A0A5K4F1A2_SCHMA Loading...

EKC/KEOPS complex subunit CGI121

AlphaFold DB , UniProt , Accession A0A5K4F1A2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 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
1M43.7Very low79.9Confident193 Ų19381 Ų8195%0.95141%0.406SS*.  0123.40-79.8164.9161.900106.5S3M1-S3 PolarHBondContact O-N 3.42Å
2N49.7Very low80.2Confident168 Ų16878.5 Ų78.590%0.89840%0.395SS*.  trans-75.274.6171.8-73.7-7.7000107.4V4N2-V4 WeakPolarHBondContact O-CG2 3.39Å; N2-V4 PolarHBondContact O-N 2.89Å
3S59.2Low79.9Confident55 Ų5584.9 Ų84.939%0.38543%0.431SS..  trans-65.5126179.777.30000108.2M1 W5 E143M1-S3 PolarHBondContact O-N 3.42Å; S3-W5 PolarHBondContact O-N 3.3Å; S3-E143 WeakPolarHBondContact CB-OE1 3.4Å
4V82.7Confident79.9Confident35 Ų3583 Ų8321%0.21243%0.426CS..  trans-93.830.7-172.2-1600000111.2N2 R6 M150 T152N2-V4 WeakPolarHBondContact O-CG2 3.39Å; N2-V4 PolarHBondContact O-N 2.89Å; V4-R6 PolarHBondContact O-N 3.07Å; V4-M150 HydrophobicContact CB-CG 4.47Å; V4-M150 HydrophobicContact CB-SD 3.85Å; V4-M150 HydrophobicContact CG2-SD 4.12Å; V4-M150 PolarHBondContact N-SD 3.15Å; V4-T152 HydrophobicContact CB-CG2 4.39Å; V4-T152 HydrophobicContact CG1-CG2 4.17Å; V4-T152 HydrophobicContact CG2-CG2 3.43Å; V4-T152 VanDerWaalsContact CG2-CG2 3.43Å
5W90.3Very high80.7Confident28 Ų2882.3 Ų82.311%0.10642%0.423CS..  trans-64.2137.8172-65.995.4000109.3S3 H19 F20 S21 V119 I121 L139 I142 E143 M150S3-W5 PolarHBondContact O-N 3.3Å; W5-H19 HydrophobicContact CE3-CB 4.44Å; W5-F20 WeakPolarHBondContact CA-O 3.38Å; W5-S21 WeakPolarHBondContact CH2-OG 3.27Å; W5-S21 WeakPolarHBondContact CZ2-OG 3.42Å; W5-S21 WeakPolarHBondContact CZ3-OG 3.31Å; W5-V119 HydrophobicContact CH2-CB 4.25Å; W5-V119 HydrophobicContact CH2-CG1 4.17Å; W5-V119 HydrophobicContact CZ3-CB 4.45Å; W5-V119 HydrophobicContact CZ3-CG1 4.5Å; W5-I121 HydrophobicContact CH2-CD1 4.04Å; W5-I121 HydrophobicContact CZ3-CD1 3.97Å; W5-L139 HydrophobicContact CD2-CD2 3.78Å; W5-L139 HydrophobicContact CE3-CD2 3.98Å; W5-L139 HydrophobicContact CG-CD1 4.23Å; W5-L139 HydrophobicContact CG-CD2 4.3Å; W5-L139 HydrophobicContact CH2-CD2 4.12Å; W5-L139 HydrophobicContact CZ2-CD2 3.93Å; W5-L139 HydrophobicContact CZ3-CD2 4.14Å; W5-I142 HydrophobicContact CH2-CG2 4.1Å; W5-I142 HydrophobicContact CZ2-CG2 4.33Å; W5-E143 HydrophobicContact CZ2-CG 4.11Å; W5-E143 PolarHBondContact NE1-OE1 3.11Å; W5-M150 HydrophobicContact CZ2-CE 4.14Å
6R91.2Very high81.5Confident79 Ų7977.7 Ų77.730%0.29840%0.399SS..EExtended strand (participates in β ladder)trans-116.7161.3175.7-63.5176-175.5-161.4-1108.9V4 H19 F20 T152 G153V4-R6 PolarHBondContact O-N 3.07Å; R6-H19 CarbonylContact O-C 3.55Å; R6-H19 VanDerWaalsContact O-CA 3.23Å; R6-H19 WeakPolarHBondContact O-CA 3.48Å; R6-H19 PolarHBondContact O-ND1 3.1Å; R6-F20 HydrophobicContact CB-CD1 4.28Å; R6-F20 HydrophobicContact CB-CD2 4.34Å; R6-F20 HydrophobicContact CB-CE1 3.66Å; R6-F20 HydrophobicContact CB-CE2 3.71Å; R6-F20 HydrophobicContact CB-CZ 3.37Å; R6-F20 HydrophobicContact CG-CE2 4.28Å; R6-F20 HydrophobicContact CG-CZ 4.26Å; R6-F20 PolarHBondContact N-O 3.35Å; R6-F20 PolarHBondContact O-N 2.89Å; R6-T152 PolarHBondContact NH2-O 3.23Å; R6-G153 PolarHBondContact NH2-O 3.32Å
7T92.3Very high82.3Confident43 Ų4374.7 Ų74.726%0.26438%0.381SS..EExtended strand (participates in β ladder)trans-131.7129.1-174.4-37.90000110Y9 R17 F18 H19T7-Y9 HydrophobicContact CG2-CE1 4.19Å; T7-Y9 HydrophobicContact CG2-CE2 4.24Å; T7-R17 HydrophobicContact CG2-CB 4.18Å; T7-R17 HydrophobicContact CG2-CG 4.45Å; T7-F18 VanDerWaalsContact CA-O 3.31Å; T7-F18 WeakPolarHBondContact CA-O 3.43Å; T7-H19 PolarHBondContact OG1-CE1 2.7Å; T7-H19 PolarHBondContact OG1-ND1 2.81Å
8I93.6Very high83Confident21 Ų2170.6 Ų70.611%0.10836%0.36CS..EExtended strand (participates in β ladder)trans-105.6142.5160.8-65.6157000108.3F10 R17 F18 F20 I60 E64I8-F10 HydrophobicContact CB-CE2 3.87Å; I8-F10 HydrophobicContact CB-CZ 4.16Å; I8-F10 HydrophobicContact CG2-CD2 4.15Å; I8-F10 HydrophobicContact CG2-CE1 4.14Å; I8-F10 HydrophobicContact CG2-CE2 3.48Å; I8-F10 VanDerWaalsContact CG2-CE2 3.48Å; I8-F10 HydrophobicContact CG2-CZ 3.49Å; I8-F10 VanDerWaalsContact CG2-CZ 3.49Å; I8-R17 WeakPolarHBondContact O-CA 3.31Å; I8-F18 HydrophobicContact CB-CB 4.45Å; I8-F18 HydrophobicContact CD1-CD1 4.22Å; I8-F18 PolarHBondContact N-O 3.04Å; I8-F18 PolarHBondContact O-N 3.46Å; I8-F20 HydrophobicContact CD1-CD1 4.41Å; I8-F20 HydrophobicContact CD1-CE1 3.77Å; I8-F20 HydrophobicContact CD1-CZ 4.46Å; I8-F20 HydrophobicContact CG1-CE1 3.91Å; I8-I60 HydrophobicContact CD1-CD1 3.76Å; I8-I60 HydrophobicContact CD1-CG1 3.64Å; I8-E64 HydrophobicContact CD1-CB 4.32Å; I8-E64 HydrophobicContact CG2-CG 4.18Å
9Y93.8Very high83.6Confident129 Ų12967.3 Ų67.351%0.50634%0.344SS..EExtended strand (participates in β ladder)trans-107127.7178.3-57.7-92.5000108.8T7 R17T7-Y9 HydrophobicContact CG2-CE1 4.19Å; T7-Y9 HydrophobicContact CG2-CE2 4.24Å; Y9-R17 HydrophobicContact CD1-CG 4.07Å; Y9-R17 HydrophobicContact CE1-CG 4.31Å
10F94.1Very high84.1Confident8 Ų864.4 Ų64.44%0.03533%0.328CS..EExtended strand (participates in β ladder)trans-111.1111.6176.7-62.9-90.3000108.5I8 L12 N15 F16 F18 E64 V67 T68 L71I8-F10 HydrophobicContact CB-CE2 3.87Å; I8-F10 HydrophobicContact CB-CZ 4.16Å; I8-F10 HydrophobicContact CG2-CD2 4.15Å; I8-F10 HydrophobicContact CG2-CE1 4.14Å; I8-F10 HydrophobicContact CG2-CE2 3.48Å; I8-F10 VanDerWaalsContact CG2-CE2 3.48Å; I8-F10 HydrophobicContact CG2-CZ 3.49Å; I8-F10 VanDerWaalsContact CG2-CZ 3.49Å; F10-L12 PolarHBondContact O-N 3.34Å; F10-N15 WeakPolarHBondContact O-CA 3.36Å; F10-F16 HydrophobicContact CB-CB 4.25Å; F10-F16 PolarHBondContact N-O 3.17Å; F10-F16 PolarHBondContact O-N 3.36Å; F10-F18 HydrophobicContact CD2-CB 4.3Å; F10-F18 HydrophobicContact CE2-CB 3.54Å; F10-F18 HydrophobicContact CE2-CG 4.44Å; F10-F18 HydrophobicContact CZ-CB 4.46Å; F10-E64 HydrophobicContact CE1-CG 3.79Å; F10-E64 HydrophobicContact CZ-CG 4.02Å; F10-V67 HydrophobicContact CD1-CG1 4.34Å; F10-V67 HydrophobicContact CD2-CG1 4.11Å; F10-V67 HydrophobicContact CE1-CB 4.03Å; F10-V67 HydrophobicContact CE1-CG1 3.83Å; F10-V67 HydrophobicContact CE2-CB 4.32Å; F10-V67 HydrophobicContact CE2-CG1 3.59Å; F10-V67 HydrophobicContact CG-CG1 4.47Å; F10-V67 HydrophobicContact CZ-CB 3.69Å; F10-V67 HydrophobicContact CZ-CG1 3.43Å; F10-V67 VanDerWaalsContact CZ-CG1 3.43Å; F10-T68 WeakPolarHBondContact CD1-OG1 3.19Å; F10-T68 VanDerWaalsContact CE1-OG1 3.27Å; F10-T68 WeakPolarHBondContact CE1-OG1 3.42Å; F10-L71 HydrophobicContact CB-CD1 3.86Å; F10-L71 HydrophobicContact CD1-CD1 4.26Å; F10-L71 HydrophobicContact CD2-CD1 4.25Å; F10-L71 HydrophobicContact CG-CD1 3.85Å
11N88.8Confident84.7Confident132 Ų13261.5 Ų61.571%0.70631%0.314SS*.EExtended strand (participates in β ladder)trans-96.676.4177.1-60.1-32.6000109N15N11-N15 WeakPolarHBondContact CA-OD1 3.5Å; N11-N15 PolarHBondContact OD1-OD1 3.41Å
12L82.9Confident87.1Confident51 Ų5152.9 Ų52.927%0.26727%0.271SS..SBendtrans-100.4-168.3169.4-61.1173.3000108.6F10 T14 L71 I72F10-L12 PolarHBondContact O-N 3.34Å; L12-T14 CarbonylContact C-O 3.59Å; L12-T14 CarbonylContact O-C 3.44Å; L12-T14 PolarHBondContact O-N 3.12Å; L12-T14 VanDerWaalsContact O-N 3.12Å; L12-L71 HydrophobicContact CD1-CB 3.39Å; L12-L71 HydrophobicContact CD1-CD1 4.04Å; L12-L71 HydrophobicContact CD1-CG 4.37Å; L12-I72 HydrophobicContact CD1-CG1 4.34Å; L12-I72 HydrophobicContact CD2-CG1 4.34Å
13D76.5Confident89.3Confident162 Ų16245.4 Ų45.487%0.86623%0.231SC*.SBendtrans-53.3-35.5178.3-70.2-22.8000112.8
14T80.3Confident91Very high58 Ų5843.5 Ų43.536%0.35622%0.217SC..SBendtrans-109.3133.5162.3-61.10000108.6L12 F16 P124L12-T14 CarbonylContact C-O 3.59Å; L12-T14 CarbonylContact O-C 3.44Å; L12-T14 PolarHBondContact O-N 3.12Å; L12-T14 VanDerWaalsContact O-N 3.12Å; T14-F16 HydrophobicContact CG2-CD2 4.3Å; T14-F16 HydrophobicContact CG2-CE2 3.74Å; T14-F16 HydrophobicContact CG2-CZ 3.95Å; T14-F16 WeakPolarHBondContact O-CD2 3.41Å; T14-F16 WeakPolarHBondContact O-CE2 3.3Å; T14-F16 PolarHBondContact O-N 2.81Å; T14-P124 HydrophobicContact CG2-CB 4.23Å
15N91.2Very high91.6Very high73 Ų7347.3 Ų47.339%0.3924%0.236SC..EExtended strand (participates in β ladder)trans-76.2125.1175.8-67.5-35.9000109.8F10 N11 P124 T125F10-N15 WeakPolarHBondContact O-CA 3.36Å; N11-N15 WeakPolarHBondContact CA-OD1 3.5Å; N11-N15 PolarHBondContact OD1-OD1 3.41Å; N15-P124 CarbonylContact O-C 3.39Å; N15-P124 WeakPolarHBondContact O-CA 3.48Å; N15-T125 HydrophobicContact CB-CG2 3.66Å; N15-T125 WeakPolarHBondContact CB-OG1 3.42Å; N15-T125 PolarHBondContact O-N 3.2Å; N15-T125 PolarHBondContact O-OG1 3.41Å
16F94.2Very high91.9Very high8 Ų846 Ų464%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-114.9155.3175.3-67.8-96.9000111.2F10 T14 L71 Y74 N75 I122 Y123 P124F10-F16 HydrophobicContact CB-CB 4.25Å; F10-F16 PolarHBondContact N-O 3.17Å; F10-F16 PolarHBondContact O-N 3.36Å; T14-F16 HydrophobicContact CG2-CD2 4.3Å; T14-F16 HydrophobicContact CG2-CE2 3.74Å; T14-F16 HydrophobicContact CG2-CZ 3.95Å; T14-F16 WeakPolarHBondContact O-CD2 3.41Å; T14-F16 WeakPolarHBondContact O-CE2 3.3Å; T14-F16 PolarHBondContact O-N 2.81Å; F16-L71 HydrophobicContact CB-CD1 3.85Å; F16-L71 HydrophobicContact CB-CD2 4.46Å; F16-L71 HydrophobicContact CD1-CD2 3.75Å; F16-L71 HydrophobicContact CD2-CD1 3.88Å; F16-L71 HydrophobicContact CD2-CD2 3.75Å; F16-L71 HydrophobicContact CD2-CG 4.36Å; F16-L71 HydrophobicContact CE1-CD2 3.8Å; F16-L71 HydrophobicContact CE2-CD2 3.83Å; F16-L71 HydrophobicContact CG-CD1 3.9Å; F16-L71 HydrophobicContact CG-CD2 3.73Å; F16-L71 HydrophobicContact CG-CG 4.48Å; F16-L71 HydrophobicContact CZ-CD2 3.86Å; F16-Y74 HydrophobicContact CZ-CD1 4.29Å; F16-Y74 HydrophobicContact CZ-CE1 4.27Å; F16-N75 WeakPolarHBondContact CE2-ND2 3.29Å; F16-I122 HydrophobicContact CB-CG2 4.46Å; F16-I122 HydrophobicContact CD1-CG2 3.94Å; F16-Y123 WeakPolarHBondContact CA-O 3.48Å; F16-P124 HydrophobicContact CD1-CG 4.08Å; F16-P124 HydrophobicContact CE1-CB 4.42Å; F16-P124 HydrophobicContact CE1-CG 3.66Å; F16-P124 HydrophobicContact CZ-CG 4.37Å
17R94.3Very high92.2Very high27 Ų2747.2 Ų47.210%0.10224%0.244CC..EExtended strand (participates in β ladder)trans-116.6142.5165.6-63.2-172.8179.5134.2-7.3109.8T7 I8 Y9 I122 Y123 T125 C128 Q129T7-R17 HydrophobicContact CG2-CB 4.18Å; T7-R17 HydrophobicContact CG2-CG 4.45Å; I8-R17 WeakPolarHBondContact O-CA 3.31Å; Y9-R17 HydrophobicContact CD1-CG 4.07Å; Y9-R17 HydrophobicContact CE1-CG 4.31Å; R17-I122 WeakPolarHBondContact O-CA 3.47Å; R17-Y123 HydrophobicContact CB-CE1 3.82Å; R17-Y123 HydrophobicContact CB-CE2 4.15Å; R17-Y123 WeakPolarHBondContact CD-OH 3.31Å; R17-Y123 PolarHBondContact N-O 3.37Å; R17-Y123 PolarHBondContact O-N 2.92Å; R17-Y123 VanDerWaalsContact O-N 3.14Å; R17-T125 HydrophobicContact CG-CG2 3.81Å; R17-C128 PolarHBondContact NH1-O 3.19Å; R17-Q129 VanDerWaalsContact NH1-OE1 3.12Å
18F95.4Very high92.5Very high0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-116104.5169.6-179.1-127.4000109.3T7 I8 F10 F20 V50 I63 V67 I121 I122T7-F18 VanDerWaalsContact CA-O 3.31Å; T7-F18 WeakPolarHBondContact CA-O 3.43Å; I8-F18 HydrophobicContact CB-CB 4.45Å; I8-F18 HydrophobicContact CD1-CD1 4.22Å; I8-F18 PolarHBondContact N-O 3.04Å; I8-F18 PolarHBondContact O-N 3.46Å; F10-F18 HydrophobicContact CD2-CB 4.3Å; F10-F18 HydrophobicContact CE2-CB 3.54Å; F10-F18 HydrophobicContact CE2-CG 4.44Å; F10-F18 HydrophobicContact CZ-CB 4.46Å; F18-F20 HydrophobicContact CD1-CB 4.2Å; F18-F20 AromaticContact CD1-CD1 3.62Å; F18-F20 HydrophobicContact CD1-CD1 3.62Å; F18-F20 HydrophobicContact CD1-CE1 4.43Å; F18-F20 HydrophobicContact CD1-CG 4.23Å; F18-F20 HydrophobicContact CE1-CB 3.72Å; F18-F20 AromaticContact CE1-CD1 3.78Å; F18-F20 HydrophobicContact CE1-CD1 3.78Å; F18-F20 AromaticContact CE1-CG 3.93Å; F18-F20 HydrophobicContact CE1-CG 3.93Å; F18-F20 HydrophobicContact CG-CD1 4.48Å; F18-F20 HydrophobicContact CZ-CB 4Å; F18-V50 HydrophobicContact CE2-CG1 4.07Å; F18-I63 HydrophobicContact CE1-CG2 3.54Å; F18-I63 HydrophobicContact CZ-CG2 3.79Å; F18-V67 HydrophobicContact CE1-CG2 4.48Å; F18-V67 HydrophobicContact CE2-CG2 4.36Å; F18-V67 HydrophobicContact CZ-CG2 4.34Å; F18-I121 CarbonylContact C-O 3.4Å; F18-I121 WeakPolarHBondContact CA-O 3.23Å; F18-I122 HydrophobicContact CB-CG1 4.34Å; F18-I122 HydrophobicContact CD2-CD1 3.89Å; F18-I122 HydrophobicContact CD2-CG1 3.26Å; F18-I122 HydrophobicContact CE2-CD1 4.04Å; F18-I122 HydrophobicContact CE2-CG1 3.8Å; F18-I122 HydrophobicContact CG-CG1 4.2Å
19H93.6Very high92.7Very high9 Ų944.8 Ų44.84%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-88.7126.1170.7-80.9-53.8000110.2W5 R6 T7 G120 I121 Y123 L135W5-H19 HydrophobicContact CE3-CB 4.44Å; R6-H19 CarbonylContact O-C 3.55Å; R6-H19 VanDerWaalsContact O-CA 3.23Å; R6-H19 WeakPolarHBondContact O-CA 3.48Å; R6-H19 PolarHBondContact O-ND1 3.1Å; T7-H19 PolarHBondContact OG1-CE1 2.7Å; T7-H19 PolarHBondContact OG1-ND1 2.81Å; H19-G120 CarbonylContact O-C 3.48Å; H19-G120 WeakPolarHBondContact O-CA 3.38Å; H19-I121 HydrophobicContact CB-CB 4.44Å; H19-I121 PolarHBondContact N-O 3.09Å; H19-I121 PolarHBondContact O-N 3.25Å; H19-Y123 AromaticContact CD2-CE1 3.35Å; H19-Y123 WeakPolarHBondContact CD2-CE1 3.31Å; H19-Y123 AromaticContact CD2-CZ 3.49Å; H19-Y123 VanDerWaalsContact CD2-CZ 3.49Å; H19-Y123 PolarHBondContact CD2-OH 3.08Å; H19-Y123 AromaticContact NE2-CZ 3.82Å; H19-Y123 PolarHBondContact NE2-OH 3.49Å; H19-L135 WeakPolarHBondContact NE2-CD2 2.94Å
20F95.3Very high92.8Very high9 Ų943.2 Ų43.24%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-139.6157.9-177.668.3-87.9000113.7W5 R6 I8 F18 I60 I118 V119 L155W5-F20 WeakPolarHBondContact CA-O 3.38Å; R6-F20 HydrophobicContact CB-CD1 4.28Å; R6-F20 HydrophobicContact CB-CD2 4.34Å; R6-F20 HydrophobicContact CB-CE1 3.66Å; R6-F20 HydrophobicContact CB-CE2 3.71Å; R6-F20 HydrophobicContact CB-CZ 3.37Å; R6-F20 HydrophobicContact CG-CE2 4.28Å; R6-F20 HydrophobicContact CG-CZ 4.26Å; R6-F20 PolarHBondContact N-O 3.35Å; R6-F20 PolarHBondContact O-N 2.89Å; I8-F20 HydrophobicContact CD1-CD1 4.41Å; I8-F20 HydrophobicContact CD1-CE1 3.77Å; I8-F20 HydrophobicContact CD1-CZ 4.46Å; I8-F20 HydrophobicContact CG1-CE1 3.91Å; F18-F20 HydrophobicContact CD1-CB 4.2Å; F18-F20 AromaticContact CD1-CD1 3.62Å; F18-F20 HydrophobicContact CD1-CD1 3.62Å; F18-F20 HydrophobicContact CD1-CE1 4.43Å; F18-F20 HydrophobicContact CD1-CG 4.23Å; F18-F20 HydrophobicContact CE1-CB 3.72Å; F18-F20 AromaticContact CE1-CD1 3.78Å; F18-F20 HydrophobicContact CE1-CD1 3.78Å; F18-F20 AromaticContact CE1-CG 3.93Å; F18-F20 HydrophobicContact CE1-CG 3.93Å; F18-F20 HydrophobicContact CG-CD1 4.48Å; F18-F20 HydrophobicContact CZ-CB 4Å; F20-I60 HydrophobicContact CD1-CD1 4.44Å; F20-I60 HydrophobicContact CD2-CD1 4.33Å; F20-I60 HydrophobicContact CE1-CD1 3.97Å; F20-I60 HydrophobicContact CE1-CG1 4.48Å; F20-I60 HydrophobicContact CE2-CD1 3.88Å; F20-I60 HydrophobicContact CZ-CD1 3.64Å; F20-I60 HydrophobicContact CZ-CG1 4Å; F20-I118 HydrophobicContact CB-CG2 4.35Å; F20-V119 CarbonylContact C-O 3.57Å; F20-V119 WeakPolarHBondContact CA-O 3.25Å; F20-V119 WeakPolarHBondContact CB-O 3.34Å; F20-L155 HydrophobicContact CD2-CD1 3.41Å; F20-L155 VanDerWaalsContact CD2-CD1 3.41Å; F20-L155 HydrophobicContact CE2-CD1 3.31Å; F20-L155 HydrophobicContact CE2-CG 4.2Å; F20-L155 HydrophobicContact CZ-CD1 4.41Å
21S95Very high93Very high3 Ų345.6 Ų45.62%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-144.8146.3174.452.40000110.8W5 W23 I118 V119W5-S21 WeakPolarHBondContact CH2-OG 3.27Å; W5-S21 WeakPolarHBondContact CZ2-OG 3.42Å; W5-S21 WeakPolarHBondContact CZ3-OG 3.31Å; S21-W23 PolarHBondContact OG-NE1 3.27Å; S21-I118 WeakPolarHBondContact O-CA 3.43Å; S21-V119 PolarHBondContact N-O 2.91Å; S21-V119 PolarHBondContact O-N 3.01Å
22L94.8Very high93.4Very high12 Ų1239.3 Ų39.36%0.06321%0.21CC..EExtended strand (participates in β ladder)trans-94.4136.5172.8177.864.6000109.4I118 M150 I151 L155L22-I118 HydrophobicContact CD1-CD1 4.47Å; L22-I118 HydrophobicContact CD1-CG1 3.7Å; L22-M150 CarbonylContact O-C 3.52Å; L22-M150 WeakPolarHBondContact O-CA 3.47Å; L22-I151 HydrophobicContact CB-CB 4.28Å; L22-I151 HydrophobicContact CD2-CB 3.94Å; L22-I151 HydrophobicContact CD2-CD1 3.64Å; L22-I151 HydrophobicContact CD2-CG1 4.38Å; L22-I151 HydrophobicContact CD2-CG2 4.01Å; L22-I151 HydrophobicContact CG-CB 4.11Å; L22-I151 HydrophobicContact CG-CD1 3.86Å; L22-I151 HydrophobicContact CG-CG1 4.46Å; L22-I151 PolarHBondContact O-N 3.5Å; L22-L155 HydrophobicContact CB-CD2 3.88Å; L22-L155 HydrophobicContact CB-CG 4.36Å; L22-L155 HydrophobicContact CD1-CD2 3.96Å; L22-L155 HydrophobicContact CD2-CD2 3.82Å; L22-L155 HydrophobicContact CG-CD2 4.07Å
23W95.3Very high94Very high11 Ų1139.6 Ų39.64%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-125.4140.5179.4-65.975.3000110.4S21 V26 E116 L117 E143 I146 T149 M150S21-W23 PolarHBondContact OG-NE1 3.27Å; W23-V26 HydrophobicContact CB-CG2 3.92Å; W23-E116 CarbonylContact O-C 3.46Å; W23-E116 WeakPolarHBondContact O-CA 3.29Å; W23-L117 HydrophobicContact CB-CD1 4.11Å; W23-L117 HydrophobicContact CB-CG 4.21Å; W23-L117 HydrophobicContact CG-CD1 4.26Å; W23-L117 PolarHBondContact N-O 2.75Å; W23-L117 PolarHBondContact O-N 2.89Å; W23-E143 HydrophobicContact CH2-CB 4.16Å; W23-E143 HydrophobicContact CH2-CG 4.15Å; W23-E143 HydrophobicContact CZ2-CB 4.45Å; W23-E143 HydrophobicContact CZ2-CG 4.04Å; W23-I146 HydrophobicContact CD2-CB 4.31Å; W23-I146 HydrophobicContact CD2-CD1 4.15Å; W23-I146 HydrophobicContact CD2-CG2 3.75Å; W23-I146 HydrophobicContact CE3-CB 3.96Å; W23-I146 HydrophobicContact CE3-CG2 3.39Å; W23-I146 HydrophobicContact CG-CG2 4.31Å; W23-I146 HydrophobicContact CH2-CB 4.04Å; W23-I146 HydrophobicContact CH2-CD1 4.37Å; W23-I146 HydrophobicContact CH2-CG2 4.4Å; W23-I146 HydrophobicContact CZ2-CB 4.38Å; W23-I146 HydrophobicContact CZ2-CD1 3.88Å; W23-I146 HydrophobicContact CZ3-CB 3.81Å; W23-I146 HydrophobicContact CZ3-CG2 3.75Å; W23-T149 WeakPolarHBondContact CA-O 3.43Å; W23-M150 HydrophobicContact CD2-CB 4.3Å; W23-M150 HydrophobicContact CE3-CB 4.35Å; W23-M150 HydrophobicContact CH2-CB 4.35Å; W23-M150 HydrophobicContact CH2-CE 4.03Å; W23-M150 HydrophobicContact CZ2-CB 4.29Å; W23-M150 HydrophobicContact CZ2-CE 3.35Å; W23-M150 HydrophobicContact CZ3-CB 4.38Å
24C94.5Very high94.9Very high16 Ų1635.4 Ų35.411%0.10819%0.19CC..EExtended strand (participates in β ladder)trans-126.6171169.966.90000111.8V26 K115 E116 G148 T149 I151C24-V26 PolarHBondContact O-N 2.95Å; C24-V26 VanDerWaalsContact O-N 3.14Å; C24-K115 CarbonylContact C-O 3.53Å; C24-K115 WeakPolarHBondContact CA-O 3.37Å; C24-E116 HydrophobicContact CB-CG 3.98Å; C24-G148 WeakPolarHBondContact O-CA 3.48Å; C24-T149 PolarHBondContact N-O 2.92Å; C24-T149 PolarHBondContact O-N 2.98Å; C24-I151 HydrophobicContact CB-CD1 3.49Å; C24-I151 VanDerWaalsContact CB-CD1 3.49Å; C24-I151 HydrophobicContact CB-CG1 4.15Å; C24-I151 VanDerWaalsContact SG-CD1 3.56Å; C24-I151 VanDerWaalsContact SG-CG1 3.59Å
25N96Very high95.6Very high114 Ų11435.5 Ų35.561%0.6119%0.186SC*.SBendtrans53.731.6-178.5-56.6-44.7000112.9N27 K115N25-N27 PolarHBondContact O-N 3.25Å; N25-K115 PolarHBondContact N-O 3.32Å
26V97.3Very high95.7Very high0 Ų035.2 Ų35.20%018%0.183CC..  trans-65.5122.2179.1-179.60000108.8W23 C24 A29 K115 L117 I146 Q147W23-V26 HydrophobicContact CB-CG2 3.92Å; C24-V26 PolarHBondContact O-N 2.95Å; C24-V26 VanDerWaalsContact O-N 3.14Å; V26-A29 HydrophobicContact CG1-CB 4.11Å; V26-K115 PolarHBondContact N-O 3.5Å; V26-K115 WeakPolarHBondContact O-CD 3.29Å; V26-K115 PolarHBondContact O-NZ 3.49Å; V26-L117 HydrophobicContact CB-CD2 4.41Å; V26-L117 HydrophobicContact CG1-CD2 4.09Å; V26-L117 HydrophobicContact CG2-CD2 3.94Å; V26-L117 HydrophobicContact CG2-CG 4.11Å; V26-I146 HydrophobicContact CG1-CG2 4.41Å; V26-I146 HydrophobicContact CG2-CG2 4.21Å; V26-Q147 WeakPolarHBondContact CA-O 3.49Å
27N97.4Very high95.5Very high106 Ų10641.5 Ų41.557%0.56721%0.213SC*.  trans-113.2-5.7-175.570.517.8000113.7N25 Q147N25-N27 PolarHBondContact O-N 3.25Å; N27-Q147 PolarHBondContact N-O 3.04Å; N27-Q147 WeakPolarHBondContact OD1-CB 3.49Å; N27-Q147 PolarHBondContact OD1-O 3.43Å; N27-Q147 PolarHBondContact OD1-OE1 3.29Å
28N97.8Very high95.5Very high10 Ų1042.8 Ų42.85%0.05323%0.225CC..  trans-120.628.4179.676.4-40.1000113.8D30 D31 I32 T145 Q147N28-D30 VanDerWaalsContact C-N 3.28Å; N28-D30 PolarHBondContact O-N 3Å; N28-D31 HydrophobicContact CB-CB 4.29Å; N28-D31 PolarHBondContact O-N 3.12Å; N28-D31 VanDerWaalsContact O-N 3.08Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 2.87Å; N28-T145 PolarHBondContact ND2-O 3.06Å; N28-Q147 HydrophobicContact CB-CB 4.01Å; N28-Q147 HydrophobicContact CB-CG 4.11Å; N28-Q147 WeakPolarHBondContact OD1-CB 3.37Å; N28-Q147 PolarHBondContact OD1-N 3.43Å
29A97.7Very high95.4Very high2 Ų252.1 Ų52.12%0.01727%0.266CS..Hα-helixtrans-58.1-37.7-18000000113.4V26 I32 Q33 L110 K111 T114V26-A29 HydrophobicContact CG1-CB 4.11Å; A29-I32 PolarHBondContact O-N 2.86Å; A29-Q33 VanDerWaalsContact O-CB 3.31Å; A29-Q33 WeakPolarHBondContact O-CB 3.34Å; A29-Q33 PolarHBondContact O-N 3.02Å; A29-L110 HydrophobicContact CB-CD1 3.97Å; A29-K111 WeakPolarHBondContact CB-O 3.49Å; A29-T114 WeakPolarHBondContact CB-O 3.44Å
30D97.1Very high95.4Very high97 Ų9758.5 Ų58.552%0.51930%0.296SS..Hα-helixtrans-51.4-56.3168158.4-5.3000111.9N28 I32 Q33 T34 A112N28-D30 VanDerWaalsContact C-N 3.28Å; N28-D30 PolarHBondContact O-N 3Å; D30-I32 VanDerWaalsContact C-N 3.31Å; D30-I32 PolarHBondContact O-N 2.82Å; D30-Q33 CarbonylContact O-C 3.59Å; D30-Q33 WeakPolarHBondContact O-CB 3.42Å; D30-Q33 PolarHBondContact O-N 3.22Å; D30-Q33 VanDerWaalsContact O-N 3.1Å; D30-T34 PolarHBondContact O-N 3.05Å; D30-T34 PolarHBondContact O-OG1 2.99Å; D30-A112 HydrophobicContact CB-CB 4.1Å
31D97.3Very high95.4Very high58 Ų5858.6 Ų58.631%0.3130%0.297SS..Hα-helixtrans-61.8-41.5-176.9168.668.6000111.1N28 T34 K35N28-D31 HydrophobicContact CB-CB 4.29Å; N28-D31 PolarHBondContact O-N 3.12Å; N28-D31 VanDerWaalsContact O-N 3.08Å; D31-T34 PolarHBondContact O-N 2.95Å; D31-K35 WeakPolarHBondContact O-CB 3.4Å; D31-K35 VanDerWaalsContact O-CG 3.31Å; D31-K35 WeakPolarHBondContact O-CG 3.33Å; D31-K35 PolarHBondContact O-N 3.32Å; D31-K35 VanDerWaalsContact OD1-CE 3.29Å; D31-K35 WeakPolarHBondContact OD1-CE 3.38Å; D31-K35 IonicContact OD1-NZ 3.49Å; D31-K35 PolarHBondContact OD1-NZ 3.48Å; D31-K35 VanDerWaalsContact OD2-CE 3.3Å; D31-K35 WeakPolarHBondContact OD2-CE 3.46Å; D31-K35 IonicContact OD2-NZ 2.7Å; D31-K35 PolarHBondContact OD2-NZ 2.89Å
32I97.2Very high95.3Very high0 Ų059.8 Ų59.80%030%0.304CS..Hα-helixtrans-60.8-47.9174.1-63.6166.2000110.2N28 A29 D30 T34 K35 I36 F41 F51 L110 I146N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 2.87Å; A29-I32 PolarHBondContact O-N 2.86Å; D30-I32 VanDerWaalsContact C-N 3.31Å; D30-I32 PolarHBondContact O-N 2.82Å; I32-T34 VanDerWaalsContact C-N 3.33Å; I32-T34 PolarHBondContact O-N 3.24Å; I32-K35 PolarHBondContact O-N 3.21Å; I32-I36 HydrophobicContact CG2-CD1 3.88Å; I32-I36 HydrophobicContact CG2-CG1 4.5Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.27Å; I32-I36 PolarHBondContact O-N 3.42Å; I32-F41 HydrophobicContact CG2-CD2 4.11Å; I32-F41 HydrophobicContact CG2-CE2 3.86Å; I32-F51 HydrophobicContact CG2-CD1 4.29Å; I32-F51 HydrophobicContact CG2-CE1 3.89Å; I32-F51 HydrophobicContact CG2-CE2 4.41Å; I32-F51 HydrophobicContact CG2-CZ 3.98Å; I32-L110 HydrophobicContact CB-CD2 3.83Å; I32-L110 HydrophobicContact CG2-CD2 3.43Å; I32-L110 VanDerWaalsContact CG2-CD2 3.43Å; I32-I146 HydrophobicContact CD1-CB 4.44Å; I32-I146 HydrophobicContact CD1-CG1 3.99Å; I32-I146 HydrophobicContact CD1-CG2 4.38Å
33Q94.9Very high95.2Very high56 Ų5664.9 Ų64.926%0.26234%0.336SS..Hα-helixtrans-58.9-45.7178.2-172.5-179.747.400110.7A29 D30 K35 I36 H37 L110A29-Q33 VanDerWaalsContact O-CB 3.31Å; A29-Q33 WeakPolarHBondContact O-CB 3.34Å; A29-Q33 PolarHBondContact O-N 3.02Å; D30-Q33 CarbonylContact O-C 3.59Å; D30-Q33 WeakPolarHBondContact O-CB 3.42Å; D30-Q33 PolarHBondContact O-N 3.22Å; D30-Q33 VanDerWaalsContact O-N 3.1Å; Q33-K35 PolarHBondContact O-N 3.01Å; Q33-I36 PolarHBondContact O-N 3.14Å; Q33-H37 VanDerWaalsContact CG-CE1 3.48Å; Q33-H37 WeakPolarHBondContact CG-CE1 3.19Å; Q33-H37 PolarHBondContact O-N 3.34Å; Q33-H37 PolarHBondContact O-ND1 3Å; Q33-L110 HydrophobicContact CB-CD2 4.13Å; Q33-L110 PolarHBondContact NE2-O 2.73Å
34T95.8Very high95Very high75 Ų7565.7 Ų65.746%0.4634%0.341SS..Hα-helixtrans-60.2-45.7176.5-64.40000111.7D30 D31 I32 I36 H37 S38D30-T34 PolarHBondContact O-N 3.05Å; D30-T34 PolarHBondContact O-OG1 2.99Å; D31-T34 PolarHBondContact O-N 2.95Å; I32-T34 VanDerWaalsContact C-N 3.33Å; I32-T34 PolarHBondContact O-N 3.24Å; T34-I36 VanDerWaalsContact C-N 3.33Å; T34-I36 PolarHBondContact O-N 3.48Å; T34-H37 PolarHBondContact O-N 3.01Å; T34-S38 WeakPolarHBondContact O-CB 3.5Å; T34-S38 PolarHBondContact O-N 2.77Å; T34-S38 PolarHBondContact O-OG 3.15Å; T34-S38 VanDerWaalsContact O-OG 3.07Å
35K95.9Very high94.8Very high59 Ų5970.1 Ų70.126%0.25737%0.368SS..Hα-helixtrans-61.2-37.3176.2-76.7169.4176.7165.30112.9D31 I32 Q33 S38 K39 Q40 F41 T145D31-K35 WeakPolarHBondContact O-CB 3.4Å; D31-K35 VanDerWaalsContact O-CG 3.31Å; D31-K35 WeakPolarHBondContact O-CG 3.33Å; D31-K35 PolarHBondContact O-N 3.32Å; D31-K35 VanDerWaalsContact OD1-CE 3.29Å; D31-K35 WeakPolarHBondContact OD1-CE 3.38Å; D31-K35 IonicContact OD1-NZ 3.49Å; D31-K35 PolarHBondContact OD1-NZ 3.48Å; D31-K35 VanDerWaalsContact OD2-CE 3.3Å; D31-K35 WeakPolarHBondContact OD2-CE 3.46Å; D31-K35 IonicContact OD2-NZ 2.7Å; D31-K35 PolarHBondContact OD2-NZ 2.89Å; I32-K35 PolarHBondContact O-N 3.21Å; Q33-K35 PolarHBondContact O-N 3.01Å; K35-S38 WeakPolarHBondContact CA-OG 3.35Å; K35-S38 PolarHBondContact O-OG 3.17Å; K35-K39 PolarHBondContact O-N 3.41Å; K35-Q40 PolarHBondContact O-N 2.89Å; K35-F41 HydrophobicContact CB-CB 4.19Å; K35-F41 HydrophobicContact CB-CD2 4.25Å; K35-F41 PolarHBondContact O-N 3.39Å; K35-T145 HydrophobicContact CD-CG2 4.49Å
36I92.9Very high94.4Very high67 Ų6770.4 Ų70.434%0.34437%0.369SS..Hα-helixtrans-65.9-49.6176-68.2164.7000110I32 Q33 T34 S38 K39 F41 F51 L110I32-I36 HydrophobicContact CG2-CD1 3.88Å; I32-I36 HydrophobicContact CG2-CG1 4.5Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.27Å; I32-I36 PolarHBondContact O-N 3.42Å; Q33-I36 PolarHBondContact O-N 3.14Å; T34-I36 VanDerWaalsContact C-N 3.33Å; T34-I36 PolarHBondContact O-N 3.48Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-S38 PolarHBondContact O-N 3.22Å; I36-K39 PolarHBondContact O-N 3.43Å; I36-K39 VanDerWaalsContact O-N 3.12Å; I36-F41 HydrophobicContact CG1-CB 3.92Å; I36-F41 HydrophobicContact CG1-CD2 4.12Å; I36-F41 HydrophobicContact CG1-CG 3.97Å; I36-F51 HydrophobicContact CD1-CD2 3.54Å; I36-F51 HydrophobicContact CD1-CE2 3.71Å; I36-F51 HydrophobicContact CD1-CG 4.28Å; I36-F51 HydrophobicContact CG1-CE2 4.46Å; I36-L110 HydrophobicContact CD1-CD2 4.25Å
37H90.5Very high94.2Very high141 Ų14171.1 Ų71.165%0.65338%0.375SS*.Hα-helixtrans-64-36.9-180-71.791.6000112.7Q33 T34 K39Q33-H37 VanDerWaalsContact CG-CE1 3.48Å; Q33-H37 WeakPolarHBondContact CG-CE1 3.19Å; Q33-H37 PolarHBondContact O-N 3.34Å; Q33-H37 PolarHBondContact O-ND1 3Å; T34-H37 PolarHBondContact O-N 3.01Å; H37-K39 PolarHBondContact O-N 3.37Å
38S94.5Very high94.1Very high53 Ų5368.1 Ų68.137%0.37136%0.36SS..THydrogen-bonded Turntrans-810.7177.371.20000113.9T34 K35 I36 Q40T34-S38 WeakPolarHBondContact O-CB 3.5Å; T34-S38 PolarHBondContact O-N 2.77Å; T34-S38 PolarHBondContact O-OG 3.15Å; T34-S38 VanDerWaalsContact O-OG 3.07Å; K35-S38 WeakPolarHBondContact CA-OG 3.35Å; K35-S38 PolarHBondContact O-OG 3.17Å; I36-S38 VanDerWaalsContact C-N 3.33Å; I36-S38 PolarHBondContact O-N 3.22Å; S38-Q40 PolarHBondContact O-N 3.35Å; S38-Q40 WeakPolarHBondContact OG-CB 3.36Å; S38-Q40 VanDerWaalsContact OG-CD 3.26Å; S38-Q40 WeakPolarHBondContact OG-CG 3.36Å; S38-Q40 PolarHBondContact OG-OE1 3.17Å
39K92.2Very high94Very high196 Ų19669 Ų6985%0.85237%0.366SS*.THydrogen-bonded Turntrans5733.3-175.3-54.7-179.7179.4-179.10113.5K35 I36 H37K35-K39 PolarHBondContact O-N 3.41Å; I36-K39 PolarHBondContact O-N 3.43Å; I36-K39 VanDerWaalsContact O-N 3.12Å; H37-K39 PolarHBondContact O-N 3.37Å
40Q94.9Very high94Very high143 Ų14369 Ų6967%0.66837%0.366SS*.  trans-106.1-5.5177.4-67172.3-4.500112.9K35 S38K35-Q40 PolarHBondContact O-N 2.89Å; S38-Q40 PolarHBondContact O-N 3.35Å; S38-Q40 WeakPolarHBondContact OG-CB 3.36Å; S38-Q40 VanDerWaalsContact OG-CD 3.26Å; S38-Q40 WeakPolarHBondContact OG-CG 3.36Å; S38-Q40 PolarHBondContact OG-OE1 3.17Å
41F94.2Very high94.1Very high12 Ų1264.9 Ų64.95%0.05334%0.343CS..SBendtrans-65139.7173.1-164-90.6000110.2I32 K35 I36 T43 V49 F51 I142 T145I32-F41 HydrophobicContact CG2-CD2 4.11Å; I32-F41 HydrophobicContact CG2-CE2 3.86Å; K35-F41 HydrophobicContact CB-CB 4.19Å; K35-F41 HydrophobicContact CB-CD2 4.25Å; K35-F41 PolarHBondContact O-N 3.39Å; I36-F41 HydrophobicContact CG1-CB 3.92Å; I36-F41 HydrophobicContact CG1-CD2 4.12Å; I36-F41 HydrophobicContact CG1-CG 3.97Å; F41-T43 PolarHBondContact O-N 3.33Å; F41-V49 HydrophobicContact CD1-CG1 4.02Å; F41-V49 HydrophobicContact CE1-CG1 4.13Å; F41-V49 HydrophobicContact CE1-CG2 4.31Å; F41-F51 HydrophobicContact CD1-CE2 4.34Å; F41-F51 AromaticContact CE1-CE2 3.93Å; F41-F51 HydrophobicContact CE1-CE2 3.93Å; F41-F51 AromaticContact CE1-CZ 3.78Å; F41-F51 HydrophobicContact CE1-CZ 3.78Å; F41-F51 HydrophobicContact CE2-CE2 4.26Å; F41-F51 AromaticContact CE2-CZ 3.72Å; F41-F51 HydrophobicContact CE2-CZ 3.72Å; F41-F51 HydrophobicContact CZ-CE1 4.4Å; F41-F51 AromaticContact CZ-CE2 3.94Å; F41-F51 HydrophobicContact CZ-CE2 3.94Å; F41-F51 AromaticContact CZ-CZ 3.35Å; F41-F51 HydrophobicContact CZ-CZ 3.35Å; F41-I142 HydrophobicContact CE1-CG1 4.21Å; F41-I142 HydrophobicContact CZ-CG1 4.37Å; F41-T145 HydrophobicContact CD2-CG2 4.28Å; F41-T145 HydrophobicContact CE2-CG2 3.58Å; F41-T145 HydrophobicContact CZ-CG2 4.24Å
42P92.8Very high94.1Very high27 Ų2762.1 Ų62.118%0.17533%0.329CS..  trans-51.2136.4177.9-28.134.6000112.7Y138P42-Y138 HydrophobicContact CB-CE2 4.04Å; P42-Y138 PolarHBondContact O-OH 2.79Å
43T92.2Very high94Very high119 Ų11962.3 Ų62.373%0.7333%0.33SS*.  trans-128.8148.617859.30000111F41F41-T43 PolarHBondContact O-N 3.33Å
44L91.9Very high94Very high28 Ų2860 Ų6015%0.14732%0.32CS..  trans-118.3133.6169.8174.466.6000108.9N46 A47 V134 Y138L44-N46 PolarHBondContact O-N 3.46Å; L44-A47 HydrophobicContact CB-CB 3.93Å; L44-A47 HydrophobicContact CD2-CB 4.01Å; L44-A47 HydrophobicContact CG-CB 4.04Å; L44-A47 PolarHBondContact O-N 2.95Å; L44-V134 HydrophobicContact CD1-CG1 3.6Å; L44-Y138 HydrophobicContact CB-CD1 3.69Å; L44-Y138 HydrophobicContact CB-CD2 3.91Å; L44-Y138 HydrophobicContact CB-CE1 3.69Å; L44-Y138 HydrophobicContact CB-CE2 3.93Å; L44-Y138 HydrophobicContact CB-CG 3.78Å; L44-Y138 HydrophobicContact CD2-CD1 3.76Å; L44-Y138 HydrophobicContact CD2-CE1 4.36Å; L44-Y138 HydrophobicContact CD2-CG 4.12Å; L44-Y138 HydrophobicContact CG-CD1 4.36Å; L44-Y138 HydrophobicContact CG-CG 4.48Å
45T89.5Confident93.9Very high110 Ų11059.1 Ų59.168%0.67531%0.312SS*.THydrogen-bonded Turntrans-55.1132.1-179.9-55.20000110.6A47T45-A47 PolarHBondContact O-N 3.46Å
46N89.1Confident93.9Very high119 Ų11957.3 Ų57.364%0.63630%0.304SS*.THydrogen-bonded Turntrans60.716.8-176.9-55.5-26.9000115.3L44 P124 V127L44-N46 PolarHBondContact O-N 3.46Å; N46-P124 VanDerWaalsContact O-CD 3.28Å; N46-P124 WeakPolarHBondContact O-CD 3.23Å; N46-V127 HydrophobicContact CB-CG1 4.18Å; N46-V127 HydrophobicContact CB-CG2 3.57Å
47A92.9Very high94Very high15 Ų1554.3 Ų54.312%0.12429%0.289CS..  trans-118.1147.6170.400000110.7L44 T45 I121 I122L44-A47 HydrophobicContact CB-CB 3.93Å; L44-A47 HydrophobicContact CD2-CB 4.01Å; L44-A47 HydrophobicContact CG-CB 4.04Å; L44-A47 PolarHBondContact O-N 2.95Å; T45-A47 PolarHBondContact O-N 3.46Å; A47-I121 HydrophobicContact CB-CG2 4.27Å; A47-I122 CarbonylContact C-O 3.52Å; A47-I122 VanDerWaalsContact CA-O 3.32Å; A47-I122 WeakPolarHBondContact CA-O 3.49Å
48V94.7Very high94.3Very high43 Ų4347.6 Ų47.626%0.26126%0.258SS..EExtended strand (participates in β ladder)trans-120.9121.9-178.9176.30000108.4L87 A88 I121 I122V48-L87 HydrophobicContact CG1-CB 4.29Å; V48-L87 HydrophobicContact CG2-CB 4.27Å; V48-L87 HydrophobicContact CG2-CD2 4.38Å; V48-A88 HydrophobicContact CG1-CB 3.58Å; V48-I121 CarbonylContact O-C 3.54Å; V48-I121 WeakPolarHBondContact O-CA 3.35Å; V48-I122 PolarHBondContact N-O 3.4Å; V48-I122 PolarHBondContact O-N 2.91Å
49V96.7Very high94.3Very high29 Ų2945.6 Ų45.618%0.17624%0.243CC..EExtended strand (participates in β ladder)trans-91.7136170.965.70000109.9F41 F51 A88 V119 G120 I121 I142F41-V49 HydrophobicContact CD1-CG1 4.02Å; F41-V49 HydrophobicContact CE1-CG1 4.13Å; F41-V49 HydrophobicContact CE1-CG2 4.31Å; V49-F51 HydrophobicContact CG1-CE2 4.23Å; V49-F51 HydrophobicContact CG2-CD2 4.28Å; V49-F51 HydrophobicContact CG2-CE2 3.6Å; V49-F51 HydrophobicContact CG2-CZ 4.03Å; V49-A88 WeakPolarHBondContact O-CB 2.99Å; V49-V119 HydrophobicContact CG2-CG1 3.92Å; V49-G120 CarbonylContact C-O 3.58Å; V49-G120 WeakPolarHBondContact CA-O 3.5Å; V49-I121 HydrophobicContact CG2-CG1 4.38Å; V49-I142 HydrophobicContact CG2-CD1 4.34Å
50V97.7Very high94.5Very high2 Ų237.4 Ų37.41%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-128.413617563.40000109.5F18 I52 A88 I91 L92 G120F18-V50 HydrophobicContact CE2-CG1 4.07Å; V50-I52 HydrophobicContact CG1-CD1 4.28Å; V50-I52 HydrophobicContact CG1-CG1 4.36Å; V50-I52 HydrophobicContact CG2-CG1 3.94Å; V50-A88 HydrophobicContact CB-CB 4.18Å; V50-A88 HydrophobicContact CG2-CB 4.35Å; V50-I91 HydrophobicContact CG1-CD1 4.42Å; V50-L92 HydrophobicContact CG2-CD2 3.97Å; V50-L92 HydrophobicContact CG2-CG 4.06Å; V50-G120 PolarHBondContact N-O 3.15Å; V50-G120 PolarHBondContact O-N 2.91Å
51F97.6Very high94.6Very high11 Ų1133.3 Ų33.35%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-110.1114.4174.9-69.1-95.2000108.3I32 I36 F41 V49 L110 L117 V119 I146I32-F51 HydrophobicContact CG2-CD1 4.29Å; I32-F51 HydrophobicContact CG2-CE1 3.89Å; I32-F51 HydrophobicContact CG2-CE2 4.41Å; I32-F51 HydrophobicContact CG2-CZ 3.98Å; I36-F51 HydrophobicContact CD1-CD2 3.54Å; I36-F51 HydrophobicContact CD1-CE2 3.71Å; I36-F51 HydrophobicContact CD1-CG 4.28Å; I36-F51 HydrophobicContact CG1-CE2 4.46Å; F41-F51 HydrophobicContact CD1-CE2 4.34Å; F41-F51 AromaticContact CE1-CE2 3.93Å; F41-F51 HydrophobicContact CE1-CE2 3.93Å; F41-F51 AromaticContact CE1-CZ 3.78Å; F41-F51 HydrophobicContact CE1-CZ 3.78Å; F41-F51 HydrophobicContact CE2-CE2 4.26Å; F41-F51 AromaticContact CE2-CZ 3.72Å; F41-F51 HydrophobicContact CE2-CZ 3.72Å; F41-F51 HydrophobicContact CZ-CE1 4.4Å; F41-F51 AromaticContact CZ-CE2 3.94Å; F41-F51 HydrophobicContact CZ-CE2 3.94Å; F41-F51 AromaticContact CZ-CZ 3.35Å; F41-F51 HydrophobicContact CZ-CZ 3.35Å; V49-F51 HydrophobicContact CG1-CE2 4.23Å; V49-F51 HydrophobicContact CG2-CD2 4.28Å; V49-F51 HydrophobicContact CG2-CE2 3.6Å; V49-F51 HydrophobicContact CG2-CZ 4.03Å; F51-L110 HydrophobicContact CB-CB 3.85Å; F51-L110 HydrophobicContact CB-CD2 4.49Å; F51-L110 HydrophobicContact CD1-CD2 4.43Å; F51-L110 HydrophobicContact CG-CD2 4.42Å; F51-L117 HydrophobicContact CD1-CD1 4.12Å; F51-L117 HydrophobicContact CD1-CD2 4.42Å; F51-V119 HydrophobicContact CD1-CG2 3.93Å; F51-V119 HydrophobicContact CE1-CG1 4.14Å; F51-V119 HydrophobicContact CE1-CG2 3.71Å; F51-V119 HydrophobicContact CZ-CG1 4.25Å; F51-I146 HydrophobicContact CE1-CD1 4.31Å
52I97.8Very high94.7Very high0 Ų032.7 Ų32.70%019%0.19CC..EExtended strand (participates in β ladder)trans-109.4127.6-175.6-55.1171.6000108.1V50 S54 I57 I63 I91 L92 L95 F108 L117 I118V50-I52 HydrophobicContact CG1-CD1 4.28Å; V50-I52 HydrophobicContact CG1-CG1 4.36Å; V50-I52 HydrophobicContact CG2-CG1 3.94Å; I52-S54 PolarHBondContact O-N 3.42Å; I52-I57 HydrophobicContact CG2-CD1 3.91Å; I52-I57 HydrophobicContact CG2-CG1 3.87Å; I52-I63 HydrophobicContact CD1-CD1 4.19Å; I52-I63 HydrophobicContact CD1-CG1 4.34Å; I52-I63 HydrophobicContact CD1-CG2 4.02Å; I52-I91 HydrophobicContact CD1-CG2 4.48Å; I52-L92 HydrophobicContact CG1-CD2 4Å; I52-L95 HydrophobicContact CD1-CD1 4.47Å; I52-L95 HydrophobicContact CG2-CD1 3.83Å; I52-F108 CarbonylContact C-O 3.53Å; I52-F108 WeakPolarHBondContact CA-O 3.48Å; I52-L117 CarbonylContact O-C 3.59Å; I52-L117 WeakPolarHBondContact O-CA 3.37Å; I52-I118 HydrophobicContact CB-CB 4.25Å; I52-I118 PolarHBondContact N-O 3.1Å; I52-I118 PolarHBondContact O-N 2.9Å
53N95.9Very high94.9Very high4 Ų431.4 Ų31.42%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-67114.2171.6-176.14.8000109.8D55 F56 T107 F108 G109N53-D55 PolarHBondContact O-N 2.93Å; N53-D55 WeakPolarHBondContact OD1-CB 3.47Å; N53-D55 PolarHBondContact OD1-N 2.75Å; N53-F56 WeakPolarHBondContact ND2-CD2 3.35Å; N53-F56 WeakPolarHBondContact ND2-CE2 3.08Å; N53-F56 PolarHBondContact O-N 3.23Å; N53-T107 PolarHBondContact ND2-O 3.05Å; N53-F108 PolarHBondContact N-O 2.99Å; N53-G109 WeakPolarHBondContact CB-O 3.12Å
54S95.1Very high95.2Very high8 Ų829.2 Ų29.26%0.05616%0.163CC..G310 helixtrans-72.4-13.9-176.662.10000113.2I52 F56 I57 E116 L117I52-S54 PolarHBondContact O-N 3.42Å; S54-F56 PolarHBondContact O-N 3.01Å; S54-F56 VanDerWaalsContact O-N 3.1Å; S54-I57 PolarHBondContact O-N 3.36Å; S54-I57 VanDerWaalsContact O-N 3.15Å; S54-E116 WeakPolarHBondContact OG-CB 3.38Å; S54-E116 PolarHBondContact OG-O 3.5Å; S54-L117 PolarHBondContact OG-N 3.14Å
55D93.7Very high95.4Very high56 Ų5629.1 Ų29.130%0.29917%0.167SC..G310 helixtrans-61.6-18.3178-73.6-23.8000113.3N53 N161 I165N53-D55 PolarHBondContact O-N 2.93Å; N53-D55 WeakPolarHBondContact OD1-CB 3.47Å; N53-D55 PolarHBondContact OD1-N 2.75Å; D55-N161 WeakPolarHBondContact CB-ND2 3.14Å; D55-N161 VanDerWaalsContact CG-ND2 3.32Å; D55-N161 PolarHBondContact OD1-ND2 3.21Å; D55-I165 WeakPolarHBondContact O-CD1 3.48Å
56F95.1Very high95.8Very high21 Ų2123.9 Ų23.99%0.09214%0.135CC..G310 helixtrans-111.510.8-179.6-64.8-87.2000113.9N53 S54 Q62 T107 F108 T164 E168N53-F56 WeakPolarHBondContact ND2-CD2 3.35Å; N53-F56 WeakPolarHBondContact ND2-CE2 3.08Å; N53-F56 PolarHBondContact O-N 3.23Å; S54-F56 PolarHBondContact O-N 3.01Å; S54-F56 VanDerWaalsContact O-N 3.1Å; F56-Q62 PolarHBondContact O-NE2 3.37Å; F56-T107 HydrophobicContact CD1-CG2 3.76Å; F56-T107 HydrophobicContact CD2-CG2 3.94Å; F56-T107 VanDerWaalsContact CD2-O 3.32Å; F56-T107 WeakPolarHBondContact CD2-O 3.33Å; F56-T107 HydrophobicContact CE1-CG2 3.64Å; F56-T107 HydrophobicContact CE2-CG2 3.84Å; F56-T107 WeakPolarHBondContact CE2-O 3.12Å; F56-T107 HydrophobicContact CG-CG2 3.91Å; F56-T107 HydrophobicContact CZ-CG2 3.69Å; F56-F108 HydrophobicContact CB-CD1 3.8Å; F56-F108 HydrophobicContact CB-CE1 3.64Å; F56-F108 HydrophobicContact CG-CE1 4.4Å; F56-T164 HydrophobicContact CE1-CG2 3.81Å; F56-T164 HydrophobicContact CZ-CG2 4.09Å; F56-E168 HydrophobicContact CD1-CB 4.23Å; F56-E168 HydrophobicContact CD1-CG 4.2Å; F56-E168 HydrophobicContact CE1-CB 4.21Å; F56-E168 HydrophobicContact CE1-CG 4.38Å
57I96Very high96.2Very high3 Ų318.2 Ų18.22%0.01510%0.104CC..  trans-113.6123-178.6-54.5-57.7000109.4I52 S54 I63 L95 I118 L158I52-I57 HydrophobicContact CG2-CD1 3.91Å; I52-I57 HydrophobicContact CG2-CG1 3.87Å; S54-I57 PolarHBondContact O-N 3.36Å; S54-I57 VanDerWaalsContact O-N 3.15Å; I57-I63 HydrophobicContact CD1-CD1 4.45Å; I57-I63 HydrophobicContact CD1-CG1 4.03Å; I57-I63 HydrophobicContact CG1-CD1 4.28Å; I57-I63 HydrophobicContact CG1-CG1 4.38Å; I57-I63 HydrophobicContact CG2-CD1 3.88Å; I57-I63 HydrophobicContact CG2-CG1 4.02Å; I57-L95 HydrophobicContact CD1-CD1 4.21Å; I57-L95 HydrophobicContact CD1-CD2 3.86Å; I57-I118 HydrophobicContact CB-CD1 4.27Å; I57-I118 HydrophobicContact CG1-CD1 4.19Å; I57-I118 HydrophobicContact CG2-CD1 4.17Å; I57-L158 HydrophobicContact CG2-CD1 4.39Å; I57-L158 WeakPolarHBondContact O-CB 2.62Å; I57-L158 WeakPolarHBondContact O-CD1 3.42Å
58I95.2Very high96.3Very high1 Ų119.5 Ų19.51%0.00511%0.111CC..SBendtrans-97.5-26.4174.467.9163.3000112.8Q157 L158 I165 H186 L189 L190 I193I58-Q157 PolarHBondContact O-N 3.42Å; I58-L158 WeakPolarHBondContact O-CB 3.4Å; I58-L158 PolarHBondContact O-N 2.64Å; I58-I165 HydrophobicContact CG2-CD1 3.43Å; I58-I165 VanDerWaalsContact CG2-CD1 3.43Å; I58-I165 HydrophobicContact CG2-CG2 4.14Å; I58-H186 PolarHBondContact O-CE1 2.94Å; I58-H186 VanDerWaalsContact O-CE1 3.3Å; I58-L189 HydrophobicContact CD1-CB 4.21Å; I58-L189 HydrophobicContact CD1-CD2 3.9Å; I58-L189 HydrophobicContact CD1-CG 3.82Å; I58-L189 HydrophobicContact CG2-CD2 4.35Å; I58-L190 HydrophobicContact CD1-CB 3.88Å; I58-L190 HydrophobicContact CD1-CD1 4.32Å; I58-L190 HydrophobicContact CG1-CD1 4.29Å; I58-I193 HydrophobicContact CD1-CD1 3.59Å; I58-I193 HydrophobicContact CG1-CD1 3.85Å; I58-I193 HydrophobicContact CG2-CD1 4.22Å
59D95.7Very high96.3Very high11 Ų1118.8 Ų18.86%0.05910%0.104CC..  trans-154.3150.7-174.4-152.8-77.2000111.8V61 Q62 L155 T156 Q157 H186 L190D59-V61 PolarHBondContact O-N 3.14Å; D59-V61 WeakPolarHBondContact OD1-CG2 3.32Å; D59-V61 PolarHBondContact OD1-N 2.92Å; D59-V61 VanDerWaalsContact OD1-N 3.13Å; D59-Q62 WeakPolarHBondContact O-CB 3.49Å; D59-Q62 PolarHBondContact O-N 3.16Å; D59-Q62 VanDerWaalsContact O-N 3.07Å; D59-L155 CarbonylContact C-O 3.55Å; D59-L155 WeakPolarHBondContact CA-O 3.13Å; D59-T156 WeakPolarHBondContact OD2-CA 3.17Å; D59-Q157 PolarHBondContact OD2-N 2.9Å; D59-Q157 VanDerWaalsContact OD2-N 3.12Å; D59-H186 IonicContact OD2-CD2 3.5Å; D59-H186 IonicContact OD2-CE1 3.5Å; D59-H186 IonicContact OD2-NE2 2.91Å; D59-H186 PolarHBondContact OD2-NE2 3.48Å; D59-L190 HydrophobicContact CB-CD1 3.94Å; D59-L190 HydrophobicContact CB-CD2 4.03Å
60I95.4Very high96.3Very high23 Ų2317.4 Ų17.412%0.11810%0.096CC..Hα-helixtrans-59.4-31.3174.9-172.557.3000112.1I8 F20 Q62 I63 E64 L155 T156I8-I60 HydrophobicContact CD1-CD1 3.76Å; I8-I60 HydrophobicContact CD1-CG1 3.64Å; F20-I60 HydrophobicContact CD1-CD1 4.44Å; F20-I60 HydrophobicContact CD2-CD1 4.33Å; F20-I60 HydrophobicContact CE1-CD1 3.97Å; F20-I60 HydrophobicContact CE1-CG1 4.48Å; F20-I60 HydrophobicContact CE2-CD1 3.88Å; F20-I60 HydrophobicContact CZ-CD1 3.64Å; F20-I60 HydrophobicContact CZ-CG1 4Å; I60-Q62 PolarHBondContact O-N 3.28Å; I60-I63 HydrophobicContact CD1-CB 4.25Å; I60-I63 HydrophobicContact CD1-CD1 4.36Å; I60-I63 PolarHBondContact O-N 2.95Å; I60-E64 PolarHBondContact O-N 3.11Å; I60-L155 HydrophobicContact CB-CB 3.99Å; I60-L155 HydrophobicContact CD1-CD1 4.03Å; I60-L155 PolarHBondContact N-O 3.27Å; I60-T156 HydrophobicContact CG2-CG2 4.04Å
61V96.6Very high96.1Very high57 Ų5717.3 Ų17.335%0.34510%0.095SC..Hα-helixtrans-60.5-31.1177179.70000111.7D59 E64 A65 L190 L194D59-V61 PolarHBondContact O-N 3.14Å; D59-V61 WeakPolarHBondContact OD1-CG2 3.32Å; D59-V61 PolarHBondContact OD1-N 2.92Å; D59-V61 VanDerWaalsContact OD1-N 3.13Å; V61-E64 PolarHBondContact O-N 3.34Å; V61-A65 WeakPolarHBondContact O-CB 3.28Å; V61-A65 PolarHBondContact O-N 3.27Å; V61-L190 HydrophobicContact CB-CD1 4.47Å; V61-L190 HydrophobicContact CB-CD2 4Å; V61-L190 HydrophobicContact CG1-CD2 4.31Å; V61-L190 HydrophobicContact CG2-CD2 4.45Å; V61-L194 HydrophobicContact CG1-CD1 4.03Å
62Q97Very high95.9Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-63.2-43.1173.9-173-173.8-1500111.3F56 D59 I60 A66 L95 Y169 L190 I193 M197F56-Q62 PolarHBondContact O-NE2 3.37Å; D59-Q62 WeakPolarHBondContact O-CB 3.49Å; D59-Q62 PolarHBondContact O-N 3.16Å; D59-Q62 VanDerWaalsContact O-N 3.07Å; I60-Q62 PolarHBondContact O-N 3.28Å; Q62-A66 PolarHBondContact O-N 2.87Å; Q62-L95 HydrophobicContact CG-CD2 4.08Å; Q62-Y169 PolarHBondContact NE2-OH 3.46Å; Q62-L190 HydrophobicContact CB-CD1 4.21Å; Q62-I193 HydrophobicContact CG-CG2 3.95Å; Q62-M197 HydrophobicContact CG-CE 4.5Å; Q62-M197 HydrophobicContact CG-SD 3.84Å; Q62-M197 WeakPolarHBondContact O-CE 3.32Å
63I97.6Very high95.7Very high0 Ų020.3 Ų20.30%011%0.111CC..Hα-helixtrans-70.5-42.7176.9-62.7174.2000110.4F18 I52 I57 I60 A65 A66 V67 I118F18-I63 HydrophobicContact CE1-CG2 3.54Å; F18-I63 HydrophobicContact CZ-CG2 3.79Å; I52-I63 HydrophobicContact CD1-CD1 4.19Å; I52-I63 HydrophobicContact CD1-CG1 4.34Å; I52-I63 HydrophobicContact CD1-CG2 4.02Å; I57-I63 HydrophobicContact CD1-CD1 4.45Å; I57-I63 HydrophobicContact CD1-CG1 4.03Å; I57-I63 HydrophobicContact CG1-CD1 4.28Å; I57-I63 HydrophobicContact CG1-CG1 4.38Å; I57-I63 HydrophobicContact CG2-CD1 3.88Å; I57-I63 HydrophobicContact CG2-CG1 4.02Å; I60-I63 HydrophobicContact CD1-CB 4.25Å; I60-I63 HydrophobicContact CD1-CD1 4.36Å; I60-I63 PolarHBondContact O-N 2.95Å; I63-A65 VanDerWaalsContact C-N 3.31Å; I63-A65 PolarHBondContact O-N 3.31Å; I63-A66 PolarHBondContact O-N 3.45Å; I63-A66 VanDerWaalsContact O-N 3.14Å; I63-V67 HydrophobicContact CG2-CG2 4.04Å; I63-V67 WeakPolarHBondContact O-CG2 3.45Å; I63-V67 PolarHBondContact O-N 3.22Å; I63-I118 HydrophobicContact CD1-CD1 3.5Å; I63-I118 VanDerWaalsContact CD1-CD1 3.5Å; I63-I118 HydrophobicContact CD1-CG2 4.14Å
64E97.2Very high95.5Very high73 Ų7325.9 Ų25.934%0.34113%0.133SC..Hα-helixtrans-57.4-43.8177-175.2175.217800111.7I8 F10 I60 V61 V67 T68I8-E64 HydrophobicContact CD1-CB 4.32Å; I8-E64 HydrophobicContact CG2-CG 4.18Å; F10-E64 HydrophobicContact CE1-CG 3.79Å; F10-E64 HydrophobicContact CZ-CG 4.02Å; I60-E64 PolarHBondContact O-N 3.11Å; V61-E64 PolarHBondContact O-N 3.34Å; E64-V67 PolarHBondContact O-N 2.98Å; E64-T68 WeakPolarHBondContact O-CB 3.47Å; E64-T68 PolarHBondContact O-N 2.74Å; E64-T68 PolarHBondContact O-OG1 2.81Å
65A97.2Very high95.1Very high26 Ų2628.3 Ų28.322%0.21515%0.145CC..Hα-helixtrans-61.6-44.3174.500000112.1V61 I63 T68 Q69 L194 M197V61-A65 WeakPolarHBondContact O-CB 3.28Å; V61-A65 PolarHBondContact O-N 3.27Å; I63-A65 VanDerWaalsContact C-N 3.31Å; I63-A65 PolarHBondContact O-N 3.31Å; A65-T68 PolarHBondContact O-N 3.23Å; A65-Q69 WeakPolarHBondContact O-CG 3.44Å; A65-Q69 PolarHBondContact O-N 3.43Å; A65-L194 HydrophobicContact CB-CD2 3.49Å; A65-L194 VanDerWaalsContact CB-CD2 3.49Å; A65-M197 HydrophobicContact CB-CE 4.12Å
66A97.7Very high94.5Very high0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-66-42178.800000112.8Q62 I63 Q69 A70 I91 C94 L95 M197Q62-A66 PolarHBondContact O-N 2.87Å; I63-A66 PolarHBondContact O-N 3.45Å; I63-A66 VanDerWaalsContact O-N 3.14Å; A66-Q69 PolarHBondContact O-N 3.35Å; A66-A70 VanDerWaalsContact O-CB 3.31Å; A66-A70 WeakPolarHBondContact O-CB 3.33Å; A66-A70 PolarHBondContact O-N 2.91Å; A66-I91 HydrophobicContact CB-CG2 4.46Å; A66-C94 HydrophobicContact CB-CB 3.93Å; A66-C94 WeakPolarHBondContact O-CB 3.43Å; A66-L95 HydrophobicContact CB-CD2 3.61Å; A66-L95 HydrophobicContact CB-CG 3.67Å; A66-M197 HydrophobicContact CB-CE 3.89Å
67V97.4Very high93.7Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-64.8-43.4175.5174.30000110.5F10 F18 I63 E64 Q69 A70 L71 I91 I122F10-V67 HydrophobicContact CD1-CG1 4.34Å; F10-V67 HydrophobicContact CD2-CG1 4.11Å; F10-V67 HydrophobicContact CE1-CB 4.03Å; F10-V67 HydrophobicContact CE1-CG1 3.83Å; F10-V67 HydrophobicContact CE2-CB 4.32Å; F10-V67 HydrophobicContact CE2-CG1 3.59Å; F10-V67 HydrophobicContact CG-CG1 4.47Å; F10-V67 HydrophobicContact CZ-CB 3.69Å; F10-V67 HydrophobicContact CZ-CG1 3.43Å; F10-V67 VanDerWaalsContact CZ-CG1 3.43Å; F18-V67 HydrophobicContact CE1-CG2 4.48Å; F18-V67 HydrophobicContact CE2-CG2 4.36Å; F18-V67 HydrophobicContact CZ-CG2 4.34Å; I63-V67 HydrophobicContact CG2-CG2 4.04Å; I63-V67 WeakPolarHBondContact O-CG2 3.45Å; I63-V67 PolarHBondContact O-N 3.22Å; E64-V67 PolarHBondContact O-N 2.98Å; V67-Q69 PolarHBondContact O-N 2.92Å; V67-A70 PolarHBondContact O-N 3.47Å; V67-L71 HydrophobicContact CG1-CD1 3.86Å; V67-L71 HydrophobicContact CG1-CG 4.22Å; V67-L71 WeakPolarHBondContact O-CB 3.49Å; V67-L71 VanDerWaalsContact O-CG 3.28Å; V67-L71 WeakPolarHBondContact O-CG 3.35Å; V67-L71 PolarHBondContact O-N 3.18Å; V67-I91 HydrophobicContact CG2-CD1 4.45Å; V67-I91 HydrophobicContact CG2-CG1 4.34Å; V67-I91 HydrophobicContact CG2-CG2 4.07Å; V67-I122 HydrophobicContact CG1-CD1 3.96Å; V67-I122 HydrophobicContact CG2-CD1 4.14Å
68T95.5Very high92.8Very high42 Ų4241 Ų4126%0.25822%0.217SC..Hα-helixtrans-57.5-51.6175.9-58.30000111.2F10 E64 A65 A70 L71 I72F10-T68 WeakPolarHBondContact CD1-OG1 3.19Å; F10-T68 VanDerWaalsContact CE1-OG1 3.27Å; F10-T68 WeakPolarHBondContact CE1-OG1 3.42Å; E64-T68 WeakPolarHBondContact O-CB 3.47Å; E64-T68 PolarHBondContact O-N 2.74Å; E64-T68 PolarHBondContact O-OG1 2.81Å; A65-T68 PolarHBondContact O-N 3.23Å; T68-A70 PolarHBondContact O-N 2.95Å; T68-L71 PolarHBondContact O-N 2.98Å; T68-I72 HydrophobicContact CG2-CD1 4.06Å; T68-I72 WeakPolarHBondContact O-CG1 3.41Å; T68-I72 PolarHBondContact O-N 3.41Å
69Q94.5Very high91.7Very high28 Ų2842.8 Ų42.813%0.13123%0.229CC..Hα-helixtrans-58.8-47.9177.4-74.5179.43.200111.6A65 A66 V67 L71 I72 H73 C94A65-Q69 WeakPolarHBondContact O-CG 3.44Å; A65-Q69 PolarHBondContact O-N 3.43Å; A66-Q69 PolarHBondContact O-N 3.35Å; V67-Q69 PolarHBondContact O-N 2.92Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 2.96Å; Q69-I72 PolarHBondContact O-N 3.42Å; Q69-I72 VanDerWaalsContact O-N 3.17Å; Q69-H73 PolarHBondContact O-CE1 2.99Å; Q69-H73 VanDerWaalsContact O-CG 3.27Å; Q69-H73 PolarHBondContact O-N 3Å; Q69-H73 PolarHBondContact O-ND1 3.1Å; Q69-H73 VanDerWaalsContact O-ND1 3.1Å; Q69-C94 HydrophobicContact CB-CB 4.17Å
70A95.8Very high90.7Very high0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-62.4-36.9-179.600000112.7A66 V67 T68 H73 Y74 L87 E90 I91A66-A70 VanDerWaalsContact O-CB 3.31Å; A66-A70 WeakPolarHBondContact O-CB 3.33Å; A66-A70 PolarHBondContact O-N 2.91Å; V67-A70 PolarHBondContact O-N 3.47Å; T68-A70 PolarHBondContact O-N 2.95Å; A70-H73 PolarHBondContact O-N 2.83Å; A70-Y74 VanDerWaalsContact O-CB 3.25Å; A70-Y74 WeakPolarHBondContact O-CB 3.34Å; A70-Y74 PolarHBondContact O-N 3.37Å; A70-L87 HydrophobicContact CB-CD1 3.84Å; A70-E90 HydrophobicContact CB-CB 4.08Å; A70-E90 HydrophobicContact CB-CG 3.88Å; A70-I91 HydrophobicContact CB-CB 4.39Å; A70-I91 HydrophobicContact CB-CG1 3.53Å
71L95.1Very high90.3Very high0 Ų043.3 Ų43.30%024%0.243CC..Hα-helixtrans-70.2-34.8175.1-71.6174.9000112.6F10 L12 F16 V67 T68 Q69 Y74 N75 L87 I122F10-L71 HydrophobicContact CB-CD1 3.86Å; F10-L71 HydrophobicContact CD1-CD1 4.26Å; F10-L71 HydrophobicContact CD2-CD1 4.25Å; F10-L71 HydrophobicContact CG-CD1 3.85Å; L12-L71 HydrophobicContact CD1-CB 3.39Å; L12-L71 HydrophobicContact CD1-CD1 4.04Å; L12-L71 HydrophobicContact CD1-CG 4.37Å; F16-L71 HydrophobicContact CB-CD1 3.85Å; F16-L71 HydrophobicContact CB-CD2 4.46Å; F16-L71 HydrophobicContact CD1-CD2 3.75Å; F16-L71 HydrophobicContact CD2-CD1 3.88Å; F16-L71 HydrophobicContact CD2-CD2 3.75Å; F16-L71 HydrophobicContact CD2-CG 4.36Å; F16-L71 HydrophobicContact CE1-CD2 3.8Å; F16-L71 HydrophobicContact CE2-CD2 3.83Å; F16-L71 HydrophobicContact CG-CD1 3.9Å; F16-L71 HydrophobicContact CG-CD2 3.73Å; F16-L71 HydrophobicContact CG-CG 4.48Å; F16-L71 HydrophobicContact CZ-CD2 3.86Å; V67-L71 HydrophobicContact CG1-CD1 3.86Å; V67-L71 HydrophobicContact CG1-CG 4.22Å; V67-L71 WeakPolarHBondContact O-CB 3.49Å; V67-L71 VanDerWaalsContact O-CG 3.28Å; V67-L71 WeakPolarHBondContact O-CG 3.35Å; V67-L71 PolarHBondContact O-N 3.18Å; T68-L71 PolarHBondContact O-N 2.98Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 2.96Å; L71-Y74 PolarHBondContact O-N 3.42Å; L71-N75 WeakPolarHBondContact O-CB 3.47Å; L71-N75 PolarHBondContact O-N 2.85Å; L71-N75 PolarHBondContact O-ND2 2.88Å; L71-L87 HydrophobicContact CD2-CD1 4.14Å; L71-L87 HydrophobicContact CD2-CD2 3.85Å; L71-I122 HydrophobicContact CD2-CG2 4.23Å
72I92.8Very high90Very high68 Ų6843.6 Ų43.635%0.34924%0.241SC..Hα-helixtrans-61.8-50.9171.7-69165.4000109.5L12 T68 Q69 Y74 N75 D76 S79L12-I72 HydrophobicContact CD1-CG1 4.34Å; L12-I72 HydrophobicContact CD2-CG1 4.34Å; T68-I72 HydrophobicContact CG2-CD1 4.06Å; T68-I72 WeakPolarHBondContact O-CG1 3.41Å; T68-I72 PolarHBondContact O-N 3.41Å; Q69-I72 PolarHBondContact O-N 3.42Å; Q69-I72 VanDerWaalsContact O-N 3.17Å; I72-Y74 PolarHBondContact O-N 3.15Å; I72-N75 PolarHBondContact O-N 3.06Å; I72-D76 PolarHBondContact O-N 3.45Å; I72-S79 PolarHBondContact O-OG 2.81Å
73H92.6Very high89.6Confident6 Ų647.3 Ų47.33%0.02826%0.256CS..Hα-helixtrans-60.7-31.1176.8-59.8143.2000113.5Q69 A70 G81 M82 E90 D201 R204Q69-H73 PolarHBondContact O-CE1 2.99Å; Q69-H73 VanDerWaalsContact O-CG 3.27Å; Q69-H73 PolarHBondContact O-N 3Å; Q69-H73 PolarHBondContact O-ND1 3.1Å; Q69-H73 VanDerWaalsContact O-ND1 3.1Å; A70-H73 PolarHBondContact O-N 2.83Å; H73-G81 CarbonylContact O-C 3.58Å; H73-G81 WeakPolarHBondContact O-CA 3.38Å; H73-M82 HydrophobicContact CB-CG 4.1Å; H73-M82 PolarHBondContact O-N 3.13Å; H73-E90 HydrophobicContact CB-CG 4.39Å; H73-E90 IonicContact CG-OE1 3.53Å; H73-E90 IonicContact ND1-OE1 3.34Å; H73-E90 PolarHBondContact ND1-OE1 3.37Å; H73-D201 IonicContact CE1-OD1 2.9Å; H73-D201 PolarHBondContact CE1-OD1 3.28Å; H73-D201 IonicContact CE1-OD2 3.69Å; H73-D201 IonicContact NE2-OD1 2.67Å; H73-D201 PolarHBondContact NE2-OD1 2.92Å; H73-D201 IonicContact NE2-OD2 3.91Å; H73-D201 PolarHBondContact NE2-OD2 2.95Å; H73-R204 PolarHBondContact CE1-NH1 3.22Å; H73-R204 PolarHBondContact ND1-NH1 3.42Å; H73-R204 PolarHBondContact ND1-NH2 3.25Å; H73-R204 PolarHBondContact NE2-NH1 2.93Å
74Y91.8Very high89.4Confident121 Ų12148 Ų4848%0.47526%0.26SS..Hα-helixtrans-74.8-38.7178.7177.5-98.7000112.9F16 A70 L71 I72 M82 L87F16-Y74 HydrophobicContact CZ-CD1 4.29Å; F16-Y74 HydrophobicContact CZ-CE1 4.27Å; A70-Y74 VanDerWaalsContact O-CB 3.25Å; A70-Y74 WeakPolarHBondContact O-CB 3.34Å; A70-Y74 PolarHBondContact O-N 3.37Å; L71-Y74 PolarHBondContact O-N 3.42Å; I72-Y74 PolarHBondContact O-N 3.15Å; Y74-M82 HydrophobicContact CD2-CE 3.72Å; Y74-M82 HydrophobicContact CD2-SD 3.73Å; Y74-M82 HydrophobicContact CE2-CE 4.32Å; Y74-M82 HydrophobicContact CG-SD 4.44Å; Y74-L87 HydrophobicContact CD2-CB 4.46Å; Y74-L87 HydrophobicContact CG-CD1 4.45Å
75N87.1Confident89.1Confident58 Ų5856.7 Ų56.731%0.3129%0.289SS..Hα-helixtrans-92.3-21.1-175.1-66.2-53.8000113.7F16 L71 I72F16-N75 WeakPolarHBondContact CE2-ND2 3.29Å; L71-N75 WeakPolarHBondContact O-CB 3.47Å; L71-N75 PolarHBondContact O-N 2.85Å; L71-N75 PolarHBondContact O-ND2 2.88Å; I72-N75 PolarHBondContact O-N 3.06Å
76D81.8Confident88.9Confident59 Ų5956.6 Ų56.632%0.31629%0.291SS..  trans-131.499.9-172.5-176.28.9000112.1I72 S78 S79I72-D76 PolarHBondContact O-N 3.45Å; D76-S78 PolarHBondContact O-N 3.27Å; D76-S78 WeakPolarHBondContact OD1-CA 3.47Å; D76-S78 WeakPolarHBondContact OD1-CB 3.46Å; D76-S78 PolarHBondContact OD1-N 3.42Å; D76-S78 PolarHBondContact OD1-OG 2.96Å; D76-S78 PolarHBondContact OD2-OG 3.5Å; D76-S78 VanDerWaalsContact OD2-OG 3.07Å; D76-S79 WeakPolarHBondContact O-CB 3.33Å; D76-S79 PolarHBondContact O-N 2.92Å; D76-S79 VanDerWaalsContact O-N 3.1Å; D76-S79 PolarHBondContact O-OG 3.45Å
77E78.4Confident88.8Confident181 Ų18157.1 Ų57.185%0.84629%0.294SS*.G310 helixtrans-61.8-24.3173.1-68.1-17016600112.6S79 G80 G81E77-S79 PolarHBondContact O-N 3.31Å; E77-G80 PolarHBondContact O-N 2.84Å; E77-G80 VanDerWaalsContact O-N 3.12Å; E77-G81 PolarHBondContact O-N 3.03Å
78S77.4Confident88.7Confident108 Ų10858.2 Ų58.276%0.75530%0.303SS*.G310 helixtrans-72-17.9177.282.30000113D76 G80D76-S78 PolarHBondContact O-N 3.27Å; D76-S78 WeakPolarHBondContact OD1-CA 3.47Å; D76-S78 WeakPolarHBondContact OD1-CB 3.46Å; D76-S78 PolarHBondContact OD1-N 3.42Å; D76-S78 PolarHBondContact OD1-OG 2.96Å; D76-S78 PolarHBondContact OD2-OG 3.5Å; D76-S78 VanDerWaalsContact OD2-OG 3.07Å; S78-G80 PolarHBondContact O-N 2.94Å
79S71.4Confident88.8Confident37 Ų3758.3 Ų58.326%0.25930%0.304SS..G310 helixtrans-798.1169.876.50000113.8I72 D76 E77I72-S79 PolarHBondContact O-OG 2.81Å; D76-S79 WeakPolarHBondContact O-CB 3.33Å; D76-S79 PolarHBondContact O-N 2.92Å; D76-S79 VanDerWaalsContact O-N 3.1Å; D76-S79 PolarHBondContact O-OG 3.45Å; E77-S79 PolarHBondContact O-N 3.31Å
80G74.6Confident88.9Confident37 Ų3757 Ų5738%0.38130%0.297SS..THydrogen-bonded Turntrans96.4-6.4-175.800000113.8E77 S78E77-G80 PolarHBondContact O-N 2.84Å; E77-G80 VanDerWaalsContact O-N 3.12Å; S78-G80 PolarHBondContact O-N 2.94Å
81G86.6Confident89Confident9 Ų957 Ų579%0.09330%0.297CS..  trans63.3-179.3178.900000114.1H73 E77 R204H73-G81 CarbonylContact O-C 3.58Å; H73-G81 WeakPolarHBondContact O-CA 3.38Å; E77-G81 PolarHBondContact O-N 3.03Å; G81-R204 PolarHBondContact O-NH2 3.32Å
82M91Very high89.1Confident63 Ų6357.7 Ų57.731%0.3130%0.301SS..  trans-73135.7173.2-64.1-169.3-66.100111.1H73 Y74 E90H73-M82 HydrophobicContact CB-CG 4.1Å; H73-M82 PolarHBondContact O-N 3.13Å; Y74-M82 HydrophobicContact CD2-CE 3.72Å; Y74-M82 HydrophobicContact CD2-SD 3.73Å; Y74-M82 HydrophobicContact CE2-CE 4.32Å; Y74-M82 HydrophobicContact CG-SD 4.44Å; M82-E90 HydrophobicContact CB-CG 4.3Å; M82-E90 HydrophobicContact CG-CB 4.39Å; M82-E90 HydrophobicContact CG-CG 3.95Å; M82-E90 HydrophobicContact SD-CB 4.17Å; M82-E90 HydrophobicContact SD-CG 4.36Å
83Y89Confident89.3Confident78 Ų7854.7 Ų54.731%0.30629%0.286SS..SBendtrans-81.1-28.7166.7-77.1-61.4000112.4E90 Y93 R204 P205Y83-E90 PolarHBondContact N-OE1 3.1Å; Y83-E90 PolarHBondContact N-OE2 3.12Å; Y83-Y93 AromaticContact CD2-CE1 3.69Å; Y83-Y93 HydrophobicContact CD2-CE1 3.69Å; Y83-Y93 AromaticContact CD2-CZ 3.95Å; Y83-Y93 HydrophobicContact CE2-CE1 4.46Å; Y83-R204 HydrophobicContact CE2-CB 4.18Å; Y83-R204 HydrophobicContact CE2-CG 3.77Å; Y83-R204 VanDerWaalsContact OH-CB 3.32Å; Y83-R204 WeakPolarHBondContact OH-CB 3.5Å; Y83-P205 HydrophobicContact CE1-CG 4.25Å; Y83-P205 WeakPolarHBondContact OH-CD 3.16Å; Y83-P205 VanDerWaalsContact OH-CG 3.26Å; Y83-P205 WeakPolarHBondContact OH-CG 3.32Å; Y83-P205 PolarHBondContact OH-O 2.89Å
84T91.8Very high89.5Confident13 Ų1354.4 Ų54.48%0.0828%0.284CS..SBendtrans-92.2169.9-178.273.20000111.4G86 T89 E90 Y93 I101T84-G86 VanDerWaalsContact C-N 3.29Å; T84-G86 PolarHBondContact O-N 2.78Å; T84-G86 PolarHBondContact OG1-O 3.45Å; T84-G86 VanDerWaalsContact OG1-O 3.1Å; T84-T89 WeakPolarHBondContact CB-OG1 3.26Å; T84-T89 PolarHBondContact OG1-OG1 2.83Å; T84-E90 WeakPolarHBondContact CB-OE2 3.38Å; T84-E90 WeakPolarHBondContact CG2-OE2 3.26Å; T84-E90 PolarHBondContact N-OE2 3.39Å; T84-E90 VanDerWaalsContact OG1-CA 3.23Å; T84-E90 WeakPolarHBondContact OG1-CA 3.32Å; T84-E90 WeakPolarHBondContact OG1-CB 3.28Å; T84-E90 PolarHBondContact OG1-N 3.17Å; T84-E90 PolarHBondContact OG1-OE2 3.41Å; T84-Y93 HydrophobicContact CG2-CG 4.32Å; T84-I101 HydrophobicContact CG2-CD1 4.26Å; T84-I101 HydrophobicContact CG2-CG1 4.25Å; T84-I101 HydrophobicContact CG2-CG2 4Å
85R90.8Very high89.8Confident256 Ų25648.7 Ų48.797%0.96626%0.262SS*.SBendtrans-80-8-175-66.6-176.1-180174.20.4114.1
86G93.1Very high90.3Very high25 Ų2545.9 Ų45.926%0.25825%0.247SC..SBendtrans-167.6160.1-177.100000112.6T84 A88 T89 E90T84-G86 VanDerWaalsContact C-N 3.29Å; T84-G86 PolarHBondContact O-N 2.78Å; T84-G86 PolarHBondContact OG1-O 3.45Å; T84-G86 VanDerWaalsContact OG1-O 3.1Å; G86-A88 VanDerWaalsContact C-N 3.3Å; G86-A88 PolarHBondContact O-N 3.2Å; G86-T89 PolarHBondContact N-OG1 3.48Å; G86-T89 PolarHBondContact O-N 2.91Å; G86-T89 VanDerWaalsContact O-N 3.15Å; G86-T89 PolarHBondContact O-OG1 3.22Å; G86-E90 PolarHBondContact O-N 3.18Å
87L95.5Very high91Very high10 Ų1044.5 Ų44.55%0.05224%0.241CC..Hα-helixtrans-59.2-37.4-172-177.861.1000113.3V48 A70 L71 Y74 T89 E90 I91 I122V48-L87 HydrophobicContact CG1-CB 4.29Å; V48-L87 HydrophobicContact CG2-CB 4.27Å; V48-L87 HydrophobicContact CG2-CD2 4.38Å; A70-L87 HydrophobicContact CB-CD1 3.84Å; L71-L87 HydrophobicContact CD2-CD1 4.14Å; L71-L87 HydrophobicContact CD2-CD2 3.85Å; Y74-L87 HydrophobicContact CD2-CB 4.46Å; Y74-L87 HydrophobicContact CG-CD1 4.45Å; L87-T89 PolarHBondContact O-N 3.44Å; L87-E90 PolarHBondContact O-N 2.92Å; L87-I91 HydrophobicContact CD1-CD1 4.38Å; L87-I91 HydrophobicContact CD1-CG1 4.45Å; L87-I91 HydrophobicContact CG-CD1 4.08Å; L87-I91 VanDerWaalsContact O-CD1 3.25Å; L87-I91 WeakPolarHBondContact O-CD1 3.34Å; L87-I91 VanDerWaalsContact O-CG1 3.26Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 3.31Å; L87-I122 HydrophobicContact CD2-CB 4.42Å; L87-I122 HydrophobicContact CD2-CG2 3.91Å
88A96.6Very high91.6Very high23 Ų2338 Ų3819%0.1921%0.212CC..Hα-helixtrans-59.3-47.8177.200000112.1V48 V49 V50 G86 E90 I91 L92V48-A88 HydrophobicContact CG1-CB 3.58Å; V49-A88 WeakPolarHBondContact O-CB 2.99Å; V50-A88 HydrophobicContact CB-CB 4.18Å; V50-A88 HydrophobicContact CG2-CB 4.35Å; G86-A88 VanDerWaalsContact C-N 3.3Å; G86-A88 PolarHBondContact O-N 3.2Å; A88-E90 VanDerWaalsContact C-N 3.29Å; A88-E90 PolarHBondContact O-N 2.81Å; A88-I91 PolarHBondContact O-N 3.37Å; A88-L92 WeakPolarHBondContact O-CG 3.25Å; A88-L92 PolarHBondContact O-N 2.61Å
89T96.4Very high92.3Very high44 Ų4438.9 Ų38.927%0.2720%0.199SC..Hα-helixtrans-70.1-29.7177.948.60000111.6T84 G86 L87 L92 Y93 L105T84-T89 WeakPolarHBondContact CB-OG1 3.26Å; T84-T89 PolarHBondContact OG1-OG1 2.83Å; G86-T89 PolarHBondContact N-OG1 3.48Å; G86-T89 PolarHBondContact O-N 2.91Å; G86-T89 VanDerWaalsContact O-N 3.15Å; G86-T89 PolarHBondContact O-OG1 3.22Å; L87-T89 PolarHBondContact O-N 3.44Å; T89-L92 PolarHBondContact O-N 3.1Å; T89-Y93 WeakPolarHBondContact O-CB 3.45Å; T89-Y93 PolarHBondContact O-N 3.23Å; T89-L105 HydrophobicContact CG2-CD1 4.35Å; T89-L105 HydrophobicContact CG2-CD2 3.75Å
90E96.8Very high93.4Very high0 Ų039.8 Ų39.80%021%0.205CC..Hα-helixtrans-68.8-37.6176.9-164.467.7-16600111A70 H73 M82 Y83 T84 G86 L87 A88 Y93 C94 R204A70-E90 HydrophobicContact CB-CB 4.08Å; A70-E90 HydrophobicContact CB-CG 3.88Å; H73-E90 HydrophobicContact CB-CG 4.39Å; H73-E90 IonicContact CG-OE1 3.53Å; H73-E90 IonicContact ND1-OE1 3.34Å; H73-E90 PolarHBondContact ND1-OE1 3.37Å; M82-E90 HydrophobicContact CB-CG 4.3Å; M82-E90 HydrophobicContact CG-CB 4.39Å; M82-E90 HydrophobicContact CG-CG 3.95Å; M82-E90 HydrophobicContact SD-CB 4.17Å; M82-E90 HydrophobicContact SD-CG 4.36Å; Y83-E90 PolarHBondContact N-OE1 3.1Å; Y83-E90 PolarHBondContact N-OE2 3.12Å; T84-E90 WeakPolarHBondContact CB-OE2 3.38Å; T84-E90 WeakPolarHBondContact CG2-OE2 3.26Å; T84-E90 PolarHBondContact N-OE2 3.39Å; T84-E90 VanDerWaalsContact OG1-CA 3.23Å; T84-E90 WeakPolarHBondContact OG1-CA 3.32Å; T84-E90 WeakPolarHBondContact OG1-CB 3.28Å; T84-E90 PolarHBondContact OG1-N 3.17Å; T84-E90 PolarHBondContact OG1-OE2 3.41Å; G86-E90 PolarHBondContact O-N 3.18Å; L87-E90 PolarHBondContact O-N 2.92Å; A88-E90 VanDerWaalsContact C-N 3.29Å; A88-E90 PolarHBondContact O-N 2.81Å; E90-Y93 CarbonylContact O-C 3.58Å; E90-Y93 WeakPolarHBondContact O-CB 2.97Å; E90-Y93 PolarHBondContact O-N 2.95Å; E90-C94 WeakPolarHBondContact O-CB 3.32Å; E90-C94 PolarHBondContact O-N 2.83Å; E90-C94 PolarHBondContact O-SG 3.24Å; E90-R204 IonicContact OE1-CZ 2.69Å; E90-R204 IonicContact OE1-NH1 3.19Å; E90-R204 IonicContact OE1-NH2 2.65Å; E90-R204 PolarHBondContact OE1-NH2 3.47Å
91I98Very high94.3Very high0 Ų041.1 Ų41.10%020%0.203CC..Hα-helixtrans-64-45.4175.4-66.7152000111V50 I52 A66 V67 A70 L87 A88 Y93 C94 L95 I122V50-I91 HydrophobicContact CG1-CD1 4.42Å; I52-I91 HydrophobicContact CD1-CG2 4.48Å; A66-I91 HydrophobicContact CB-CG2 4.46Å; V67-I91 HydrophobicContact CG2-CD1 4.45Å; V67-I91 HydrophobicContact CG2-CG1 4.34Å; V67-I91 HydrophobicContact CG2-CG2 4.07Å; A70-I91 HydrophobicContact CB-CB 4.39Å; A70-I91 HydrophobicContact CB-CG1 3.53Å; L87-I91 HydrophobicContact CD1-CD1 4.38Å; L87-I91 HydrophobicContact CD1-CG1 4.45Å; L87-I91 HydrophobicContact CG-CD1 4.08Å; L87-I91 VanDerWaalsContact O-CD1 3.25Å; L87-I91 WeakPolarHBondContact O-CD1 3.34Å; L87-I91 VanDerWaalsContact O-CG1 3.26Å; L87-I91 WeakPolarHBondContact O-CG1 3.36Å; L87-I91 PolarHBondContact O-N 3.31Å; A88-I91 PolarHBondContact O-N 3.37Å; I91-Y93 VanDerWaalsContact C-N 3.28Å; I91-Y93 PolarHBondContact O-N 3.24Å; I91-C94 PolarHBondContact O-N 3.01Å; I91-C94 VanDerWaalsContact O-N 3.17Å; I91-L95 PolarHBondContact O-N 2.84Å; I91-I122 HydrophobicContact CD1-CD1 3.03Å; I91-I122 HydrophobicContact CD1-CG1 4.49Å; I91-I122 HydrophobicContact CG1-CD1 4.21Å
92L98Very high94.8Very high15 Ų1545.2 Ų45.28%0.07923%0.226CC..Hα-helixtrans-61.7-40.5175.7-62.9-179.1000111.1V50 I52 A88 T89 L95 L105 F108V50-L92 HydrophobicContact CG2-CD2 3.97Å; V50-L92 HydrophobicContact CG2-CG 4.06Å; I52-L92 HydrophobicContact CG1-CD2 4Å; A88-L92 WeakPolarHBondContact O-CG 3.25Å; A88-L92 PolarHBondContact O-N 2.61Å; T89-L92 PolarHBondContact O-N 3.1Å; L92-L95 HydrophobicContact CD2-CD1 4.32Å; L92-L95 PolarHBondContact O-N 3.01Å; L92-L105 HydrophobicContact CB-CD2 3.92Å; L92-L105 HydrophobicContact CD1-CD2 3.67Å; L92-L105 HydrophobicContact CG-CD2 4.42Å; L92-F108 HydrophobicContact CD2-CB 4.13Å; L92-F108 WeakPolarHBondContact CD2-O 3.13Å
93Y96.9Very high95Very high6 Ų645.2 Ų45.22%0.02423%0.225CC..Hα-helixtrans-60.7-45.2172.1-179.5-104.1000112.2Y83 T84 T89 E90 I91 L95 S96 I101 A104 R200Y83-Y93 AromaticContact CD2-CE1 3.69Å; Y83-Y93 HydrophobicContact CD2-CE1 3.69Å; Y83-Y93 AromaticContact CD2-CZ 3.95Å; Y83-Y93 HydrophobicContact CE2-CE1 4.46Å; T84-Y93 HydrophobicContact CG2-CG 4.32Å; T89-Y93 WeakPolarHBondContact O-CB 3.45Å; T89-Y93 PolarHBondContact O-N 3.23Å; E90-Y93 CarbonylContact O-C 3.58Å; E90-Y93 WeakPolarHBondContact O-CB 2.97Å; E90-Y93 PolarHBondContact O-N 2.95Å; I91-Y93 VanDerWaalsContact C-N 3.28Å; I91-Y93 PolarHBondContact O-N 3.24Å; Y93-L95 PolarHBondContact O-N 3.17Å; Y93-S96 WeakPolarHBondContact O-CB 3.5Å; Y93-S96 PolarHBondContact O-N 3.27Å; Y93-I101 HydrophobicContact CD2-CG1 3.98Å; Y93-I101 HydrophobicContact CE2-CG1 4.1Å; Y93-A104 HydrophobicContact CD2-CB 4.29Å; Y93-R200 PolarHBondContact O-NH1 3.07Å
94C97Very high95.4Very high0 Ų041.5 Ų41.50%021%0.211CC..Hα-helixtrans-65.1-24.6179.9-71.90000113.4A66 Q69 E90 I91 M197 R200A66-C94 HydrophobicContact CB-CB 3.93Å; A66-C94 WeakPolarHBondContact O-CB 3.43Å; Q69-C94 HydrophobicContact CB-CB 4.17Å; E90-C94 WeakPolarHBondContact O-CB 3.32Å; E90-C94 PolarHBondContact O-N 2.83Å; E90-C94 PolarHBondContact O-SG 3.24Å; I91-C94 PolarHBondContact O-N 3.01Å; I91-C94 VanDerWaalsContact O-N 3.17Å; C94-M197 WeakPolarHBondContact O-CE 3.38Å; C94-R200 VanDerWaalsContact CA-NH1 3.32Å; C94-R200 PolarHBondContact O-NH1 3.02Å
95L98Very high95.6Very high0 Ų043.7 Ų43.70%022%0.221CC..Hα-helixtrans-70.1-31.1171-72166.8000112.9I52 I57 Q62 A66 I91 L92 Y93 F108 Y169 M197I52-L95 HydrophobicContact CD1-CD1 4.47Å; I52-L95 HydrophobicContact CG2-CD1 3.83Å; I57-L95 HydrophobicContact CD1-CD1 4.21Å; I57-L95 HydrophobicContact CD1-CD2 3.86Å; Q62-L95 HydrophobicContact CG-CD2 4.08Å; A66-L95 HydrophobicContact CB-CD2 3.61Å; A66-L95 HydrophobicContact CB-CG 3.67Å; I91-L95 PolarHBondContact O-N 2.84Å; L92-L95 HydrophobicContact CD2-CD1 4.32Å; L92-L95 PolarHBondContact O-N 3.01Å; Y93-L95 PolarHBondContact O-N 3.17Å; L95-F108 HydrophobicContact CB-CB 4.31Å; L95-F108 HydrophobicContact CB-CD1 3.61Å; L95-F108 HydrophobicContact CB-CD2 4.23Å; L95-F108 HydrophobicContact CB-CE1 3.92Å; L95-F108 HydrophobicContact CB-CG 3.78Å; L95-F108 HydrophobicContact CB-CZ 4.38Å; L95-F108 HydrophobicContact CD1-CB 4.02Å; L95-F108 HydrophobicContact CD1-CD1 4.04Å; L95-F108 HydrophobicContact CD1-CG 4.25Å; L95-F108 HydrophobicContact CG-CD1 4.35Å; L95-Y169 WeakPolarHBondContact O-CE1 3.43Å; L95-Y169 PolarHBondContact O-OH 2.74Å; L95-M197 HydrophobicContact CD2-CE 4.43Å
96S97.2Very high95.9Very high0 Ų036.1 Ų36.10%020%0.2CC..  trans-71.7139.9-172.7-178.10000113Y93 N98 F108 R200Y93-S96 WeakPolarHBondContact O-CB 3.5Å; Y93-S96 PolarHBondContact O-N 3.27Å; S96-N98 PolarHBondContact O-N 3Å; S96-N98 PolarHBondContact OG-N 3.15Å; S96-N98 VanDerWaalsContact OG-N 3.15Å; S96-N98 PolarHBondContact OG-ND2 3.47Å; S96-N98 VanDerWaalsContact OG-ND2 3.15Å; S96-N98 PolarHBondContact OG-O 2.89Å; S96-N98 PolarHBondContact OG-OD1 2.82Å; S96-N98 VanDerWaalsContact OG-OD1 3.06Å; S96-F108 VanDerWaalsContact CA-CE2 3.46Å; S96-R200 WeakPolarHBondContact O-CD 3.38Å; S96-R200 PolarHBondContact O-NH1 3.5Å
97P95.9Very high96Very high29 Ų2935.4 Ų35.419%0.18819%0.191CC..SBendtrans-76.3-13170.229.5-31000113E168 Y169 R196P97-E168 WeakPolarHBondContact CD-OE1 3.48Å; P97-E168 HydrophobicContact CG-CG 4.38Å; P97-E168 WeakPolarHBondContact CG-O 3.4Å; P97-Y169 HydrophobicContact CB-CD1 3.72Å; P97-Y169 HydrophobicContact CB-CE1 4.1Å; P97-Y169 HydrophobicContact CG-CD1 3.83Å; P97-Y169 HydrophobicContact CG-CE1 4.11Å; P97-Y169 HydrophobicContact CG-CG 4.35Å; P97-R196 HydrophobicContact CB-CB 4.18Å
98N91.2Very high96.1Very high44 Ų4435 Ų3524%0.23519%0.188CC..SBendtrans-111.5168-178.763.469.9000112S96 S100 H103 E168 R200S96-N98 PolarHBondContact O-N 3Å; S96-N98 PolarHBondContact OG-N 3.15Å; S96-N98 VanDerWaalsContact OG-N 3.15Å; S96-N98 PolarHBondContact OG-ND2 3.47Å; S96-N98 VanDerWaalsContact OG-ND2 3.15Å; S96-N98 PolarHBondContact OG-O 2.89Å; S96-N98 PolarHBondContact OG-OD1 2.82Å; S96-N98 VanDerWaalsContact OG-OD1 3.06Å; N98-S100 PolarHBondContact OD1-N 3.24Å; N98-S100 VanDerWaalsContact OD1-N 3.15Å; N98-H103 PolarHBondContact ND2-CD2 2.96Å; N98-H103 PolarHBondContact ND2-NE2 3.15Å; N98-E168 PolarHBondContact ND2-OE1 2.9Å; N98-R200 VanDerWaalsContact O-CD 3.29Å; N98-R200 WeakPolarHBondContact O-CD 3.06Å
99R91.9Very high96.1Very high128 Ų12834 Ų3448%0.48318%0.181SC..SBendtrans-94.56.8-177.6-57.9-172.2-167.1173.410.5114.3I101 R200 F203R99-I101 PolarHBondContact O-N 3.49Å; R99-R200 HydrophobicContact CG-CG 3.92Å; R99-F203 PolarHBondContact NH1-O 2.98Å; R99-F203 PolarHBondContact NH2-O 3.5Å
100S94.5Very high96.1Very high56 Ų5632.8 Ų32.839%0.39217%0.173SC..  trans-82.5109.6178.8174.60000108.9N98 T102 H103 A104N98-S100 PolarHBondContact OD1-N 3.24Å; N98-S100 VanDerWaalsContact OD1-N 3.15Å; S100-T102 VanDerWaalsContact C-N 3.27Å; S100-T102 PolarHBondContact O-N 2.78Å; S100-H103 PolarHBondContact O-N 3.49Å; S100-H103 WeakPolarHBondContact OG-CB 3.22Å; S100-H103 PolarHBondContact OG-N 2.71Å; S100-A104 PolarHBondContact O-N 2.68Å
101I94.5Very high96Very high64 Ų6436.4 Ų36.433%0.32819%0.189SC..Hα-helixtrans-56.4-46.3175.8-61.9171.4000109.8T84 Y93 R99 H103 A104 L105T84-I101 HydrophobicContact CG2-CD1 4.26Å; T84-I101 HydrophobicContact CG2-CG1 4.25Å; T84-I101 HydrophobicContact CG2-CG2 4Å; Y93-I101 HydrophobicContact CD2-CG1 3.98Å; Y93-I101 HydrophobicContact CE2-CG1 4.1Å; R99-I101 PolarHBondContact O-N 3.49Å; I101-H103 VanDerWaalsContact C-N 3.34Å; I101-H103 PolarHBondContact O-N 3.49Å; I101-A104 PolarHBondContact O-N 2.82Å; I101-L105 HydrophobicContact CG2-CD1 4Å; I101-L105 HydrophobicContact CG2-CG 4.25Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 3.03Å
102T96Very high95.8Very high95 Ų9538.9 Ų38.958%0.58321%0.209SC*.Hα-helixtrans-57.2-47.7178.2-540000111.4S100 A104 L105 D106S100-T102 VanDerWaalsContact C-N 3.27Å; S100-T102 PolarHBondContact O-N 2.78Å; T102-A104 VanDerWaalsContact C-N 3.34Å; T102-A104 PolarHBondContact O-N 2.81Å; T102-L105 PolarHBondContact O-N 2.95Å; T102-D106 WeakPolarHBondContact O-CB 3.49Å; T102-D106 VanDerWaalsContact O-CG 3.26Å; T102-D106 PolarHBondContact O-N 2.83Å
103H96.5Very high95.7Very high64 Ų6442.2 Ų42.230%0.29623%0.234SC..Hα-helixtrans-62.1-42.6177.7-176.396.9000111.7N98 S100 I101 L105 D106 T107 E168N98-H103 PolarHBondContact ND2-CD2 2.96Å; N98-H103 PolarHBondContact ND2-NE2 3.15Å; S100-H103 PolarHBondContact O-N 3.49Å; S100-H103 WeakPolarHBondContact OG-CB 3.22Å; S100-H103 PolarHBondContact OG-N 2.71Å; I101-H103 VanDerWaalsContact C-N 3.34Å; I101-H103 PolarHBondContact O-N 3.49Å; H103-L105 PolarHBondContact O-N 3.15Å; H103-D106 PolarHBondContact O-N 3.28Å; H103-T107 PolarHBondContact NE2-OG1 3.17Å; H103-T107 VanDerWaalsContact O-CB 3.28Å; H103-T107 WeakPolarHBondContact O-CB 3.37Å; H103-T107 PolarHBondContact O-N 3.37Å; H103-T107 PolarHBondContact O-OG1 2.77Å; H103-T107 VanDerWaalsContact O-OG1 3.11Å; H103-E168 IonicContact CD2-OE1 3.43Å; H103-E168 PolarHBondContact CD2-OE1 3.19Å; H103-E168 IonicContact CE1-OE1 3.88Å; H103-E168 IonicContact CE1-OE2 3.07Å; H103-E168 PolarHBondContact CE1-OE2 2.99Å; H103-E168 IonicContact NE2-OE1 2.74Å; H103-E168 PolarHBondContact NE2-OE1 3.47Å; H103-E168 IonicContact NE2-OE2 2.64Å; H103-E168 PolarHBondContact NE2-OE2 3.42Å
104A97.2Very high95.6Very high0 Ų042.1 Ų42.10%023%0.234CC..Hα-helixtrans-61.9-44.9179.800000112Y93 S100 I101 T102 F108Y93-A104 HydrophobicContact CD2-CB 4.29Å; S100-A104 PolarHBondContact O-N 2.68Å; I101-A104 PolarHBondContact O-N 2.82Å; T102-A104 VanDerWaalsContact C-N 3.34Å; T102-A104 PolarHBondContact O-N 2.81Å; A104-F108 WeakPolarHBondContact O-CB 3.39Å; A104-F108 PolarHBondContact O-N 2.86Å
105L96.4Very high95.5Very high58 Ų5847.6 Ų47.630%0.30426%0.258SS..Hα-helixtrans-66.4-42177-62.7-179.1000111.8T89 L92 I101 T102 H103 G109T89-L105 HydrophobicContact CG2-CD1 4.35Å; T89-L105 HydrophobicContact CG2-CD2 3.75Å; L92-L105 HydrophobicContact CB-CD2 3.92Å; L92-L105 HydrophobicContact CD1-CD2 3.67Å; L92-L105 HydrophobicContact CG-CD2 4.42Å; I101-L105 HydrophobicContact CG2-CD1 4Å; I101-L105 HydrophobicContact CG2-CG 4.25Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 3.03Å; T102-L105 PolarHBondContact O-N 2.95Å; H103-L105 PolarHBondContact O-N 3.15Å; L105-G109 WeakPolarHBondContact O-CA 3.39Å; L105-G109 PolarHBondContact O-N 3.02Å
106D95.6Very high95.3Very high97 Ų9749.7 Ų49.752%0.51927%0.267SS..Hα-helixtrans-67.1-41.3178.5-73.1-19.6000111T102 H103 K111T102-D106 WeakPolarHBondContact O-CB 3.49Å; T102-D106 VanDerWaalsContact O-CG 3.26Å; T102-D106 PolarHBondContact O-N 2.83Å; H103-D106 PolarHBondContact O-N 3.28Å; D106-K111 WeakPolarHBondContact O-CE 3.37Å; D106-K111 PolarHBondContact O-NZ 2.95Å
107T96.3Very high95.2Very high11 Ų1149.8 Ų49.87%0.06727%0.268CS..Hα-helixtrans-78.9-52.3-175.8-64.40000112.4N53 F56 H103 E168N53-T107 PolarHBondContact ND2-O 3.05Å; F56-T107 HydrophobicContact CD1-CG2 3.76Å; F56-T107 HydrophobicContact CD2-CG2 3.94Å; F56-T107 VanDerWaalsContact CD2-O 3.32Å; F56-T107 WeakPolarHBondContact CD2-O 3.33Å; F56-T107 HydrophobicContact CE1-CG2 3.64Å; F56-T107 HydrophobicContact CE2-CG2 3.84Å; F56-T107 WeakPolarHBondContact CE2-O 3.12Å; F56-T107 HydrophobicContact CG-CG2 3.91Å; F56-T107 HydrophobicContact CZ-CG2 3.69Å; H103-T107 PolarHBondContact NE2-OG1 3.17Å; H103-T107 VanDerWaalsContact O-CB 3.28Å; H103-T107 WeakPolarHBondContact O-CB 3.37Å; H103-T107 PolarHBondContact O-N 3.37Å; H103-T107 PolarHBondContact O-OG1 2.77Å; H103-T107 VanDerWaalsContact O-OG1 3.11Å; T107-E168 HydrophobicContact CG2-CG 4.14Å
108F97.5Very high95.3Very high0 Ų048.4 Ų48.40%026%0.259CS..Hα-helixtrans-95.5-15.2-170.8-61.8-86.5000113.2I52 N53 F56 L92 L95 S96 A104 E168 Y169I52-F108 CarbonylContact C-O 3.53Å; I52-F108 WeakPolarHBondContact CA-O 3.48Å; N53-F108 PolarHBondContact N-O 2.99Å; F56-F108 HydrophobicContact CB-CD1 3.8Å; F56-F108 HydrophobicContact CB-CE1 3.64Å; F56-F108 HydrophobicContact CG-CE1 4.4Å; L92-F108 HydrophobicContact CD2-CB 4.13Å; L92-F108 WeakPolarHBondContact CD2-O 3.13Å; L95-F108 HydrophobicContact CB-CB 4.31Å; L95-F108 HydrophobicContact CB-CD1 3.61Å; L95-F108 HydrophobicContact CB-CD2 4.23Å; L95-F108 HydrophobicContact CB-CE1 3.92Å; L95-F108 HydrophobicContact CB-CG 3.78Å; L95-F108 HydrophobicContact CB-CZ 4.38Å; L95-F108 HydrophobicContact CD1-CB 4.02Å; L95-F108 HydrophobicContact CD1-CD1 4.04Å; L95-F108 HydrophobicContact CD1-CG 4.25Å; L95-F108 HydrophobicContact CG-CD1 4.35Å; S96-F108 VanDerWaalsContact CA-CE2 3.46Å; A104-F108 WeakPolarHBondContact O-CB 3.39Å; A104-F108 PolarHBondContact O-N 2.86Å; F108-E168 HydrophobicContact CE2-CG 4.4Å; F108-E168 HydrophobicContact CZ-CG 3.97Å; F108-Y169 HydrophobicContact CE1-CE2 4.35Å; F108-Y169 WeakPolarHBondContact CE1-OH 3.47Å; F108-Y169 HydrophobicContact CZ-CE2 4.26Å; F108-Y169 AromaticContact CZ-CZ 3.96Å; F108-Y169 WeakPolarHBondContact CZ-OH 3.49Å
109G97.1Very high95.5Very high4 Ų446.3 Ų46.34%0.04125%0.247CC..BIsolated β-bridgetrans-84.4175.6177.200000113.9N53 L105 K111N53-G109 WeakPolarHBondContact CB-O 3.12Å; L105-G109 WeakPolarHBondContact O-CA 3.39Å; L105-G109 PolarHBondContact O-N 3.02Å; G109-K111 PolarHBondContact O-N 2.75Å
110L96Very high95.8Very high17 Ų1740.2 Ų40.29%0.08922%0.224CC..  trans-66.7127.2175.3-177.167.5000111.9A29 I32 Q33 I36 F51 T114 L117A29-L110 HydrophobicContact CB-CD1 3.97Å; I32-L110 HydrophobicContact CB-CD2 3.83Å; I32-L110 HydrophobicContact CG2-CD2 3.43Å; I32-L110 VanDerWaalsContact CG2-CD2 3.43Å; Q33-L110 HydrophobicContact CB-CD2 4.13Å; Q33-L110 PolarHBondContact NE2-O 2.73Å; I36-L110 HydrophobicContact CD1-CD2 4.25Å; F51-L110 HydrophobicContact CB-CB 3.85Å; F51-L110 HydrophobicContact CB-CD2 4.49Å; F51-L110 HydrophobicContact CD1-CD2 4.43Å; F51-L110 HydrophobicContact CG-CD2 4.42Å; L110-T114 HydrophobicContact CD1-CG2 3.93Å; L110-L117 HydrophobicContact CD1-CD2 3.69Å
111K94.4Very high95.8Very high77 Ų7737.5 Ų37.534%0.33521%0.206SC..  trans-105.1154.3167.9-60.3-179.4-178.31780110.3A29 D106 G109 S113 T114A29-K111 WeakPolarHBondContact CB-O 3.49Å; D106-K111 WeakPolarHBondContact O-CE 3.37Å; D106-K111 PolarHBondContact O-NZ 2.95Å; G109-K111 PolarHBondContact O-N 2.75Å; K111-S113 PolarHBondContact O-N 3.47Å; K111-T114 PolarHBondContact N-OG1 3.47Å; K111-T114 VanDerWaalsContact O-CB 3.27Å; K111-T114 WeakPolarHBondContact O-CB 3.36Å; K111-T114 PolarHBondContact O-N 2.86Å; K111-T114 PolarHBondContact O-OG1 3.23Å; K111-T114 VanDerWaalsContact O-OG1 3.12Å
112A94.1Very high95.9Very high51 Ų5134.5 Ų34.542%0.42119%0.19SC..THydrogen-bonded Turntrans-52.8-28.5169.900000113.4D30D30-A112 HydrophobicContact CB-CB 4.1Å
113S94.6Very high95.8Very high86 Ų8630 Ų3060%0.60116%0.163SC*.THydrogen-bonded Turntrans-88-6.8178.561.80000115.1K111 K115K111-S113 PolarHBondContact O-N 3.47Å; S113-K115 PolarHBondContact O-N 2.94Å
114T95.1Very high95.5Very high4 Ų428.2 Ų28.23%0.02516%0.156CC..  trans-60.8127.5-173.8-64.60000111.3A29 L110 K111 E116 L117A29-T114 WeakPolarHBondContact CB-O 3.44Å; L110-T114 HydrophobicContact CD1-CG2 3.93Å; K111-T114 PolarHBondContact N-OG1 3.47Å; K111-T114 VanDerWaalsContact O-CB 3.27Å; K111-T114 WeakPolarHBondContact O-CB 3.36Å; K111-T114 PolarHBondContact O-N 2.86Å; K111-T114 PolarHBondContact O-OG1 3.23Å; K111-T114 VanDerWaalsContact O-OG1 3.12Å; T114-E116 WeakPolarHBondContact CG2-O 3.09Å; T114-L117 HydrophobicContact CG2-CB 3.85Å; T114-L117 HydrophobicContact CG2-CD2 4.31Å
115K95.2Very high95Very high115 Ų11529.9 Ų29.950%0.517%0.167SC..SBendtrans-109.5-25178.9-62-52.7-176.7-171.90113.6C24 N25 V26 S113C24-K115 CarbonylContact C-O 3.53Å; C24-K115 WeakPolarHBondContact CA-O 3.37Å; N25-K115 PolarHBondContact N-O 3.32Å; V26-K115 PolarHBondContact N-O 3.5Å; V26-K115 WeakPolarHBondContact O-CD 3.29Å; V26-K115 PolarHBondContact O-NZ 3.49Å; S113-K115 PolarHBondContact O-N 2.94Å
116E94.6Very high94.4Very high44 Ų4433.4 Ų33.421%0.20619%0.186CC..SBendtrans-127.6133.2173.5-57.9-171.1-170.200108.8W23 C24 S54 T114 K160W23-E116 CarbonylContact O-C 3.46Å; W23-E116 WeakPolarHBondContact O-CA 3.29Å; C24-E116 HydrophobicContact CB-CG 3.98Å; S54-E116 WeakPolarHBondContact OG-CB 3.38Å; S54-E116 PolarHBondContact OG-O 3.5Å; T114-E116 WeakPolarHBondContact CG2-O 3.09Å; E116-K160 IonicContact OE1-NZ 2.78Å; E116-K160 PolarHBondContact OE1-NZ 3.04Å; E116-K160 IonicContact OE2-NZ 3.85Å; E116-K160 PolarHBondContact OE2-NZ 3.4Å
117L95.3Very high93.5Very high1 Ų130.7 Ų30.71%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-149.4157.3-177.965.285000110.9W23 V26 F51 I52 S54 L110 T114 V119W23-L117 HydrophobicContact CB-CD1 4.11Å; W23-L117 HydrophobicContact CB-CG 4.21Å; W23-L117 HydrophobicContact CG-CD1 4.26Å; W23-L117 PolarHBondContact N-O 2.75Å; W23-L117 PolarHBondContact O-N 2.89Å; V26-L117 HydrophobicContact CB-CD2 4.41Å; V26-L117 HydrophobicContact CG1-CD2 4.09Å; V26-L117 HydrophobicContact CG2-CD2 3.94Å; V26-L117 HydrophobicContact CG2-CG 4.11Å; F51-L117 HydrophobicContact CD1-CD1 4.12Å; F51-L117 HydrophobicContact CD1-CD2 4.42Å; I52-L117 CarbonylContact O-C 3.59Å; I52-L117 WeakPolarHBondContact O-CA 3.37Å; S54-L117 PolarHBondContact OG-N 3.14Å; L110-L117 HydrophobicContact CD1-CD2 3.69Å; T114-L117 HydrophobicContact CG2-CB 3.85Å; T114-L117 HydrophobicContact CG2-CD2 4.31Å; L117-V119 HydrophobicContact CD1-CB 4.43Å; L117-V119 HydrophobicContact CD1-CG2 3.2Å
118I96.4Very high92.5Very high0 Ų030.4 Ų30.40%017%0.171CC..EExtended strand (participates in β ladder)trans-106.9126.5168.8-64.1159000107F20 S21 L22 I52 I57 I63 L155F20-I118 HydrophobicContact CB-CG2 4.35Å; S21-I118 WeakPolarHBondContact O-CA 3.43Å; L22-I118 HydrophobicContact CD1-CD1 4.47Å; L22-I118 HydrophobicContact CD1-CG1 3.7Å; I52-I118 HydrophobicContact CB-CB 4.25Å; I52-I118 PolarHBondContact N-O 3.1Å; I52-I118 PolarHBondContact O-N 2.9Å; I57-I118 HydrophobicContact CB-CD1 4.27Å; I57-I118 HydrophobicContact CG1-CD1 4.19Å; I57-I118 HydrophobicContact CG2-CD1 4.17Å; I63-I118 HydrophobicContact CD1-CD1 3.5Å; I63-I118 VanDerWaalsContact CD1-CD1 3.5Å; I63-I118 HydrophobicContact CD1-CG2 4.14Å; I118-L155 HydrophobicContact CD1-CD1 4.01Å; I118-L155 HydrophobicContact CD1-CD2 3.74Å; I118-L155 HydrophobicContact CG1-CD1 4.16Å; I118-L155 HydrophobicContact CG1-CD2 4.02Å; I118-L155 HydrophobicContact CG2-CD1 4.3Å
119V97Very high91.3Very high0 Ų035.2 Ų35.20%019%0.194CC..EExtended strand (participates in β ladder)trans-98.8127.9169.6-1720000107.8W5 F20 S21 V49 F51 L117 I142 I146W5-V119 HydrophobicContact CH2-CB 4.25Å; W5-V119 HydrophobicContact CH2-CG1 4.17Å; W5-V119 HydrophobicContact CZ3-CB 4.45Å; W5-V119 HydrophobicContact CZ3-CG1 4.5Å; F20-V119 CarbonylContact C-O 3.57Å; F20-V119 WeakPolarHBondContact CA-O 3.25Å; F20-V119 WeakPolarHBondContact CB-O 3.34Å; S21-V119 PolarHBondContact N-O 2.91Å; S21-V119 PolarHBondContact O-N 3.01Å; V49-V119 HydrophobicContact CG2-CG1 3.92Å; F51-V119 HydrophobicContact CD1-CG2 3.93Å; F51-V119 HydrophobicContact CE1-CG1 4.14Å; F51-V119 HydrophobicContact CE1-CG2 3.71Å; F51-V119 HydrophobicContact CZ-CG1 4.25Å; L117-V119 HydrophobicContact CD1-CB 4.43Å; L117-V119 HydrophobicContact CD1-CG2 3.2Å; V119-I142 HydrophobicContact CG1-CG2 4.08Å; V119-I146 HydrophobicContact CG2-CD1 3.54Å
120G96.8Very high89.8Confident0 Ų036.7 Ų36.70%020%0.202CC..EExtended strand (participates in β ladder)trans-121.7143.2176.400000111.5H19 V49 V50H19-G120 CarbonylContact O-C 3.48Å; H19-G120 WeakPolarHBondContact O-CA 3.38Å; V49-G120 CarbonylContact C-O 3.58Å; V49-G120 WeakPolarHBondContact CA-O 3.5Å; V50-G120 PolarHBondContact N-O 3.15Å; V50-G120 PolarHBondContact O-N 2.91Å
121I95.9Very high88.6Confident0 Ų042.8 Ų42.80%024%0.235CC..EExtended strand (participates in β ladder)trans-128.6117.5176.7-58160.4000107.3W5 F18 H19 A47 V48 V49 Y123 Y138 L139 I142W5-I121 HydrophobicContact CH2-CD1 4.04Å; W5-I121 HydrophobicContact CZ3-CD1 3.97Å; F18-I121 CarbonylContact C-O 3.4Å; F18-I121 WeakPolarHBondContact CA-O 3.23Å; H19-I121 HydrophobicContact CB-CB 4.44Å; H19-I121 PolarHBondContact N-O 3.09Å; H19-I121 PolarHBondContact O-N 3.25Å; A47-I121 HydrophobicContact CB-CG2 4.27Å; V48-I121 CarbonylContact O-C 3.54Å; V48-I121 WeakPolarHBondContact O-CA 3.35Å; V49-I121 HydrophobicContact CG2-CG1 4.38Å; I121-Y123 HydrophobicContact CG2-CD1 4.12Å; I121-Y138 HydrophobicContact CD1-CD1 4.36Å; I121-Y138 HydrophobicContact CD1-CE1 4.16Å; I121-Y138 HydrophobicContact CG1-CE1 4.39Å; I121-Y138 HydrophobicContact CG2-CD1 4.49Å; I121-Y138 HydrophobicContact CG2-CE1 3.98Å; I121-L139 HydrophobicContact CD1-CD2 3.25Å; I121-I142 HydrophobicContact CD1-CD1 3.41Å; I121-I142 VanDerWaalsContact CD1-CD1 3.41Å; I121-I142 HydrophobicContact CG1-CD1 3.92Å
122I95.6Very high88.1Confident1 Ų141.5 Ų41.51%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-110.7131.6-178.6-60.9164.8000108.9F16 R17 F18 A47 V48 V67 L71 L87 I91F16-I122 HydrophobicContact CB-CG2 4.46Å; F16-I122 HydrophobicContact CD1-CG2 3.94Å; R17-I122 WeakPolarHBondContact O-CA 3.47Å; F18-I122 HydrophobicContact CB-CG1 4.34Å; F18-I122 HydrophobicContact CD2-CD1 3.89Å; F18-I122 HydrophobicContact CD2-CG1 3.26Å; F18-I122 HydrophobicContact CE2-CD1 4.04Å; F18-I122 HydrophobicContact CE2-CG1 3.8Å; F18-I122 HydrophobicContact CG-CG1 4.2Å; A47-I122 CarbonylContact C-O 3.52Å; A47-I122 VanDerWaalsContact CA-O 3.32Å; A47-I122 WeakPolarHBondContact CA-O 3.49Å; V48-I122 PolarHBondContact N-O 3.4Å; V48-I122 PolarHBondContact O-N 2.91Å; V67-I122 HydrophobicContact CG1-CD1 3.96Å; V67-I122 HydrophobicContact CG2-CD1 4.14Å; L71-I122 HydrophobicContact CD2-CG2 4.23Å; L87-I122 HydrophobicContact CD2-CB 4.42Å; L87-I122 HydrophobicContact CD2-CG2 3.91Å; I91-I122 HydrophobicContact CD1-CD1 3.03Å; I91-I122 HydrophobicContact CD1-CG1 4.49Å; I91-I122 HydrophobicContact CG1-CD1 4.21Å
123Y93.4Very high87.8Confident1 Ų142.6 Ų42.60%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-155.8147.6178.759.4-75.3000110.2F16 R17 H19 I121 V127 C128 L135F16-Y123 WeakPolarHBondContact CA-O 3.48Å; R17-Y123 HydrophobicContact CB-CE1 3.82Å; R17-Y123 HydrophobicContact CB-CE2 4.15Å; R17-Y123 WeakPolarHBondContact CD-OH 3.31Å; R17-Y123 PolarHBondContact N-O 3.37Å; R17-Y123 PolarHBondContact O-N 2.92Å; R17-Y123 VanDerWaalsContact O-N 3.14Å; H19-Y123 AromaticContact CD2-CE1 3.35Å; H19-Y123 WeakPolarHBondContact CD2-CE1 3.31Å; H19-Y123 AromaticContact CD2-CZ 3.49Å; H19-Y123 VanDerWaalsContact CD2-CZ 3.49Å; H19-Y123 PolarHBondContact CD2-OH 3.08Å; H19-Y123 AromaticContact NE2-CZ 3.82Å; H19-Y123 PolarHBondContact NE2-OH 3.49Å; I121-Y123 HydrophobicContact CG2-CD1 4.12Å; Y123-V127 HydrophobicContact CD2-CB 4.45Å; Y123-C128 HydrophobicContact CD2-CB 4.18Å; Y123-C128 HydrophobicContact CE2-CB 3.91Å; Y123-C128 WeakPolarHBondContact CE2-O 3.4Å; Y123-L135 HydrophobicContact CE1-CD1 4.41Å; Y123-L135 WeakPolarHBondContact OH-CD2 3.42Å
124P91.8Very high87.6Confident25 Ų2542.3 Ų42.316%0.16224%0.235CC..EExtended strand (participates in β ladder)trans-59.1146.1170.6-2635.5000112.7T14 N15 F16 N46 D126 V127T14-P124 HydrophobicContact CG2-CB 4.23Å; N15-P124 CarbonylContact O-C 3.39Å; N15-P124 WeakPolarHBondContact O-CA 3.48Å; F16-P124 HydrophobicContact CD1-CG 4.08Å; F16-P124 HydrophobicContact CE1-CB 4.42Å; F16-P124 HydrophobicContact CE1-CG 3.66Å; F16-P124 HydrophobicContact CZ-CG 4.37Å; N46-P124 VanDerWaalsContact O-CD 3.28Å; N46-P124 WeakPolarHBondContact O-CD 3.23Å; P124-D126 WeakPolarHBondContact CB-OD1 3.28Å; P124-D126 PolarHBondContact O-N 3.28Å; P124-V127 HydrophobicContact CB-CG2 4Å; P124-V127 HydrophobicContact CG-CG2 4.15Å; P124-V127 WeakPolarHBondContact O-CB 3.33Å; P124-V127 PolarHBondContact O-N 3.5Å; P124-V127 VanDerWaalsContact O-N 3.1Å
125T86.9Confident87.3Confident36 Ų3642.1 Ų42.122%0.22123%0.234CC..THydrogen-bonded Turntrans-65.4-17.7-177.553.70000115.1N15 R17 Q129N15-T125 HydrophobicContact CB-CG2 3.66Å; N15-T125 WeakPolarHBondContact CB-OG1 3.42Å; N15-T125 PolarHBondContact O-N 3.2Å; N15-T125 PolarHBondContact O-OG1 3.41Å; R17-T125 HydrophobicContact CG-CG2 3.81Å; T125-Q129 PolarHBondContact O-NE2 3.45Å; T125-Q129 VanDerWaalsContact O-NE2 3.12Å
126D83.5Confident87.1Confident132 Ų13240.6 Ų40.671%0.70623%0.231SC*.THydrogen-bonded Turntrans-82.9-13.4176.363.6-33.2000112.9P124P124-D126 WeakPolarHBondContact CB-OD1 3.28Å; P124-D126 PolarHBondContact O-N 3.28Å
127V76.6Confident87Confident39 Ų3940.9 Ų40.924%0.23624%0.241CC..THydrogen-bonded Turntrans-79.2-48.4179.91740000112.1N46 Y123 P124N46-V127 HydrophobicContact CB-CG1 4.18Å; N46-V127 HydrophobicContact CB-CG2 3.57Å; Y123-V127 HydrophobicContact CD2-CB 4.45Å; P124-V127 HydrophobicContact CB-CG2 4Å; P124-V127 HydrophobicContact CG-CG2 4.15Å; P124-V127 WeakPolarHBondContact O-CB 3.33Å; P124-V127 PolarHBondContact O-N 3.5Å; P124-V127 VanDerWaalsContact O-N 3.1Å
128C75Confident87Confident6 Ų641.2 Ų41.24%0.04124%0.242CC..  trans-144.6142.8179.6-66.90000110.7R17 Y123 D132 L135R17-C128 PolarHBondContact NH1-O 3.19Å; Y123-C128 HydrophobicContact CD2-CB 4.18Å; Y123-C128 HydrophobicContact CE2-CB 3.91Å; Y123-C128 WeakPolarHBondContact CE2-O 3.4Å; C128-D132 HydrophobicContact CB-CB 4.09Å; C128-L135 HydrophobicContact CB-CB 4.04Å; C128-L135 HydrophobicContact CB-CD2 4.4Å
129Q72.4Confident86.8Confident100 Ų10041.6 Ų41.647%0.46725%0.245SC..  trans-80.8159161.6-62.2-51.3-34.700110.7R17 T125 D131 D132 L135R17-Q129 VanDerWaalsContact NH1-OE1 3.12Å; T125-Q129 PolarHBondContact O-NE2 3.45Å; T125-Q129 VanDerWaalsContact O-NE2 3.12Å; Q129-D131 PolarHBondContact O-N 3.1Å; Q129-D132 WeakPolarHBondContact O-CB 3.33Å; Q129-D132 PolarHBondContact O-N 3.34Å; Q129-L135 WeakPolarHBondContact O-CD2 3.18Å
130P64.4Low86.7Confident35 Ų3543.6 Ų43.623%0.22726%0.259CS..THydrogen-bonded Turntrans-63-29.7-175.6-20.936.6000112.3
131D71.8Confident86.6Confident145 Ų14548.4 Ų48.478%0.77528%0.281SS*.THydrogen-bonded Turntrans-97.114.9177.3-55.8-38.7000112.7Q129 A133Q129-D131 PolarHBondContact O-N 3.1Å; D131-A133 PolarHBondContact O-N 3.48Å
132D82.9Confident86.6Confident50 Ų5048.4 Ų48.427%0.26728%0.281SS..  trans-67.4126.2177.4-167.5-36.7000109.9C128 Q129 V134 L135 L136C128-D132 HydrophobicContact CB-CB 4.09Å; Q129-D132 WeakPolarHBondContact O-CB 3.33Å; Q129-D132 PolarHBondContact O-N 3.34Å; D132-V134 PolarHBondContact O-N 2.99Å; D132-V134 VanDerWaalsContact O-N 3.13Å; D132-V134 WeakPolarHBondContact OD1-CB 3.42Å; D132-V134 WeakPolarHBondContact OD1-CG2 3.46Å; D132-V134 PolarHBondContact OD1-N 3.17Å; D132-L135 HydrophobicContact CB-CB 4.21Å; D132-L135 WeakPolarHBondContact O-CB 3.05Å; D132-L135 PolarHBondContact O-N 3.01Å; D132-L136 WeakPolarHBondContact O-CG 3.48Å; D132-L136 PolarHBondContact O-N 3.36Å
133A88.8Confident86.5Confident74 Ų7449.8 Ų49.861%0.61229%0.287SS*.Hα-helixtrans-56.2-30.8178.900000112.5D131 A137D131-A133 PolarHBondContact O-N 3.48Å; A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.3Å
134V89.9Confident86.6Confident80 Ų8055.6 Ų55.649%0.48532%0.318SS..Hα-helixtrans-66.3-47.2176.11790000110.6L44 D132 A137 Y138L44-V134 HydrophobicContact CD1-CG1 3.6Å; D132-V134 PolarHBondContact O-N 2.99Å; D132-V134 VanDerWaalsContact O-N 3.13Å; D132-V134 WeakPolarHBondContact OD1-CB 3.42Å; D132-V134 WeakPolarHBondContact OD1-CG2 3.46Å; D132-V134 PolarHBondContact OD1-N 3.17Å; V134-A137 PolarHBondContact O-N 2.84Å; V134-Y138 WeakPolarHBondContact O-CB 3.39Å; V134-Y138 PolarHBondContact O-N 2.94Å
135L90.1Very high86.8Confident0 Ų055.5 Ų55.50%032%0.318CS..Hα-helixtrans-63.7-46.8177.117763000110.7H19 Y123 C128 Q129 D132 A137 Y138 L139H19-L135 WeakPolarHBondContact NE2-CD2 2.94Å; Y123-L135 HydrophobicContact CE1-CD1 4.41Å; Y123-L135 WeakPolarHBondContact OH-CD2 3.42Å; C128-L135 HydrophobicContact CB-CB 4.04Å; C128-L135 HydrophobicContact CB-CD2 4.4Å; Q129-L135 WeakPolarHBondContact O-CD2 3.18Å; D132-L135 HydrophobicContact CB-CB 4.21Å; D132-L135 WeakPolarHBondContact O-CB 3.05Å; D132-L135 PolarHBondContact O-N 3.01Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.02Å; L135-Y138 WeakPolarHBondContact O-CB 3.1Å; L135-Y138 PolarHBondContact O-N 3.48Å; L135-Y138 VanDerWaalsContact O-N 3.1Å; L135-L139 HydrophobicContact CD1-CD1 4.44Å; L135-L139 HydrophobicContact CD1-CD2 4.43Å; L135-L139 HydrophobicContact CD1-CG 4.18Å; L135-L139 HydrophobicContact CG-CD1 4.16Å; L135-L139 HydrophobicContact CG-CG 4.32Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.34Å
136L90.5Very high87.2Confident84 Ų8454.2 Ų54.244%0.4431%0.309SS..Hα-helixtrans-60.3-40.4178.2-66.5176.6000112.4D132 L139 S140D132-L136 WeakPolarHBondContact O-CG 3.48Å; D132-L136 PolarHBondContact O-N 3.36Å; L136-L139 HydrophobicContact CD2-CD1 4.48Å; L136-S140 WeakPolarHBondContact O-CB 3.35Å; L136-S140 PolarHBondContact O-N 2.85Å
137A92.6Very high87.9Confident50 Ų5053.3 Ų53.341%0.41330%0.301SS..Hα-helixtrans-64.8-40174.600000111.8A133 V134 L135 S140 Q141A133-A137 VanDerWaalsContact O-CB 3.27Å; A133-A137 WeakPolarHBondContact O-CB 3.4Å; A133-A137 PolarHBondContact O-N 3.3Å; V134-A137 PolarHBondContact O-N 2.84Å; L135-A137 VanDerWaalsContact C-N 3.32Å; L135-A137 PolarHBondContact O-N 3.02Å; A137-S140 PolarHBondContact O-N 3.18Å; A137-Q141 WeakPolarHBondContact O-CG 3.47Å; A137-Q141 PolarHBondContact O-N 3.45Å
138Y94Very high88.8Confident7 Ų752.9 Ų52.93%0.02730%0.304CS..Hα-helixtrans-67.1-43.9177-177.8-123.7000112.5P42 L44 I121 V134 L135 S140 Q141 I142P42-Y138 HydrophobicContact CB-CE2 4.04Å; P42-Y138 PolarHBondContact O-OH 2.79Å; L44-Y138 HydrophobicContact CB-CD1 3.69Å; L44-Y138 HydrophobicContact CB-CD2 3.91Å; L44-Y138 HydrophobicContact CB-CE1 3.69Å; L44-Y138 HydrophobicContact CB-CE2 3.93Å; L44-Y138 HydrophobicContact CB-CG 3.78Å; L44-Y138 HydrophobicContact CD2-CD1 3.76Å; L44-Y138 HydrophobicContact CD2-CE1 4.36Å; L44-Y138 HydrophobicContact CD2-CG 4.12Å; L44-Y138 HydrophobicContact CG-CD1 4.36Å; L44-Y138 HydrophobicContact CG-CG 4.48Å; I121-Y138 HydrophobicContact CD1-CD1 4.36Å; I121-Y138 HydrophobicContact CD1-CE1 4.16Å; I121-Y138 HydrophobicContact CG1-CE1 4.39Å; I121-Y138 HydrophobicContact CG2-CD1 4.49Å; I121-Y138 HydrophobicContact CG2-CE1 3.98Å; V134-Y138 WeakPolarHBondContact O-CB 3.39Å; V134-Y138 PolarHBondContact O-N 2.94Å; L135-Y138 WeakPolarHBondContact O-CB 3.1Å; L135-Y138 PolarHBondContact O-N 3.48Å; L135-Y138 VanDerWaalsContact O-N 3.1Å; Y138-S140 VanDerWaalsContact C-N 3.3Å; Y138-S140 PolarHBondContact O-N 3.12Å; Y138-Q141 WeakPolarHBondContact O-CB 3.2Å; Y138-Q141 PolarHBondContact O-N 3.12Å; Y138-Q141 VanDerWaalsContact O-N 3.14Å; Y138-I142 HydrophobicContact CD1-CD1 4.07Å; Y138-I142 HydrophobicContact CE1-CD1 3.6Å; Y138-I142 HydrophobicContact CE2-CD1 4.08Å; Y138-I142 HydrophobicContact CE2-CG1 4.32Å; Y138-I142 PolarHBondContact O-N 2.69Å
139L93.8Very high89.7Confident9 Ų956.3 Ų56.35%0.04733%0.325CS..Hα-helixtrans-57.2-45.3173-66.4177000110.9W5 I121 L135 L136 Q141 I142 E143W5-L139 HydrophobicContact CD2-CD2 3.78Å; W5-L139 HydrophobicContact CE3-CD2 3.98Å; W5-L139 HydrophobicContact CG-CD1 4.23Å; W5-L139 HydrophobicContact CG-CD2 4.3Å; W5-L139 HydrophobicContact CH2-CD2 4.12Å; W5-L139 HydrophobicContact CZ2-CD2 3.93Å; W5-L139 HydrophobicContact CZ3-CD2 4.14Å; I121-L139 HydrophobicContact CD1-CD2 3.25Å; L135-L139 HydrophobicContact CD1-CD1 4.44Å; L135-L139 HydrophobicContact CD1-CD2 4.43Å; L135-L139 HydrophobicContact CD1-CG 4.18Å; L135-L139 HydrophobicContact CG-CD1 4.16Å; L135-L139 HydrophobicContact CG-CG 4.32Å; L135-L139 VanDerWaalsContact O-CG 3.29Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.34Å; L136-L139 HydrophobicContact CD2-CD1 4.48Å; L139-Q141 VanDerWaalsContact C-N 3.34Å; L139-Q141 PolarHBondContact O-N 3.07Å; L139-I142 PolarHBondContact O-N 2.65Å; L139-E143 WeakPolarHBondContact O-CG 3.5Å; L139-E143 PolarHBondContact O-N 3.23Å
140S93.6Very high90.8Very high42 Ų4253.2 Ų53.229%0.29431%0.311SS..Hα-helixtrans-62.9-37.4176.5-171.50000112.6L136 A137 Y138 E143 N144L136-S140 WeakPolarHBondContact O-CB 3.35Å; L136-S140 PolarHBondContact O-N 2.85Å; A137-S140 PolarHBondContact O-N 3.18Å; Y138-S140 VanDerWaalsContact C-N 3.3Å; Y138-S140 PolarHBondContact O-N 3.12Å; S140-E143 PolarHBondContact O-N 3.4Å; S140-N144 WeakPolarHBondContact O-CB 3.49Å; S140-N144 VanDerWaalsContact O-CG 3.22Å; S140-N144 PolarHBondContact O-N 2.97Å; S140-N144 PolarHBondContact O-ND2 2.8Å
141Q94.8Very high92.1Very high100 Ų10053.9 Ų53.947%0.46731%0.312SS..Hα-helixtrans-63.7-41.9174-73.317636.900112.3A137 Y138 L139 N144 T145A137-Q141 WeakPolarHBondContact O-CG 3.47Å; A137-Q141 PolarHBondContact O-N 3.45Å; Y138-Q141 WeakPolarHBondContact O-CB 3.2Å; Y138-Q141 PolarHBondContact O-N 3.12Å; Y138-Q141 VanDerWaalsContact O-N 3.14Å; L139-Q141 VanDerWaalsContact C-N 3.34Å; L139-Q141 PolarHBondContact O-N 3.07Å; Q141-N144 PolarHBondContact O-N 2.59Å; Q141-T145 PolarHBondContact O-N 3.13Å; Q141-T145 VanDerWaalsContact O-N 3.15Å; Q141-T145 PolarHBondContact O-OG1 3.4Å
142I95.5Very high92.7Very high0 Ų051.9 Ų51.90%031%0.305CS..Hα-helixtrans-64.4-47.6175.8-70.5170.7000110.4W5 F41 V49 V119 I121 Y138 L139 N144 T145 I146W5-I142 HydrophobicContact CH2-CG2 4.1Å; W5-I142 HydrophobicContact CZ2-CG2 4.33Å; F41-I142 HydrophobicContact CE1-CG1 4.21Å; F41-I142 HydrophobicContact CZ-CG1 4.37Å; V49-I142 HydrophobicContact CG2-CD1 4.34Å; V119-I142 HydrophobicContact CG1-CG2 4.08Å; I121-I142 HydrophobicContact CD1-CD1 3.41Å; I121-I142 VanDerWaalsContact CD1-CD1 3.41Å; I121-I142 HydrophobicContact CG1-CD1 3.92Å; Y138-I142 HydrophobicContact CD1-CD1 4.07Å; Y138-I142 HydrophobicContact CE1-CD1 3.6Å; Y138-I142 HydrophobicContact CE2-CD1 4.08Å; Y138-I142 HydrophobicContact CE2-CG1 4.32Å; Y138-I142 PolarHBondContact O-N 2.69Å; L139-I142 PolarHBondContact O-N 2.65Å; I142-N144 VanDerWaalsContact C-N 3.3Å; I142-N144 PolarHBondContact O-N 3.03Å; I142-T145 WeakPolarHBondContact O-CB 3.49Å; I142-T145 PolarHBondContact O-N 3.43Å; I142-I146 HydrophobicContact CG2-CD1 3.78Å; I142-I146 WeakPolarHBondContact O-CG1 3.35Å; I142-I146 PolarHBondContact O-N 3.36Å
143E94.6Very high92.5Very high31 Ų3151.1 Ų51.115%0.14531%0.309CS..Hα-helixtrans-55.7-44.9177.4-74.4177.2-177.100111.9S3 W5 W23 L139 S140 T145 I146 M150S3-E143 WeakPolarHBondContact CB-OE1 3.4Å; W5-E143 HydrophobicContact CZ2-CG 4.11Å; W5-E143 PolarHBondContact NE1-OE1 3.11Å; W23-E143 HydrophobicContact CH2-CB 4.16Å; W23-E143 HydrophobicContact CH2-CG 4.15Å; W23-E143 HydrophobicContact CZ2-CB 4.45Å; W23-E143 HydrophobicContact CZ2-CG 4.04Å; L139-E143 WeakPolarHBondContact O-CG 3.5Å; L139-E143 PolarHBondContact O-N 3.23Å; S140-E143 PolarHBondContact O-N 3.4Å; E143-T145 PolarHBondContact O-N 2.98Å; E143-I146 PolarHBondContact O-N 2.79Å; E143-M150 HydrophobicContact CG-CE 3.79Å
144N94.8Very high92.2Very high122 Ų12250.2 Ų50.265%0.65230%0.299SS*.Hα-helixtrans-70-18.2178.5-71-41.6000113.4S140 Q141 I142S140-N144 WeakPolarHBondContact O-CB 3.49Å; S140-N144 VanDerWaalsContact O-CG 3.22Å; S140-N144 PolarHBondContact O-N 2.97Å; S140-N144 PolarHBondContact O-ND2 2.8Å; Q141-N144 PolarHBondContact O-N 2.59Å; I142-N144 VanDerWaalsContact C-N 3.3Å; I142-N144 PolarHBondContact O-N 3.03Å
145T95.9Very high92Very high24 Ų2446.6 Ų46.615%0.14728%0.276CS..Hα-helixtrans-83.8-26.4178-57.60000111.8N28 K35 F41 Q141 I142 E143N28-T145 PolarHBondContact ND2-O 3.06Å; K35-T145 HydrophobicContact CD-CG2 4.49Å; F41-T145 HydrophobicContact CD2-CG2 4.28Å; F41-T145 HydrophobicContact CE2-CG2 3.58Å; F41-T145 HydrophobicContact CZ-CG2 4.24Å; Q141-T145 PolarHBondContact O-N 3.13Å; Q141-T145 VanDerWaalsContact O-N 3.15Å; Q141-T145 PolarHBondContact O-OG1 3.4Å; I142-T145 WeakPolarHBondContact O-CB 3.49Å; I142-T145 PolarHBondContact O-N 3.43Å; E143-T145 PolarHBondContact O-N 2.98Å
146I96.1Very high91.8Very high9 Ų949.5 Ų49.55%0.04629%0.294CS..  trans-94.9114.5-175.3-58163.4000109.8W23 V26 I32 F51 V119 I142 E143 G148W23-I146 HydrophobicContact CD2-CB 4.31Å; W23-I146 HydrophobicContact CD2-CD1 4.15Å; W23-I146 HydrophobicContact CD2-CG2 3.75Å; W23-I146 HydrophobicContact CE3-CB 3.96Å; W23-I146 HydrophobicContact CE3-CG2 3.39Å; W23-I146 HydrophobicContact CG-CG2 4.31Å; W23-I146 HydrophobicContact CH2-CB 4.04Å; W23-I146 HydrophobicContact CH2-CD1 4.37Å; W23-I146 HydrophobicContact CH2-CG2 4.4Å; W23-I146 HydrophobicContact CZ2-CB 4.38Å; W23-I146 HydrophobicContact CZ2-CD1 3.88Å; W23-I146 HydrophobicContact CZ3-CB 3.81Å; W23-I146 HydrophobicContact CZ3-CG2 3.75Å; V26-I146 HydrophobicContact CG1-CG2 4.41Å; V26-I146 HydrophobicContact CG2-CG2 4.21Å; I32-I146 HydrophobicContact CD1-CB 4.44Å; I32-I146 HydrophobicContact CD1-CG1 3.99Å; I32-I146 HydrophobicContact CD1-CG2 4.38Å; F51-I146 HydrophobicContact CE1-CD1 4.31Å; V119-I146 HydrophobicContact CG2-CD1 3.54Å; I142-I146 HydrophobicContact CG2-CD1 3.78Å; I142-I146 WeakPolarHBondContact O-CG1 3.35Å; I142-I146 PolarHBondContact O-N 3.36Å; E143-I146 PolarHBondContact O-N 2.79Å; I146-G148 PolarHBondContact O-N 2.94Å; I146-G148 VanDerWaalsContact O-N 3.16Å
147Q97Very high91.6Very high113 Ų11351.4 Ų51.453%0.52830%0.301SS..  trans-87.485.3174.4-61178.111.200108.8V26 N27 N28V26-Q147 WeakPolarHBondContact CA-O 3.49Å; N27-Q147 PolarHBondContact N-O 3.04Å; N27-Q147 WeakPolarHBondContact OD1-CB 3.49Å; N27-Q147 PolarHBondContact OD1-O 3.43Å; N27-Q147 PolarHBondContact OD1-OE1 3.29Å; N28-Q147 HydrophobicContact CB-CB 4.01Å; N28-Q147 HydrophobicContact CB-CG 4.11Å; N28-Q147 WeakPolarHBondContact OD1-CB 3.37Å; N28-Q147 PolarHBondContact OD1-N 3.43Å
148G96.1Very high91.2Very high30 Ų3050.5 Ų50.531%0.30929%0.289SS..SBendtrans-164.5-165.8179.800000111.4C24 I146C24-G148 WeakPolarHBondContact O-CA 3.48Å; I146-G148 PolarHBondContact O-N 2.94Å; I146-G148 VanDerWaalsContact O-N 3.16Å
149T94.8Very high90.5Very high78 Ų7855.7 Ų55.748%0.47932%0.321SS..EExtended strand (participates in β ladder)trans-118121.6176-57.10000109.6W23 C24 I151W23-T149 WeakPolarHBondContact CA-O 3.43Å; C24-T149 PolarHBondContact N-O 2.92Å; C24-T149 PolarHBondContact O-N 2.98Å; T149-I151 PolarHBondContact O-N 3.1Å
150M94.6Very high90.2Very high35 Ų3560 Ų6017%0.17234%0.34CS..EExtended strand (participates in β ladder)trans-70126.2171.1-171.8-174.3-67.500109.7V4 W5 L22 W23 E143V4-M150 HydrophobicContact CB-CG 4.47Å; V4-M150 HydrophobicContact CB-SD 3.85Å; V4-M150 HydrophobicContact CG2-SD 4.12Å; V4-M150 PolarHBondContact N-SD 3.15Å; W5-M150 HydrophobicContact CZ2-CE 4.14Å; L22-M150 CarbonylContact O-C 3.52Å; L22-M150 WeakPolarHBondContact O-CA 3.47Å; W23-M150 HydrophobicContact CD2-CB 4.3Å; W23-M150 HydrophobicContact CE3-CB 4.35Å; W23-M150 HydrophobicContact CH2-CB 4.35Å; W23-M150 HydrophobicContact CH2-CE 4.03Å; W23-M150 HydrophobicContact CZ2-CB 4.29Å; W23-M150 HydrophobicContact CZ2-CE 3.35Å; W23-M150 HydrophobicContact CZ3-CB 4.38Å; E143-M150 HydrophobicContact CG-CE 3.79Å
151I91.5Very high90Very high49 Ų4961.4 Ų61.425%0.25134%0.344SS..EExtended strand (participates in β ladder)trans-88.8130.7-179.6-66.9168.2000109.8L22 C24 T149 G153L22-I151 HydrophobicContact CB-CB 4.28Å; L22-I151 HydrophobicContact CD2-CB 3.94Å; L22-I151 HydrophobicContact CD2-CD1 3.64Å; L22-I151 HydrophobicContact CD2-CG1 4.38Å; L22-I151 HydrophobicContact CD2-CG2 4.01Å; L22-I151 HydrophobicContact CG-CB 4.11Å; L22-I151 HydrophobicContact CG-CD1 3.86Å; L22-I151 HydrophobicContact CG-CG1 4.46Å; L22-I151 PolarHBondContact O-N 3.5Å; C24-I151 HydrophobicContact CB-CD1 3.49Å; C24-I151 VanDerWaalsContact CB-CD1 3.49Å; C24-I151 HydrophobicContact CB-CG1 4.15Å; C24-I151 VanDerWaalsContact SG-CD1 3.56Å; C24-I151 VanDerWaalsContact SG-CG1 3.59Å; T149-I151 PolarHBondContact O-N 3.1Å; I151-G153 VanDerWaalsContact CG2-N 3.31Å
152T85.7Confident89.9Confident103 Ų10358 Ų5863%0.63233%0.33SS*.  trans-79-20.6175.553.60000113.8V4 R6V4-T152 HydrophobicContact CB-CG2 4.39Å; V4-T152 HydrophobicContact CG1-CG2 4.17Å; V4-T152 HydrophobicContact CG2-CG2 3.43Å; V4-T152 VanDerWaalsContact CG2-CG2 3.43Å; R6-T152 PolarHBondContact NH2-O 3.23Å
153G78.6Confident89.7Confident34 Ų3462.5 Ų62.535%0.35135%0.354SS..SBendtrans-62.8164.1-175.300000114.3R6 I151R6-G153 PolarHBondContact NH2-O 3.32Å; I151-G153 VanDerWaalsContact CG2-N 3.31Å
154S82.5Confident89.7Confident55 Ų5564.1 Ų64.139%0.38537%0.366SS..  trans-69.7143.1-178.7-159.30000112.9T156S154-T156 WeakPolarHBondContact CB-OG1 3.48Å; S154-T156 PolarHBondContact O-N 2.89Å; S154-T156 WeakPolarHBondContact OG-CG2 3.31Å; S154-T156 PolarHBondContact OG-N 3.39Å; S154-T156 PolarHBondContact OG-OG1 3.26Å
155L84.2Confident89.8Confident3 Ų358.3 Ų58.32%0.01634%0.335CS..SBendtrans-81.913.7164.7-79.2-175.8000112.5F20 L22 D59 I60 I118 L158F20-L155 HydrophobicContact CD2-CD1 3.41Å; F20-L155 VanDerWaalsContact CD2-CD1 3.41Å; F20-L155 HydrophobicContact CE2-CD1 3.31Å; F20-L155 HydrophobicContact CE2-CG 4.2Å; F20-L155 HydrophobicContact CZ-CD1 4.41Å; L22-L155 HydrophobicContact CB-CD2 3.88Å; L22-L155 HydrophobicContact CB-CG 4.36Å; L22-L155 HydrophobicContact CD1-CD2 3.96Å; L22-L155 HydrophobicContact CD2-CD2 3.82Å; L22-L155 HydrophobicContact CG-CD2 4.07Å; D59-L155 CarbonylContact C-O 3.55Å; D59-L155 WeakPolarHBondContact CA-O 3.13Å; I60-L155 HydrophobicContact CB-CB 3.99Å; I60-L155 HydrophobicContact CD1-CD1 4.03Å; I60-L155 PolarHBondContact N-O 3.27Å; I118-L155 HydrophobicContact CD1-CD1 4.01Å; I118-L155 HydrophobicContact CD1-CD2 3.74Å; I118-L155 HydrophobicContact CG1-CD1 4.16Å; I118-L155 HydrophobicContact CG1-CD2 4.02Å; I118-L155 HydrophobicContact CG2-CD1 4.3Å; L155-L158 HydrophobicContact CD2-CD1 3.85Å
156T85.9Confident89.8Confident62 Ų6257.4 Ų57.438%0.3833%0.329SS..SBendtrans-95.4140.1173.557.30000109.1D59 I60 S154D59-T156 WeakPolarHBondContact OD2-CA 3.17Å; I60-T156 HydrophobicContact CG2-CG2 4.04Å; S154-T156 WeakPolarHBondContact CB-OG1 3.48Å; S154-T156 PolarHBondContact O-N 2.89Å; S154-T156 WeakPolarHBondContact OG-CG2 3.31Å; S154-T156 PolarHBondContact OG-N 3.39Å; S154-T156 PolarHBondContact OG-OG1 3.26Å
157Q86.2Confident89.8Confident124 Ų12464.3 Ų64.358%0.57936%0.362SS*.  trans60.747.5175.3-53.8-175.3-1.800114.5I58 D59 V159 H186I58-Q157 PolarHBondContact O-N 3.42Å; D59-Q157 PolarHBondContact OD2-N 2.9Å; D59-Q157 VanDerWaalsContact OD2-N 3.12Å; Q157-V159 WeakPolarHBondContact O-CG2 3.41Å; Q157-V159 PolarHBondContact O-N 2.93Å; Q157-H186 WeakPolarHBondContact CA-CE1 3.36Å
158L84.8Confident89.9Confident30 Ų3060.6 Ų60.616%0.15734%0.344CS..  trans-73.8109.8169.3-58.9177.8000109.4I57 I58 L155 K160I57-L158 HydrophobicContact CG2-CD1 4.39Å; I57-L158 WeakPolarHBondContact O-CB 2.62Å; I57-L158 WeakPolarHBondContact O-CD1 3.42Å; I58-L158 WeakPolarHBondContact O-CB 3.4Å; I58-L158 PolarHBondContact O-N 2.64Å; L155-L158 HydrophobicContact CD2-CD1 3.85Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 2.9Å
159V80.7Confident89.9Confident117 Ų11759.4 Ų59.471%0.70933%0.33SS*.  trans-96.624.5-175.8-158.80000112.2Q157Q157-V159 WeakPolarHBondContact O-CG2 3.41Å; Q157-V159 PolarHBondContact O-N 2.93Å
160K86.5Confident90Very high100 Ų10058.2 Ų58.244%0.43533%0.333SS..SBendtrans-91.3144-178.7-63.8-176.8-176.11780110.2E116 L158 T162E116-K160 IonicContact OE1-NZ 2.78Å; E116-K160 PolarHBondContact OE1-NZ 3.04Å; E116-K160 IonicContact OE2-NZ 3.85Å; E116-K160 PolarHBondContact OE2-NZ 3.4Å; L158-K160 VanDerWaalsContact C-N 3.33Å; L158-K160 PolarHBondContact O-N 2.9Å; K160-T162 PolarHBondContact O-N 3.14Å; K160-T162 VanDerWaalsContact O-N 3.07Å
161N88.7Confident90.2Very high70 Ų7057.1 Ų57.137%0.37433%0.328SS..SBendtrans53.829.4171.5-52.3-37000115.3D55 D163 T164 I165D55-N161 WeakPolarHBondContact CB-ND2 3.14Å; D55-N161 VanDerWaalsContact CG-ND2 3.32Å; D55-N161 PolarHBondContact OD1-ND2 3.21Å; N161-D163 PolarHBondContact O-N 3.03Å; N161-D163 VanDerWaalsContact O-N 3.11Å; N161-T164 PolarHBondContact O-N 2.85Å; N161-I165 WeakPolarHBondContact O-CG1 3.34Å; N161-I165 PolarHBondContact O-N 3.44Å
162T92.2Very high90.4Very high29 Ų2958.6 Ų58.618%0.17834%0.339CS..Hα-helixtrans-53.7-36.2-177-510000112.8K160 I165 C166 L189K160-T162 PolarHBondContact O-N 3.14Å; K160-T162 VanDerWaalsContact O-N 3.07Å; T162-I165 PolarHBondContact O-N 3.17Å; T162-C166 WeakPolarHBondContact O-CB 3.27Å; T162-C166 PolarHBondContact O-N 2.84Å; T162-C166 PolarHBondContact O-SG 3.39Å; T162-L189 HydrophobicContact CG2-CD2 3.69Å
163D93.3Very high90.9Very high95 Ų9562.3 Ų62.351%0.50835%0.347SS..Hα-helixtrans-58.9-53.7175-65.21.9000112N161 I165 C166 E167 R176N161-D163 PolarHBondContact O-N 3.03Å; N161-D163 VanDerWaalsContact O-N 3.11Å; D163-I165 VanDerWaalsContact C-N 3.3Å; D163-I165 PolarHBondContact O-N 3.01Å; D163-C166 WeakPolarHBondContact O-CB 3.5Å; D163-C166 PolarHBondContact O-N 2.87Å; D163-E167 WeakPolarHBondContact O-CG 3.36Å; D163-E167 PolarHBondContact O-N 3.43Å; D163-R176 VanDerWaalsContact CA-NH1 3.35Å; D163-R176 IonicContact OD1-CZ 3.66Å; D163-R176 IonicContact OD1-NH1 2.98Å; D163-R176 PolarHBondContact OD1-NH1 3.46Å; D163-R176 IonicContact OD1-NH2 3.58Å; D163-R176 PolarHBondContact OD1-NH2 2.98Å
164T94.4Very high91.8Very high65 Ų6566.7 Ų66.740%0.39936%0.362SS..Hα-helixtrans-61.7-38.5178.5-460000111.8F56 N161 E167 E168F56-T164 HydrophobicContact CE1-CG2 3.81Å; F56-T164 HydrophobicContact CZ-CG2 4.09Å; N161-T164 PolarHBondContact O-N 2.85Å; T164-E167 PolarHBondContact O-N 3.37Å; T164-E168 WeakPolarHBondContact O-CB 3.36Å; T164-E168 PolarHBondContact O-N 2.83Å
165I96Very high92.5Very high0 Ų065.9 Ų65.90%035%0.352CS..Hα-helixtrans-65.6-45.5176.7-65.6175.2000110.4D55 I58 N161 T162 D163 E167 E168 Y169 I193D55-I165 WeakPolarHBondContact O-CD1 3.48Å; I58-I165 HydrophobicContact CG2-CD1 3.43Å; I58-I165 VanDerWaalsContact CG2-CD1 3.43Å; I58-I165 HydrophobicContact CG2-CG2 4.14Å; N161-I165 WeakPolarHBondContact O-CG1 3.34Å; N161-I165 PolarHBondContact O-N 3.44Å; T162-I165 PolarHBondContact O-N 3.17Å; D163-I165 VanDerWaalsContact C-N 3.3Å; D163-I165 PolarHBondContact O-N 3.01Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 3.09Å; I165-E168 PolarHBondContact O-N 2.96Å; I165-Y169 HydrophobicContact CG2-CD2 3.8Å; I165-Y169 HydrophobicContact CG2-CE2 4.11Å; I165-Y169 WeakPolarHBondContact O-CD2 3.5Å; I165-Y169 PolarHBondContact O-N 2.9Å; I165-I193 HydrophobicContact CG2-CD1 3.62Å; I165-I193 HydrophobicContact CG2-CG1 4.48Å
166C96.8Very high93.1Very high4 Ų468.6 Ų68.63%0.02736%0.362CS..Hα-helixtrans-59.1-42.1175.3-72.60000111.6T162 D163 G170 I171T162-C166 WeakPolarHBondContact O-CB 3.27Å; T162-C166 PolarHBondContact O-N 2.84Å; T162-C166 PolarHBondContact O-SG 3.39Å; D163-C166 WeakPolarHBondContact O-CB 3.5Å; D163-C166 PolarHBondContact O-N 2.87Å; C166-G170 PolarHBondContact O-N 3.48Å; C166-I171 HydrophobicContact CB-CB 3.93Å; C166-I171 HydrophobicContact CB-CG2 4.37Å; C166-I171 PolarHBondContact O-N 3.44Å
167E96.6Very high93.6Very high155 Ų15569.8 Ų69.872%0.72437%0.366SS*.Hα-helixtrans-62.2-47.3175.9-71.8179177.300112D163 T164 I165 Y169 G170D163-E167 WeakPolarHBondContact O-CG 3.36Å; D163-E167 PolarHBondContact O-N 3.43Å; T164-E167 PolarHBondContact O-N 3.37Å; I165-E167 VanDerWaalsContact C-N 3.29Å; I165-E167 PolarHBondContact O-N 3.09Å; E167-Y169 PolarHBondContact O-N 3.37Å; E167-G170 PolarHBondContact O-N 3.42Å; E167-G170 VanDerWaalsContact O-N 3.13Å
168E97.1Very high94.1Very high35 Ų3569.4 Ų69.416%0.16437%0.367CS..Hα-helixtrans-58.6-45.7178.1177.758-148.900111.7F56 P97 N98 H103 T107 F108 T164 I165 G170F56-E168 HydrophobicContact CD1-CB 4.23Å; F56-E168 HydrophobicContact CD1-CG 4.2Å; F56-E168 HydrophobicContact CE1-CB 4.21Å; F56-E168 HydrophobicContact CE1-CG 4.38Å; P97-E168 WeakPolarHBondContact CD-OE1 3.48Å; P97-E168 HydrophobicContact CG-CG 4.38Å; P97-E168 WeakPolarHBondContact CG-O 3.4Å; N98-E168 PolarHBondContact ND2-OE1 2.9Å; H103-E168 IonicContact CD2-OE1 3.43Å; H103-E168 PolarHBondContact CD2-OE1 3.19Å; H103-E168 IonicContact CE1-OE1 3.88Å; H103-E168 IonicContact CE1-OE2 3.07Å; H103-E168 PolarHBondContact CE1-OE2 2.99Å; H103-E168 IonicContact NE2-OE1 2.74Å; H103-E168 PolarHBondContact NE2-OE1 3.47Å; H103-E168 IonicContact NE2-OE2 2.64Å; H103-E168 PolarHBondContact NE2-OE2 3.42Å; T107-E168 HydrophobicContact CG2-CG 4.14Å; F108-E168 HydrophobicContact CE2-CG 4.4Å; F108-E168 HydrophobicContact CZ-CG 3.97Å; T164-E168 WeakPolarHBondContact O-CB 3.36Å; T164-E168 PolarHBondContact O-N 2.83Å; I165-E168 PolarHBondContact O-N 2.96Å; E168-G170 VanDerWaalsContact C-N 3.27Å; E168-G170 PolarHBondContact O-N 2.9Å
169Y97.6Very high94.7Very high5 Ų568.5 Ų68.52%0.0236%0.362CS..THydrogen-bonded Turntrans-83.55.7179-73.4-80.2000114.4Q62 L95 P97 F108 I165 E167 I171 I193 R196 M197Q62-Y169 PolarHBondContact NE2-OH 3.46Å; L95-Y169 WeakPolarHBondContact O-CE1 3.43Å; L95-Y169 PolarHBondContact O-OH 2.74Å; P97-Y169 HydrophobicContact CB-CD1 3.72Å; P97-Y169 HydrophobicContact CB-CE1 4.1Å; P97-Y169 HydrophobicContact CG-CD1 3.83Å; P97-Y169 HydrophobicContact CG-CE1 4.11Å; P97-Y169 HydrophobicContact CG-CG 4.35Å; F108-Y169 HydrophobicContact CE1-CE2 4.35Å; F108-Y169 WeakPolarHBondContact CE1-OH 3.47Å; F108-Y169 HydrophobicContact CZ-CE2 4.26Å; F108-Y169 AromaticContact CZ-CZ 3.96Å; F108-Y169 WeakPolarHBondContact CZ-OH 3.49Å; I165-Y169 HydrophobicContact CG2-CD2 3.8Å; I165-Y169 HydrophobicContact CG2-CE2 4.11Å; I165-Y169 WeakPolarHBondContact O-CD2 3.5Å; I165-Y169 PolarHBondContact O-N 2.9Å; E167-Y169 PolarHBondContact O-N 3.37Å; Y169-I171 PolarHBondContact O-N 2.88Å; Y169-I193 HydrophobicContact CD1-CB 4.46Å; Y169-I193 HydrophobicContact CD1-CG1 4.42Å; Y169-I193 HydrophobicContact CD1-CG2 4.08Å; Y169-I193 HydrophobicContact CD2-CD1 4.24Å; Y169-I193 HydrophobicContact CD2-CG1 3.87Å; Y169-I193 HydrophobicContact CD2-CG2 4.29Å; Y169-I193 HydrophobicContact CE1-CG2 3.72Å; Y169-I193 HydrophobicContact CE2-CD1 4.35Å; Y169-I193 HydrophobicContact CE2-CG1 4.22Å; Y169-I193 HydrophobicContact CE2-CG2 3.89Å; Y169-I193 HydrophobicContact CG-CG1 3.98Å; Y169-I193 HydrophobicContact CG-CG2 4.38Å; Y169-R196 HydrophobicContact CD1-CB 4.11Å; Y169-M197 HydrophobicContact CE1-CG 3.86Å; Y169-M197 HydrophobicContact CE1-SD 4.46Å
170G97Very high95.4Very high52 Ų5267.2 Ų67.254%0.53635%0.351SS..THydrogen-bonded Turntrans63.623.8178.900000114.2C166 E167 E168 T172C166-G170 PolarHBondContact O-N 3.48Å; E167-G170 PolarHBondContact O-N 3.42Å; E167-G170 VanDerWaalsContact O-N 3.13Å; E168-G170 VanDerWaalsContact C-N 3.27Å; E168-G170 PolarHBondContact O-N 2.9Å; G170-T172 PolarHBondContact O-N 2.9Å
171I97.4Very high95.9Very high12 Ų1270.6 Ų70.66%0.06237%0.366CS..  trans-72.6109.4178-60.9178.5000108.2C166 Y169 E175 R176 I179 L189 I193C166-I171 HydrophobicContact CB-CB 3.93Å; C166-I171 HydrophobicContact CB-CG2 4.37Å; C166-I171 PolarHBondContact O-N 3.44Å; Y169-I171 PolarHBondContact O-N 2.88Å; I171-E175 HydrophobicContact CG2-CB 4.13Å; I171-E175 HydrophobicContact CG2-CG 3.97Å; I171-R176 HydrophobicContact CG2-CB 4.32Å; I171-I179 HydrophobicContact CG2-CD1 4.03Å; I171-L189 HydrophobicContact CD1-CD1 3.48Å; I171-L189 VanDerWaalsContact CD1-CD1 3.48Å; I171-I193 HydrophobicContact CD1-CG1 4.18Å
172T97Very high96.3Very high80 Ų8069 Ų6949%0.49136%0.36SS..  trans-68.1158.8-175.669.50000111.7G170 L174 E175 R176G170-T172 PolarHBondContact O-N 2.9Å; T172-L174 PolarHBondContact O-N 2.64Å; T172-E175 PolarHBondContact O-N 3.23Å; T172-E175 VanDerWaalsContact O-N 3.15Å; T172-E175 WeakPolarHBondContact OG1-CB 3.47Å; T172-E175 PolarHBondContact OG1-N 2.87Å; T172-E175 VanDerWaalsContact OG1-N 3.15Å; T172-R176 WeakPolarHBondContact O-CB 3.24Å; T172-R176 PolarHBondContact O-N 2.81Å
173K95.9Very high96.5Very high182 Ų18276.1 Ų76.179%0.79140%0.398SS*.Hα-helixtrans-55.7-35.4172.9-66.5-176.8179.2-179.10112.8N177K173-N177 WeakPolarHBondContact O-CB 3.36Å; K173-N177 PolarHBondContact O-N 3.4Å; K173-N177 PolarHBondContact O-ND2 2.91Å
174L96.6Very high96.6Very high126 Ų12675 Ų7566%0.6639%0.391SS*.Hα-helixtrans-66.3-48.8177.3-179.866.3000111T172 R176 N177 L178T172-L174 PolarHBondContact O-N 2.64Å; L174-R176 VanDerWaalsContact C-N 3.34Å; L174-N177 PolarHBondContact O-N 3.41Å; L174-L178 WeakPolarHBondContact O-CG 3.42Å; L174-L178 PolarHBondContact O-N 2.67Å
175E97.7Very high96.7Very high37 Ų3774.3 Ų74.317%0.17339%0.388CS..Hα-helixtrans-59.9-46.2176.2-177.6178.1-177.400110.9I171 T172 N177 L178 I179 S192 R196I171-E175 HydrophobicContact CG2-CB 4.13Å; I171-E175 HydrophobicContact CG2-CG 3.97Å; T172-E175 PolarHBondContact O-N 3.23Å; T172-E175 VanDerWaalsContact O-N 3.15Å; T172-E175 WeakPolarHBondContact OG1-CB 3.47Å; T172-E175 PolarHBondContact OG1-N 2.87Å; T172-E175 VanDerWaalsContact OG1-N 3.15Å; E175-N177 VanDerWaalsContact C-N 3.34Å; E175-N177 PolarHBondContact O-N 3.26Å; E175-L178 WeakPolarHBondContact O-CA 3.22Å; E175-L178 WeakPolarHBondContact O-CB 2.82Å; E175-L178 PolarHBondContact O-N 3.4Å; E175-I179 HydrophobicContact CG-CD1 3.96Å; E175-I179 WeakPolarHBondContact O-CG1 3.38Å; E175-I179 PolarHBondContact O-N 3.07Å; E175-S192 WeakPolarHBondContact OE1-CB 3.26Å; E175-S192 PolarHBondContact OE1-OG 3.48Å; E175-R196 IonicContact OE1-CZ 2.8Å; E175-R196 IonicContact OE1-NH2 3.83Å; E175-R196 PolarHBondContact OE1-NH2 3.27Å; E175-R196 IonicContact OE2-NH2 2.74Å; E175-R196 PolarHBondContact OE2-NH2 3.2Å
176R96.2Very high96.7Very high60 Ų6076 Ų7623%0.22640%0.396CS..Hα-helixtrans-58.9-43.3177-177.7159.2-179.2-174.3-8.4113.1D163 I171 T172 L174 L178 I179 D180D163-R176 VanDerWaalsContact CA-NH1 3.35Å; D163-R176 IonicContact OD1-CZ 3.66Å; D163-R176 IonicContact OD1-NH1 2.98Å; D163-R176 PolarHBondContact OD1-NH1 3.46Å; D163-R176 IonicContact OD1-NH2 3.58Å; D163-R176 PolarHBondContact OD1-NH2 2.98Å; I171-R176 HydrophobicContact CG2-CB 4.32Å; T172-R176 WeakPolarHBondContact O-CB 3.24Å; T172-R176 PolarHBondContact O-N 2.81Å; L174-R176 VanDerWaalsContact C-N 3.34Å; R176-L178 PolarHBondContact O-N 2.79Å; R176-I179 WeakPolarHBondContact O-CB 3.34Å; R176-I179 PolarHBondContact O-N 2.95Å; R176-I179 VanDerWaalsContact O-N 3.15Å; R176-D180 VanDerWaalsContact O-CG 3.26Å; R176-D180 PolarHBondContact O-N 3.3Å
177N96.8Very high96.6Very high87 Ų8781 Ų8147%0.46542%0.417SS..Hα-helixtrans-61.9-26175-73.7-31.3000113.2K173 L174 E175 K181K173-N177 WeakPolarHBondContact O-CB 3.36Å; K173-N177 PolarHBondContact O-N 3.4Å; K173-N177 PolarHBondContact O-ND2 2.91Å; L174-N177 PolarHBondContact O-N 3.41Å; E175-N177 VanDerWaalsContact C-N 3.34Å; E175-N177 PolarHBondContact O-N 3.26Å; N177-K181 WeakPolarHBondContact O-CD 3.39Å; N177-K181 VanDerWaalsContact O-CG 3.25Å; N177-K181 WeakPolarHBondContact O-CG 3.43Å
178L97.4Very high96.7Very high117 Ų11775 Ų7561%0.61339%0.392SS*.Hα-helixtrans-79.8-41.6174-65.7171.2000111L174 E175 R176 K181 S182L174-L178 WeakPolarHBondContact O-CG 3.42Å; L174-L178 PolarHBondContact O-N 2.67Å; E175-L178 WeakPolarHBondContact O-CA 3.22Å; E175-L178 WeakPolarHBondContact O-CB 2.82Å; E175-L178 PolarHBondContact O-N 3.4Å; R176-L178 PolarHBondContact O-N 2.79Å; L178-K181 PolarHBondContact O-N 2.88Å; L178-S182 PolarHBondContact O-N 2.9Å
179I96.9Very high96.7Very high11 Ų1174 Ų746%0.05639%0.388CS..Hα-helixtrans-57.5-49.6173.7-70.3166.4000110.4I171 E175 R176 K181 S182 P185 L189I171-I179 HydrophobicContact CG2-CD1 4.03Å; E175-I179 HydrophobicContact CG-CD1 3.96Å; E175-I179 WeakPolarHBondContact O-CG1 3.38Å; E175-I179 PolarHBondContact O-N 3.07Å; R176-I179 WeakPolarHBondContact O-CB 3.34Å; R176-I179 PolarHBondContact O-N 2.95Å; R176-I179 VanDerWaalsContact O-N 3.15Å; I179-K181 PolarHBondContact O-N 3.26Å; I179-S182 WeakPolarHBondContact O-CB 3.38Å; I179-S182 PolarHBondContact O-N 3.24Å; I179-S182 PolarHBondContact O-OG 3.07Å; I179-S182 VanDerWaalsContact O-OG 3.04Å; I179-P185 HydrophobicContact CG2-CB 4.39Å; I179-P185 VanDerWaalsContact CG2-O 3.27Å; I179-P185 WeakPolarHBondContact CG2-O 3.43Å; I179-P185 WeakPolarHBondContact O-CA 3.41Å; I179-P185 WeakPolarHBondContact O-CB 3.47Å; I179-L189 HydrophobicContact CD1-CD1 4.17Å; I179-L189 HydrophobicContact CG2-CB 3.97Å
180D95.5Very high96.6Very high89 Ų8974.5 Ų74.548%0.47639%0.391SS..THydrogen-bonded Turntrans-63.8-17.6-178.6-66.3-20.9000113.2R176R176-D180 VanDerWaalsContact O-CG 3.26Å; R176-D180 PolarHBondContact O-N 3.3Å
181K97Very high96.7Very high171 Ų17177 Ų7774%0.74339%0.389SS*.THydrogen-bonded Turntrans-102-1.9178-68.8176.7-173.4176.30113.5N177 L178 I179N177-K181 WeakPolarHBondContact O-CD 3.39Å; N177-K181 VanDerWaalsContact O-CG 3.25Å; N177-K181 WeakPolarHBondContact O-CG 3.43Å; L178-K181 PolarHBondContact O-N 2.88Å; I179-K181 PolarHBondContact O-N 3.26Å
182S96.8Very high96.7Very high36 Ų3677.2 Ų77.225%0.25239%0.391SS..SBendtrans-73.8166.4178.381.60000111.1L178 I179 D184 P185 S188L178-S182 PolarHBondContact O-N 2.9Å; I179-S182 WeakPolarHBondContact O-CB 3.38Å; I179-S182 PolarHBondContact O-N 3.24Å; I179-S182 PolarHBondContact O-OG 3.07Å; I179-S182 VanDerWaalsContact O-OG 3.04Å; S182-D184 PolarHBondContact O-N 3.03Å; S182-D184 PolarHBondContact OG-N 3.18Å; S182-D184 PolarHBondContact OG-O 3.44Å; S182-P185 WeakPolarHBondContact OG-CA 3.46Å; S182-S188 WeakPolarHBondContact CB-OG 3.33Å; S182-S188 WeakPolarHBondContact OG-CB 3.47Å; S182-S188 PolarHBondContact OG-OG 3.15Å
183D96.9Very high96.7Very high180 Ų18073.4 Ų73.496%0.96337%0.368SS*.SBendtrans-65.2-25.5177.8-65-30.4000112.5
184D96.1Very high96.8Very high70 Ų7066.9 Ų66.937%0.37434%0.341SS..  trans-141.986.1177.5-173.6-16.3000109.8S182 H186 K187 S188S182-D184 PolarHBondContact O-N 3.03Å; S182-D184 PolarHBondContact OG-N 3.18Å; S182-D184 PolarHBondContact OG-O 3.44Å; D184-H186 VanDerWaalsContact C-N 3.26Å; D184-H186 PolarHBondContact O-N 3.23Å; D184-H186 PolarHBondContact OD1-N 2.92Å; D184-K187 HydrophobicContact CB-CB 3.96Å; D184-K187 PolarHBondContact O-N 2.88Å; D184-K187 PolarHBondContact OD1-N 3.47Å; D184-K187 WeakPolarHBondContact OD2-CB 3.46Å; D184-S188 PolarHBondContact O-N 2.92Å; D184-S188 PolarHBondContact O-OG 3.2Å
185P95.4Very high96.8Very high52 Ų5263.6 Ų63.634%0.33833%0.329SS..Hα-helixtrans-59.5-34.1-176.6-28.536.7000113.8I179 S182 L189I179-P185 HydrophobicContact CG2-CB 4.39Å; I179-P185 VanDerWaalsContact CG2-O 3.27Å; I179-P185 WeakPolarHBondContact CG2-O 3.43Å; I179-P185 WeakPolarHBondContact O-CA 3.41Å; I179-P185 WeakPolarHBondContact O-CB 3.47Å; S182-P185 WeakPolarHBondContact OG-CA 3.46Å; P185-L189 WeakPolarHBondContact O-CB 3.4Å; P185-L189 PolarHBondContact O-N 3.3Å
186H95.1Very high96.8Very high35 Ų3565.4 Ų65.416%0.16233%0.334CS..Hα-helixtrans-65.8-49.3178178.273.9000110.9I58 D59 Q157 D184 L189 L190I58-H186 PolarHBondContact O-CE1 2.94Å; I58-H186 VanDerWaalsContact O-CE1 3.3Å; D59-H186 IonicContact OD2-CD2 3.5Å; D59-H186 IonicContact OD2-CE1 3.5Å; D59-H186 IonicContact OD2-NE2 2.91Å; D59-H186 PolarHBondContact OD2-NE2 3.48Å; Q157-H186 WeakPolarHBondContact CA-CE1 3.36Å; D184-H186 VanDerWaalsContact C-N 3.26Å; D184-H186 PolarHBondContact O-N 3.23Å; D184-H186 PolarHBondContact OD1-N 2.92Å; H186-L189 PolarHBondContact O-N 2.97Å; H186-L190 WeakPolarHBondContact O-CB 3.19Å; H186-L190 PolarHBondContact O-N 2.84Å
187K96.1Very high96.9Very high110 Ų11062.6 Ų62.648%0.47832%0.323SS..Hα-helixtrans-62.4-43.6177-176-177.9176.5-170.20111.7D184 L189 L190 E191D184-K187 HydrophobicContact CB-CB 3.96Å; D184-K187 PolarHBondContact O-N 2.88Å; D184-K187 PolarHBondContact OD1-N 3.47Å; D184-K187 WeakPolarHBondContact OD2-CB 3.46Å; K187-L189 VanDerWaalsContact C-N 3.33Å; K187-L189 PolarHBondContact O-N 3.39Å; K187-L190 WeakPolarHBondContact O-CB 3.41Å; K187-L190 PolarHBondContact O-N 2.92Å; K187-E191 WeakPolarHBondContact CE-OE1 3.46Å; K187-E191 IonicContact NZ-OE1 3.98Å; K187-E191 WeakPolarHBondContact O-CG 3.27Å; K187-E191 PolarHBondContact O-N 3.24Å
188S97.2Very high96.7Very high28 Ų2860.3 Ų60.320%0.19632%0.317CS..Hα-helixtrans-61.5-40.5176.9-64.70000112.2S182 D184 E191 S192S182-S188 WeakPolarHBondContact CB-OG 3.33Å; S182-S188 WeakPolarHBondContact OG-CB 3.47Å; S182-S188 PolarHBondContact OG-OG 3.15Å; D184-S188 PolarHBondContact O-N 2.92Å; D184-S188 PolarHBondContact O-OG 3.2Å; S188-E191 PolarHBondContact O-N 3.47Å; S188-S192 PolarHBondContact O-N 3.15Å; S188-S192 PolarHBondContact O-OG 2.7Å
189L97.3Very high96.6Very high13 Ų1357.4 Ų57.47%0.06831%0.306CS..Hα-helixtrans-63.5-44.5174.2-17862.6000111.8I58 T162 I171 I179 P185 H186 K187 S192 I193I58-L189 HydrophobicContact CD1-CB 4.21Å; I58-L189 HydrophobicContact CD1-CD2 3.9Å; I58-L189 HydrophobicContact CD1-CG 3.82Å; I58-L189 HydrophobicContact CG2-CD2 4.35Å; T162-L189 HydrophobicContact CG2-CD2 3.69Å; I171-L189 HydrophobicContact CD1-CD1 3.48Å; I171-L189 VanDerWaalsContact CD1-CD1 3.48Å; I179-L189 HydrophobicContact CD1-CD1 4.17Å; I179-L189 HydrophobicContact CG2-CB 3.97Å; P185-L189 WeakPolarHBondContact O-CB 3.4Å; P185-L189 PolarHBondContact O-N 3.3Å; H186-L189 PolarHBondContact O-N 2.97Å; K187-L189 VanDerWaalsContact C-N 3.33Å; K187-L189 PolarHBondContact O-N 3.39Å; L189-S192 WeakPolarHBondContact O-CB 3.35Å; L189-S192 PolarHBondContact O-N 3.33Å; L189-I193 HydrophobicContact CD1-CD1 4.5Å; L189-I193 HydrophobicContact CG-CD1 4.18Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 2.74Å
190L97.3Very high96.3Very high17 Ų1757.4 Ų57.49%0.08931%0.306CS..Hα-helixtrans-59.8-44.9176.7177.862.6000111.9I58 D59 V61 Q62 H186 K187 S192 I193 L194I58-L190 HydrophobicContact CD1-CB 3.88Å; I58-L190 HydrophobicContact CD1-CD1 4.32Å; I58-L190 HydrophobicContact CG1-CD1 4.29Å; D59-L190 HydrophobicContact CB-CD1 3.94Å; D59-L190 HydrophobicContact CB-CD2 4.03Å; V61-L190 HydrophobicContact CB-CD1 4.47Å; V61-L190 HydrophobicContact CB-CD2 4Å; V61-L190 HydrophobicContact CG1-CD2 4.31Å; V61-L190 HydrophobicContact CG2-CD2 4.45Å; Q62-L190 HydrophobicContact CB-CD1 4.21Å; H186-L190 WeakPolarHBondContact O-CB 3.19Å; H186-L190 PolarHBondContact O-N 2.84Å; K187-L190 WeakPolarHBondContact O-CB 3.41Å; K187-L190 PolarHBondContact O-N 2.92Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 2.98Å; L190-I193 PolarHBondContact O-N 2.64Å; L190-L194 HydrophobicContact CD1-CD1 4.07Å; L190-L194 HydrophobicContact CD1-CG 4.04Å; L190-L194 HydrophobicContact CG-CD1 3.93Å; L190-L194 HydrophobicContact CG-CG 4.33Å; L190-L194 WeakPolarHBondContact O-CB 3.48Å; L190-L194 VanDerWaalsContact O-CG 3.24Å; L190-L194 WeakPolarHBondContact O-CG 3.43Å; L190-L194 PolarHBondContact O-N 3.48Å
191E97.5Very high95.9Very high105 Ų10554.8 Ų54.849%0.49129%0.291SS..Hα-helixtrans-61.4-41.8176-73.7174.4173.900111.9K187 S188 S195K187-E191 WeakPolarHBondContact CE-OE1 3.46Å; K187-E191 IonicContact NZ-OE1 3.98Å; K187-E191 WeakPolarHBondContact O-CG 3.27Å; K187-E191 PolarHBondContact O-N 3.24Å; S188-E191 PolarHBondContact O-N 3.47Å; E191-S195 VanDerWaalsContact O-CB 3.26Å; E191-S195 WeakPolarHBondContact O-CB 3.38Å; E191-S195 PolarHBondContact O-N 3.27Å
192S97.7Very high95.3Very high16 Ų1653.4 Ų53.411%0.11229%0.291CS..Hα-helixtrans-58.9-50.3172.4-75.20000111.2E175 S188 L189 L190 L194 S195 R196E175-S192 WeakPolarHBondContact OE1-CB 3.26Å; E175-S192 PolarHBondContact OE1-OG 3.48Å; S188-S192 PolarHBondContact O-N 3.15Å; S188-S192 PolarHBondContact O-OG 2.7Å; L189-S192 WeakPolarHBondContact O-CB 3.35Å; L189-S192 PolarHBondContact O-N 3.33Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 2.98Å; S192-L194 PolarHBondContact O-N 3.12Å; S192-S195 WeakPolarHBondContact O-CB 3.49Å; S192-S195 PolarHBondContact O-N 3.44Å; S192-R196 WeakPolarHBondContact O-CD 3.49Å; S192-R196 PolarHBondContact O-N 3.07Å
193I97.7Very high94.4Very high0 Ų057.8 Ų57.80%031%0.306CS..Hα-helixtrans-57.3-52.1178.4-72172.4000111.5I58 Q62 I165 Y169 I171 L189 L190 S195 R196 M197I58-I193 HydrophobicContact CD1-CD1 3.59Å; I58-I193 HydrophobicContact CG1-CD1 3.85Å; I58-I193 HydrophobicContact CG2-CD1 4.22Å; Q62-I193 HydrophobicContact CG-CG2 3.95Å; I165-I193 HydrophobicContact CG2-CD1 3.62Å; I165-I193 HydrophobicContact CG2-CG1 4.48Å; Y169-I193 HydrophobicContact CD1-CB 4.46Å; Y169-I193 HydrophobicContact CD1-CG1 4.42Å; Y169-I193 HydrophobicContact CD1-CG2 4.08Å; Y169-I193 HydrophobicContact CD2-CD1 4.24Å; Y169-I193 HydrophobicContact CD2-CG1 3.87Å; Y169-I193 HydrophobicContact CD2-CG2 4.29Å; Y169-I193 HydrophobicContact CE1-CG2 3.72Å; Y169-I193 HydrophobicContact CE2-CD1 4.35Å; Y169-I193 HydrophobicContact CE2-CG1 4.22Å; Y169-I193 HydrophobicContact CE2-CG2 3.89Å; Y169-I193 HydrophobicContact CG-CG1 3.98Å; Y169-I193 HydrophobicContact CG-CG2 4.38Å; I171-I193 HydrophobicContact CD1-CG1 4.18Å; L189-I193 HydrophobicContact CD1-CD1 4.5Å; L189-I193 HydrophobicContact CG-CD1 4.18Å; L189-I193 WeakPolarHBondContact O-CG1 3.48Å; L189-I193 PolarHBondContact O-N 2.74Å; L190-I193 PolarHBondContact O-N 2.64Å; I193-S195 VanDerWaalsContact C-N 3.26Å; I193-S195 PolarHBondContact O-N 3.31Å; I193-R196 PolarHBondContact O-N 3.46Å; I193-M197 HydrophobicContact CG2-SD 3.89Å; I193-M197 PolarHBondContact O-N 2.8Å
194L97.9Very high93.4Very high44 Ų4450.7 Ų50.723%0.2327%0.266CS..Hα-helixtrans-59.4-37.8179.6-68.6174.6000111.6V61 A65 L190 S192 R196 M197 A198V61-L194 HydrophobicContact CG1-CD1 4.03Å; A65-L194 HydrophobicContact CB-CD2 3.49Å; A65-L194 VanDerWaalsContact CB-CD2 3.49Å; L190-L194 HydrophobicContact CD1-CD1 4.07Å; L190-L194 HydrophobicContact CD1-CG 4.04Å; L190-L194 HydrophobicContact CG-CD1 3.93Å; L190-L194 HydrophobicContact CG-CG 4.33Å; L190-L194 WeakPolarHBondContact O-CB 3.48Å; L190-L194 VanDerWaalsContact O-CG 3.24Å; L190-L194 WeakPolarHBondContact O-CG 3.43Å; L190-L194 PolarHBondContact O-N 3.48Å; S192-L194 PolarHBondContact O-N 3.12Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 3.23Å; L194-M197 HydrophobicContact CD2-SD 4.24Å; L194-M197 PolarHBondContact O-N 3.13Å; L194-A198 WeakPolarHBondContact O-CB 3.25Å; L194-A198 PolarHBondContact O-N 3.07Å
195S97.2Very high91.9Very high57 Ų5754.6 Ų54.640%0.39930%0.295SS..Hα-helixtrans-60.9-39.1174.9169.70000112.4E191 S192 I193 S199E191-S195 VanDerWaalsContact O-CB 3.26Å; E191-S195 WeakPolarHBondContact O-CB 3.38Å; E191-S195 PolarHBondContact O-N 3.27Å; S192-S195 WeakPolarHBondContact O-CB 3.49Å; S192-S195 PolarHBondContact O-N 3.44Å; I193-S195 VanDerWaalsContact C-N 3.26Å; I193-S195 PolarHBondContact O-N 3.31Å; S195-S199 WeakPolarHBondContact O-CB 3.46Å; S195-S199 PolarHBondContact O-N 3.15Å
196R97Very high91.7Very high75 Ų7554.7 Ų54.728%0.28329%0.293SS..Hα-helixtrans-74.9-38.7179.4-78.275.8-179.8133.4-15.8111.2P97 Y169 E175 S192 I193 L194 S199 R200P97-R196 HydrophobicContact CB-CB 4.18Å; Y169-R196 HydrophobicContact CD1-CB 4.11Å; E175-R196 IonicContact OE1-CZ 2.8Å; E175-R196 IonicContact OE1-NH2 3.83Å; E175-R196 PolarHBondContact OE1-NH2 3.27Å; E175-R196 IonicContact OE2-NH2 2.74Å; E175-R196 PolarHBondContact OE2-NH2 3.2Å; S192-R196 WeakPolarHBondContact O-CD 3.49Å; S192-R196 PolarHBondContact O-N 3.07Å; I193-R196 PolarHBondContact O-N 3.46Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 3.23Å; R196-S199 PolarHBondContact O-N 2.93Å; R196-R200 PolarHBondContact O-N 2.88Å
197M97.1Very high91.5Very high1 Ų155.7 Ų55.71%0.00530%0.3CS..Hα-helixtrans-58.8-48.8171.9-66.6168.557.200111.3Q62 A65 A66 C94 L95 Y169 I193 L194 D201Q62-M197 HydrophobicContact CG-CE 4.5Å; Q62-M197 HydrophobicContact CG-SD 3.84Å; Q62-M197 WeakPolarHBondContact O-CE 3.32Å; A65-M197 HydrophobicContact CB-CE 4.12Å; A66-M197 HydrophobicContact CB-CE 3.89Å; C94-M197 WeakPolarHBondContact O-CE 3.38Å; L95-M197 HydrophobicContact CD2-CE 4.43Å; Y169-M197 HydrophobicContact CE1-CG 3.86Å; Y169-M197 HydrophobicContact CE1-SD 4.46Å; I193-M197 HydrophobicContact CG2-SD 3.89Å; I193-M197 PolarHBondContact O-N 2.8Å; L194-M197 HydrophobicContact CD2-SD 4.24Å; L194-M197 PolarHBondContact O-N 3.13Å; M197-D201 PolarHBondContact O-N 3.04Å
198A94.6Very high91.3Very high40 Ų4052.7 Ų52.733%0.33129%0.29SS..Hα-helixtrans-67.3-41.7178.200000112.5L194 R200 D201 L202L194-A198 WeakPolarHBondContact O-CB 3.25Å; L194-A198 PolarHBondContact O-N 3.07Å; A198-R200 VanDerWaalsContact C-N 3.34Å; A198-R200 PolarHBondContact O-N 3.22Å; A198-D201 WeakPolarHBondContact O-CB 3.45Å; A198-D201 PolarHBondContact O-N 3.4Å; A198-D201 VanDerWaalsContact O-N 3.09Å; A198-L202 WeakPolarHBondContact O-CG 3.41Å; A198-L202 PolarHBondContact O-N 3.24Å
199S93.4Very high90.9Very high55 Ų5554.2 Ų54.239%0.38530%0.295SS..Hα-helixtrans-62.4-40.3179.1-178.70000112S195 R196 D201 L202 F203S195-S199 WeakPolarHBondContact O-CB 3.46Å; S195-S199 PolarHBondContact O-N 3.15Å; R196-S199 PolarHBondContact O-N 2.93Å; S199-D201 PolarHBondContact O-N 3.18Å; S199-L202 PolarHBondContact O-N 3.21Å; S199-F203 WeakPolarHBondContact O-CD2 3.48Å
200R90.8Very high90.5Very high12 Ų1256.8 Ų56.85%0.04531%0.31CS..Hα-helixtrans-56.5-43.8172.8-178.7-140.361.4-131.2-3.9111.1Y93 C94 S96 N98 R99 R196 A198 F203Y93-R200 PolarHBondContact O-NH1 3.07Å; C94-R200 VanDerWaalsContact CA-NH1 3.32Å; C94-R200 PolarHBondContact O-NH1 3.02Å; S96-R200 WeakPolarHBondContact O-CD 3.38Å; S96-R200 PolarHBondContact O-NH1 3.5Å; N98-R200 VanDerWaalsContact O-CD 3.29Å; N98-R200 WeakPolarHBondContact O-CD 3.06Å; R99-R200 HydrophobicContact CG-CG 3.92Å; R196-R200 PolarHBondContact O-N 2.88Å; A198-R200 VanDerWaalsContact C-N 3.34Å; A198-R200 PolarHBondContact O-N 3.22Å; R200-F203 PolarHBondContact O-N 2.85Å
201D87.2Confident90.1Very high33 Ų3359.4 Ų59.418%0.17632%0.324CS..Hα-helixtrans-71.7-33.1-175.5-145.156000113.8H73 M197 A198 S199 F203 R204H73-D201 IonicContact CE1-OD1 2.9Å; H73-D201 PolarHBondContact CE1-OD1 3.28Å; H73-D201 IonicContact CE1-OD2 3.69Å; H73-D201 IonicContact NE2-OD1 2.67Å; H73-D201 PolarHBondContact NE2-OD1 2.92Å; H73-D201 IonicContact NE2-OD2 3.91Å; H73-D201 PolarHBondContact NE2-OD2 2.95Å; M197-D201 PolarHBondContact O-N 3.04Å; A198-D201 WeakPolarHBondContact O-CB 3.45Å; A198-D201 PolarHBondContact O-N 3.4Å; A198-D201 VanDerWaalsContact O-N 3.09Å; S199-D201 PolarHBondContact O-N 3.18Å; D201-F203 PolarHBondContact O-N 2.81Å; D201-F203 VanDerWaalsContact O-N 3.09Å; D201-R204 WeakPolarHBondContact O-CG 3.35Å; D201-R204 PolarHBondContact O-N 3.21Å; D201-R204 WeakPolarHBondContact OD1-CD 3.49Å; D201-R204 IonicContact OD1-CZ 3.69Å; D201-R204 IonicContact OD1-NH1 3.41Å; D201-R204 PolarHBondContact OD1-NH1 3.05Å
202L84.2Confident89.5Confident142 Ų14256.1 Ų56.174%0.74331%0.312SS*.Hα-helixtrans-62.6-19.6176.5-74.7172.8000114.1A198 S199A198-L202 WeakPolarHBondContact O-CG 3.41Å; A198-L202 PolarHBondContact O-N 3.24Å; S199-L202 PolarHBondContact O-N 3.21Å
203F78.5Confident88.9Confident129 Ų12959.2 Ų59.257%0.56633%0.328SS*.THydrogen-bonded Turntrans-113.227.6-177.1-60.7-71.1000112.3R99 S199 R200 D201R99-F203 PolarHBondContact NH1-O 2.98Å; R99-F203 PolarHBondContact NH2-O 3.5Å; S199-F203 WeakPolarHBondContact O-CD2 3.48Å; R200-F203 PolarHBondContact O-N 2.85Å; D201-F203 PolarHBondContact O-N 2.81Å; D201-F203 VanDerWaalsContact O-N 3.09Å
204R75.9Confident88.2Confident31 Ų3164.2 Ų64.212%0.11736%0.355CS..  trans-57.3126165.6-70.9-178.294100.6-9.8108.9H73 G81 Y83 E90 D201H73-R204 PolarHBondContact CE1-NH1 3.22Å; H73-R204 PolarHBondContact ND1-NH1 3.42Å; H73-R204 PolarHBondContact ND1-NH2 3.25Å; H73-R204 PolarHBondContact NE2-NH1 2.93Å; G81-R204 PolarHBondContact O-NH2 3.32Å; Y83-R204 HydrophobicContact CE2-CB 4.18Å; Y83-R204 HydrophobicContact CE2-CG 3.77Å; Y83-R204 VanDerWaalsContact OH-CB 3.32Å; Y83-R204 WeakPolarHBondContact OH-CB 3.5Å; E90-R204 IonicContact OE1-CZ 2.69Å; E90-R204 IonicContact OE1-NH1 3.19Å; E90-R204 IonicContact OE1-NH2 2.65Å; E90-R204 PolarHBondContact OE1-NH2 3.47Å; D201-R204 WeakPolarHBondContact O-CG 3.35Å; D201-R204 PolarHBondContact O-N 3.21Å; D201-R204 WeakPolarHBondContact OD1-CD 3.49Å; D201-R204 IonicContact OD1-CZ 3.69Å; D201-R204 IonicContact OD1-NH1 3.41Å; D201-R204 PolarHBondContact OD1-NH1 3.05Å
205P64.4Low87.3Confident151 Ų15166 Ų6698%0.98137%0.366SS*.  trans-58.20174.921-35.1000113.8Y83Y83-P205 HydrophobicContact CE1-CG 4.25Å; Y83-P205 WeakPolarHBondContact OH-CD 3.16Å; Y83-P205 VanDerWaalsContact OH-CG 3.26Å; Y83-P205 WeakPolarHBondContact OH-CG 3.32Å; Y83-P205 PolarHBondContact OH-O 2.89Å

Retrieved 205 of 205 residues in 110.6 ms (Link to these results)

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