.8141.100111.6T471 K475 L476 R477 S728 L731T471-E473 PolarHBondContact O-N 2.82Å; T471-E473 WeakPolarHBondContact OG1-CB 3.34Å; T471-E473 PolarHBondContact OG1-N 3.26Å; T471-E473 VanDerWaalsContact OG1-N 3.15Å; E473-K475 VanDerWaalsContact C-N 3.26Å; E473-K475 PolarHBondContact O-N 2.86Å; E473-L476 WeakPolarHBondContact O-CB 3.41Å; E473-L476 PolarHBondContact O-N 3.01Å; E473-R477 WeakPolarHBondContact O-CG 3.21Å; E473-R477 PolarHBondContact O-N 3.38Å; E473-S728 WeakPolarHBondContact OE1-CA 3.5Å; E473-S728 VanDerWaalsContact OE1-CB 3.25Å; E473-S728 WeakPolarHBondContact OE1-CB 3.26Å; E473-S728 PolarHBondContact OE1-OG 2.76Å; E473-L731 HydrophobicContact CG-CD2 3.59Å
474D97.2Very high93.3Very high0 Ų023 Ų230%015%0.146CC..Hα-helixtrans-58.7-42.4-179.6-53.2-6.4000110.8H279 R436 F441 G470 T471 R477 L478H279-D474 IonicContact NE2-OD1 3.41Å; R436-D474 IonicContact CZ-OD1 3.98Å; R436-D474 VanDerWaalsContact CZ-OD1 3.28Å; R436-D474 IonicContact CZ-OD2 2.61Å; R436-D474 IonicContact NE-OD1 2.83Å; R436-D474 PolarHBondContact NE-OD1 3.48Å; R436-D474 IonicContact NE-OD2 2.64Å; R436-D474 PolarHBondContact NE-OD2 3Å; R436-D474 IonicContact NH2-OD1 2.68Å; R436-D474 PolarHBondContact NH2-OD1 3.23Å; R436-D474 IonicContact NH2-OD2 3.32Å; R436-D474 PolarHBondContact NH2-OD2 2.86Å; F441-D474 HydrophobicContact CD1-CB 4.12Å; F441-D474 HydrophobicContact CE1-CB 4.05Å; F441-D474 HydrophobicContact CE2-CB 4.48Å; F441-D474 HydrophobicContact CG-CB 4.39Å; F441-D474 HydrophobicContact CZ-CB 4.25Å; G470-D474 VanDerWaalsContact CA-OD2 3.31Å; G470-D474 WeakPolarHBondContact CA-OD2 3.47Å; T471-D474 PolarHBondContact N-OD2 2.76Å; T471-D474 PolarHBondContact O-N 2.85Å; T471-D474 PolarHBondContact OG1-N 2.91Å; T471-D474 VanDerWaalsContact OG1-N 3.08Å; T471-D474 PolarHBondContact OG1-OD1 2.9Å; T471-D474 PolarHBondContact OG1-OD2 2.89Å; D474-R477 PolarHBondContact O-N 3.35Å; D474-L478 WeakPolarHBondContact O-CB 3.4Å; D474-L478 PolarHBondContact O-N 3.03Å
475K96.7Very high92.6Very high1 Ų124 Ų240%0.00415%0.154CC..Hα-helixtrans-69.5-34.2178-63.6170171.6-159.70112.8F441 I464 N466 I469 T471 E473 L479 L532 Y536F441-K475 HydrophobicContact CE1-CG 3.88Å; F441-K475 HydrophobicContact CZ-CG 4.11Å; I464-K475 WeakPolarHBondContact O-CD 3.39Å; I464-K475 WeakPolarHBondContact O-CE 3.41Å; I464-K475 PolarHBondContact O-NZ 2.6Å; N466-K475 WeakPolarHBondContact O-CE 3.46Å; N466-K475 PolarHBondContact O-NZ 2.91Å; I469-K475 VanDerWaalsContact O-CE 3.23Å; I469-K475 WeakPolarHBondContact O-CE 3.38Å; T471-K475 WeakPolarHBondContact O-CG 3.31Å; T471-K475 PolarHBondContact O-N 3.46Å; E473-K475 VanDerWaalsContact C-N 3.26Å; E473-K475 PolarHBondContact O-N 2.86Å; K475-L479 WeakPolarHBondContact O-CB 3.47Å; K475-L479 PolarHBondContact O-N 3.35Å; K475-L532 HydrophobicContact CB-CD1 3.69Å; K475-L532 HydrophobicContact CB-CD2 4.18Å; K475-L532 HydrophobicContact CD-CD1 3.87Å; K475-L532 HydrophobicContact CG-CD1 4.44Å; K475-Y536 HydrophobicContact CD-CE2 4Å; K475-Y536 PolarHBondContact NZ-OH 2.95Å
476L96.8Very high91.1Very high2 Ų222.3 Ų22.31%0.0114%0.143CC..Hα-helixtrans-71.1-40.7174.9179.353.6000111.1P472 E473 L479 I480 L532 L539 D540 M541 P543 V544 L731P472-L476 WeakPolarHBondContact O-CB 3.38Å; P472-L476 PolarHBondContact O-N 3.36Å; E473-L476 WeakPolarHBondContact O-CB 3.41Å; E473-L476 PolarHBondContact O-N 3.01Å; L476-L479 PolarHBondContact O-N 3.09Å; L476-I480 HydrophobicContact CD1-CD1 3.89Å; L476-I480 HydrophobicContact CD1-CG1 4.27Å; L476-I480 HydrophobicContact CG-CD1 3.99Å; L476-I480 WeakPolarHBondContact O-CD1 3.19Å; L476-I480 VanDerWaalsContact O-CG1 3.25Å; L476-I480 WeakPolarHBondContact O-CG1 3.41Å; L476-I480 PolarHBondContact O-N 3.04Å; L476-L532 HydrophobicContact CB-CD2 4.08Å; L476-L539 HydrophobicContact CB-CD2 4.39Å; L476-L539 HydrophobicContact CD2-CD1 4.07Å; L476-L539 HydrophobicContact CD2-CD2 4.33Å; L476-L539 HydrophobicContact CD2-CG 4.23Å; L476-D540 WeakPolarHBondContact CD2-O 3.18Å; L476-M541 HydrophobicContact CD1-SD 3.89Å; L476-P543 HydrophobicContact CD2-CG 4.41Å; L476-V544 HydrophobicContact CD1-CG2 3.5Å; L476-V544 VanDerWaalsContact CD1-CG2 3.5Å; L476-L731 HydrophobicContact CD2-CD1 4.25Å; L476-L731 HydrophobicContact CD2-CD2 4.07Å; L476-L731 HydrophobicContact CG-CD1 4.19Å; L476-L731 HydrophobicContact CG-CD2 4.37Å
477R96.6Very high89.1Confident0 Ų023.1 Ų23.10%015%0.15CC..Hα-helixtrans-58.6-52.6172.2-71.9165.263.2171.5-3.3110.9L277 H278 H279 D289 E473 D474 L479 I480 I481 P727 L731L277-R477 HydrophobicContact CB-CG 4.43Å; L277-R477 HydrophobicContact CD2-CG 4.35Å; L277-R477 VanDerWaalsContact O-CZ 3.3Å; L277-R477 PolarHBondContact O-NE 2.81Å; L277-R477 PolarHBondContact O-NH2 2.84Å; H278-R477 PolarHBondContact O-NH2 2.92Å; H279-R477 PolarHBondContact CD2-NH2 3.43Å; H279-R477 VanDerWaalsContact NE2-CZ 3.32Å; D289-R477 VanDerWaalsContact CG-NH1 3.25Å; D289-R477 IonicContact OD1-CZ 3.31Å; D289-R477 IonicContact OD1-NH1 2.68Å; D289-R477 PolarHBondContact OD1-NH1 3.01Å; D289-R477 IonicContact OD2-CZ 3.36Å; D289-R477 VanDerWaalsContact OD2-CZ 3.28Å; D289-R477 IonicContact OD2-NH1 2.62Å; D289-R477 PolarHBondContact OD2-NH1 3.45Å; D289-R477 IonicContact OD2-NH2 2.82Å; D289-R477 PolarHBondContact OD2-NH2 3Å; E473-R477 WeakPolarHBondContact O-CG 3.21Å; E473-R477 PolarHBondContact O-N 3.38Å; D474-R477 PolarHBondContact O-N 3.35Å; R477-L479 PolarHBondContact O-N 3.38Å; R477-I480 PolarHBondContact O-N 3.47Å; R477-I480 VanDerWaalsContact O-N 3.08Å; R477-I481 WeakPolarHBondContact O-CG1 3.36Å; R477-I481 PolarHBondContact O-N 2.83Å; R477-P727 VanDerWaalsContact CZ-CB 3.49Å; R477-L731 HydrophobicContact CG-CD2 4.46Å
478L94.9Very high86.4Confident0 Ų021.6 Ų21.60%014%0.142CC..Hα-helixtrans-56.4-45.1176.7176.764.2000112.3F441 E444 E445 I448 L460 L463 I464 D474 I480 I481 A482F441-L478 HydrophobicContact CD1-CB 4.15Å; F441-L478 HydrophobicContact CD1-CD2 3.84Å; F441-L478 HydrophobicContact CE1-CD2 4.09Å; E444-L478 HydrophobicContact CB-CD1 4.29Å; E444-L478 HydrophobicContact CG-CD1 4.05Å; E445-L478 HydrophobicContact CG-CD1 3.72Å; I448-L478 HydrophobicContact CD1-CD1 4.14Å; L460-L478 HydrophobicContact CD1-CD1 3.99Å; L460-L478 HydrophobicContact CD1-CD2 3.79Å; L460-L478 HydrophobicContact CD1-CG 3.54Å; L463-L478 HydrophobicContact CB-CD2 3.85Å; L463-L478 HydrophobicContact CD1-CD2 3.95Å; I464-L478 HydrophobicContact CG1-CD2 4.27Å; D474-L478 WeakPolarHBondContact O-CB 3.4Å; D474-L478 PolarHBondContact O-N 3.03Å; L478-I480 PolarHBondContact O-N 3.39Å; L478-I481 PolarHBondContact O-N 3.2Å; L478-A482 VanDerWaalsContact O-CB 3.31Å; L478-A482 WeakPolarHBondContact O-CB 3.26Å; L478-A482 PolarHBondContact O-N 2.88Å
479L94.3Very high83.7Confident0 Ų027.1 Ų27.10%015%0.15CC..Hα-helixtrans-60.3-42175.2175.458.7000112.5I464 K475 L476 R477 A483 L528 K529 M541 V544I464-L479 HydrophobicContact CD1-CB 4.1Å; I464-L479 HydrophobicContact CD1-CD1 4.46Å; K475-L479 WeakPolarHBondContact O-CB 3.47Å; K475-L479 PolarHBondContact O-N 3.35Å; L476-L479 PolarHBondContact O-N 3.09Å; R477-L479 PolarHBondContact O-N 3.38Å; L479-A483 VanDerWaalsContact O-CB 3.32Å; L479-A483 WeakPolarHBondContact O-CB 3.4Å; L479-A483 PolarHBondContact O-N 3.44Å; L479-L528 HydrophobicContact CD1-CB 3.62Å; L479-L528 HydrophobicContact CD1-CD1 3.94Å; L479-L528 HydrophobicContact CD1-CG 4.45Å; L479-L528 HydrophobicContact CD2-CB 4.49Å; L479-K529 HydrophobicContact CD2-CB 4.36Å; L479-M541 HydrophobicContact CD2-CE 4.43Å; L479-V544 HydrophobicContact CD2-CG2 4.16Å
480I94.5Very high80.6Confident1 Ų132.8 Ų32.81%0.00518%0.184CC..Hα-helixtrans-68.6-44.7179.6-70.8163.4000111.1L277 L476 R477 L478 A482 A483 L484 P543 I547 L731L277-I480 HydrophobicContact CD1-CB 4.13Å; L277-I480 HydrophobicContact CD1-CG2 3.43Å; L277-I480 VanDerWaalsContact CD1-CG2 3.43Å; L476-I480 HydrophobicContact CD1-CD1 3.89Å; L476-I480 HydrophobicContact CD1-CG1 4.27Å; L476-I480 HydrophobicContact CG-CD1 3.99Å; L476-I480 WeakPolarHBondContact O-CD1 3.19Å; L476-I480 VanDerWaalsContact O-CG1 3.25Å; L476-I480 WeakPolarHBondContact O-CG1 3.41Å; L476-I480 PolarHBondContact O-N 3.04Å; R477-I480 PolarHBondContact O-N 3.47Å; R477-I480 VanDerWaalsContact O-N 3.08Å; L478-I480 PolarHBondContact O-N 3.39Å; I480-A482 PolarHBondContact O-N 3.14Å; I480-A483 PolarHBondContact O-N 3.02Å; I480-L484 HydrophobicContact CG2-CD1 3.82Å; I480-L484 HydrophobicContact CG2-CG 4.46Å; I480-L484 WeakPolarHBondContact O-CG 3.25Å; I480-L484 PolarHBondContact O-N 2.83Å; I480-P543 HydrophobicContact CD1-CB 3.74Å; I480-I547 HydrophobicContact CG1-CG1 4.39Å; I480-I547 HydrophobicContact CG2-CD1 3.82Å; I480-I547 HydrophobicContact CG2-CG1 3.81Å; I480-L731 HydrophobicContact CD1-CD1 3.38Å
481I92.6Very high77.5Confident0 Ų035.2 Ų35.20%021%0.209CC..Hα-helixtrans-59.9-47.3176.8-68.3164.7000110A274 L277 E445 I448 L449 R477 L478 A483 L484 A485A274-I481 HydrophobicContact CB-CG1 4.38Å; L277-I481 HydrophobicContact CB-CD1 4.07Å; L277-I481 HydrophobicContact CB-CG1 4.16Å; E445-I481 HydrophobicContact CB-CD1 4.5Å; E445-I481 VanDerWaalsContact CD-CD1 3.43Å; E445-I481 HydrophobicContact CG-CD1 3.79Å; E445-I481 HydrophobicContact CG-CG2 4.35Å; E445-I481 WeakPolarHBondContact OE2-CD1 3.43Å; I448-I481 HydrophobicContact CG2-CG2 4.1Å; L449-I481 HydrophobicContact CD2-CG2 4.17Å; L449-I481 HydrophobicContact CG-CG2 4.2Å; R477-I481 WeakPolarHBondContact O-CG1 3.36Å; R477-I481 PolarHBondContact O-N 2.83Å; L478-I481 PolarHBondContact O-N 3.2Å; I481-A483 VanDerWaalsContact C-N 3.33Å; I481-A483 PolarHBondContact O-N 2.81Å; I481-L484 PolarHBondContact O-N 2.98Å; I481-L484 VanDerWaalsContact O-N 3.14Å; I481-A485 PolarHBondContact O-N 3.2Å; I481-A485 VanDerWaalsContact O-N 3.1Å
482A90.1Very high74.3Confident0 Ų039.8 Ų39.80%024%0.238CC..Hα-helixtrans-61.6-37.4176.100000113.1I448 L460 L478 I480 L484 F518 L520I448-A482 HydrophobicContact CD1-CB 3.98Å; L460-A482 HydrophobicContact CD1-CB 4.13Å; L460-A482 HydrophobicContact CD2-CB 3.74Å; L478-A482 VanDerWaalsContact O-CB 3.31Å; L478-A482 WeakPolarHBondContact O-CB 3.26Å; L478-A482 PolarHBondContact O-N 2.88Å; I480-A482 PolarHBondContact O-N 3.14Å; A482-L484 VanDerWaalsContact C-N 3.33Å; A482-F518 HydrophobicContact CB-CE1 4.32Å; A482-L520 HydrophobicContact CB-CD1 3.6Å
483A89.7Confident71.2Confident1 Ų143.8 Ų43.81%0.00826%0.262CS..Hα-helixtrans-70.5-26.9176.200000113.3L479 I480 I481 V525 I547 R551L479-A483 VanDerWaalsContact O-CB 3.32Å; L479-A483 WeakPolarHBondContact O-CB 3.4Å; L479-A483 PolarHBondContact O-N 3.44Å; I480-A483 PolarHBondContact O-N 3.02Å; I481-A483 VanDerWaalsContact C-N 3.33Å; I481-A483 PolarHBondContact O-N 2.81Å; A483-V525 HydrophobicContact CB-CG1 4.45Å; A483-V525 HydrophobicContact CB-CG2 3.79Å; A483-I547 HydrophobicContact CB-CG2 4.06Å; A483-R551 VanDerWaalsContact O-CD 3.32Å; A483-R551 WeakPolarHBondContact O-CD 3.43Å; A483-R551 PolarHBondContact O-NE 3.28Å
484L87.6Confident68Low20 Ų2048 Ų4811%0.10529%0.291CS..Hα-helixtrans-82.5-31.2179-76167.3000113.6L273 A274 I480 I481 A482 G486 I547 F550L273-L484 HydrophobicContact CB-CD1 3.7Å; L273-L484 HydrophobicContact CB-CD2 4.14Å; L273-L484 HydrophobicContact CD1-CD2 4.33Å; A274-L484 HydrophobicContact CB-CB 4.43Å; A274-L484 HydrophobicContact CB-CD1 3.96Å; I480-L484 HydrophobicContact CG2-CD1 3.82Å; I480-L484 HydrophobicContact CG2-CG 4.46Å; I480-L484 WeakPolarHBondContact O-CG 3.25Å; I480-L484 PolarHBondContact O-N 2.83Å; I481-L484 PolarHBondContact O-N 2.98Å; I481-L484 VanDerWaalsContact O-N 3.14Å; A482-L484 VanDerWaalsContact C-N 3.33Å; L484-G486 PolarHBondContact O-N 3.06Å; L484-I547 HydrophobicContact CD1-CD1 4.06Å; L484-I547 HydrophobicContact CD2-CD1 3.96Å; L484-I547 HydrophobicContact CD2-CG2 4.16Å; L484-I547 HydrophobicContact CG-CD1 4.14Å; L484-I547 HydrophobicContact CG-CG2 4.18Å; L484-F550 HydrophobicContact CD2-CD1 4.42Å
485A76.7Confident64.9Low21 Ų2151.4 Ų51.417%0.17433%0.326CS..THydrogen-bonded Turntrans-62.3-18.8-168.900000116.1I448 I481 F518I448-A485 HydrophobicContact CG2-CB 3.35Å; I481-A485 PolarHBondContact O-N 3.2Å; I481-A485 VanDerWaalsContact O-N 3.1Å; A485-F518 HydrophobicContact CB-CD1 4.42Å
486G59.6Low61.6Low9 Ų959.4 Ų59.49%0.09337%0.369CS..THydrogen-bonded Turntrans-111.223.2-169.400000117.1L484 S488 F518 C519L484-G486 PolarHBondContact O-N 3.06Å; G486-S488 PolarHBondContact O-N 3.25Å; G486-F518 WeakPolarHBondContact CA-O 3.39Å; G486-C519 PolarHBondContact O-SG 2.98Å
487T51.1Low58.5Low65 Ų6566.1 Ų66.140%0.39941%0.41SS..  trans-77.156.5-175.659.20000115R551T487-R551 HydrophobicContact CG2-CG 4.04Å
488S32.1Very low55.3Low78 Ų7872 Ų7255%0.54545%0.451SS..  trans-112.9101.4163.5-172.30000109.6G486G486-S488 PolarHBondContact O-N 3.25Å
489R33Very low52.4Low204 Ų20477.6 Ų77.677%0.7749%0.491SS*.  trans-93.3104.1173.1-82.917464.3-177-0.6109.5G491R489-G491 PolarHBondContact O-N 3.32Å; R489-G491 VanDerWaalsContact O-N 3.11Å
490T28.6Very low49.3Very low125 Ų12583.8 Ų83.877%0.76753%0.534SS*.  trans-64.7108.7163.9440000109.3T492T490-T492 PolarHBondContact O-N 3.48Å; T490-T492 VanDerWaalsContact O-N 3.11Å
491G28.5Very low46.4Very low68 Ų6887.4 Ų87.470%0.70157%0.572SS**  trans-74.497.5177.900000111.7R489 T493R489-G491 PolarHBondContact O-N 3.32Å; R489-G491 VanDerWaalsContact O-N 3.11Å; G491-T493 PolarHBondContact O-N 3.09Å
492T28.7Very low43.4Very low139 Ų13994 Ų9485%0.85362%0.618SS**  trans-82.383.2162.635.20000110.1T490T490-T492 PolarHBondContact O-N 3.48Å; T490-T492 VanDerWaalsContact O-N 3.11Å
493T31Very low40.6Very low129 Ų12997.6 Ų97.679%0.79166%0.655SS**  trans-63.5137.2168.7-41.50000109.9G491 G495G491-T493 PolarHBondContact O-N 3.09Å; T493-G495 PolarHBondContact O-N 2.87Å
494T26.9Very low37.8Very low144 Ų144103.6 Ų103.688%0.88370%0.697SS**  trans-60.1129.717934.70000112.8
495G32.7Very low35Very low72 Ų72106.9 Ų106.974%0.74273%0.727SS**  trans-137.6104.2174.700000111.7T493T493-G495 PolarHBondContact O-N 2.87Å
496N27Very low32.4Very low169 Ų169113.2 Ų113.290%0.90476%0.757SS**  trans-71.8122.6173.1-78.7-24.3000111
497T32.1Very low30.8Very low143 Ų143119.4 Ų119.488%0.87779%0.788SS**  trans-149.3126.6142.536.60000111.5
498S29.1Very low29.6Very low123 Ų123123.6 Ų123.686%0.8681%0.808SS**  trans-84.7127.7172.2500000112
499S34.9Very low29.3Very low118 Ų118129.9 Ų129.983%0.82583%0.826SS**  trans-158129.4153.357.50000111.7
500S29.3Very low29Very low130 Ų130126.5 Ų126.591%0.90982%0.823SS**  trans-79.1148.517635.80000112.5
501G33.4Very low28.9Very low78 Ų78125 Ų12580%0.80482%0.818SS**  trans177.2105.8172.200000113
502S29Very low28.8Very low137 Ų137128.4 Ų128.496%0.95882%0.82SS**  trans-86.1134.4173.2-57.10000111
503G32.8Very low28.8Very low77 Ų77128.2 Ų128.279%0.79482%0.819SS**  trans-173.4121.4173.500000111.3
504S29.1Very low28.9Very low126 Ų126126.8 Ų126.888%0.88181%0.814SS**  trans-91.1164.8-167.5-55.40000114.7
505A28.8Very low29.2Very low89 Ų89123 Ų12374%0.73680%0.803SS**  trans99.7111.9152.300000119.8
506L23.8Very low29.5Very low155 Ų155127.1 Ų127.181%0.81281%0.807SS**  trans36.4111.7136.7-81.575.4000119.4
507N24.8Very low30.6Very low139 Ų139123 Ų12374%0.74379%0.785SS**  173.9153.293.3-94.7-25.9000113
508N26.1Very low31.7Very low153 Ų153117.8 Ų117.882%0.81875%0.75SS**  trans39.879.7160.4-775.9000118N510N508-N510 PolarHBondContact O-N 3.47Å
509F25.2Very low33.6Very low210 Ų210114.7 Ų114.792%0.92173%0.728SS**  trans-82102.2136.3-101.7-90.3000108.2S511F509-S511 PolarHBondContact O-N 3.49Å
510N26.3Very low35.6Very low132 Ų132109.2 Ų109.271%0.70669%0.689SS**  trans-63.1104.4164.6-170.347.5000106.7N508 N512N508-N510 PolarHBondContact O-N 3.47Å; N510-N512 VanDerWaalsContact C-N 3.35Å; N510-N512 PolarHBondContact O-N 2.93Å
511S27.3Very low38.1Very low94 Ų94105 Ų10566%0.65766%0.66SS**  trans-68.494.118053.50000108.8F509 T513F509-S511 PolarHBondContact O-N 3.49Å; S511-T513 VanDerWaalsContact C-N 3.34Å; S511-T513 PolarHBondContact O-N 2.94Å
512N26Very low40.6Very low140 Ų140103.7 Ų103.775%0.74963%0.634SS**  trans-56.9105.9159-77.9-0.5000106.4N510 S514N510-N512 VanDerWaalsContact C-N 3.35Å; N510-N512 PolarHBondContact O-N 2.93Å; N512-S514 PolarHBondContact O-N 3.04Å
513T29.6Very low43.3Very low134 Ų134102.2 Ų102.282%0.82262%0.62SS**  trans-68.880.2174.145.20000108.6S511 G515S511-T513 VanDerWaalsContact C-N 3.34Å; S511-T513 PolarHBondContact O-N 2.94Å; T513-G515 PolarHBondContact O-N 3.04Å
514S32.1Very low46Very low99 Ų99101.3 Ų101.369%0.69260%0.595SS**  trans-56124.8158.7500000107.6N512 I516N512-S514 PolarHBondContact O-N 3.04Å; S514-I516 PolarHBondContact O-N 3.29Å
515G34.6Very low48.9Very low64 Ų6495.3 Ų95.366%0.6655%0.553SS**  trans-51.3126.4175.600000109.8T513 D517T513-G515 PolarHBondContact O-N 3.04Å; G515-D517 PolarHBondContact O-N 3.5Å
516I39.4Very low52Low159 Ų15994.4 Ų94.482%0.81554%0.536SS*.  trans-84.1100171.1-58.9173.1000104.9S514 F518S514-I516 PolarHBondContact O-N 3.29Å; I516-F518 PolarHBondContact O-N 3.12Å
517D49.9Very low55.3Low82 Ų8291.8 Ų91.844%0.43952%0.515SS..  trans-56.3132.4176.9-59.7-45.5000109.7G515 C519G515-D517 PolarHBondContact O-N 3.5Å; D517-C519 PolarHBondContact O-N 3.46Å
518F54.7Low58.5Low34 Ų3485.2 Ų85.215%0.14948%0.48CS..  trans-61.4121-179.9172.9-94000110.4I448 S455 A482 A485 G486 I516 L520I448-F518 HydrophobicContact CG1-CE1 4.26Å; I448-F518 HydrophobicContact CG2-CE1 4.4Å; S455-F518 WeakPolarHBondContact O-CD2 3.46Å; S455-F518 WeakPolarHBondContact O-CE2 3.45Å; S455-F518 WeakPolarHBondContact OG-CD2 3.28Å; A482-F518 HydrophobicContact CB-CE1 4.32Å; A485-F518 HydrophobicContact CB-CD1 4.42Å; G486-F518 WeakPolarHBondContact CA-O 3.39Å; I516-F518 PolarHBondContact O-N 3.12Å; F518-L520 HydrophobicContact CE1-CG 4.3Å; F518-L520 HydrophobicContact CE2-CD2 4.5Å; F518-L520 HydrophobicContact CZ-CD2 4.03Å; F518-L520 HydrophobicContact CZ-CG 3.95Å
519C68.2Low61.7Low58 Ų5879.7 Ų79.739%0.39245%0.448SS..  trans-147.4114.2177.7-179.20000110.8G486 D517 S521 R551G486-C519 PolarHBondContact O-SG 2.98Å; D517-C519 PolarHBondContact O-N 3.46Å; C519-S521 PolarHBondContact O-N 2.72Å; C519-R551 PolarHBondContact SG-NH2 3.15Å
520L77.1Confident65Low3 Ų372 Ų722%0.01642%0.423CS..  trans-68.3121.9168.3-66176.5000110.1L460 A482 F518 E524 V525 L528 R551L460-L520 HydrophobicContact CD2-CD1 3.77Å; L460-L520 HydrophobicContact CD2-CD2 4.13Å; L460-L520 HydrophobicContact CD2-CG 4.45Å; A482-L520 HydrophobicContact CB-CD1 3.6Å; F518-L520 HydrophobicContact CE1-CG 4.3Å; F518-L520 HydrophobicContact CE2-CD2 4.5Å; F518-L520 HydrophobicContact CZ-CD2 4.03Å; F518-L520 HydrophobicContact CZ-CG 3.95Å; L520-E524 HydrophobicContact CB-CB 4.46Å; L520-E524 HydrophobicContact CD2-CB 4.05Å; L520-V525 HydrophobicContact CB-CG2 3.84Å; L520-V525 HydrophobicContact CD1-CG2 4.21Å; L520-L528 HydrophobicContact CD1-CD1 4.27Å; L520-R551 VanDerWaalsContact O-CZ 3.27Å; L520-R551 PolarHBondContact O-NH1 2.87Å; L520-R551 PolarHBondContact O-NH2 3.27Å
521S82.6Confident68.2Low41 Ų4167.6 Ų67.629%0.28740%0.4SS..  trans-58.9156.6166.465.40000111.7C519 T523 E524 V525C519-S521 PolarHBondContact O-N 2.72Å; S521-T523 PolarHBondContact O-N 2.91Å; S521-T523 VanDerWaalsContact O-N 3.15Å; S521-T523 PolarHBondContact OG-OG1 2.93Å; S521-E524 WeakPolarHBondContact CB-OE2 3.12Å; S521-E524 PolarHBondContact N-OE2 3.11Å; S521-E524 PolarHBondContact O-N 2.86Å; S521-E524 VanDerWaalsContact O-N 3.08Å; S521-E524 VanDerWaalsContact OG-CD 3.23Å; S521-E524 WeakPolarHBondContact OG-CG 3.47Å; S521-E524 PolarHBondContact OG-N 3.49Å; S521-E524 VanDerWaalsContact OG-N 3.15Å; S521-E524 PolarHBondContact OG-OE2 3.44Å; S521-V525 PolarHBondContact O-N 3.25Å
522D84.4Confident71.3Confident52 Ų5263.1 Ų63.128%0.27837%0.369SS..Hα-helixtrans-52.8-35.7172.7-87.116.8000111.2V525 D526 R551 R552D522-V525 PolarHBondContact O-N 2.91Å; D522-D526 PolarHBondContact O-N 3.41Å; D522-R551 IonicContact OD1-NH1 3.59Å; D522-R552 IonicContact OD2-CZ 2.84Å; D522-R552 IonicContact OD2-NE 3.94Å; D522-R552 PolarHBondContact OD2-NE 3.14Å; D522-R552 IonicContact OD2-NH2 3.53Å; D522-R552 PolarHBondContact OD2-NH2 2.99Å
523T87.4Confident74.6Confident105 Ų10559.6 Ų59.664%0.64435%0.348SS*.Hα-helixtrans-67.7-36.8177.135.60000114.5S521 R527S521-T523 PolarHBondContact O-N 2.91Å; S521-T523 VanDerWaalsContact O-N 3.15Å; S521-T523 PolarHBondContact OG-OG1 2.93Å; T523-R527 WeakPolarHBondContact O-CB 3.4Å; T523-R527 PolarHBondContact O-N 3.46Å
524E88.6Confident77.6Confident58 Ų5859.5 Ų59.527%0.27134%0.342SS..Hα-helixtrans-74.3-37.2175.8-70.4153.5139.700110.8L520 S521 R527 L528L520-E524 HydrophobicContact CB-CB 4.46Å; L520-E524 HydrophobicContact CD2-CB 4.05Å; S521-E524 WeakPolarHBondContact CB-OE2 3.12Å; S521-E524 PolarHBondContact N-OE2 3.11Å; S521-E524 PolarHBondContact O-N 2.86Å; S521-E524 VanDerWaalsContact O-N 3.08Å; S521-E524 VanDerWaalsContact OG-CD 3.23Å; S521-E524 WeakPolarHBondContact OG-CG 3.47Å; S521-E524 PolarHBondContact OG-N 3.49Å; S521-E524 VanDerWaalsContact OG-N 3.15Å; S521-E524 PolarHBondContact OG-OE2 3.44Å; E524-R527 WeakPolarHBondContact O-CB 3.22Å; E524-R527 PolarHBondContact O-N 3Å; E524-L528 WeakPolarHBondContact O-CG 3.48Å; E524-L528 PolarHBondContact O-N 3.25Å
525V90.8Very high80.6Confident0 Ų057.6 Ų57.60%033%0.329CS..Hα-helixtrans-59.8-46.9171176.60000110.5A483 L520 S521 D522 R527 L528 K529 V544 Q548A483-V525 HydrophobicContact CB-CG1 4.45Å; A483-V525 HydrophobicContact CB-CG2 3.79Å; L520-V525 HydrophobicContact CB-CG2 3.84Å; L520-V525 HydrophobicContact CD1-CG2 4.21Å; S521-V525 PolarHBondContact O-N 3.25Å; D522-V525 PolarHBondContact O-N 2.91Å; V525-R527 VanDerWaalsContact C-N 3.33Å; V525-R527 PolarHBondContact O-N 3.19Å; V525-L528 PolarHBondContact O-N 3.17Å; V525-K529 WeakPolarHBondContact O-CB 3.43Å; V525-K529 PolarHBondContact O-N 3.22Å; V525-V544 HydrophobicContact CG1-CG1 3.7Å; V525-Q548 HydrophobicContact CG1-CG 4.1Å
526D92.7Very high83.4Confident71 Ų7157.1 Ų57.138%0.3831%0.307SS..Hα-helixtrans-62.8-36.5175.8-78.7-32.6000112.6D522 A530 Q548D522-D526 PolarHBondContact O-N 3.41Å; D526-A530 VanDerWaalsContact O-CB 3.31Å; D526-A530 WeakPolarHBondContact O-CB 3.29Å; D526-A530 PolarHBondContact O-N 3.33Å; D526-Q548 PolarHBondContact OD1-NE2 3.49Å
527R93.1Very high85.9Confident100 Ų10054.1 Ų54.138%0.37730%0.299SS..Hα-helixtrans-62-50.1175-171.9-175.576.371.4-2.1111.8E457 T461 T523 E524 V525 A530 L531E457-R527 IonicContact OE1-CZ 2.7Å; E457-R527 VanDerWaalsContact OE1-CZ 3.26Å; E457-R527 IonicContact OE1-NE 2.72Å; E457-R527 PolarHBondContact OE1-NE 2.77Å; E457-R527 IonicContact OE1-NH2 3.59Å; E457-R527 PolarHBondContact OE1-NH2 3.37Å; T461-R527 PolarHBondContact OG1-NH2 3.12Å; T523-R527 WeakPolarHBondContact O-CB 3.4Å; T523-R527 PolarHBondContact O-N 3.46Å; E524-R527 WeakPolarHBondContact O-CB 3.22Å; E524-R527 PolarHBondContact O-N 3Å; V525-R527 VanDerWaalsContact C-N 3.33Å; V525-R527 PolarHBondContact O-N 3.19Å; R527-A530 PolarHBondContact O-N 2.84Å; R527-L531 PolarHBondContact O-N 3.2Å
528L92Very high87.9Confident0 Ų058.2 Ų58.20%032%0.32CS..Hα-helixtrans-70.4-37.5-179.4-68.2172.5000111.9L460 T461 I464 L479 L520 E524 V525 L531 L532L460-L528 HydrophobicContact CD2-CD1 3.55Å; L460-L528 HydrophobicContact CG-CD1 3.99Å; T461-L528 HydrophobicContact CG2-CD2 4.42Å; I464-L528 HydrophobicContact CD1-CB 4.43Å; I464-L528 HydrophobicContact CD1-CD1 4.29Å; I464-L528 HydrophobicContact CD1-CD2 4.25Å; L479-L528 HydrophobicContact CD1-CB 3.62Å; L479-L528 HydrophobicContact CD1-CD1 3.94Å; L479-L528 HydrophobicContact CD1-CG 4.45Å; L479-L528 HydrophobicContact CD2-CB 4.49Å; L520-L528 HydrophobicContact CD1-CD1 4.27Å; E524-L528 WeakPolarHBondContact O-CG 3.48Å; E524-L528 PolarHBondContact O-N 3.25Å; V525-L528 PolarHBondContact O-N 3.17Å; L528-L531 WeakPolarHBondContact O-CB 3.4Å; L528-L531 PolarHBondContact O-N 3.3Å; L528-L532 PolarHBondContact O-N 3.48Å
529K94.1Very high89.8Confident37 Ų3758.1 Ų58.116%0.16132%0.321CS..Hα-helixtrans-57.9-48.3171.5-178.5-169.5-172.7175.70111.3L479 V525 L531 L532 Q533 M541 V544 N545L479-K529 HydrophobicContact CD2-CB 4.36Å; V525-K529 WeakPolarHBondContact O-CB 3.43Å; V525-K529 PolarHBondContact O-N 3.22Å; K529-L531 PolarHBondContact O-N 2.95Å; K529-L532 PolarHBondContact O-N 2.9Å; K529-Q533 VanDerWaalsContact O-CB 3.27Å; K529-Q533 WeakPolarHBondContact O-CB 3.49Å; K529-Q533 PolarHBondContact O-N 3.44Å; K529-M541 HydrophobicContact CB-CE 4.18Å; K529-M541 HydrophobicContact CG-CE 3.8Å; K529-M541 WeakPolarHBondContact O-CE 3.39Å; K529-V544 HydrophobicContact CB-CG1 4.45Å; K529-V544 HydrophobicContact CD-CB 4.33Å; K529-V544 HydrophobicContact CD-CG1 3.92Å; K529-V544 HydrophobicContact CG-CB 4.45Å; K529-V544 HydrophobicContact CG-CG1 4.2Å; K529-N545 WeakPolarHBondContact CE-OD1 3.31Å; K529-N545 PolarHBondContact NZ-OD1 3.43Å
530A94.3Very high91Very high48 Ų4857.9 Ų57.940%0.39732%0.316SS..Hα-helixtrans-63.5-39.7176.500000112.2D526 R527 N534D526-A530 VanDerWaalsContact O-CB 3.31Å; D526-A530 WeakPolarHBondContact O-CB 3.29Å; D526-A530 PolarHBondContact O-N 3.33Å; R527-A530 PolarHBondContact O-N 2.84Å; A530-N534 WeakPolarHBondContact O-CB 3.45Å; A530-N534 PolarHBondContact O-N 3.46Å; A530-N534 PolarHBondContact O-ND2 3.43Å; A530-N534 VanDerWaalsContact O-ND2 3.09Å
531L93.4Very high91.8Very high41 Ų4158.1 Ų58.122%0.21532%0.317CS..Hα-helixtrans-59.8-53.2175.7-164.5162.4000111T461 I464 S465 R527 L528 K529 Q533 N534 S535T461-L531 HydrophobicContact CG2-CD1 4.21Å; I464-L531 HydrophobicContact CG2-CD2 4.3Å; S465-L531 WeakPolarHBondContact OG-CD1 3.1Å; S465-L531 WeakPolarHBondContact OG-CD2 3.34Å; R527-L531 PolarHBondContact O-N 3.2Å; L528-L531 WeakPolarHBondContact O-CB 3.4Å; L528-L531 PolarHBondContact O-N 3.3Å; K529-L531 PolarHBondContact O-N 2.95Å; L531-Q533 PolarHBondContact O-N 3.06Å; L531-N534 PolarHBondContact O-N 2.85Å; L531-S535 PolarHBondContact O-N 2.83Å; L531-S535 VanDerWaalsContact O-N 3.09Å; L531-S535 PolarHBondContact O-OG 3.42Å
532L92.9Very high92.5Very high0 Ų057 Ų570%031%0.309CS..Hα-helixtrans-65.4-37.7-178.4-173.866.9000112.1I464 K475 L476 L528 K529 S535 Y536 L539 M541I464-L532 HydrophobicContact CG2-CB 4.1Å; I464-L532 HydrophobicContact CG2-CD1 4.12Å; K475-L532 HydrophobicContact CB-CD1 3.69Å; K475-L532 HydrophobicContact CB-CD2 4.18Å; K475-L532 HydrophobicContact CD-CD1 3.87Å; K475-L532 HydrophobicContact CG-CD1 4.44Å; L476-L532 HydrophobicContact CB-CD2 4.08Å; L528-L532 PolarHBondContact O-N 3.48Å; K529-L532 PolarHBondContact O-N 2.9Å; L532-S535 PolarHBondContact O-N 3.19Å; L532-Y536 HydrophobicContact CD1-CD2 3.55Å; L532-Y536 HydrophobicContact CD1-CE2 3.67Å; L532-Y536 HydrophobicContact CG-CD2 4.33Å; L532-Y536 PolarHBondContact O-N 3Å; L532-L539 HydrophobicContact CD1-CD2 4.37Å; L532-L539 HydrophobicContact CD2-CD2 3.67Å; L532-L539 HydrophobicContact CG-CD2 3.74Å; L532-M541 HydrophobicContact CB-CE 3.73Å; L532-M541 HydrophobicContact CD2-CE 3.84Å; L532-M541 HydrophobicContact CD2-SD 4.15Å; L532-M541 HydrophobicContact CG-CE 4.01Å
533Q94.1Very high93Very high66 Ų6654.6 Ų54.631%0.30830%0.297SS..Hα-helixtrans-63.9-38.1174.6-174.671.481.500112.5K529 L531 Y536 P537 M541K529-Q533 VanDerWaalsContact O-CB 3.27Å; K529-Q533 WeakPolarHBondContact O-CB 3.49Å; K529-Q533 PolarHBondContact O-N 3.44Å; L531-Q533 PolarHBondContact O-N 3.06Å; Q533-Y536 PolarHBondContact NE2-O 3.44Å; Q533-Y536 CarbonylContact O-C 3.6Å; Q533-Y536 VanDerWaalsContact O-C 3.26Å; Q533-Y536 PolarHBondContact O-N 3.48Å; Q533-P537 PolarHBondContact NE2-O 3.37Å; Q533-P537 WeakPolarHBondContact O-CA 3.43Å; Q533-M541 HydrophobicContact CB-CE 4.44Å; Q533-M541 HydrophobicContact CB-CG 4.38Å
534N93.8Very high93.4Very high131 Ų13149.7 Ų49.770%0.70127%0.267SS*.Hα-helixtrans-68.3-37176.3-72.5-27.1000111.9A530 L531A530-N534 WeakPolarHBondContact O-CB 3.45Å; A530-N534 PolarHBondContact O-N 3.46Å; A530-N534 PolarHBondContact O-ND2 3.43Å; A530-N534 VanDerWaalsContact O-ND2 3.09Å; L531-N534 PolarHBondContact O-N 2.85Å
535S93.7Very high93.6Very high60 Ų6049.8 Ų49.842%0.4227%0.269SS..Hα-helixtrans-71.3-34.8174.8-63.70000112.9L531 L532L531-S535 PolarHBondContact O-N 2.83Å; L531-S535 VanDerWaalsContact O-N 3.09Å; L531-S535 PolarHBondContact O-OG 3.42Å; L532-S535 PolarHBondContact O-N 3.19Å
536Y94.2Very high93.7Very high53 Ų5350.4 Ų50.421%0.20827%0.271CS..  trans-133.281.7-176.9-52.1-74.5000111.3P472 K475 L532 Q533 N538 L539P472-Y536 HydrophobicContact CB-CD1 4.22Å; P472-Y536 HydrophobicContact CB-CD2 4.05Å; P472-Y536 HydrophobicContact CB-CE2 4.38Å; P472-Y536 HydrophobicContact CB-CG 3.96Å; P472-Y536 HydrophobicContact CG-CD1 3.65Å; P472-Y536 HydrophobicContact CG-CD2 4.29Å; P472-Y536 HydrophobicContact CG-CE1 3.75Å; P472-Y536 HydrophobicContact CG-CE2 4.39Å; P472-Y536 HydrophobicContact CG-CG 3.92Å; K475-Y536 HydrophobicContact CD-CE2 4Å; K475-Y536 PolarHBondContact NZ-OH 2.95Å; L532-Y536 HydrophobicContact CD1-CD2 3.55Å; L532-Y536 HydrophobicContact CD1-CE2 3.67Å; L532-Y536 HydrophobicContact CG-CD2 4.33Å; L532-Y536 PolarHBondContact O-N 3Å; Q533-Y536 PolarHBondContact NE2-O 3.44Å; Q533-Y536 CarbonylContact O-C 3.6Å; Q533-Y536 VanDerWaalsContact O-C 3.26Å; Q533-Y536 PolarHBondContact O-N 3.48Å; Y536-N538 PolarHBondContact O-N 3.42Å; Y536-L539 VanDerWaalsContact O-CB 3.31Å; Y536-L539 WeakPolarHBondContact O-CB 3.43Å; Y536-L539 PolarHBondContact O-N 3.37Å
537P91.6Very high93.7Very high97 Ų9747.1 Ų47.163%0.6325%0.254SS*.THydrogen-bonded Turntrans-59.3-23.3-174.6-28.336.6000115.6Q533Q533-P537 PolarHBondContact NE2-O 3.37Å; Q533-P537 WeakPolarHBondContact O-CA 3.43Å
538N92.8Very high93.6Very high167 Ų16742.8 Ų42.889%0.89324%0.238SC*.THydrogen-bonded Turntrans-93.8-0.6179.6-61.4-24.9000113.5Y536Y536-N538 PolarHBondContact O-N 3.42Å
539L93.3Very high93.4Very high33 Ų3346.4 Ų46.417%0.17326%0.255CS..SBendtrans-72.5133.1177.6-17763.1000110P472 L476 L532 Y536 M541P472-L539 HydrophobicContact CB-CD1 3.97Å; P472-L539 HydrophobicContact CB-CD2 4.09Å; L476-L539 HydrophobicContact CB-CD2 4.39Å; L476-L539 HydrophobicContact CD2-CD1 4.07Å; L476-L539 HydrophobicContact CD2-CD2 4.33Å; L476-L539 HydrophobicContact CD2-CG 4.23Å; L532-L539 HydrophobicContact CD1-CD2 4.37Å; L532-L539 HydrophobicContact CD2-CD2 3.67Å; L532-L539 HydrophobicContact CG-CD2 3.74Å; Y536-L539 VanDerWaalsContact O-CB 3.31Å; Y536-L539 WeakPolarHBondContact O-CB 3.43Å; Y536-L539 PolarHBondContact O-N 3.37Å; L539-M541 HydrophobicContact CD2-SD 3.8Å; L539-M541 HydrophobicContact CG-SD 4.1Å; L539-M541 PolarHBondContact O-N 3.22Å
540D94.2Very high93.1Very high52 Ų5245.7 Ų45.728%0.27825%0.251SS..  trans-78.4103.6177.1-176.112000110.8L476 S542 P543 K739L476-D540 WeakPolarHBondContact CD2-O 3.18Å; D540-S542 VanDerWaalsContact C-N 3.3Å; D540-S542 WeakPolarHBondContact OD1-CB 3.33Å; D540-S542 PolarHBondContact OD1-N 3.45Å; D540-S542 VanDerWaalsContact OD1-N 3.1Å; D540-S542 PolarHBondContact OD1-OG 3.49Å; D540-P543 WeakPolarHBondContact O-CD 3.3Å; D540-K739 WeakPolarHBondContact OD1-CE 3.35Å; D540-K739 IonicContact OD1-NZ 3.22Å; D540-K739 WeakPolarHBondContact OD2-CE 3.36Å; D540-K739 IonicContact OD2-NZ 3.68Å; D540-K739 PolarHBondContact OD2-NZ 2.94Å
541M94.7Very high92.6Very high9 Ų945.1 Ų45.14%0.04424%0.239CC..  trans-88.95.8179.4-62.8-63.1-102.600113.6L476 L479 K529 L532 Q533 L539 P543 V544 N545L476-M541 HydrophobicContact CD1-SD 3.89Å; L479-M541 HydrophobicContact CD2-CE 4.43Å; K529-M541 HydrophobicContact CB-CE 4.18Å; K529-M541 HydrophobicContact CG-CE 3.8Å; K529-M541 WeakPolarHBondContact O-CE 3.39Å; L532-M541 HydrophobicContact CB-CE 3.73Å; L532-M541 HydrophobicContact CD2-CE 3.84Å; L532-M541 HydrophobicContact CD2-SD 4.15Å; L532-M541 HydrophobicContact CG-CE 4.01Å; Q533-M541 HydrophobicContact CB-CE 4.44Å; Q533-M541 HydrophobicContact CB-CG 4.38Å; L539-M541 HydrophobicContact CD2-SD 3.8Å; L539-M541 HydrophobicContact CG-SD 4.1Å; L539-M541 PolarHBondContact O-N 3.22Å; M541-P543 VanDerWaalsContact C-N 3.34Å; M541-V544 WeakPolarHBondContact O-CB 3.43Å; M541-V544 PolarHBondContact O-N 2.93Å; M541-V544 HydrophobicContact SD-CG2 4.44Å; M541-N545 PolarHBondContact O-N 3.27Å
542S95.6Very high92.1Very high16 Ų1649.6 Ų49.611%0.11225%0.253CS..Hα-helixtrans-56.2-36.2174.9-490000114.2D540 V544 N545 Y546 G735 G738 K739D540-S542 VanDerWaalsContact C-N 3.3Å; D540-S542 WeakPolarHBondContact OD1-CB 3.33Å; D540-S542 PolarHBondContact OD1-N 3.45Å; D540-S542 VanDerWaalsContact OD1-N 3.1Å; D540-S542 PolarHBondContact OD1-OG 3.49Å; S542-V544 PolarHBondContact O-N 2.94Å; S542-N545 VanDerWaalsContact O-CB 3.3Å; S542-N545 WeakPolarHBondContact O-CB 3.45Å; S542-N545 PolarHBondContact O-N 3.04Å; S542-Y546 PolarHBondContact O-N 3.44Å; S542-Y546 VanDerWaalsContact O-N 3.15Å; S542-G735 VanDerWaalsContact CB-O 3.31Å; S542-G735 WeakPolarHBondContact CB-O 3.48Å; S542-G738 WeakPolarHBondContact O-CA 3.33Å; S542-K739 VanDerWaalsContact OG-CE 3.27Å; S542-K739 WeakPolarHBondContact OG-CE 3.49Å; S542-K739 VanDerWaalsContact OG-CG 3.29Å; S542-K739 WeakPolarHBondContact OG-CG 3.47Å
543P96.3Very high91.3Very high3 Ų353.4 Ų53.42%0.01927%0.273CS..Hα-helixtrans-53.7-38.9172.3-26.335.2000113L476 I480 D540 M541 N545 Y546 I547 L731 L734L476-P543 HydrophobicContact CD2-CG 4.41Å; I480-P543 HydrophobicContact CD1-CB 3.74Å; D540-P543 WeakPolarHBondContact O-CD 3.3Å; M541-P543 VanDerWaalsContact C-N 3.34Å; P543-N545 PolarHBondContact O-N 3.09Å; P543-Y546 PolarHBondContact O-N 2.98Å; P543-I547 VanDerWaalsContact O-CG1 3.28Å; P543-I547 WeakPolarHBondContact O-CG1 3.42Å; P543-I547 PolarHBondContact O-N 3.48Å; P543-L731 HydrophobicContact CB-CD1 3.72Å; P543-L731 HydrophobicContact CG-CD1 3.79Å; P543-L731 HydrophobicContact CG-CG 4.23Å; P543-L734 HydrophobicContact CB-CB 3.92Å
544V94.9Very high89.7Confident2 Ų255.8 Ų55.81%0.01229%0.294CS..Hα-helixtrans-66.5-37.6177.8-168.70000111.2L476 L479 V525 K529 M541 S542 Y546 I547 Q548L476-V544 HydrophobicContact CD1-CG2 3.5Å; L476-V544 VanDerWaalsContact CD1-CG2 3.5Å; L479-V544 HydrophobicContact CD2-CG2 4.16Å; V525-V544 HydrophobicContact CG1-CG1 3.7Å; K529-V544 HydrophobicContact CB-CG1 4.45Å; K529-V544 HydrophobicContact CD-CB 4.33Å; K529-V544 HydrophobicContact CD-CG1 3.92Å; K529-V544 HydrophobicContact CG-CB 4.45Å; K529-V544 HydrophobicContact CG-CG1 4.2Å; M541-V544 WeakPolarHBondContact O-CB 3.43Å; M541-V544 PolarHBondContact O-N 2.93Å; M541-V544 HydrophobicContact SD-CG2 4.44Å; S542-V544 PolarHBondContact O-N 2.94Å; V544-Y546 VanDerWaalsContact C-N 3.33Å; V544-Y546 PolarHBondContact O-N 3.05Å; V544-I547 PolarHBondContact O-N 2.93Å; V544-Q548 HydrophobicContact CG1-CG 4.38Å; V544-Q548 WeakPolarHBondContact O-CB 3.42Å; V544-Q548 WeakPolarHBondContact O-CG 3.49Å; V544-Q548 PolarHBondContact O-N 2.93Å
545N93.4Very high87.8Confident60 Ų6053.4 Ų53.432%0.32128%0.277SS..Hα-helixtrans-59-45.7174.5-60.4-18.6000111K529 M541 S542 P543 Q548 H549K529-N545 WeakPolarHBondContact CE-OD1 3.31Å; K529-N545 PolarHBondContact NZ-OD1 3.43Å; M541-N545 PolarHBondContact O-N 3.27Å; S542-N545 VanDerWaalsContact O-CB 3.3Å; S542-N545 WeakPolarHBondContact O-CB 3.45Å; S542-N545 PolarHBondContact O-N 3.04Å; P543-N545 PolarHBondContact O-N 3.09Å; N545-Q548 PolarHBondContact O-N 3Å; N545-H549 PolarHBondContact O-N 3.45Å
546Y93.6Very high85.1Confident13 Ų1355.5 Ų55.55%0.05130%0.298CS..Hα-helixtrans-62.9-43.9178.2-177.5-102.2000111.8F146 L273 S542 P543 V544 Q548 H549 F550 L734 L737 L741F146-Y546 HydrophobicContact CE1-CE1 4.12Å; F146-Y546 HydrophobicContact CZ-CE1 4.26Å; L273-Y546 HydrophobicContact CD1-CE1 4.48Å; S542-Y546 PolarHBondContact O-N 3.44Å; S542-Y546 VanDerWaalsContact O-N 3.15Å; P543-Y546 PolarHBondContact O-N 2.98Å; V544-Y546 VanDerWaalsContact C-N 3.33Å; V544-Y546 PolarHBondContact O-N 3.05Å; Y546-Q548 PolarHBondContact O-N 2.66Å; Y546-H549 PolarHBondContact O-N 2.82Å; Y546-F550 VanDerWaalsContact O-CB 3.3Å; Y546-F550 WeakPolarHBondContact O-CB 3.37Å; Y546-F550 PolarHBondContact O-N 3.08Å; Y546-L734 HydrophobicContact CD1-CD2 3.53Å; Y546-L734 HydrophobicContact CE1-CD2 3.67Å; Y546-L737 HydrophobicContact CD1-CD1 4.44Å; Y546-L737 HydrophobicContact CD2-CB 3.39Å; Y546-L737 HydrophobicContact CD2-CD1 4.17Å; Y546-L737 HydrophobicContact CD2-CG 4.38Å; Y546-L737 HydrophobicContact CE1-CD1 3.95Å; Y546-L737 HydrophobicContact CE2-CB 3.65Å; Y546-L737 HydrophobicContact CE2-CD1 3.67Å; Y546-L737 HydrophobicContact CE2-CG 4.19Å; Y546-L737 HydrophobicContact CG-CB 3.9Å; Y546-L741 HydrophobicContact CD2-CD1 3.92Å
547I92.1Very high82.2Confident1 Ų155.8 Ų55.81%0.00532%0.317CS..Hα-helixtrans-63.9-42.3177.5-62.5-72.1000111.2L273 I480 A483 L484 P543 V544 H549 F550 R551 L734L273-I547 HydrophobicContact CD1-CD1 4.07Å; I480-I547 HydrophobicContact CG1-CG1 4.39Å; I480-I547 HydrophobicContact CG2-CD1 3.82Å; I480-I547 HydrophobicContact CG2-CG1 3.81Å; A483-I547 HydrophobicContact CB-CG2 4.06Å; L484-I547 HydrophobicContact CD1-CD1 4.06Å; L484-I547 HydrophobicContact CD2-CD1 3.96Å; L484-I547 HydrophobicContact CD2-CG2 4.16Å; L484-I547 HydrophobicContact CG-CD1 4.14Å; L484-I547 HydrophobicContact CG-CG2 4.18Å; P543-I547 VanDerWaalsContact O-CG1 3.28Å; P543-I547 WeakPolarHBondContact O-CG1 3.42Å; P543-I547 PolarHBondContact O-N 3.48Å; V544-I547 PolarHBondContact O-N 2.93Å; I547-H549 VanDerWaalsContact C-N 3.34Å; I547-H549 PolarHBondContact O-N 3.19Å; I547-F550 PolarHBondContact O-N 3.32Å; I547-R551 VanDerWaalsContact O-CG 3.28Å; I547-R551 WeakPolarHBondContact O-CG 3.49Å; I547-R551 PolarHBondContact O-N 3.04Å; I547-L734 HydrophobicContact CD1-CD1 4.5Å
548Q90.6Very high79.5Confident9 Ų954.6 Ų54.64%0.04230%0.303CS..Hα-helixtrans-62.1-38.7174.1-72.3176.4-57.100112.3V525 D526 V544 N545 Y546 R552V525-Q548 HydrophobicContact CG1-CG 4.1Å; D526-Q548 PolarHBondContact OD1-NE2 3.49Å; V544-Q548 HydrophobicContact CG1-CG 4.38Å; V544-Q548 WeakPolarHBondContact O-CB 3.42Å; V544-Q548 WeakPolarHBondContact O-CG 3.49Å; V544-Q548 PolarHBondContact O-N 2.93Å; N545-Q548 PolarHBondContact O-N 3Å; Y546-Q548 PolarHBondContact O-N 2.66Å; Q548-R552 WeakPolarHBondContact O-CD 3.11Å; Q548-R552 WeakPolarHBondContact O-CG 3.39Å
549H88.9Confident76.5Confident77 Ų7753.3 Ų53.336%0.35630%0.296SS..Hα-helixtrans-66.2-47.9172.9-18092.2000111.6N545 Y546 I547 R551 R552 I553 L741N545-H549 PolarHBondContact O-N 3.45Å; Y546-H549 PolarHBondContact O-N 2.82Å; I547-H549 VanDerWaalsContact C-N 3.34Å; I547-H549 PolarHBondContact O-N 3.19Å; H549-R551 VanDerWaalsContact C-N 3.31Å; H549-R551 PolarHBondContact O-N 3.38Å; H549-R552 WeakPolarHBondContact O-CA 3.31Å; H549-R552 WeakPolarHBondContact O-CB 3.27Å; H549-R552 PolarHBondContact O-N 3.46Å; H549-I553 PolarHBondContact O-N 3.41Å; H549-L741 HydrophobicContact CB-CD1 3.49Å; H549-L741 VanDerWaalsContact CB-CD1 3.49Å
550F87.1Confident73.5Confident22 Ų2255.2 Ų55.210%0.09631%0.308CS..Hα-helixtrans-57.3-40.3179.1-177.4-100.2000112.5S270 L273 L484 Y546 I547 R552 I553S270-F550 VanDerWaalsContact O-CZ 3.31Å; S270-F550 WeakPolarHBondContact O-CZ 3.4Å; L273-F550 HydrophobicContact CD1-CD1 3.71Å; L273-F550 HydrophobicContact CD1-CD2 4.2Å; L273-F550 HydrophobicContact CD1-CE1 3.69Å; L273-F550 HydrophobicContact CD1-CE2 4.18Å; L273-F550 HydrophobicContact CD1-CG 3.97Å; L273-F550 HydrophobicContact CD1-CZ 3.95Å; L273-F550 HydrophobicContact CG-CE1 4.38Å; L273-F550 HydrophobicContact CG-CZ 4.49Å; L484-F550 HydrophobicContact CD2-CD1 4.42Å; Y546-F550 VanDerWaalsContact O-CB 3.3Å; Y546-F550 WeakPolarHBondContact O-CB 3.37Å; Y546-F550 PolarHBondContact O-N 3.08Å; I547-F550 PolarHBondContact O-N 3.32Å; F550-R552 PolarHBondContact O-N 2.75Å; F550-I553 PolarHBondContact O-N 2.8Å
551R83.9Confident70.5Confident35 Ų3555.3 Ų55.313%0.13231%0.309CS..THydrogen-bonded Turntrans-63.9-21.5173.7-70.317976.3-173.38.8114.2A483 T487 C519 L520 D522 I547 H549A483-R551 VanDerWaalsContact O-CD 3.32Å; A483-R551 WeakPolarHBondContact O-CD 3.43Å; A483-R551 PolarHBondContact O-NE 3.28Å; T487-R551 HydrophobicContact CG2-CG 4.04Å; C519-R551 PolarHBondContact SG-NH2 3.15Å; L520-R551 VanDerWaalsContact O-CZ 3.27Å; L520-R551 PolarHBondContact O-NH1 2.87Å; L520-R551 PolarHBondContact O-NH2 3.27Å; D522-R551 IonicContact OD1-NH1 3.59Å; I547-R551 VanDerWaalsContact O-CG 3.28Å; I547-R551 WeakPolarHBondContact O-CG 3.49Å; I547-R551 PolarHBondContact O-N 3.04Å; H549-R551 VanDerWaalsContact C-N 3.31Å; H549-R551 PolarHBondContact O-N 3.38Å
552R83.1Confident67.2Low135 Ų13562.6 Ų62.651%0.50935%0.348SS..THydrogen-bonded Turntrans-88.7-24.1178.9-67.2166.5-174.4161.75.1112.7D522 Q548 H549 F550 P554D522-R552 IonicContact OD2-CZ 2.84Å; D522-R552 IonicContact OD2-NE 3.94Å; D522-R552 PolarHBondContact OD2-NE 3.14Å; D522-R552 IonicContact OD2-NH2 3.53Å; D522-R552 PolarHBondContact OD2-NH2 2.99Å; Q548-R552 WeakPolarHBondContact O-CD 3.11Å; Q548-R552 WeakPolarHBondContact O-CG 3.39Å; H549-R552 WeakPolarHBondContact O-CA 3.31Å; H549-R552 WeakPolarHBondContact O-CB 3.27Å; H549-R552 PolarHBondContact O-N 3.46Å; F550-R552 PolarHBondContact O-N 2.75Å; R552-P554 WeakPolarHBondContact O-CD 3.31Å
553I76.4Confident64Low81 Ų8169.6 Ų69.642%0.41538%0.383SS..SBendtrans-62.6124.9172.8-58.8175.8000108.4H549 F550 K555H549-I553 PolarHBondContact O-N 3.41Å; F550-I553 PolarHBondContact O-N 2.8Å; I553-K555 PolarHBondContact O-N 2.8Å
554P59.5Low60.8Low115 Ų11577.9 Ų77.975%0.74742%0.423SS*.  trans-65.3103.7174.7-19.332.4000110.3R552 A556R552-P554 WeakPolarHBondContact O-CD 3.31Å; P554-A556 PolarHBondContact O-N 3.48Å
555K54.8Low57.4Low82 Ų8286 Ų8636%0.35746%0.461SS..  trans-62.6106.4170-79.1-170.6166.3-166.70109.3I553 G557I553-K555 PolarHBondContact O-N 2.8Å; K555-G557 PolarHBondContact O-N 2.81Å; K555-G557 VanDerWaalsContact O-N 3.14Å
556A36.6Very low54.2Low104 Ų10489.8 Ų89.886%0.8648%0.481SS*.SBendtrans-73.1100169.300000109.1P554P554-A556 PolarHBondContact O-N 3.48Å
557G32.9Very low51Low59 Ų5996.1 Ų96.161%0.60852%0.515SS*.SBendtrans86.575.4173.800000115K555K555-G557 PolarHBondContact O-N 2.81Å; K555-G557 VanDerWaalsContact O-N 3.14Å
558Q36.1Very low47.7Very low72 Ų72106.3 Ų106.334%0.33656%0.559SS.*  trans-149.790.4152.6-116.6178.8-9.600109.1
559L28Very low44.8Very low140 Ų140109.6 Ų109.673%0.73360%0.595SS**  trans-98116159.3-84.2160.2000106.2
560T32.1Very low41.7Very low72 Ų72111.2 Ų111.244%0.44262%0.622SS.*  trans-148.3112.4160.554.90000107.6
561D30Very low38.8Very low54 Ų54114 Ų11429%0.28966%0.656SS.*  trans177.5100.1144.3-84.3-18.7000106.9K451K451-D561 WeakPolarHBondContact CD-OD2 3.47Å; K451-D561 WeakPolarHBondContact CE-OD2 3.26Å; K451-D561 IonicContact NZ-OD1 2.74Å; K451-D561 PolarHBondContact NZ-OD1 3.39Å; K451-D561 IonicContact NZ-OD2 2.87Å; K451-D561 PolarHBondContact NZ-OD2 2.66Å
562N26Very low36Very low162 Ų162118.2 Ų118.287%0.86669%0.691SS**  trans-179.848.7156.2-97.2-50.5000112.6
563I27.1Very low33.2Very low164 Ų164123.6 Ų123.684%0.84171%0.711SS**  trans-146.1107.6155.9-71.8100.2000108
564M30.1Very low30.9Very low176 Ų176125.6 Ų125.687%0.86773%0.733SS**  trans176.384.6131.7-174.9150170.100110.5
565E24.2Very low29.3Very low172 Ų172126.1 Ų126.180%0.80473%0.733SS**  trans-116.6146.5163.5-163.5-179.4-159.900109
566N25.4Very low28Very low141 Ų141130.7 Ų130.775%0.75476%0.761SS**  trans86.772179.5-53.6-62.1000118.6
567I26.7Very low27.3Very low146 Ų146132.2 Ų132.275%0.74976%0.755SS**  -132.4100.4128.8-57.2-176.4000109.1
568K23.3Very low27.1Very low215 Ų215138.5 Ų138.594%0.93577%0.765SS**  trans-109.4112.9163.6-83.8178.7177.3166.60108.7
569G28.3Very low27.1Very low78 Ų78142.5 Ų142.580%0.80479%0.788SS**  trans-145123.6171.900000109.2
570A23.4Very low27.4Very low111 Ų111141.4 Ų141.492%0.91779%0.786SS**  trans-117.8148.2-170.800000112.5
571G26.8Very low27.6Very low79 Ų79143 Ų14381%0.81480%0.8SS**  trans125.6146.1175.400000112
572S26.2Very low27.9Very low124 Ų124149.2 Ų149.287%0.86783%0.827SS**  cis-153.7152.2-9.9-174.10000108.8
573R24.1Very low28Very low248 Ų248145.5 Ų145.594%0.93683%0.827SS**  trans-72.6143.1179-65.4173.7176.4156.8-2.4111.1
574S27Very low28.6Very low123 Ų123142 Ų14286%0.8682%0.817SS**  trans-146.2154.1148.8-160.30000111.8
575V25.9Very low28.9Very low126 Ų126136.1 Ų136.176%0.76480%0.797SS**  trans-91.7149.4-169.2-1120000111.6
576L27.1Very low29.7Very low178 Ų178135.7 Ų135.793%0.93280%0.798SS**  trans-156.7149.9132.2-109164.6000111.5
577N22.9Very low30.5Very low137 Ų137132 Ų13273%0.73378%0.778SS**  trans-127.6159.5-168.7-124.7-27.2000108.7
578K29.3Very low31.3Very low190 Ų190127.4 Ų127.483%0.82676%0.755SS**  trans77.8139.7174.9-61.1173.4179.8179.10114.9
579I36.1Very low32.2Very low157 Ų157121.7 Ų121.781%0.80574%0.738SS**  cis-140.9154.914.2-116.7142.6000111.6
580V33Very low32.8Very low117 Ų117120 Ų12071%0.70972%0.72SS**  trans-99.9141.6176.1168.30000110.7
581S36.7Very low33.7Very low104 Ų104115.5 Ų115.573%0.72768%0.681SS**  trans-143.6127.1146.262.80000111.9
582H35.6Very low34.5Very low185 Ų185118.1 Ų118.186%0.85667%0.666SS**SBendtrans48.6109.6168.1-63.8-75.8000120.9
583G29.8Very low35.3Very low85 Ų85120.2 Ų120.288%0.87666%0.662SS**SBendtrans127.9-63.9140.100000116.3
584S38.8Very low36.1Very low90 Ų90111 Ų11163%0.62963%0.631SS**SBendtrans-140.5-2.6-15941.20000115.8I586S584-I586 VanDerWaalsContact C-N 3.29Å; S584-I586 PolarHBondContact O-N 3.38Å; S584-I586 VanDerWaalsContact O-N 3.13Å
585A37.3Very low36.9Very low53 Ų53109.8 Ų109.844%0.43861%0.613SS.*Hα-helixtrans-69-11.7-168.700000116.9L587 T589A585-L587 PolarHBondContact O-N 3.17Å; A585-T589 PolarHBondContact O-OG1 3.21Å
586I39.9Very low37.8Very low162 Ų162106 Ų10683%0.83160%0.6SS**Hα-helixtrans-72.2-25.8-174.2-71.9175.1000112.9S584S584-I586 VanDerWaalsContact C-N 3.29Å; S584-I586 PolarHBondContact O-N 3.38Å; S584-I586 VanDerWaalsContact O-N 3.13Å
587L42.3Very low38.8Very low64 Ų64105.3 Ų105.334%0.33559%0.592SS.*Hα-helixtrans-84.4-39.7-179.1-79.8152000113.7K434 A585 T589 G590K434-L587 HydrophobicContact CB-CD1 3.61Å; K434-L587 HydrophobicContact CD-CD1 3.69Å; K434-L587 HydrophobicContact CG-CD1 3.51Å; A585-L587 PolarHBondContact O-N 3.17Å; L587-T589 PolarHBondContact O-N 2.92Å; L587-G590 PolarHBondContact O-N 3.11Å
588L44.1Very low40.4Very low49 Ų49104.4 Ų104.426%0.25758%0.581SS.*Hα-helixtrans-66.7-21.8-173-62175.4000113.5F349 A353 M591F349-L588 HydrophobicContact CD1-CD2 3.93Å; F349-L588 HydrophobicContact CE1-CD2 4.05Å; A353-L588 HydrophobicContact CB-CD1 4.03Å; L588-M591 HydrophobicContact CD2-SD 4.11Å
589T42.2Very low42.4Very low96 Ų9696.8 Ų96.859%0.58955%0.552SS**Hα-helixtrans-75.8-26.8-179.2-41.80000112.5A585 L587A585-T589 PolarHBondContact O-OG1 3.21Å; L587-T589 PolarHBondContact O-N 2.92Å
590G40Very low44.8Very low41 Ų4192.9 Ų92.942%0.42353%0.528SS..Hα-helixtrans-72.1-39.917400000112.3L587 R592 H593L587-G590 PolarHBondContact O-N 3.11Å; G590-R592 VanDerWaalsContact C-N 3.33Å; G590-R592 PolarHBondContact O-N 3.27Å; G590-H593 PolarHBondContact O-N 2.96Å
591M43.1Very low47.4Very low18 Ų1887.9 Ų87.99%0.08950%0.497CS..Hα-helixtrans-64.1-31.8-174-62.1173.172.400113.6L281 F349 L588 H593 L594L281-M591 HydrophobicContact CD1-CE 4.1Å; L281-M591 HydrophobicContact CD2-CE 4.36Å; F349-M591 HydrophobicContact CB-CE 4.4Å; L588-M591 HydrophobicContact CD2-SD 4.11Å; M591-H593 PolarHBondContact O-N 2.88Å; M591-H593 VanDerWaalsContact O-N 3.12Å; M591-L594 PolarHBondContact O-N 2.98Å; M591-L594 VanDerWaalsContact O-N 3.09Å
592R43.4Very low49.9Very low134 Ų13485 Ų8551%0.50648%0.476SS..THydrogen-bonded Turntrans-63.3-16.5178.3-71.7-167.4-171.9156-8.4114.8E354 G590E354-R592 IonicContact OE1-CZ 3.61Å; E354-R592 IonicContact OE1-NE 3.57Å; E354-R592 PolarHBondContact OE1-NE 3.44Å; E354-R592 IonicContact OE1-NH2 2.76Å; E354-R592 PolarHBondContact OE1-NH2 2.62Å; E354-R592 IonicContact OE2-CZ 3.95Å; E354-R592 IonicContact OE2-NH2 3.77Å; E354-R592 PolarHBondContact OE2-NH2 3.31Å; G590-R592 VanDerWaalsContact C-N 3.33Å; G590-R592 PolarHBondContact O-N 3.27Å
593H43Very low52.7Low167 Ų16776.2 Ų76.277%0.77344%0.435SS*.THydrogen-bonded Turntrans-106.8-4175.8-68.391.3000113.5G590 M591G590-H593 PolarHBondContact O-N 2.96Å; M591-H593 PolarHBondContact O-N 2.88Å; M591-H593 VanDerWaalsContact O-N 3.12Å
594L40.4Very low55.7Low56 Ų5672.2 Ų72.229%0.29339%0.393SS..  trans-92.81.4177.9-69.7175.9000113.2E443 M591 G596E443-L594 VanDerWaalsContact CD-CD2 3.43Å; E443-L594 HydrophobicContact CG-CD2 4.21Å; E443-L594 WeakPolarHBondContact OE2-CD2 3.09Å; M591-L594 PolarHBondContact O-N 2.98Å; M591-L594 VanDerWaalsContact O-N 3.09Å; L594-G596 PolarHBondContact O-N 3.39Å
595I45.1Very low58Low96 Ų9671.7 Ų71.749%0.49238%0.378SS..  trans-7287.7164.5-57.5172000106.8A348 K598A348-I595 HydrophobicContact CB-CD1 4.35Å; I595-K598 HydrophobicContact CG2-CG 4.45Å
596G43.4Very low60.6Low46 Ų4669.6 Ų69.647%0.47436%0.359SS..  trans-56.1167.7171.300000111.4L594 K598L594-G596 PolarHBondContact O-N 3.39Å; G596-K598 PolarHBondContact O-N 3.05Å
597Q48.8Very low63.1Low164 Ų16461.9 Ų61.977%0.76632%0.32SS*.SBendtrans-58.6102.9171.8-73.2-170.4-27.200108.7S599Q597-S599 PolarHBondContact O-N 3.21Å
598K55.8Low65.3Low118 Ų11859.7 Ų59.751%0.51331%0.31SS..  trans-49.4105.5-169.1-78-168.6167.8-173.70110.7I595 G596 D665I595-K598 HydrophobicContact CG2-CG 4.45Å; G596-K598 PolarHBondContact O-N 3.05Å; K598-D665 IonicContact NZ-OD2 3.25Å; K598-D665 PolarHBondContact NZ-OD2 2.86Å
599S72.1Confident67.3Low30 Ų3060.5 Ų60.521%0.2131%0.312CS..PPolyproline II helixtrans-75.2128.3174.7-168.30000108Q597 L601 R605 N662Q597-S599 PolarHBondContact O-N 3.21Å; S599-L601 PolarHBondContact O-N 3.48Å; S599-R605 PolarHBondContact OG-NH2 3.3Å; S599-R605 VanDerWaalsContact OG-NH2 3.1Å; S599-N662 PolarHBondContact O-ND2 3.25Å
600Y85.6Confident69.5Low76 Ų7656.2 Ų56.230%0.29829%0.286SS..PPolyproline II helixtrans-69.2131.5172.5-63.8-54000109T604 R605 W666 S669Y600-T604 HydrophobicContact CD1-CG2 3.58Å; Y600-T604 HydrophobicContact CE1-CG2 4.43Å; Y600-T604 HydrophobicContact CG-CG2 3.92Å; Y600-R605 PolarHBondContact O-NE 3.15Å; Y600-R605 PolarHBondContact O-NH2 3.03Å; Y600-R605 VanDerWaalsContact O-NH2 3.11Å; Y600-W666 HydrophobicContact CD1-CB 4Å; Y600-W666 HydrophobicContact CD1-CG 4.49Å; Y600-W666 HydrophobicContact CE1-CB 3.63Å; Y600-W666 AromaticContact CE1-CD1 3.79Å; Y600-W666 HydrophobicContact CE1-CG 4.14Å; Y600-W666 AromaticContact CE2-CD1 3.92Å; Y600-W666 AromaticContact CZ-CD1 3.65Å; Y600-S669 PolarHBondContact OH-OG 3.12Å
601L89.1Confident71.8Confident12 Ų1254.3 Ų54.36%0.06327%0.266CS..PPolyproline II helixtrans-69.2161.3176.9-64.9173.3000110.4L449 S599 F603 T604 R605 V658 N662L449-L601 HydrophobicContact CD1-CD2 4.18Å; S599-L601 PolarHBondContact O-N 3.48Å; L601-F603 VanDerWaalsContact C-N 3.26Å; L601-F603 PolarHBondContact O-N 3.17Å; L601-F603 VanDerWaalsContact O-N 3.13Å; L601-T604 PolarHBondContact O-N 2.94Å; L601-R605 PolarHBondContact O-N 3.18Å; L601-V658 HydrophobicContact CD1-CG1 3.77Å; L601-N662 HydrophobicContact CD1-CB 3.82Å; L601-N662 HydrophobicContact CG-CB 4.25Å; L601-N662 PolarHBondContact N-OD1 2.92Å
602P89.1Confident73.7Confident43 Ų4356.3 Ų56.328%0.27928%0.275SS..Hα-helixtrans-48.2-44.1-175.8-31.536.7000114.2D272 R605 I606D272-P602 HydrophobicContact CB-CB 4.12Å; D272-P602 HydrophobicContact CB-CG 4.19Å; D272-P602 WeakPolarHBondContact OD2-CD 3.29Å; D272-P602 WeakPolarHBondContact OD2-CG 3.47Å; P602-R605 PolarHBondContact O-N 3.35Å; P602-I606 WeakPolarHBondContact O-CD1 3.33Å; P602-I606 VanDerWaalsContact O-CG1 3.27Å; P602-I606 WeakPolarHBondContact O-CG1 3.47Å; P602-I606 PolarHBondContact O-N 2.85Å
603F92.8Very high75.2Confident1 Ų150.9 Ų50.90%0.00426%0.256CS..Hα-helixtrans-64.5-45.4178.3-69.80000112.3L267 R269 L271 D272 L601 R605 I606 V607 V651 E659L267-F603 HydrophobicContact CB-CE1 4.47Å; L267-F603 HydrophobicContact CB-CZ 4.4Å; L267-F603 HydrophobicContact CD1-CB 4.05Å; L267-F603 HydrophobicContact CD1-CD1 3.76Å; L267-F603 HydrophobicContact CD1-CD2 4.05Å; L267-F603 HydrophobicContact CD1-CE1 4.19Å; L267-F603 HydrophobicContact CD1-CE2 4.44Å; L267-F603 HydrophobicContact CD1-CG 3.69Å; L267-F603 HydrophobicContact CD1-CZ 4.5Å; R269-F603 VanDerWaalsContact NH2-CE2 3.3Å; L271-F603 HydrophobicContact CB-CE1 3.92Å; L271-F603 HydrophobicContact CD1-CE1 4.47Å; D272-F603 HydrophobicContact CB-CD1 4.3Å; D272-F603 HydrophobicContact CB-CE1 3.8Å; D272-F603 HydrophobicContact CB-CZ 4.24Å; L601-F603 VanDerWaalsContact C-N 3.26Å; L601-F603 PolarHBondContact O-N 3.17Å; L601-F603 VanDerWaalsContact O-N 3.13Å; F603-R605 VanDerWaalsContact C-N 3.31Å; F603-R605 PolarHBondContact O-N 3.12Å; F603-I606 HydrophobicContact CD1-CD1 4.34Å; F603-I606 PolarHBondContact O-N 2.99Å; F603-V607 WeakPolarHBondContact O-CB 3.33Å; F603-V607 WeakPolarHBondContact O-CG2 3.16Å; F603-V607 PolarHBondContact O-N 3.44Å; F603-V651 HydrophobicContact CD2-CG2 3.88Å; F603-V651 HydrophobicContact CE2-CB 4.28Å; F603-V651 HydrophobicContact CE2-CG1 3.71Å; F603-V651 HydrophobicContact CE2-CG2 3.5Å; F603-V651 VanDerWaalsContact CE2-CG2 3.5Å; F603-V651 HydrophobicContact CZ-CG1 4.08Å; F603-V651 HydrophobicContact CZ-CG2 4.47Å; F603-E659 HydrophobicContact CD2-CG 4.04Å; F603-E659 VanDerWaalsContact CD2-OE2 3.26Å; F603-E659 WeakPolarHBondContact CD2-OE2 3.45Å; F603-E659 WeakPolarHBondContact CE2-OE2 3.31Å
604T93Very high76.4Confident0 Ų049.2 Ų49.20%025%0.246CC..Hα-helixtrans-61.7-38.1176-51.60000112.1Y600 L601 S608 N662 L663 W666Y600-T604 HydrophobicContact CD1-CG2 3.58Å; Y600-T604 HydrophobicContact CE1-CG2 4.43Å; Y600-T604 HydrophobicContact CG-CG2 3.92Å; L601-T604 PolarHBondContact O-N 2.94Å; T604-S608 VanDerWaalsContact O-CB 3.25Å; T604-S608 WeakPolarHBondContact O-CB 3.35Å; T604-S608 PolarHBondContact O-N 3.38Å; T604-S608 PolarHBondContact O-OG 3.37Å; T604-N662 WeakPolarHBondContact CB-OD1 3.4Å; T604-N662 PolarHBondContact OG1-OD1 3.09Å; T604-L663 HydrophobicContact CG2-CD2 4.19Å; T604-W666 HydrophobicContact CG2-CB 3.48Å; T604-W666 VanDerWaalsContact CG2-CB 3.48Å; T604-W666 HydrophobicContact CG2-CG 3.81Å
605R88.6Confident77.1Confident79 Ų7951.2 Ų51.230%0.29827%0.265SS..Hα-helixtrans-60.5-51172.5-63.3-178.5-162.3177.110111S599 Y600 L601 P602 F603 V607 S608 Q609S599-R605 PolarHBondContact OG-NH2 3.3Å; S599-R605 VanDerWaalsContact OG-NH2 3.1Å; Y600-R605 PolarHBondContact O-NE 3.15Å; Y600-R605 PolarHBondContact O-NH2 3.03Å; Y600-R605 VanDerWaalsContact O-NH2 3.11Å; L601-R605 PolarHBondContact O-N 3.18Å; P602-R605 PolarHBondContact O-N 3.35Å; F603-R605 VanDerWaalsContact C-N 3.31Å; F603-R605 PolarHBondContact O-N 3.12Å; R605-V607 PolarHBondContact O-N 3.06Å; R605-S608 PolarHBondContact O-N 2.82Å; R605-S608 PolarHBondContact O-OG 2.92Å; R605-Q609 WeakPolarHBondContact O-CG 3.2Å; R605-Q609 PolarHBondContact O-N 3.47Å
606I90Very high77.7Confident10 Ų1048.3 Ų48.35%0.05126%0.259CS..Hα-helixtrans-57-51.5177.8-66.1158.9000111L267 P602 F603 S608 Q609 L610 F619 Y622L267-I606 HydrophobicContact CD2-CG2 4.1Å; P602-I606 WeakPolarHBondContact O-CD1 3.33Å; P602-I606 VanDerWaalsContact O-CG1 3.27Å; P602-I606 WeakPolarHBondContact O-CG1 3.47Å; P602-I606 PolarHBondContact O-N 2.85Å; F603-I606 HydrophobicContact CD1-CD1 4.34Å; F603-I606 PolarHBondContact O-N 2.99Å; I606-S608 PolarHBondContact O-N 3.19Å; I606-Q609 PolarHBondContact O-N 3.4Å; I606-L610 HydrophobicContact CG2-CD1 3.73Å; I606-L610 HydrophobicContact CG2-CG 4.37Å; I606-L610 WeakPolarHBondContact O-CG 3.41Å; I606-L610 PolarHBondContact O-N 2.93Å; I606-F619 HydrophobicContact CG1-CE1 4.11Å; I606-F619 HydrophobicContact CG1-CZ 4.49Å; I606-F619 HydrophobicContact CG2-CE1 4.38Å; I606-Y622 WeakPolarHBondContact CD1-OH 3.46Å; I606-Y622 HydrophobicContact CG2-CE1 3.87Å
607V92.5Very high78.2Confident0 Ų051 Ų510%027%0.271CS..Hα-helixtrans-60.8-44.6-178.5172.90000111I265 F603 R605 Q609 L610 M611 V649 L663 I717I265-V607 HydrophobicContact CD1-CB 4.16Å; I265-V607 HydrophobicContact CD1-CG1 4.03Å; I265-V607 HydrophobicContact CD1-CG2 3.87Å; F603-V607 WeakPolarHBondContact O-CB 3.33Å; F603-V607 WeakPolarHBondContact O-CG2 3.16Å; F603-V607 PolarHBondContact O-N 3.44Å; R605-V607 PolarHBondContact O-N 3.06Å; V607-Q609 VanDerWaalsContact C-N 3.3Å; V607-Q609 PolarHBondContact O-N 2.89Å; V607-L610 PolarHBondContact O-N 3.32Å; V607-M611 HydrophobicContact CG1-CG 4.19Å; V607-M611 HydrophobicContact CG1-SD 3.83Å; V607-M611 WeakPolarHBondContact O-CB 3.44Å; V607-M611 WeakPolarHBondContact O-CG 3.37Å; V607-M611 PolarHBondContact O-N 3.41Å; V607-V649 HydrophobicContact CB-CG2 4.44Å; V607-V649 HydrophobicContact CG1-CG2 3.95Å; V607-V649 HydrophobicContact CG2-CB 4.36Å; V607-V649 HydrophobicContact CG2-CG1 3.81Å; V607-V649 HydrophobicContact CG2-CG2 3.55Å; V607-L663 HydrophobicContact CB-CD2 3.98Å; V607-L663 HydrophobicContact CG1-CD2 4.1Å; V607-L663 HydrophobicContact CG2-CD2 3.96Å; V607-I717 HydrophobicContact CG1-CD1 3.77Å
608S89.1Confident78.5Confident18 Ų1846.6 Ų46.613%0.12625%0.25CC..Hα-helixtrans-58.9-40.6-179.373.30000113.1T604 R605 I606 E612T604-S608 VanDerWaalsContact O-CB 3.25Å; T604-S608 WeakPolarHBondContact O-CB 3.35Å; T604-S608 PolarHBondContact O-N 3.38Å; T604-S608 PolarHBondContact O-OG 3.37Å; R605-S608 PolarHBondContact O-N 2.82Å; R605-S608 PolarHBondContact O-OG 2.92Å; I606-S608 PolarHBondContact O-N 3.19Å; S608-E612 WeakPolarHBondContact O-CB 3.47Å; S608-E612 WeakPolarHBondContact O-CG 3.18Å; S608-E612 PolarHBondContact O-N 3.3Å
609Q86.3Confident78.6Confident65 Ų6542.3 Ų42.330%0.30423%0.231SC..Hα-helixtrans-76.6-39.6-179.3-64.5-177.514.400112.3R605 I606 V607 E612 N613 K614 F619R605-Q609 WeakPolarHBondContact O-CG 3.2Å; R605-Q609 PolarHBondContact O-N 3.47Å; I606-Q609 PolarHBondContact O-N 3.4Å; V607-Q609 VanDerWaalsContact C-N 3.3Å; V607-Q609 PolarHBondContact O-N 2.89Å; Q609-E612 PolarHBondContact O-N 3.09Å; Q609-N613 PolarHBondContact O-N 3.12Å; Q609-N613 VanDerWaalsContact O-N 3.13Å; Q609-K614 PolarHBondContact O-N 3.07Å; Q609-F619 VanDerWaalsContact OE1-CD2 3.28Å
610L88.5Confident77.9Confident7 Ų748.1 Ų48.14%0.03726%0.255CS..Hα-helixtrans-66.8-42.1177.2-71.7177.6000112.1R184 L263 I265 I606 V607 E612 N613 Y622R184-L610 HydrophobicContact CB-CD1 4.37Å; L263-L610 HydrophobicContact CD2-CB 4.33Å; I265-L610 HydrophobicContact CD1-CB 4.03Å; I265-L610 HydrophobicContact CD1-CD1 4Å; I265-L610 HydrophobicContact CG1-CD1 4.21Å; I265-L610 HydrophobicContact CG2-CD1 3.82Å; I606-L610 HydrophobicContact CG2-CD1 3.73Å; I606-L610 HydrophobicContact CG2-CG 4.37Å; I606-L610 WeakPolarHBondContact O-CG 3.41Å; I606-L610 PolarHBondContact O-N 2.93Å; V607-L610 PolarHBondContact O-N 3.32Å; L610-E612 VanDerWaalsContact C-N 3.32Å; L610-E612 PolarHBondContact O-N 3.13Å; L610-N613 PolarHBondContact O-N 3.22Å; L610-Y622 HydrophobicContact CD1-CD1 3.84Å; L610-Y622 HydrophobicContact CD1-CE1 4.04Å; L610-Y622 HydrophobicContact CD2-CD1 4.49Å; L610-Y622 HydrophobicContact CD2-CG 4.45Å
611M88.5Confident77.3Confident0 Ų047.9 Ų47.90%026%0.259CS..Hα-helixtrans-63.4-37.9174.7-71.9-175.178.600111.8L263 V607 N613 P643 F644 A647 W666 K715 I717L263-M611 HydrophobicContact CD2-CG 4.09Å; V607-M611 HydrophobicContact CG1-CG 4.19Å; V607-M611 HydrophobicContact CG1-SD 3.83Å; V607-M611 WeakPolarHBondContact O-CB 3.44Å; V607-M611 WeakPolarHBondContact O-CG 3.37Å; V607-M611 PolarHBondContact O-N 3.41Å; M611-N613 VanDerWaalsContact C-N 3.25Å; M611-N613 PolarHBondContact O-N 2.71Å; M611-P643 CarbonylContact O-C 3.57Å; M611-P643 VanDerWaalsContact O-CA 3.27Å; M611-P643 WeakPolarHBondContact O-CA 3.48Å; M611-P643 WeakPolarHBondContact O-CB 3.46Å; M611-F644 VanDerWaalsContact CE-O 3.31Å; M611-F644 WeakPolarHBondContact CE-O 3.34Å; M611-F644 PolarHBondContact O-N 2.93Å; M611-A647 HydrophobicContact CE-CB 3.8Å; M611-A647 HydrophobicContact CG-CB 3.87Å; M611-A647 HydrophobicContact SD-CB 3.59Å; M611-A647 VanDerWaalsContact SD-CB 3.59Å; M611-W666 HydrophobicContact CB-CH2 4.3Å; M611-W666 HydrophobicContact SD-CH2 3.74Å; M611-W666 HydrophobicContact SD-CZ3 3.64Å; M611-K715 HydrophobicContact CE-CB 4.14Å; M611-K715 HydrophobicContact CE-CD 4.28Å; M611-K715 HydrophobicContact CE-CG 4.38Å; M611-I717 HydrophobicContact SD-CD1 4.21Å; M611-I717 HydrophobicContact SD-CG1 4.13Å
612E82.7Confident77.2Confident61 Ų6148.4 Ų48.429%0.28526%0.26SS..THydrogen-bonded Turntrans-81.6-1.4179.2-68.6176.6-177.100113.8S608 Q609 L610 K614 K715S608-E612 WeakPolarHBondContact O-CB 3.47Å; S608-E612 WeakPolarHBondContact O-CG 3.18Å; S608-E612 PolarHBondContact O-N 3.3Å; Q609-E612 PolarHBondContact O-N 3.09Å; L610-E612 VanDerWaalsContact C-N 3.32Å; L610-E612 PolarHBondContact O-N 3.13Å; E612-K614 HydrophobicContact CB-CD 4.19Å; E612-K614 HydrophobicContact CB-CG 4.06Å; E612-K614 PolarHBondContact O-N 2.83Å; E612-K614 VanDerWaalsContact O-N 3.07Å; E612-K614 WeakPolarHBondContact OE2-CE 3.3Å; E612-K614 IonicContact OE2-NZ 3.79Å; E612-K614 PolarHBondContact OE2-NZ 3.45Å; E612-K715 IonicContact OE1-NZ 3.59Å; E612-K715 PolarHBondContact OE1-NZ 2.91Å
613N76Confident77.3Confident19 Ų1950 Ų5010%0.10226%0.261CS..THydrogen-bonded Turntrans47.732.6-174.7-85.4-50.1000113.6Q609 L610 M611 S615 K641 Q642 F644Q609-N613 PolarHBondContact O-N 3.12Å; Q609-N613 VanDerWaalsContact O-N 3.13Å; L610-N613 PolarHBondContact O-N 3.22Å; M611-N613 VanDerWaalsContact C-N 3.25Å; M611-N613 PolarHBondContact O-N 2.71Å; N613-S615 PolarHBondContact O-N 2.91Å; N613-K641 HydrophobicContact CB-CB 3.92Å; N613-K641 HydrophobicContact CB-CD 4.45Å; N613-K641 WeakPolarHBondContact O-CD 3.45Å; N613-Q642 PolarHBondContact ND2-O 3.21Å; N613-F644 VanDerWaalsContact ND2-CE2 3.26Å; N613-F644 WeakPolarHBondContact ND2-CE2 3.47Å
614K67.7Low77.1Confident132 Ų13252.2 Ų52.257%0.57427%0.269SS*.  trans-61.2134.8-179.2-83.4171167.1163.40110.5Q609 E612 G616Q609-K614 PolarHBondContact O-N 3.07Å; E612-K614 HydrophobicContact CB-CD 4.19Å; E612-K614 HydrophobicContact CB-CG 4.06Å; E612-K614 PolarHBondContact O-N 2.83Å; E612-K614 VanDerWaalsContact O-N 3.07Å; E612-K614 WeakPolarHBondContact OE2-CE 3.3Å; E612-K614 IonicContact OE2-NZ 3.79Å; E612-K614 PolarHBondContact OE2-NZ 3.45Å; K614-G616 PolarHBondContact O-N 3.36Å
615S55.7Low77.1Confident99 Ų9952.5 Ų52.569%0.69227%0.271SS*.  trans-85.295.7179.6-47.80000109.7N613 K641N613-S615 PolarHBondContact O-N 2.91Å; S615-K641 PolarHBondContact OG-NZ 3.11Å
616G57.6Low77.1Confident35 Ų3549.4 Ų49.436%0.36126%0.26SS..  trans-124.8143169.400000110.3K614 E618 F619K614-G616 PolarHBondContact O-N 3.36Å; G616-E618 PolarHBondContact O-N 3.45Å; G616-F619 PolarHBondContact O-N 3.41Å
617S53.9Low77.2Confident103 Ų10349.2 Ų49.272%0.7226%0.259SS*.G310 helixtrans-60.9-25.6-179.146.60000113.5F619S617-F619 VanDerWaalsContact C-N 3.26Å; S617-F619 PolarHBondContact O-N 3.12Å
618E54.9Low77Confident71 Ų7153.5 Ų53.533%0.33228%0.278SS..G310 helixtrans-69.2-19.1-179.8-63.4173.2167.800113.4G616G616-E618 PolarHBondContact O-N 3.45Å
619F56.7Low76.7Confident27 Ų2756.5 Ų56.512%0.11829%0.292CS..G310 helixtrans-119.67.5-172.6-64.3-87.8000114.5I606 Q609 G616 S617 D621 Y622I606-F619 HydrophobicContact CG1-CE1 4.11Å; I606-F619 HydrophobicContact CG1-CZ 4.49Å; I606-F619 HydrophobicContact CG2-CE1 4.38Å; Q609-F619 VanDerWaalsContact OE1-CD2 3.28Å; G616-F619 PolarHBondContact O-N 3.41Å; S617-F619 VanDerWaalsContact C-N 3.26Å; S617-F619 PolarHBondContact O-N 3.12Å; F619-D621 PolarHBondContact O-N 3.47Å; F619-Y622 AromaticContact CD1-CD2 3.51Å; F619-Y622 HydrophobicContact CD1-CD2 3.51Å; F619-Y622 AromaticContact CD1-CE2 3.46Å; F619-Y622 HydrophobicContact CD1-CE2 3.46Å; F619-Y622 VanDerWaalsContact CD1-CE2 3.46Å; F619-Y622 HydrophobicContact CD1-CG 4.33Å; F619-Y622 HydrophobicContact CE1-CD2 4.16Å; F619-Y622 AromaticContact CE1-CE2 3.6Å; F619-Y622 HydrophobicContact CE1-CE2 3.6Å; F619-Y622 HydrophobicContact CG-CD2 4.43Å; F619-Y622 PolarHBondContact O-N 3.3Å
620E58.5Low75.7Confident152 Ų15263 Ų6371%0.7132%0.315SS*.THydrogen-bonded Turntrans-64.9-19.2159.4-67.6-164.8146.600111.7R187 Y622R187-E620 PolarHBondContact NH2-O 3.15Å; E620-Y622 VanDerWaalsContact C-N 3.35Å
621D73.5Confident74.3Confident72 Ų7272 Ų7239%0.38535%0.349SS..THydrogen-bonded Turntrans-73.1-21.9174.3-76.1-24.5000113.9R187 F619 R623R187-D621 WeakPolarHBondContact CD-O 3.28Å; R187-D621 VanDerWaalsContact CG-O 3.27Å; R187-D621 WeakPolarHBondContact CG-O 3.49Å; R187-D621 IonicContact CZ-OD1 2.76Å; R187-D621 VanDerWaalsContact CZ-OD1 3.22Å; R187-D621 PolarHBondContact NE-O 2.98Å; R187-D621 VanDerWaalsContact NE-O 3.08Å; R187-D621 IonicContact NH1-OD1 2.89Å; R187-D621 PolarHBondContact NH1-OD1 2.7Å; R187-D621 IonicContact NH2-OD1 2.9Å; F619-D621 PolarHBondContact O-N 3.47Å; D621-R623 PolarHBondContact O-N 2.75Å
622Y86.9Confident72.7Confident22 Ų2278.1 Ų78.19%0.08637%0.372CS..SBendtrans-72.1115.2175.9-85.7-112.4000110.8R184 C185 P186 L267 I606 L610 F619 E620R184-Y622 PolarHBondContact NE-O 3.32Å; R184-Y622 PolarHBondContact NH2-O 3.01Å; C185-Y622 VanDerWaalsContact C-CD1 3.44Å; C185-Y622 CarbonylContact O-C 3.49Å; C185-Y622 WeakPolarHBondContact O-CA 3.5Å; C185-Y622 WeakPolarHBondContact O-CD1 3.25Å; P186-Y622 HydrophobicContact CG-CE1 3.93Å; L267-Y622 HydrophobicContact CD2-CE1 4.07Å; I606-Y622 WeakPolarHBondContact CD1-OH 3.46Å; I606-Y622 HydrophobicContact CG2-CE1 3.87Å; L610-Y622 HydrophobicContact CD1-CD1 3.84Å; L610-Y622 HydrophobicContact CD1-CE1 4.04Å; L610-Y622 HydrophobicContact CD2-CD1 4.49Å; L610-Y622 HydrophobicContact CD2-CG 4.45Å; F619-Y622 AromaticContact CD1-CD2 3.51Å; F619-Y622 HydrophobicContact CD1-CD2 3.51Å; F619-Y622 AromaticContact CD1-CE2 3.46Å; F619-Y622 HydrophobicContact CD1-CE2 3.46Å; F619-Y622 VanDerWaalsContact CD1-CE2 3.46Å; F619-Y622 HydrophobicContact CD1-CG 4.33Å; F619-Y622 HydrophobicContact CE1-CD2 4.16Å; F619-Y622 AromaticContact CE1-CE2 3.6Å; F619-Y622 HydrophobicContact CE1-CE2 3.6Å; F619-Y622 HydrophobicContact CG-CD2 4.43Å; F619-Y622 PolarHBondContact O-N 3.3Å; E620-Y622 VanDerWaalsContact C-N 3.35Å
623R89.5Confident71.3Confident78 Ų7881 Ų8129%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-56.6152.8177.6-64.4-155.164.4176.1-0.3111.1R184 C185 R187 E192 D621 F625R184-R623 WeakPolarHBondContact CA-O 3.38Å; R184-R623 VanDerWaalsContact CD-O 3.29Å; R184-R623 WeakPolarHBondContact CD-O 3.47Å; R184-R623 PolarHBondContact NE-O 3.31Å; C185-R623 PolarHBondContact O-N 3.34Å; R187-R623 HydrophobicContact CG-CG 3.76Å; E192-R623 WeakPolarHBondContact OE1-CD 3.33Å; E192-R623 IonicContact OE1-CZ 3.28Å; E192-R623 IonicContact OE1-NE 3.96Å; E192-R623 IonicContact OE1-NH1 2.84Å; E192-R623 PolarHBondContact OE1-NH1 2.88Å; D621-R623 PolarHBondContact O-N 2.75Å; R623-F625 HydrophobicContact CB-CD2 4.39Å; R623-F625 HydrophobicContact CB-CE2 3.62Å; R623-F625 HydrophobicContact CB-CZ 4.11Å
624Y90.2Very high69.9Low46 Ų4687.5 Ų87.518%0.1842%0.42CS..EExtended strand (participates in β ladder)trans-124.7124.4177.3179.1-79000108.7I182 D626 N636 P638I182-Y624 HydrophobicContact CG2-CD2 4.09Å; I182-Y624 HydrophobicContact CG2-CE2 3.43Å; I182-Y624 VanDerWaalsContact CG2-CE2 3.43Å; Y624-D626 HydrophobicContact CE1-CB 3.71Å; Y624-N636 WeakPolarHBondContact CD1-O 3.48Å; Y624-N636 WeakPolarHBondContact CE1-O 3.32Å; Y624-P638 HydrophobicContact CE2-CG 4.36Å; Y624-P638 WeakPolarHBondContact OH-CG 3.41Å
625F91.1Very high69.1Low6 Ų687.3 Ų87.33%0.02643%0.43CS..EExtended strand (participates in β ladder)trans-124.3132.9171.1-50.8-99.6000109.9I183 A195 C196 D199 R623I183-F625 HydrophobicContact CB-CB 4.15Å; I183-F625 HydrophobicContact CB-CD2 4.35Å; I183-F625 PolarHBondContact N-O 3.35Å; I183-F625 PolarHBondContact O-N 3.09Å; A195-F625 HydrophobicContact CB-CD2 4.07Å; A195-F625 HydrophobicContact CB-CE2 3.67Å; A195-F625 HydrophobicContact CB-CZ 4.27Å; C196-F625 VanDerWaalsContact SG-CZ 3.53Å; D199-F625 HydrophobicContact CB-CB 4.04Å; D199-F625 HydrophobicContact CB-CD1 3.97Å; D199-F625 HydrophobicContact CB-CG 4.22Å; R623-F625 HydrophobicContact CB-CD2 4.39Å; R623-F625 HydrophobicContact CB-CE2 3.62Å; R623-F625 HydrophobicContact CB-CZ 4.11Å
626D90.6Very high69Low15 Ų1585.5 Ų85.58%0.0841%0.413CS..  trans-124.5102.2170.3-174.8-19.8000109.5R203 R261 Y624 K628 L629R203-D626 VanDerWaalsContact NH2-C 3.35Å; R203-D626 PolarHBondContact NH2-O 3.34Å; R261-D626 IonicContact CZ-OD1 3.37Å; R261-D626 IonicContact CZ-OD2 3.73Å; R261-D626 IonicContact NH1-OD1 2.7Å; R261-D626 PolarHBondContact NH1-OD1 3.4Å; R261-D626 IonicContact NH1-OD2 3.7Å; R261-D626 PolarHBondContact NH1-OD2 3.01Å; R261-D626 IonicContact NH2-OD1 3.82Å; R261-D626 PolarHBondContact NH2-OD1 2.99Å; R261-D626 IonicContact NH2-OD2 3.66Å; Y624-D626 HydrophobicContact CE1-CB 3.71Å; D626-K628 PolarHBondContact O-N 2.96Å; D626-K628 PolarHBondContact OD1-N 3.27Å; D626-L629 HydrophobicContact CB-CB 4.26Å; D626-L629 HydrophobicContact CB-CD1 3.87Å; D626-L629 HydrophobicContact CB-CG 3.94Å; D626-L629 PolarHBondContact O-N 3.23Å; D626-L629 VanDerWaalsContact O-N 3.13Å
627P91Very high69Low5 Ų587 Ų873%0.03241%0.411CS..THydrogen-bonded Turntrans-61.4-23.8-179.6-24.433.3000114.5I180 I183 F202 R203I180-P627 HydrophobicContact CG2-CB 3.91Å; I180-P627 HydrophobicContact CG2-CG 4Å; I183-P627 HydrophobicContact CD1-CG 4.38Å; F202-P627 HydrophobicContact CB-CB 3.54Å; F202-P627 HydrophobicContact CB-CG 3.91Å; F202-P627 HydrophobicContact CD2-CB 4.43Å; F202-P627 HydrophobicContact CD2-CG 3.86Å; F202-P627 HydrophobicContact CG-CB 4.34Å; F202-P627 HydrophobicContact CG-CG 4.26Å; R203-P627 HydrophobicContact CG-CB 4.38Å
628K87.5Confident69.2Low91 Ų9185 Ų8540%0.39640%0.395SS..THydrogen-bonded Turntrans-79.8-17.7178.3-62-165.5-176-1680112.9I180 L206 D626 Y630I180-K628 HydrophobicContact CG2-CG 4.38Å; L206-K628 HydrophobicContact CD1-CG 4.2Å; D626-K628 PolarHBondContact O-N 2.96Å; D626-K628 PolarHBondContact OD1-N 3.27Å; K628-Y630 PolarHBondContact O-N 3.32Å
629L83.1Confident69.2Low81 Ų8193.6 Ų93.642%0.42443%0.425SS..  trans-82.7114.9177.2-69.4-179.3000111.4R203 D626 R631R203-L629 PolarHBondContact NH1-O 2.61Å; D626-L629 HydrophobicContact CB-CB 4.26Å; D626-L629 HydrophobicContact CB-CD1 3.87Å; D626-L629 HydrophobicContact CB-CG 3.94Å; D626-L629 PolarHBondContact O-N 3.23Å; D626-L629 VanDerWaalsContact O-N 3.13Å; L629-R631 PolarHBondContact O-N 3.22Å
630Y66.3Low69Low201 Ų20197.9 Ų97.979%0.78845%0.453SS*.SBendtrans-67.4-8.4-170.4-136.8-91.4000116K628K628-Y630 PolarHBondContact O-N 3.32Å
631R59.8Low69.4Low196 Ų19694.7 Ų94.774%0.7444%0.437SS*.SBendtrans-142.7120.4-176.8-172.7178.3-73.8175-4.4110.7L629 Q633L629-R631 PolarHBondContact O-N 3.22Å; R631-Q633 PolarHBondContact O-N 3.39Å
632R54.2Low69.4Low129 Ų12997.5 Ų97.549%0.48745%0.448SS..  trans-66.6115.7162-69.2-175.9179.4177.70.7107.5D199D199-R632 IonicContact OD2-CZ 2.91Å; D199-R632 IonicContact OD2-NE 2.75Å; D199-R632 IonicContact OD2-NH2 3.66Å; D199-R632 PolarHBondContact OD2-NH2 3.09Å
633Q52.4Low69.2Low122 Ų12299.5 Ų99.557%0.5746%0.464SS*.  trans-106.3134.5149.3-67.1176.8-47.500105R631 T635 N636R631-Q633 PolarHBondContact O-N 3.39Å; Q633-T635 PolarHBondContact O-N 2.65Å; Q633-N636 PolarHBondContact N-ND2 3.02Å; Q633-N636 WeakPolarHBondContact O-CB 3.46Å; Q633-N636 PolarHBondContact O-N 3.29Å; Q633-N636 PolarHBondContact O-ND2 2.79Å; Q633-N636 PolarHBondContact O-OD1 3.36Å
634D48.1Very low69.1Low155 Ų15596.6 Ų96.683%0.82945%0.453SS*.THydrogen-bonded Turntrans-74.914.2-157.6-56.6-65.3000115.4
635T50.9Low69Low128 Ų12895.4 Ų95.479%0.78545%0.45SS*.THydrogen-bonded Turntrans-135.326.3-177630000112.9Q633 M637Q633-T635 PolarHBondContact O-N 2.65Å; T635-M637 PolarHBondContact O-N 2.62Å
636N51.8Low69.1Low60 Ų6098.4 Ų98.432%0.32146%0.464SS..  trans-90.767.1-165.4-79-1000115.4Y624 Q633Y624-N636 WeakPolarHBondContact CD1-O 3.48Å; Y624-N636 WeakPolarHBondContact CE1-O 3.32Å; Q633-N636 PolarHBondContact N-ND2 3.02Å; Q633-N636 WeakPolarHBondContact O-CB 3.46Å; Q633-N636 PolarHBondContact O-N 3.29Å; Q633-N636 PolarHBondContact O-ND2 2.79Å; Q633-N636 PolarHBondContact O-OD1 3.36Å
637M59Low69.3Low67 Ų6797.7 Ų97.733%0.3346%0.46SS..  trans-85.9129.2151.6-170.9172.2168.900108.5T635 R639 K641T635-M637 PolarHBondContact O-N 2.62Å; M637-R639 PolarHBondContact O-N 2.93Å; M637-K641 HydrophobicContact CE-CD 3.87Å; M637-K641 HydrophobicContact CE-CG 4.12Å
638P57.2Low69.6Low60 Ų6098.1 Ų98.139%0.3946%0.462SS..  trans-56133177.5-2634.5000111.8Y624 V640Y624-P638 HydrophobicContact CE2-CG 4.36Å; Y624-P638 WeakPolarHBondContact OH-CG 3.41Å; P638-V640 PolarHBondContact O-N 2.98Å
639R55.4Low70.1Confident253 Ų25393.9 Ų93.996%0.95544%0.443SS*.SBendtrans-62.9-22.3179-69.7-174.3-177.6178.51113.3M637M637-R639 PolarHBondContact O-N 2.93Å
640V52.7Low70.8Confident117 Ų11790.2 Ų90.271%0.70942%0.424SS*.SBendtrans-95107.5175.4-178.50000108.5P638 Q642P638-V640 PolarHBondContact O-N 2.98Å; V640-Q642 PolarHBondContact O-N 3.49Å
641K65.6Low72.3Confident85 Ų8580.6 Ų80.637%0.3739%0.386SS..  trans-91.962.4-175.7-66.6-161.6-174.3-168.10111.8N613 S615 M637N613-K641 HydrophobicContact CB-CB 3.92Å; N613-K641 HydrophobicContact CB-CD 4.45Å; N613-K641 WeakPolarHBondContact O-CD 3.45Å; S615-K641 PolarHBondContact OG-NZ 3.11Å; M637-K641 HydrophobicContact CE-CD 3.87Å; M637-K641 HydrophobicContact CE-CG 4.12Å
642Q74.4Confident74Confident131 Ų13171.4 Ų71.461%0.61235%0.351SS*.PPolyproline II helixtrans-70.7131.2175-161.4166.50.600109N613 V640N613-Q642 PolarHBondContact ND2-O 3.21Å; V640-Q642 PolarHBondContact O-N 3.49Å
643P83Confident75.7Confident64 Ų6465.2 Ų65.242%0.41633%0.328SS..PPolyproline II helixtrans-64.8154.2-179.828.6-36000110.9Q260 M611Q260-P643 PolarHBondContact NE2-O 2.64Å; M611-P643 CarbonylContact O-C 3.57Å; M611-P643 VanDerWaalsContact O-CA 3.27Å; M611-P643 WeakPolarHBondContact O-CA 3.48Å; M611-P643 WeakPolarHBondContact O-CB 3.46Å
644F88Confident77.5Confident16 Ų1659.6 Ų59.67%0.0730%0.303CS..PPolyproline II helixtrans-90.6128.2177-66.2-87.1000111.2I182 L263 M611 N613I182-F644 HydrophobicContact CB-CE1 4.43Å; I182-F644 HydrophobicContact CD1-CE1 4.02Å; I182-F644 HydrophobicContact CD1-CZ 4.21Å; I182-F644 HydrophobicContact CG2-CZ 4.33Å; L263-F644 HydrophobicContact CB-CB 4.17Å; L263-F644 HydrophobicContact CB-CD1 3.74Å; L263-F644 HydrophobicContact CB-CD2 4.28Å; L263-F644 HydrophobicContact CB-CE1 4.12Å; L263-F644 HydrophobicContact CB-CG 3.82Å; L263-F644 HydrophobicContact CD1-CD2 4.25Å; L263-F644 HydrophobicContact CD1-CE1 4.21Å; L263-F644 HydrophobicContact CD1-CE2 3.87Å; L263-F644 HydrophobicContact CD1-CZ 3.86Å; L263-F644 HydrophobicContact CD2-CB 4.34Å; L263-F644 HydrophobicContact CD2-CD2 3.76Å; L263-F644 HydrophobicContact CD2-CE2 4.17Å; L263-F644 HydrophobicContact CD2-CG 4.05Å; L263-F644 HydrophobicContact CG-CD2 4.33Å; L263-F644 HydrophobicContact CG-CE2 4.45Å; L263-F644 HydrophobicContact CG-CG 4.37Å; M611-F644 VanDerWaalsContact CE-O 3.31Å; M611-F644 WeakPolarHBondContact CE-O 3.34Å; M611-F644 PolarHBondContact O-N 2.93Å; N613-F644 VanDerWaalsContact ND2-CE2 3.26Å; N613-F644 WeakPolarHBondContact ND2-CE2 3.47Å
645D88.2Confident79.7Confident22 Ų2252.3 Ų52.312%0.11826%0.264CS..SBendtrans-82.2-28.3174.2-71.5-8.3000112.3N257 Y713 K715 H716N257-D645 PolarHBondContact ND2-OD2 2.72Å; D645-Y713 WeakPolarHBondContact OD2-CD1 3.49Å; D645-K715 CarbonylContact O-C 3.59Å; D645-K715 VanDerWaalsContact O-CA 3.26Å; D645-K715 WeakPolarHBondContact O-CA 3.34Å; D645-H716 PolarHBondContact O-N 3.15Å
646E91.8Very high81.8Confident69 Ų6946.4 Ų46.432%0.32223%0.228SC..EExtended strand (participates in β ladder)trans-126.2131.6-177.6-176-178.4-156.300111.2P262 L263 F648 H716P262-E646 HydrophobicContact CB-CB 4.47Å; P262-E646 HydrophobicContact CB-CG 4.14Å; L263-E646 PolarHBondContact N-O 3.14Å; E646-F648 HydrophobicContact CG-CE2 4.12Å; E646-H716 WeakPolarHBondContact CA-O 3.36Å; E646-H716 HydrophobicContact CG-CB 4.43Å
647A95Very high83.9Confident0 Ų043.8 Ų43.80%021%0.214CC..EExtended strand (participates in β ladder)trans-134.3138.3174.300000113.6L263 M611 H716 I717 T718L263-A647 HydrophobicContact CB-CB 4.18Å; L263-A647 HydrophobicContact CD2-CB 4.49Å; L263-A647 CarbonylContact O-C 3.58Å; L263-A647 WeakPolarHBondContact O-CA 3.45Å; M611-A647 HydrophobicContact CE-CB 3.8Å; M611-A647 HydrophobicContact CG-CB 3.87Å; M611-A647 HydrophobicContact SD-CB 3.59Å; M611-A647 VanDerWaalsContact SD-CB 3.59Å; A647-H716 PolarHBondContact N-O 2.79Å; A647-I717 CarbonylContact O-C 3.52Å; A647-I717 VanDerWaalsContact O-CA 3.29Å; A647-I717 WeakPolarHBondContact O-CA 3.26Å; A647-T718 PolarHBondContact O-N 3.47Å
648F97.5Very high85.7Confident14 Ų1441.1 Ų41.16%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-101.1121.1166.1-70.9-100.3000107.7I173 F174 L177 P262 L263 L264 I265 E646 T718I173-F648 HydrophobicContact CG2-CD1 4.48Å; I173-F648 HydrophobicContact CG2-CE1 4.29Å; F174-F648 AromaticContact CE1-CD2 3.91Å; F174-F648 HydrophobicContact CE1-CD2 3.91Å; F174-F648 HydrophobicContact CE1-CE2 4.12Å; F174-F648 HydrophobicContact CE1-CG 4.19Å; F174-F648 HydrophobicContact CZ-CB 4Å; F174-F648 HydrophobicContact CZ-CD1 4.2Å; F174-F648 AromaticContact CZ-CD2 3.86Å; F174-F648 HydrophobicContact CZ-CD2 3.86Å; F174-F648 HydrophobicContact CZ-CE2 4.47Å; F174-F648 AromaticContact CZ-CG 3.73Å; F174-F648 HydrophobicContact CZ-CG 3.73Å; L177-F648 HydrophobicContact CD1-CE1 3.7Å; L177-F648 HydrophobicContact CD1-CE2 4.2Å; L177-F648 HydrophobicContact CD1-CZ 3.38Å; P262-F648 HydrophobicContact CB-CD2 3.89Å; P262-F648 HydrophobicContact CB-CE2 3.85Å; P262-F648 HydrophobicContact CG-CE2 4.43Å; L263-F648 PolarHBondContact O-N 3.15Å; L264-F648 CarbonylContact C-O 3.36Å; L264-F648 WeakPolarHBondContact CA-O 3.38Å; L264-F648 HydrophobicContact CD1-CB 3.84Å; I265-F648 PolarHBondContact N-O 2.64Å; E646-F648 HydrophobicContact CG-CE2 4.12Å; F648-T718 CarbonylContact C-O 3.2Å; F648-T718 WeakPolarHBondContact CA-O 3.47Å; F648-T718 HydrophobicContact CD1-CG2 3.84Å; F648-T718 HydrophobicContact CE1-CG2 3.78Å
649V98.2Very high87.5Confident1 Ų138.3 Ų38.31%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-109.7107.9-178.9-176.20000108I265 L267 V607 L663 I717 T718 Y719 G720I265-V649 CarbonylContact O-C 3.58Å; L267-V649 HydrophobicContact CD1-CG1 4.05Å; V607-V649 HydrophobicContact CB-CG2 4.44Å; V607-V649 HydrophobicContact CG1-CG2 3.95Å; V607-V649 HydrophobicContact CG2-CB 4.36Å; V607-V649 HydrophobicContact CG2-CG1 3.81Å; V607-V649 HydrophobicContact CG2-CG2 3.55Å; V649-L663 HydrophobicContact CB-CD1 4.39Å; V649-L663 HydrophobicContact CG1-CD1 4.29Å; V649-L663 HydrophobicContact CG2-CD1 4.48Å; V649-I717 HydrophobicContact CG2-CG2 4.11Å; V649-T718 PolarHBondContact N-O 3.12Å; V649-Y719 HydrophobicContact CB-CD2 4.43Å; V649-Y719 HydrophobicContact CG1-CD2 4.39Å; V649-Y719 CarbonylContact O-C 3.5Å; V649-G720 PolarHBondContact O-N 3.2Å
650F98.3Very high89.5Confident4 Ų426.3 Ų26.32%0.01814%0.138CC..EExtended strand (participates in β ladder)trans-110.1122.1-177.3-167.2-85.1000112.2L136 V166 L170 L264 I265 I266 L267 V652 G720 C721L136-F650 HydrophobicContact CD1-CE2 4.15Å; L136-F650 HydrophobicContact CD1-CZ 3.66Å; L136-F650 HydrophobicContact CD2-CE2 4.38Å; L136-F650 HydrophobicContact CG-CE2 3.98Å; L136-F650 HydrophobicContact CG-CZ 3.86Å; V166-F650 HydrophobicContact CG1-CD1 4.26Å; V166-F650 HydrophobicContact CG1-CE1 3.49Å; V166-F650 VanDerWaalsContact CG1-CE1 3.49Å; V166-F650 HydrophobicContact CG1-CZ 3.93Å; L170-F650 HydrophobicContact CD1-CD1 4.21Å; L170-F650 HydrophobicContact CD1-CG 4.24Å; L170-F650 HydrophobicContact CD2-CB 4.06Å; L170-F650 HydrophobicContact CD2-CD1 4.49Å; L170-F650 HydrophobicContact CD2-CD2 3.54Å; L170-F650 HydrophobicContact CD2-CE2 4.11Å; L170-F650 HydrophobicContact CD2-CG 3.76Å; L170-F650 HydrophobicContact CG-CD2 4.21Å; L170-F650 HydrophobicContact CG-CE2 4.37Å; L170-F650 HydrophobicContact CG-CG 4.32Å; L264-F650 HydrophobicContact CD1-CB 4.29Å; I265-F650 PolarHBondContact O-N 2.92Å; I266-F650 WeakPolarHBondContact CA-O 3.44Å; L267-F650 PolarHBondContact N-O 3.07Å; F650-V652 HydrophobicContact CD1-CG2 4Å; F650-V652 HydrophobicContact CE1-CG2 4.05Å; F650-G720 CarbonylContact C-O 3.46Å; F650-G720 VanDerWaalsContact CA-O 3.29Å; F650-G720 WeakPolarHBondContact CA-O 3.36Å; F650-C721 WeakPolarHBondContact CE2-O 3.31Å; F650-C721 WeakPolarHBondContact CZ-O 3.23Å
651V97.1Very high91.5Very high0 Ų021 Ų210%011%0.105CC..EExtended strand (participates in β ladder)trans-99.7117.4177.7-169.60000110.9R269 F603 G654 Y719 G720 C721 S722R269-V651 HydrophobicContact CB-CG1 4.45Å; F603-V651 HydrophobicContact CD2-CG2 3.88Å; F603-V651 HydrophobicContact CE2-CB 4.28Å; F603-V651 HydrophobicContact CE2-CG1 3.71Å; F603-V651 HydrophobicContact CE2-CG2 3.5Å; F603-V651 VanDerWaalsContact CE2-CG2 3.5Å; F603-V651 HydrophobicContact CZ-CG1 4.08Å; F603-V651 HydrophobicContact CZ-CG2 4.47Å; V651-G654 VanDerWaalsContact CG1-O 3.24Å; V651-G654 WeakPolarHBondContact CG1-O 3.45Å; V651-Y719 HydrophobicContact CG2-CE2 3.69Å; V651-G720 PolarHBondContact N-O 2.64Å; V651-C721 HydrophobicContact CB-CB 4.45Å; V651-C721 WeakPolarHBondContact O-CA 3.42Å; V651-S722 PolarHBondContact O-N 2.98Å; V651-S722 VanDerWaalsContact O-N 3.08Å
652V95.1Very high92.8Very high2 Ų217.9 Ų17.91%0.0129%0.092CC..EExtended strand (participates in β ladder)trans-85.8123.3172.6-173.60000108.8L149 V166 A190 V194 I266 L267 R269 F650L149-V652 HydrophobicContact CD1-CG1 3.99Å; V166-V652 HydrophobicContact CG1-CG2 4.42Å; A190-V652 HydrophobicContact CB-CG1 3.83Å; V194-V652 HydrophobicContact CG2-CG2 4.25Å; I266-V652 HydrophobicContact CG2-CG2 3.67Å; L267-V652 PolarHBondContact O-N 3.08Å; R269-V652 PolarHBondContact N-O 3.04Å; F650-V652 HydrophobicContact CD1-CG2 4Å; F650-V652 HydrophobicContact CE1-CG2 4.05Å
653G89.7Confident93.8Very high0 Ų011.7 Ų11.70%06%0.064CC..THydrogen-bonded Turntrans92.734.8-176.300000113.9F146 R269 S722F146-G653 WeakPolarHBondContact CB-O 3.3Å; R269-G653 WeakPolarHBondContact CB-O 3.48Å; R269-G653 WeakPolarHBondContact CD-O 3.26Å; R269-G653 WeakPolarHBondContact CG-O 3.45Å; G653-S722 PolarHBondContact N-OG 2.84Å
654G90.9Very high94.3Very high3 Ų39.7 Ų9.73%0.0315%0.049CC..  trans98.5133.7170.300000114.9R269 V651 S722 D723R269-G654 WeakPolarHBondContact CD-O 3.23Å; R269-G654 PolarHBondContact NH1-O 3.33Å; V651-G654 VanDerWaalsContact CG1-O 3.24Å; V651-G654 WeakPolarHBondContact CG1-O 3.45Å; G654-S722 PolarHBondContact N-OG 3.36Å; G654-D723 CarbonylContact C-O 3.26Å; G654-D723 VanDerWaalsContact CA-O 3.24Å; G654-D723 WeakPolarHBondContact CA-O 3.15Å
655G94.1Very high94.5Very high2 Ų210.1 Ų10.12%0.0215%0.053CC..BIsolated β-bridgetrans-113.5168.8174.300000113.3Y719 D723 V725G655-Y719 WeakPolarHBondContact CA-OH 3.34Å; G655-D723 PolarHBondContact N-O 3.47Å; G655-V725 PolarHBondContact O-N 3.11Å
656S95.2Very high94.6Very high5 Ų59.6 Ų9.64%0.0355%0.049CC..  trans-137.4150.1179.871.10000112.3V658 E659 Y660 Y719S656-V658 PolarHBondContact O-N 3.27Å; S656-E659 PolarHBondContact O-N 2.9Å; S656-E659 WeakPolarHBondContact OG-CG 3.1Å; S656-E659 PolarHBondContact OG-N 2.82Å; S656-E659 PolarHBondContact OG-OE1 3.48Å; S656-Y660 PolarHBondContact O-N 2.98Å; S656-Y719 PolarHBondContact N-OH 3.47Å; S656-Y719 VanDerWaalsContact N-OH 3.08Å
657Y96.4Very high94.6Very high4 Ų47.3 Ų7.32%0.0164%0.039CC..Hα-helixtrans-63.6-26172.3-76.1-67.8000112.8L133 Q284 H288 I293 Y660 Q661 L724L133-Y657 HydrophobicContact CD2-CD1 4.05Å; L133-Y657 HydrophobicContact CD2-CE1 3.4Å; L133-Y657 VanDerWaalsContact CD2-CE1 3.4Å; Q284-Y657 HydrophobicContact CG-CD1 3.49Å; Q284-Y657 VanDerWaalsContact CG-CD1 3.49Å; Q284-Y657 HydrophobicContact CG-CD2 4.23Å; Q284-Y657 HydrophobicContact CG-CE1 3.63Å; Q284-Y657 HydrophobicContact CG-CE2 4.35Å; Q284-Y657 HydrophobicContact CG-CG 3.8Å; H288-Y657 HydrophobicContact CB-CD2 3.53Å; H288-Y657 HydrophobicContact CB-CE2 3.77Å; H288-Y657 AromaticContact CD2-CD2 3.67Å; H288-Y657 AromaticContact CG-CD2 3.48Å; H288-Y657 VanDerWaalsContact CG-CD2 3.48Å; H288-Y657 AromaticContact CG-CE2 3.59Å; H288-Y657 AromaticContact ND1-CE2 3.65Å; I293-Y657 HydrophobicContact CB-CE2 4.2Å; I293-Y657 HydrophobicContact CD1-CE2 4.01Å; Y657-Y660 HydrophobicContact CD1-CD1 4.12Å; Y657-Y660 PolarHBondContact O-N 3.42Å; Y657-Q661 WeakPolarHBondContact O-CB 3.32Å; Y657-Q661 PolarHBondContact O-N 3.05Å; Y657-L724 HydrophobicContact CD2-CD2 4.11Å; Y657-L724 HydrophobicContact CE1-CD2 3.99Å; Y657-L724 HydrophobicContact CE2-CD2 3.48Å; Y657-L724 VanDerWaalsContact CE2-CD2 3.48Å; Y657-L724 HydrophobicContact CE2-CG 4.42Å; Y657-L724 VanDerWaalsContact CZ-CD2 3.43Å
658V95.1Very high94.3Very high11 Ų1112.6 Ų12.67%0.0676%0.062CC..Hα-helixtrans-61.9-46.9175.9-170.80000110.8H278 E280 L601 S656 N662H278-V658 HydrophobicContact CB-CG1 4.25Å; E280-V658 HydrophobicContact CB-CB 4.33Å; E280-V658 HydrophobicContact CB-CG1 3.92Å; E280-V658 HydrophobicContact CB-CG2 3.65Å; E280-V658 HydrophobicContact CG-CG1 4.16Å; E280-V658 HydrophobicContact CG-CG2 4.24Å; L601-V658 HydrophobicContact CD1-CG1 3.77Å; S656-V658 PolarHBondContact O-N 3.27Å; V658-N662 VanDerWaalsContact O-CB 3.3Å; V658-N662 WeakPolarHBondContact O-CB 3.4Å; V658-N662 PolarHBondContact O-N 3.49Å
659E95.5Very high93.8Very high1 Ų113.6 Ų13.61%0.0057%0.071CC..Hα-helixtrans-66.6-45.8177-75.5152.2-13600112.4R269 F603 S656 Q661 N662 L663 Y719R269-E659 IonicContact CZ-OE1 2.73Å; R269-E659 IonicContact CZ-OE2 3.23Å; R269-E659 VanDerWaalsContact NH1-CD 3.25Å; R269-E659 IonicContact NH1-OE1 3.81Å; R269-E659 PolarHBondContact NH1-OE1 3.1Å; R269-E659 IonicContact NH1-OE2 3.2Å; R269-E659 PolarHBondContact NH1-OE2 2.84Å; R269-E659 VanDerWaalsContact NH2-CD 3.34Å; R269-E659 IonicContact NH2-OE1 2.64Å; R269-E659 PolarHBondContact NH2-OE1 3.47Å; R269-E659 IonicContact NH2-OE2 2.59Å; F603-E659 HydrophobicContact CD2-CG 4.04Å; F603-E659 VanDerWaalsContact CD2-OE2 3.26Å; F603-E659 WeakPolarHBondContact CD2-OE2 3.45Å; F603-E659 WeakPolarHBondContact CE2-OE2 3.31Å; S656-E659 PolarHBondContact O-N 2.9Å; S656-E659 WeakPolarHBondContact OG-CG 3.1Å; S656-E659 PolarHBondContact OG-N 2.82Å; S656-E659 PolarHBondContact OG-OE1 3.48Å; E659-Q661 PolarHBondContact O-N 3.03Å; E659-N662 PolarHBondContact O-N 3.22Å; E659-L663 WeakPolarHBondContact O-CG 3.27Å; E659-L663 PolarHBondContact O-N 3.21Å; E659-Y719 HydrophobicContact CB-CE2 3.93Å; E659-Y719 PolarHBondContact OE2-OH 2.86Å
660Y96.8Very high93.1Very high2 Ų214.8 Ų14.81%0.0088%0.079CC..Hα-helixtrans-54-51.4174.4164.9-110.3000111D132 L133 R345 S656 Y657 N662 L663 L664D132-Y660 HydrophobicContact CB-CE2 4.42Å; D132-Y660 VanDerWaalsContact OD1-CE2 3.31Å; D132-Y660 WeakPolarHBondContact OD1-CE2 3.4Å; D132-Y660 PolarHBondContact OD1-OH 3.44Å; L133-Y660 HydrophobicContact CB-CD2 4.28Å; L133-Y660 HydrophobicContact CB-CE2 3.87Å; L133-Y660 HydrophobicContact CD1-CD2 4.18Å; L133-Y660 HydrophobicContact CD1-CG 4.34Å; R345-Y660 PolarHBondContact NH2-OH 2.94Å; S656-Y660 PolarHBondContact O-N 2.98Å; Y657-Y660 HydrophobicContact CD1-CD1 4.12Å; Y657-Y660 PolarHBondContact O-N 3.42Å; Y660-N662 PolarHBondContact O-N 3.07Å; Y660-L663 PolarHBondContact O-N 2.82Å; Y660-L664 HydrophobicContact CD2-CD1 4.33Å; Y660-L664 HydrophobicContact CD2-CG 4.34Å; Y660-L664 HydrophobicContact CE1-CD1 3.96Å; Y660-L664 HydrophobicContact CE2-CD1 3.68Å; Y660-L664 HydrophobicContact CE2-CD2 4.37Å; Y660-L664 HydrophobicContact CE2-CG 4.06Å; Y660-L664 VanDerWaalsContact CZ-CD1 3.48Å; Y660-L664 WeakPolarHBondContact O-CG 3.49Å; Y660-L664 PolarHBondContact O-N 3.36Å
661Q94.9Very high91.9Very high4 Ų417 Ų172%0.01910%0.095CC..Hα-helixtrans-66-38.8-179-168.653.45300112.5G346 Y657 E659 L663 L664 D665G346-Q661 VanDerWaalsContact CA-CD 3.47Å; Y657-Q661 WeakPolarHBondContact O-CB 3.32Å; Y657-Q661 PolarHBondContact O-N 3.05Å; E659-Q661 PolarHBondContact O-N 3.03Å; Q661-L663 VanDerWaalsContact C-N 3.33Å; Q661-L663 PolarHBondContact O-N 3.45Å; Q661-L664 PolarHBondContact O-N 3.33Å; Q661-D665 PolarHBondContact NE2-OD1 3.31Å; Q661-D665 WeakPolarHBondContact O-CB 3.4Å; Q661-D665 PolarHBondContact O-N 3.22Å
662N94Very high90.1Very high20 Ų2020.5 Ų20.511%0.10712%0.119CC..Hα-helixtrans-65.2-35.9177.9-164.3-96.3000112.2S599 L601 T604 V658 E659 Y660 W666S599-N662 PolarHBondContact O-ND2 3.25Å; L601-N662 HydrophobicContact CD1-CB 3.82Å; L601-N662 HydrophobicContact CG-CB 4.25Å; L601-N662 PolarHBondContact N-OD1 2.92Å; T604-N662 WeakPolarHBondContact CB-OD1 3.4Å; T604-N662 PolarHBondContact OG1-OD1 3.09Å; V658-N662 VanDerWaalsContact O-CB 3.3Å; V658-N662 WeakPolarHBondContact O-CB 3.4Å; V658-N662 PolarHBondContact O-N 3.49Å; E659-N662 PolarHBondContact O-N 3.22Å; Y660-N662 PolarHBondContact O-N 3.07Å; N662-W666 PolarHBondContact O-N 3.42Å; N662-W666 VanDerWaalsContact O-N 3.1Å
663L95.2Very high88.1Confident1 Ų125.9 Ų25.91%0.00515%0.152CC..Hα-helixtrans-67-44.6172.6-71.4166000111.9T604 V607 V649 E659 Y660 Q661 D665 W666 V667 I717 Y719T604-L663 HydrophobicContact CG2-CD2 4.19Å; V607-L663 HydrophobicContact CB-CD2 3.98Å; V607-L663 HydrophobicContact CG1-CD2 4.1Å; V607-L663 HydrophobicContact CG2-CD2 3.96Å; V649-L663 HydrophobicContact CB-CD1 4.39Å; V649-L663 HydrophobicContact CG1-CD1 4.29Å; V649-L663 HydrophobicContact CG2-CD1 4.48Å; E659-L663 WeakPolarHBondContact O-CG 3.27Å; E659-L663 PolarHBondContact O-N 3.21Å; Y660-L663 PolarHBondContact O-N 2.82Å; Q661-L663 VanDerWaalsContact C-N 3.33Å; Q661-L663 PolarHBondContact O-N 3.45Å; L663-D665 VanDerWaalsContact C-N 3.34Å; L663-D665 PolarHBondContact O-N 2.83Å; L663-W666 WeakPolarHBondContact O-CB 3.31Å; L663-W666 PolarHBondContact O-N 3.18Å; L663-V667 WeakPolarHBondContact O-CG2 3.33Å; L663-V667 PolarHBondContact O-N 3.01Å; L663-I717 HydrophobicContact CB-CD1 4.19Å; L663-I717 HydrophobicContact CB-CG2 4.32Å; L663-I717 HydrophobicContact CD1-CG2 4.41Å; L663-I717 HydrophobicContact CD2-CD1 4Å; L663-Y719 HydrophobicContact CD1-CD2 3.5Å; L663-Y719 VanDerWaalsContact CD1-CD2 3.5Å; L663-Y719 HydrophobicContact CD1-CE2 4.12Å; L663-Y719 HydrophobicContact CD1-CG 4.37Å
664L93.5Very high86.1Confident22 Ų2230.7 Ų30.712%0.11518%0.181CC..Hα-helixtrans-64.1-38.6177.3-66.4-169.2000112.5D132 Y660 Q661 V667 K668D132-L664 WeakPolarHBondContact OD2-CD1 3.25Å; D132-L664 VanDerWaalsContact OD2-CD2 3.27Å; D132-L664 WeakPolarHBondContact OD2-CD2 3.36Å; Y660-L664 HydrophobicContact CD2-CD1 4.33Å; Y660-L664 HydrophobicContact CD2-CG 4.34Å; Y660-L664 HydrophobicContact CE1-CD1 3.96Å; Y660-L664 HydrophobicContact CE2-CD1 3.68Å; Y660-L664 HydrophobicContact CE2-CD2 4.37Å; Y660-L664 HydrophobicContact CE2-CG 4.06Å; Y660-L664 VanDerWaalsContact CZ-CD1 3.48Å; Y660-L664 WeakPolarHBondContact O-CG 3.49Å; Y660-L664 PolarHBondContact O-N 3.36Å; Q661-L664 PolarHBondContact O-N 3.33Å; L664-V667 PolarHBondContact O-N 3.29Å; L664-K668 VanDerWaalsContact O-CG 3.31Å; L664-K668 WeakPolarHBondContact O-CG 3.38Å; L664-K668 PolarHBondContact O-N 3.34Å
665D90.9Very high83.5Confident26 Ų2635.4 Ų35.414%0.13921%0.214CC..Hα-helixtrans-68.3-35.4177.1-73.8-7.2000112.2K598 Q661 L663 K668 S669K598-D665 IonicContact NZ-OD2 3.25Å; K598-D665 PolarHBondContact NZ-OD2 2.86Å; Q661-D665 PolarHBondContact NE2-OD1 3.31Å; Q661-D665 WeakPolarHBondContact O-CB 3.4Å; Q661-D665 PolarHBondContact O-N 3.22Å; L663-D665 VanDerWaalsContact C-N 3.34Å; L663-D665 PolarHBondContact O-N 2.83Å; D665-K668 PolarHBondContact O-N 3.14Å; D665-K668 IonicContact OD1-NZ 3.04Å; D665-K668 PolarHBondContact OD1-NZ 3.45Å; D665-S669 PolarHBondContact O-N 3.28Å
666W91.6Very high80.6Confident11 Ų1138.2 Ų38.24%0.04224%0.243CC..Hα-helixtrans-59.9-47.6168.3175.379000111.7Y600 T604 M611 N662 L663 K668 S669 T670 K715 I717Y600-W666 HydrophobicContact CD1-CB 4Å; Y600-W666 HydrophobicContact CD1-CG 4.49Å; Y600-W666 HydrophobicContact CE1-CB 3.63Å; Y600-W666 AromaticContact CE1-CD1 3.79Å; Y600-W666 HydrophobicContact CE1-CG 4.14Å; Y600-W666 AromaticContact CE2-CD1 3.92Å; Y600-W666 AromaticContact CZ-CD1 3.65Å; T604-W666 HydrophobicContact CG2-CB 3.48Å; T604-W666 VanDerWaalsContact CG2-CB 3.48Å; T604-W666 HydrophobicContact CG2-CG 3.81Å; M611-W666 HydrophobicContact CB-CH2 4.3Å; M611-W666 HydrophobicContact SD-CH2 3.74Å; M611-W666 HydrophobicContact SD-CZ3 3.64Å; N662-W666 PolarHBondContact O-N 3.42Å; N662-W666 VanDerWaalsContact O-N 3.1Å; L663-W666 WeakPolarHBondContact O-CB 3.31Å; L663-W666 PolarHBondContact O-N 3.18Å; W666-K668 PolarHBondContact O-N 2.7Å; W666-S669 WeakPolarHBondContact O-CB 3.47Å; W666-S669 PolarHBondContact O-N 2.93Å; W666-S669 VanDerWaalsContact O-N 3.1Å; W666-S669 PolarHBondContact O-OG 3.09Å; W666-T670 HydrophobicContact CD2-CG2 4.26Å; W666-T670 HydrophobicContact CZ2-CG2 4.01Å; W666-T670 PolarHBondContact O-N 3.23Å; W666-T670 VanDerWaalsContact O-N 3.08Å; W666-K715 HydrophobicContact CH2-CD 3.39Å; W666-K715 HydrophobicContact CZ2-CD 4.09Å; W666-K715 HydrophobicContact CZ3-CD 3.79Å; W666-I717 HydrophobicContact CE3-CD1 3.77Å; W666-I717 HydrophobicContact CZ3-CD1 3.74Å
667V91.4Very high77.4Confident20 Ų2045.2 Ų45.212%0.12129%0.286CS..Hα-helixtrans-56-49.6176.8172.40000111.1L663 L664 S669 T670 S671 K715 I717L663-V667 WeakPolarHBondContact O-CG2 3.33Å; L663-V667 PolarHBondContact O-N 3.01Å; L664-V667 PolarHBondContact O-N 3.29Å; V667-S669 VanDerWaalsContact C-N 3.28Å; V667-S669 PolarHBondContact O-N 2.68Å; V667-T670 PolarHBondContact O-N 2.83Å; V667-T670 VanDerWaalsContact O-N 3.07Å; V667-T670 PolarHBondContact O-OG1 2.9Å; V667-S671 PolarHBondContact O-N 3.12Å; V667-K715 HydrophobicContact CG1-CB 4.49Å; V667-K715 WeakPolarHBondContact CG1-O 3.22Å; V667-I717 HydrophobicContact CG2-CB 4.15Å; V667-I717 HydrophobicContact CG2-CD1 3.72Å; V667-I717 HydrophobicContact CG2-CG1 3.74Å
668K89.4Confident74.1Confident111 Ų11150.3 Ų50.348%0.48332%0.322SS..Hα-helixtrans-58.5-35176.8-65.8167.5-164.2163.60113.1L664 D665 W666 S671 S672L664-K668 VanDerWaalsContact O-CG 3.31Å; L664-K668 WeakPolarHBondContact O-CG 3.38Å; L664-K668 PolarHBondContact O-N 3.34Å; D665-K668 PolarHBondContact O-N 3.14Å; D665-K668 IonicContact OD1-NZ 3.04Å; D665-K668 PolarHBondContact OD1-NZ 3.45Å; W666-K668 PolarHBondContact O-N 2.7Å; K668-S671 PolarHBondContact O-OG 2.92Å; K668-S671 VanDerWaalsContact O-OG 3.11Å; K668-S672 PolarHBondContact O-N 2.92Å; K668-S672 PolarHBondContact O-OG 3.3Å
669S86.8Confident70.9Confident35 Ų3558.4 Ų58.425%0.24537%0.365CS..Hα-helixtrans-70.2-33.3176.281.20000112.9Y600 D665 W666 V667 S672 T673Y600-S669 PolarHBondContact OH-OG 3.12Å; D665-S669 PolarHBondContact O-N 3.28Å; W666-S669 WeakPolarHBondContact O-CB 3.47Å; W666-S669 PolarHBondContact O-N 2.93Å; W666-S669 VanDerWaalsContact O-N 3.1Å; W666-S669 PolarHBondContact O-OG 3.09Å; V667-S669 VanDerWaalsContact C-N 3.28Å; V667-S669 PolarHBondContact O-N 2.68Å; S669-S672 PolarHBondContact O-OG 3.44Å; S669-S672 VanDerWaalsContact O-OG 3.06Å; S669-T673 PolarHBondContact O-N 2.85Å; S669-T673 PolarHBondContact O-OG1 3.02Å
670T83.1Confident67.9Low27 Ų2762.5 Ų62.517%0.16640%0.399CS..Hα-helixtrans-75.3-34-179.861.40000112.8W666 V667 K715W666-T670 HydrophobicContact CD2-CG2 4.26Å; W666-T670 HydrophobicContact CZ2-CG2 4.01Å; W666-T670 PolarHBondContact O-N 3.23Å; W666-T670 VanDerWaalsContact O-N 3.08Å; V667-T670 PolarHBondContact O-N 2.83Å; V667-T670 VanDerWaalsContact O-N 3.07Å; V667-T670 PolarHBondContact O-OG1 2.9Å; T670-K715 HydrophobicContact CG2-CD 4.42Å
671S73.5Confident64.6Low51 Ų5168.5 Ų68.536%0.35744%0.441SS..Hα-helixtrans-71.5-42177.359.20000112.5V667 K668 T673 T674V667-S671 PolarHBondContact O-N 3.12Å; K668-S671 PolarHBondContact O-OG 2.92Å; K668-S671 VanDerWaalsContact O-OG 3.11Å; S671-T673 VanDerWaalsContact C-N 3.29Å; S671-T673 PolarHBondContact O-N 3.48Å; S671-T674 PolarHBondContact O-N 3.48Å
672S59.4Low61.6Low73 Ų7373.9 Ų73.951%0.5148%0.479SS..Hα-helixtrans-64.8-26177.851.70000114.6K668 S669 T674 S675K668-S672 PolarHBondContact O-N 2.92Å; K668-S672 PolarHBondContact O-OG 3.3Å; S669-S672 PolarHBondContact O-OG 3.44Å; S669-S672 VanDerWaalsContact O-OG 3.06Å; S672-T674 PolarHBondContact O-N 3.13Å; S672-S675 PolarHBondContact O-OG 2.96Å
673T53.1Low58.7Low115 Ų11579.3 Ų79.371%0.70651%0.513SS*.THydrogen-bonded Turntrans-70.4-19.1179-58.60000112.9S669 S671S669-T673 PolarHBondContact O-N 2.85Å; S669-T673 PolarHBondContact O-OG1 3.02Å; S671-T673 VanDerWaalsContact C-N 3.29Å; S671-T673 PolarHBondContact O-N 3.48Å
674T46.2Very low55.4Low100 Ų10084.4 Ų84.461%0.61355%0.549SS*.THydrogen-bonded Turntrans-90.4-15.9-174.5-52.20000113.3S671 S672 G676 A712S671-T674 PolarHBondContact O-N 3.48Å; S672-T674 PolarHBondContact O-N 3.13Å; T674-G676 PolarHBondContact O-N 3.04Å; T674-A712 HydrophobicContact CG2-CB 4.32Å
675S36.8Very low52.4Low102 Ų10291.8 Ų91.871%0.71359%0.588SS**SBendtrans-99.551.6-175.9380000113S672S672-S675 PolarHBondContact O-OG 2.96Å
676G33.9Very low49.4Very low61 Ų6196.4 Ų96.463%0.62962%0.617SS**  trans-134.731.3-161.400000119T674T674-G676 PolarHBondContact O-N 3.04Å
677T27.9Very low46.5Very low152 Ų152102.9 Ų102.993%0.93365%0.652SS**  trans-142.568.7164.2-1.40000114.2
678S27.9Very low43.7Very low111 Ų111107.7 Ų107.778%0.77669%0.686SS**  trans-145.596161.559.20000110.5A680S678-A680 PolarHBondContact O-N 3.45Å
679N27.7Very low40.9Very low182 Ų182108.5 Ų108.597%0.97370%0.7SS**  trans-64.8104.5170.7-86.6-16.6000109.7
680A31.4Very low38.2Very low86 Ų86114.7 Ų114.771%0.71173%0.731SS**  trans-131.199.4165.500000108.8S678 S682S678-A680 PolarHBondContact O-N 3.45Å; A680-S682 PolarHBondContact O-N 3.45Å
681S27.5Very low35.8Very low128 Ų128117.3 Ų117.390%0.89576%0.763SS**  trans-67.2117.5171.551.10000110.5
682S32.4Very low33.8Very low117 Ų117122.2 Ų122.282%0.81878%0.784SS**  trans-122.6109.1167.853.80000110.9A680A680-S682 PolarHBondContact O-N 3.45Å
683T32.4Very low32.4Very low134 Ų134125.7 Ų125.782%0.82280%0.797SS**  trans-66.4145.6172.941.10000112.1
684S27.6Very low31.6Very low108 Ų108125.6 Ų125.676%0.75580%0.801SS**  trans-37.5134.716753.90000115.7
685L29.9Very low30.8Very low178 Ų178132 Ų13293%0.93281%0.814SS**  trans-143.4127.1150.9-78.6-177.9000111.8
686T26.8Very low30.6Very low122 Ų122132.7 Ų132.775%0.74882%0.818SS**  trans-109.5153.5168.7500000110
687N30.9Very low30.6Very low148 Ų148133.4 Ų133.479%0.79183%0.826SS**  trans67.8125.1173-55.5-15.9000115.2
688S33.1Very low31.1Very low120 Ų120132.6 Ų132.684%0.83982%0.823SS**  -168.8168.567.5-65.50000112.9
689V30.3Very low31.1Very low128 Ų128131.4 Ų131.478%0.77683%0.829SS**  trans-112.4152.7-176.7167.30000111.3
690N31.4Very low31.4Very low165 Ų165126.5 Ų126.588%0.88282%0.82SS**  trans80.1132.8172-66.5-23.9000119.7
691G31.5Very low31.3Very low82 Ų82131.2 Ų131.285%0.84583%0.827SS**  trans164.681.4168.600000117
692I31.9Very low31.5Very low154 Ų154133.2 Ų133.279%0.7983%0.828SS**  trans-58.4144.8-176.4-69.4160.1000117
693N30.7Very low31.4Very low147 Ų147132.6 Ų132.679%0.78682%0.824SS**  trans55.4127.8158.5-67.9-18000120.1
694S34.5Very low31.3Very low113 Ų113132 Ų13279%0.7983%0.825SS**  173.514965.9440000115.1
695R31.3Very low31.3Very low235 Ų235130.3 Ų130.389%0.88783%0.825SS**  trans47.6113.3145.7-100.1-179.2175.9171.5-2.2124.5
696S32.7Very low31.2Very low115 Ų115126.4 Ų126.480%0.80482%0.818SS**  63.5126.6122.164.50000123.7
697G33Very low31.4Very low76 Ų76125.7 Ų125.778%0.78482%0.815SS**  trans159.5120.2155.800000114
698P38Very low31.1Very low136 Ų136126.6 Ų126.688%0.88382%0.82SS**  trans-111.2160.9-171.440-33.2000115.6
699G29Very low31.1Very low86 Ų86127.5 Ų127.589%0.88781%0.814SS**  trans136.4126.2157.300000115.4
700G33.1Very low31.1Very low78 Ų78124.5 Ų124.580%0.80481%0.809SS**  trans161.693.9173.900000112.8
701H29.2Very low31.2Very low185 Ų185121.2 Ų121.286%0.85680%0.795SS**  trans-69.7134.8166-99.4-103.1000109.4
702D32.1Very low31.5Very low171 Ų171120.4 Ų120.491%0.91478%0.781SS**  trans-148.8138.3147-109.5-31.7000110.7
703S29.9Very low32.5Very low103 Ų103121.2 Ų121.272%0.7278%0.775SS**  trans-138.496.9-172.759.30000111.2
704S29.9Very low34.5Very low123 Ų123117.7 Ų117.786%0.8676%0.762SS**  trans-176.1142.515649.30000111.6
705G28.2Very low37Very low72 Ų72113.7 Ų113.774%0.74273%0.73SS**  trans89.259.8162.100000116.2P707G705-P707 WeakPolarHBondContact O-CD 3.42Å
706A28.8Very low39.9Very low96 Ų96106.8 Ų106.879%0.79371%0.708SS**  trans-61.5120.4153.500000107.8N708A706-N708 PolarHBondContact O-N 3Å
707P29.4Very low42.9Very low106 Ų106101.5 Ų101.569%0.68867%0.67SS**  trans-65.1128.5173.127.9-32.2000107.3G705 I709G705-P707 WeakPolarHBondContact O-CD 3.42Å; P707-I709 PolarHBondContact O-N 3.45Å
708N26.1Very low46Very low167 Ų16798.3 Ų98.389%0.89364%0.636SS**  trans-71.586.3174.9-155.519000107.2A706 G710A706-N708 PolarHBondContact O-N 3Å; N708-G710 VanDerWaalsContact C-N 3.27Å; N708-G710 PolarHBondContact O-N 2.85Å
709I31.8Very low48.8Very low140 Ų14091.9 Ų91.972%0.71859%0.594SS**  trans-64.495.5174-62.8175.5000105.7P707 T711P707-I709 PolarHBondContact O-N 3.45Å; I709-T711 PolarHBondContact O-N 2.74Å
710G29.6Very low52.1Low64 Ų6488 Ų8866%0.6655%0.554SS**  trans-55.8115.5169.300000107.3N708 A712N708-G710 VanDerWaalsContact C-N 3.27Å; N708-G710 PolarHBondContact O-N 2.85Å; G710-A712 PolarHBondContact O-N 2.96Å
711T33.7Very low55.1Low97 Ų9784.3 Ų84.360%0.59552%0.516SS*.  trans-57.4103.6173.444.70000107.4I709 Y713I709-T711 PolarHBondContact O-N 2.74Å; T711-Y713 PolarHBondContact O-N 3.23Å; T711-Y713 VanDerWaalsContact O-N 3.16Å
712A39.3Very low58.3Low65 Ų6575.7 Ų75.754%0.53748%0.477SS..  trans-58.1123178.600000108T674 G710 S714T674-A712 HydrophobicContact CG2-CB 4.32Å; G710-A712 PolarHBondContact O-N 2.96Å; A712-S714 VanDerWaalsContact C-N 3.31Å; A712-S714 PolarHBondContact O-N 3.02Å
713Y51.2Low61.1Low170 Ų17067.9 Ų67.967%0.66744%0.435SS*.  trans-64.492.1180-59.1-89.2000108.7D645 T711 K715D645-Y713 WeakPolarHBondContact OD2-CD1 3.49Å; T711-Y713 PolarHBondContact O-N 3.23Å; T711-Y713 VanDerWaalsContact O-N 3.16Å; Y713-K715 PolarHBondContact O-N 2.86Å
714S73.2Confident64.1Low74 Ų7463.5 Ų63.552%0.51740%0.403SS..  trans-75.5117.9175-171.30000108A712A712-S714 VanDerWaalsContact C-N 3.31Å; A712-S714 PolarHBondContact O-N 3.02Å
715K86.9Confident67Low29 Ų2957.9 Ų57.913%0.12636%0.364CS..  trans-60.6147.3169.6-60.8-174.7-172.41760109.5M611 E612 D645 W666 V667 T670 Y713M611-K715 HydrophobicContact CE-CB 4.14Å; M611-K715 HydrophobicContact CE-CD 4.28Å; M611-K715 HydrophobicContact CE-CG 4.38Å; E612-K715 IonicContact OE1-NZ 3.59Å; E612-K715 PolarHBondContact OE1-NZ 2.91Å; D645-K715 CarbonylContact O-C 3.59Å; D645-K715 VanDerWaalsContact O-CA 3.26Å; D645-K715 WeakPolarHBondContact O-CA 3.34Å; W666-K715 HydrophobicContact CH2-CD 3.39Å; W666-K715 HydrophobicContact CZ2-CD 4.09Å; W666-K715 HydrophobicContact CZ3-CD 3.79Å; V667-K715 HydrophobicContact CG1-CB 4.49Å; V667-K715 WeakPolarHBondContact CG1-O 3.22Å; T670-K715 HydrophobicContact CG2-CD 4.42Å; Y713-K715 PolarHBondContact O-N 2.86Å
716H92.9Very high70.2Confident89 Ų8954.7 Ų54.741%0.41233%0.33SS..EExtended strand (participates in β ladder)trans-126135.5174-170-93.5000109.4D645 E646 A647D645-H716 PolarHBondContact O-N 3.15Å; E646-H716 WeakPolarHBondContact CA-O 3.36Å; E646-H716 HydrophobicContact CG-CB 4.43Å; A647-H716 PolarHBondContact N-O 2.79Å
717I95.3Very high73.3Confident4 Ų450.5 Ų50.52%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-125.1133.2173.2-70.3-175.9000108.5D132 V607 M611 A647 V649 L663 W666 V667D132-I717 WeakPolarHBondContact CB-O 3.21Å; V607-I717 HydrophobicContact CG1-CD1 3.77Å; M611-I717 HydrophobicContact SD-CD1 4.21Å; M611-I717 HydrophobicContact SD-CG1 4.13Å; A647-I717 CarbonylContact O-C 3.52Å; A647-I717 VanDerWaalsContact O-CA 3.29Å; A647-I717 WeakPolarHBondContact O-CA 3.26Å; V649-I717 HydrophobicContact CG2-CG2 4.11Å; L663-I717 HydrophobicContact CB-CD1 4.19Å; L663-I717 HydrophobicContact CB-CG2 4.32Å; L663-I717 HydrophobicContact CD1-CG2 4.41Å; L663-I717 HydrophobicContact CD2-CD1 4Å; W666-I717 HydrophobicContact CE3-CD1 3.77Å; W666-I717 HydrophobicContact CZ3-CD1 3.74Å; V667-I717 HydrophobicContact CG2-CB 4.15Å; V667-I717 HydrophobicContact CG2-CD1 3.72Å; V667-I717 HydrophobicContact CG2-CG1 3.74Å
718T97.5Very high76.5Confident10 Ų1047.4 Ų47.46%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-111.1121.3160.6-600000108D132 L134 A647 F648 V649D132-T718 CarbonylContact O-C 3.52Å; D132-T718 WeakPolarHBondContact O-CA 3.43Å; L134-T718 HydrophobicContact CD1-CG2 3.77Å; L134-T718 HydrophobicContact CG-CG2 3.88Å; A647-T718 PolarHBondContact O-N 3.47Å; F648-T718 CarbonylContact C-O 3.2Å; F648-T718 WeakPolarHBondContact CA-O 3.47Å; F648-T718 HydrophobicContact CD1-CG2 3.84Å; F648-T718 HydrophobicContact CE1-CG2 3.78Å; V649-T718 PolarHBondContact N-O 3.12Å
719Y98.2Very high79.7Confident1 Ų141.6 Ų41.60%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-89.3141.7174.8-177.7-100.3000110.2D132 L133 L134 V649 V651 G655 S656 E659 L663 C721D132-Y719 PolarHBondContact O-N 3.44Å; L133-Y719 HydrophobicContact CD1-CD1 3.61Å; L133-Y719 HydrophobicContact CD1-CE1 4.36Å; L134-Y719 PolarHBondContact N-O 2.92Å; V649-Y719 HydrophobicContact CB-CD2 4.43Å; V649-Y719 HydrophobicContact CG1-CD2 4.39Å; V649-Y719 CarbonylContact O-C 3.5Å; V651-Y719 HydrophobicContact CG2-CE2 3.69Å; G655-Y719 WeakPolarHBondContact CA-OH 3.34Å; S656-Y719 PolarHBondContact N-OH 3.47Å; S656-Y719 VanDerWaalsContact N-OH 3.08Å; E659-Y719 HydrophobicContact CB-CE2 3.93Å; E659-Y719 PolarHBondContact OE2-OH 2.86Å; L663-Y719 HydrophobicContact CD1-CD2 3.5Å; L663-Y719 VanDerWaalsContact CD1-CD2 3.5Å; L663-Y719 HydrophobicContact CD1-CE2 4.12Å; L663-Y719 HydrophobicContact CD1-CG 4.37Å; Y719-C721 HydrophobicContact CE1-CB 4.43Å
720G97.6Very high82.7Confident5 Ų535 Ų355%0.05221%0.209CC..EExtended strand (participates in β ladder)trans-139149.4-178.500000110.8L134 V649 F650 V651L134-G720 VanDerWaalsContact O-CA 3.29Å; L134-G720 WeakPolarHBondContact O-CA 3.32Å; V649-G720 PolarHBondContact O-N 3.2Å; F650-G720 CarbonylContact C-O 3.46Å; F650-G720 VanDerWaalsContact CA-O 3.29Å; F650-G720 WeakPolarHBondContact CA-O 3.36Å; V651-G720 PolarHBondContact N-O 2.64Å
721C97Very high85.8Confident0 Ų032.7 Ų32.70%018%0.181CC..EExtended strand (participates in β ladder)trans-147.7160.6172.8560000111.9L134 T135 L136 F650 V651 Y719 D723L134-C721 PolarHBondContact O-N 3.4Å; T135-C721 CarbonylContact C-O 3.46Å; T135-C721 WeakPolarHBondContact CA-O 3.26Å; L136-C721 PolarHBondContact N-O 2.94Å; F650-C721 WeakPolarHBondContact CE2-O 3.31Å; F650-C721 WeakPolarHBondContact CZ-O 3.23Å; V651-C721 HydrophobicContact CB-CB 4.45Å; V651-C721 WeakPolarHBondContact O-CA 3.42Å; Y719-C721 HydrophobicContact CE1-CB 4.43Å; C721-D723 PolarHBondContact O-N 3.5Å; C721-D723 PolarHBondContact SG-O 3.15Å
722S94.7Very high88.7Confident4 Ų432.5 Ų32.53%0.02818%0.176CC..SBendtrans-63.9-33.1172.452.30000112.3S145 V651 G653 G654S145-S722 WeakPolarHBondContact CB-OG 3.29Å; S145-S722 VanDerWaalsContact OG-CB 3.32Å; S145-S722 WeakPolarHBondContact OG-CB 3.35Å; S145-S722 PolarHBondContact OG-OG 3.08Å; V651-S722 PolarHBondContact O-N 2.98Å; V651-S722 VanDerWaalsContact O-N 3.08Å; G653-S722 PolarHBondContact N-OG 2.84Å; G654-S722 PolarHBondContact N-OG 3.36Å
723D92.5Very high91.3Very high7 Ų729.7 Ų29.74%0.03715%0.152CC..  trans-163.2140.1-177.840.6-39.9000108.3S144 S145 G654 G655 C721 V725S144-D723 VanDerWaalsContact CB-OD2 3.24Å; S144-D723 WeakPolarHBondContact CB-OD2 3.47Å; S145-D723 WeakPolarHBondContact CB-OD1 3.33Å; S145-D723 PolarHBondContact N-OD2 3.34Å; S145-D723 PolarHBondContact OG-OD1 3.2Å; G654-D723 CarbonylContact C-O 3.26Å; G654-D723 VanDerWaalsContact CA-O 3.24Å; G654-D723 WeakPolarHBondContact CA-O 3.15Å; G655-D723 PolarHBondContact N-O 3.47Å; C721-D723 PolarHBondContact O-N 3.5Å; C721-D723 PolarHBondContact SG-O 3.15Å; D723-V725 HydrophobicContact CB-CG2 4.32Å
724L92.6Very high93.4Very high10 Ų1021.6 Ų21.65%0.05212%0.12CC..BIsolated β-bridgetrans-93.7121.5173.7-161.571.8000108.7L129 R294 Y657L129-L724 HydrophobicContact CD1-CD2 3.87Å; R294-L724 PolarHBondContact NH1-O 2.72Å; R294-L724 VanDerWaalsContact NH1-O 3.15Å; Y657-L724 HydrophobicContact CD2-CD2 4.11Å; Y657-L724 HydrophobicContact CE1-CD2 3.99Å; Y657-L724 HydrophobicContact CE2-CD2 3.48Å; Y657-L724 VanDerWaalsContact CE2-CD2 3.48Å; Y657-L724 HydrophobicContact CE2-CG 4.42Å; Y657-L724 VanDerWaalsContact CZ-CD2 3.43Å
725V90.8Very high94.5Very high6 Ų618 Ų184%0.03610%0.096CC..  trans-124.2132.5-164.8-1700000110.2H288 G655 D723 E729 F730H288-V725 VanDerWaalsContact NE2-C 3.34Å; H288-V725 PolarHBondContact NE2-O 2.72Å; G655-V725 PolarHBondContact O-N 3.11Å; D723-V725 HydrophobicContact CB-CG2 4.32Å; V725-E729 HydrophobicContact CG1-CB 3.56Å; V725-F730 HydrophobicContact CG1-CB 3.88Å
726S94Very high94.8Very high4 Ų420.3 Ų20.33%0.02811%0.105CC..  trans-76.1158.4176.986.20000112H288 S728 E729 F730H288-S726 VanDerWaalsContact NE2-CA 3.26Å; H288-S726 WeakPolarHBondContact NE2-CA 3.49Å; H288-S726 PolarHBondContact NE2-N 3.34Å; S726-S728 VanDerWaalsContact C-N 3.26Å; S726-S728 PolarHBondContact O-N 2.79Å; S726-E729 PolarHBondContact N-OE2 3.03Å; S726-E729 VanDerWaalsContact N-OE2 3.12Å; S726-E729 PolarHBondContact O-N 2.76Å; S726-E729 VanDerWaalsContact O-N 3.07Å; S726-E729 WeakPolarHBondContact OG-CG 3.42Å; S726-E729 PolarHBondContact OG-N 2.96Å; S726-F730 PolarHBondContact O-N 3.25Å
727P95.8Very high94.8Very high9 Ų916.2 Ų16.26%0.0589%0.087CC..Hα-helixtrans-53.6-41.8177.7-26.935000113.1P276 D289 R477 L731P276-P727 WeakPolarHBondContact O-CA 3.45Å; P276-P727 WeakPolarHBondContact O-CB 3.29Å; P276-P727 WeakPolarHBondContact O-CG 3.42Å; D289-P727 HydrophobicContact CB-CG 4.27Å; R477-P727 VanDerWaalsContact CZ-CB 3.49Å; P727-L731 VanDerWaalsContact O-CB 3.25Å; P727-L731 WeakPolarHBondContact O-CB 3.33Å; P727-L731 PolarHBondContact O-N 3.17Å
728S94.8Very high94.7Very high41 Ų4116.1 Ų16.129%0.2879%0.086SC..Hα-helixtrans-68.4-36.6177.8-44.30000112.9E473 S726 L732E473-S728 WeakPolarHBondContact OE1-CA 3.5Å; E473-S728 VanDerWaalsContact OE1-CB 3.25Å; E473-S728 WeakPolarHBondContact OE1-CB 3.26Å; E473-S728 PolarHBondContact OE1-OG 2.76Å; S726-S728 VanDerWaalsContact C-N 3.26Å; S726-S728 PolarHBondContact O-N 2.79Å; S728-L732 WeakPolarHBondContact O-CB 3.44Å; S728-L732 PolarHBondContact O-N 3.45Å
729E94Very high94.6Very high45 Ų4521.4 Ų21.421%0.2111%0.108CC..Hα-helixtrans-69.4-44.6176.2-71.2172.9162.400111.3N292 R294 V725 S726 L731 L732 E733N292-E729 PolarHBondContact ND2-OE1 2.65Å; R294-E729 IonicContact CZ-OE1 3.32Å; R294-E729 IonicContact CZ-OE2 3.06Å; R294-E729 IonicContact NE-OE1 3.45Å; R294-E729 IonicContact NH2-OE1 3.48Å; R294-E729 PolarHBondContact NH2-OE1 3.28Å; R294-E729 IonicContact NH2-OE2 3.2Å; R294-E729 PolarHBondContact NH2-OE2 3.02Å; V725-E729 HydrophobicContact CG1-CB 3.56Å; S726-E729 PolarHBondContact N-OE2 3.03Å; S726-E729 VanDerWaalsContact N-OE2 3.12Å; S726-E729 PolarHBondContact O-N 2.76Å; S726-E729 VanDerWaalsContact O-N 3.07Å; S726-E729 WeakPolarHBondContact OG-CG 3.42Å; S726-E729 PolarHBondContact OG-N 2.96Å; E729-L731 VanDerWaalsContact C-N 3.34Å; E729-L731 PolarHBondContact O-N 3.29Å; E729-L732 WeakPolarHBondContact O-CB 3.49Å; E729-L732 PolarHBondContact O-N 3.33Å; E729-L732 VanDerWaalsContact O-N 3.15Å; E729-E733 WeakPolarHBondContact O-CG 3.5Å; E729-E733 PolarHBondContact O-N 2.92Å
730F95.4Very high94.2Very high2 Ų224.3 Ų24.31%0.00912%0.122CC..Hα-helixtrans-64.9-39.5176.8-171.3-116.5000111.4F146 R269 L273 P276 L277 V725 S726 L732 E733 L734F146-F730 HydrophobicContact CB-CE2 4.39Å; F146-F730 AromaticContact CD1-CE2 3.81Å; F146-F730 HydrophobicContact CD1-CE2 3.81Å; F146-F730 HydrophobicContact CD1-CZ 4.44Å; F146-F730 HydrophobicContact CE1-CE2 4.25Å; F146-F730 HydrophobicContact CE1-CZ 4.44Å; F146-F730 HydrophobicContact CG-CE2 4Å; R269-F730 HydrophobicContact CG-CE2 3.91Å; R269-F730 HydrophobicContact CG-CZ 3.92Å; L273-F730 HydrophobicContact CD2-CZ 3.93Å; P276-F730 HydrophobicContact CB-CD1 3.73Å; P276-F730 HydrophobicContact CB-CE1 4.02Å; P276-F730 HydrophobicContact CB-CG 4.15Å; P276-F730 HydrophobicContact CG-CD1 4.3Å; P276-F730 HydrophobicContact CG-CE1 4.09Å; P276-F730 HydrophobicContact CG-CZ 4.43Å; L277-F730 HydrophobicContact CD2-CD1 3.86Å; L277-F730 HydrophobicContact CG-CD1 3.99Å; L277-F730 HydrophobicContact CG-CE1 4.4Å; V725-F730 HydrophobicContact CG1-CB 3.88Å; S726-F730 PolarHBondContact O-N 3.25Å; F730-L732 VanDerWaalsContact C-N 3.32Å; F730-L732 PolarHBondContact O-N 3.13Å; F730-E733 WeakPolarHBondContact O-CB 3.34Å; F730-E733 PolarHBondContact O-N 3.38Å; F730-E733 VanDerWaalsContact O-N 3.15Å; F730-L734 HydrophobicContact CD1-CD1 4.15Å; F730-L734 HydrophobicContact CE1-CD1 4Å; F730-L734 HydrophobicContact CE1-CG 4.41Å; F730-L734 HydrophobicContact CZ-CD2 4.39Å; F730-L734 WeakPolarHBondContact O-CG 3.39Å; F730-L734 PolarHBondContact O-N 3.24Å
731L95.5Very high93.6Very high14 Ų1430 Ų307%0.07315%0.151CC..Hα-helixtrans-62-38.8172.8-173.565.5000112.2L277 E473 L476 R477 I480 P543 P727 E729 E733 L734 G735L277-L731 HydrophobicContact CD2-CB 4.15Å; L277-L731 HydrophobicContact CD2-CD1 4.49Å; E473-L731 HydrophobicContact CG-CD2 3.59Å; L476-L731 HydrophobicContact CD2-CD1 4.25Å; L476-L731 HydrophobicContact CD2-CD2 4.07Å; L476-L731 HydrophobicContact CG-CD1 4.19Å; L476-L731 HydrophobicContact CG-CD2 4.37Å; R477-L731 HydrophobicContact CG-CD2 4.46Å; I480-L731 HydrophobicContact CD1-CD1 3.38Å; P543-L731 HydrophobicContact CB-CD1 3.72Å; P543-L731 HydrophobicContact CG-CD1 3.79Å; P543-L731 HydrophobicContact CG-CG 4.23Å; P727-L731 VanDerWaalsContact O-CB 3.25Å; P727-L731 WeakPolarHBondContact O-CB 3.33Å; P727-L731 PolarHBondContact O-N 3.17Å; E729-L731 VanDerWaalsContact C-N 3.34Å; E729-L731 PolarHBondContact O-N 3.29Å; L731-E733 VanDerWaalsContact C-N 3.32Å; L731-E733 PolarHBondContact O-N 2.8Å; L731-L734 PolarHBondContact O-N 3.18Å; L731-G735 PolarHBondContact O-N 2.76Å
732L94.2Very high93.4Very high93 Ų9331.6 Ų31.649%0.48716%0.159SC..Hα-helixtrans-64.6-34.4173.9179.766.3000112.2S728 E729 F730 G735 K736S728-L732 WeakPolarHBondContact O-CB 3.44Å; S728-L732 PolarHBondContact O-N 3.45Å; E729-L732 WeakPolarHBondContact O-CB 3.49Å; E729-L732 PolarHBondContact O-N 3.33Å; E729-L732 VanDerWaalsContact O-N 3.15Å; F730-L732 VanDerWaalsContact C-N 3.32Å; F730-L732 PolarHBondContact O-N 3.13Å; L732-G735 PolarHBondContact O-N 2.68Å; L732-K736 WeakPolarHBondContact O-CG 3.47Å; L732-K736 PolarHBondContact O-N 2.92Å
733E93.4Very high93.3Very high6 Ų633 Ų333%0.02817%0.165CC..Hα-helixtrans-66-49.4173.6-67.9168.6-161.100112.2S144 F146 E729 F730 L731 G735 K736 L737S144-E733 WeakPolarHBondContact CB-OE1 3.4Å; S144-E733 WeakPolarHBondContact OG-CG 3.48Å; S144-E733 PolarHBondContact OG-OE1 2.66Å; F146-E733 WeakPolarHBondContact CB-OE2 3.5Å; E729-E733 WeakPolarHBondContact O-CG 3.5Å; E729-E733 PolarHBondContact O-N 2.92Å; F730-E733 WeakPolarHBondContact O-CB 3.34Å; F730-E733 PolarHBondContact O-N 3.38Å; F730-E733 VanDerWaalsContact O-N 3.15Å; L731-E733 VanDerWaalsContact C-N 3.32Å; L731-E733 PolarHBondContact O-N 2.8Å; E733-G735 PolarHBondContact O-N 2.88Å; E733-K736 WeakPolarHBondContact O-CB 3.27Å; E733-K736 PolarHBondContact O-N 2.69Å; E733-L737 WeakPolarHBondContact O-CG 3.38Å; E733-L737 PolarHBondContact O-N 3.28Å
734L94.9Very high93.4Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-56.5-36.7173-60.9172.7000110.7F146 L277 P543 Y546 I547 F730 L731 G738F146-L734 HydrophobicContact CE1-CD2 3.83Å; L277-L734 HydrophobicContact CD1-CD1 4.09Å; P543-L734 HydrophobicContact CB-CB 3.92Å; Y546-L734 HydrophobicContact CD1-CD2 3.53Å; Y546-L734 HydrophobicContact CE1-CD2 3.67Å; I547-L734 HydrophobicContact CD1-CD1 4.5Å; F730-L734 HydrophobicContact CD1-CD1 4.15Å; F730-L734 HydrophobicContact CE1-CD1 4Å; F730-L734 HydrophobicContact CE1-CG 4.41Å; F730-L734 HydrophobicContact CZ-CD2 4.39Å; F730-L734 WeakPolarHBondContact O-CG 3.39Å; F730-L734 PolarHBondContact O-N 3.24Å; L731-L734 PolarHBondContact O-N 3.18Å; L734-G738 PolarHBondContact O-N 3.3Å
735G95.6Very high93.4Very high0 Ų035.9 Ų35.90%018%0.18CC..Hα-helixtrans-67.8-36.4174.900000114.2S542 L731 L732 E733 K739S542-G735 VanDerWaalsContact CB-O 3.31Å; S542-G735 WeakPolarHBondContact CB-O 3.48Å; L731-G735 PolarHBondContact O-N 2.76Å; L732-G735 PolarHBondContact O-N 2.68Å; E733-G735 PolarHBondContact O-N 2.88Å; G735-K739 WeakPolarHBondContact O-CD 3.44Å; G735-K739 VanDerWaalsContact O-CG 3.29Å; G735-K739 WeakPolarHBondContact O-CG 3.45Å; G735-K739 PolarHBondContact O-N 3.44Å
736K94.6Very high93.6Very high76 Ų7637.8 Ų37.833%0.3319%0.189SC..Hα-helixtrans-66.6-49.5172.2-70.3165.8-175.6166.40110.7Y147 L732 E733 G738 K739 E740Y147-K736 HydrophobicContact CD1-CD 4.35Å; Y147-K736 HydrophobicContact CD2-CB 3.82Å; Y147-K736 HydrophobicContact CD2-CD 4.29Å; Y147-K736 HydrophobicContact CE1-CD 4.25Å; Y147-K736 HydrophobicContact CE2-CB 3.46Å; Y147-K736 VanDerWaalsContact CE2-CB 3.46Å; Y147-K736 HydrophobicContact CE2-CD 4.19Å; Y147-K736 HydrophobicContact CE2-CG 4.41Å; Y147-K736 HydrophobicContact CG-CD 4.38Å; L732-K736 WeakPolarHBondContact O-CG 3.47Å; L732-K736 PolarHBondContact O-N 2.92Å; E733-K736 WeakPolarHBondContact O-CB 3.27Å; E733-K736 PolarHBondContact O-N 2.69Å; K736-G738 VanDerWaalsContact C-N 3.31Å; K736-G738 PolarHBondContact O-N 3.19Å; K736-K739 PolarHBondContact O-N 3.12Å; K736-K739 VanDerWaalsContact O-N 3.11Å; K736-E740 PolarHBondContact O-N 3.48Å
737L93.5Very high93.6Very high4 Ų440 Ų402%0.02120%0.199CC..Hα-helixtrans-58.8-43.5177.9-63.3173.5000111.4F146 Y147 N150 R151 Y546 E733 K739 E740 L741F146-L737 HydrophobicContact CD1-CD1 4.02Å; F146-L737 HydrophobicContact CE1-CD1 3.7Å; Y147-L737 HydrophobicContact CD2-CD2 3.53Å; Y147-L737 HydrophobicContact CD2-CG 3.85Å; Y147-L737 HydrophobicContact CE2-CD2 3.95Å; Y147-L737 HydrophobicContact CE2-CG 4.45Å; N150-L737 VanDerWaalsContact C-CD2 3.46Å; N150-L737 HydrophobicContact CB-CD1 3.83Å; N150-L737 HydrophobicContact CB-CD2 3.9Å; R151-L737 HydrophobicContact CB-CD2 4.31Å; Y546-L737 HydrophobicContact CD1-CD1 4.44Å; Y546-L737 HydrophobicContact CD2-CB 3.39Å; Y546-L737 HydrophobicContact CD2-CD1 4.17Å; Y546-L737 HydrophobicContact CD2-CG 4.38Å; Y546-L737 HydrophobicContact CE1-CD1 3.95Å; Y546-L737 HydrophobicContact CE2-CB 3.65Å; Y546-L737 HydrophobicContact CE2-CD1 3.67Å; Y546-L737 HydrophobicContact CE2-CG 4.19Å; Y546-L737 HydrophobicContact CG-CB 3.9Å; E733-L737 WeakPolarHBondContact O-CG 3.38Å; E733-L737 PolarHBondContact O-N 3.28Å; L737-K739 PolarHBondContact O-N 3.05Å; L737-K739 VanDerWaalsContact O-N 3.15Å; L737-E740 PolarHBondContact O-N 3.02Å; L737-L741 PolarHBondContact O-N 2.76Å
738G92.8Very high93.4Very high1 Ų142.2 Ų42.21%0.0121%0.209CC..Hα-helixtrans-69.3-5.4178.300000116.4S542 L734 K736S542-G738 WeakPolarHBondContact O-CA 3.33Å; L734-G738 PolarHBondContact O-N 3.3Å; K736-G738 VanDerWaalsContact C-N 3.31Å; K736-G738 PolarHBondContact O-N 3.19Å
739K93.9Very high93.3Very high121 Ų12142.3 Ų42.353%0.52620%0.203SC..Hα-helixtrans-101-13.4170.2-70.3167.2-169.8164.50113.2D540 S542 G735 K736 L737D540-K739 WeakPolarHBondContact OD1-CE 3.35Å; D540-K739 IonicContact OD1-NZ 3.22Å; D540-K739 WeakPolarHBondContact OD2-CE 3.36Å; D540-K739 IonicContact OD2-NZ 3.68Å; D540-K739 PolarHBondContact OD2-NZ 2.94Å; S542-K739 VanDerWaalsContact OG-CE 3.27Å; S542-K739 WeakPolarHBondContact OG-CE 3.49Å; S542-K739 VanDerWaalsContact OG-CG 3.29Å; S542-K739 WeakPolarHBondContact OG-CG 3.47Å; G735-K739 WeakPolarHBondContact O-CD 3.44Å; G735-K739 VanDerWaalsContact O-CG 3.29Å; G735-K739 WeakPolarHBondContact O-CG 3.45Å; G735-K739 PolarHBondContact O-N 3.44Å; K736-K739 PolarHBondContact O-N 3.12Å; K736-K739 VanDerWaalsContact O-N 3.11Å; L737-K739 PolarHBondContact O-N 3.05Å; L737-K739 VanDerWaalsContact O-N 3.15Å
740E90.6Very high93.2Very high63 Ų6342.1 Ų42.129%0.29420%0.203SC..Hα-helixtrans-88.5-15173.6-65.7-168.5171.300112.6Y147 R151 A152 K736 L737Y147-E740 PolarHBondContact OH-OE1 3.16Å; R151-E740 WeakPolarHBondContact CA-OE2 3.38Å; R151-E740 WeakPolarHBondContact CB-OE2 3.38Å; A152-E740 HydrophobicContact CB-CB 4.21Å; A152-E740 PolarHBondContact N-OE2 2.75Å; K736-E740 PolarHBondContact O-N 3.48Å; L737-E740 PolarHBondContact O-N 3.02Å
741L84.5Confident93Very high125 Ų12545.7 Ų45.765%0.65422%0.22SC*.  trans-82.50170.4-63.6175.2000112.3Y546 H549 L737Y546-L741 HydrophobicContact CD2-CD1 3.92Å; H549-L741 HydrophobicContact CB-CD1 3.49Å; H549-L741 VanDerWaalsContact CB-CD1 3.49Å; L737-L741 PolarHBondContact O-N 2.76Å

Retrieved 741 of 741 residues in 558 ms (Link to these results)

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