A0A077ZGS4_TRITR Loading...

ATP-dependent DNA helicase

AlphaFold DB , UniProt , Accession A0A077ZGS4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 583 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
1M86.2Confident90.2Very high75 Ų7577.3 Ų77.337%0.36938%0.378SS..  0-42.20-73.6-49.1-65.400114.3R3 I4 K5 F17 E22 I25 Q26 L29M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.23Å; M1-I4 HydrophobicContact CE-CB 4.44Å; M1-I4 HydrophobicContact CE-CG2 4.14Å; M1-I4 WeakPolarHBondContact O-CA 3.28Å; M1-I4 WeakPolarHBondContact O-CB 3.32Å; M1-I4 PolarHBondContact O-N 3.46Å; M1-K5 PolarHBondContact O-N 3.32Å; M1-F17 HydrophobicContact CE-CE2 4.37Å; M1-E22 HydrophobicContact CE-CG 3.84Å; M1-I25 HydrophobicContact CE-CG2 4.38Å; M1-I25 HydrophobicContact SD-CG2 4.43Å; M1-Q26 HydrophobicContact CE-CG 3.88Å; M1-Q26 HydrophobicContact CG-CG 3.83Å; M1-Q26 HydrophobicContact SD-CG 3.52Å; M1-Q26 VanDerWaalsContact SD-CG 3.52Å; M1-L29 HydrophobicContact SD-CD1 3.96Å
2E88.1Confident89.9Confident172 Ų17274.3 Ų74.380%0.80436%0.361SS*.Hα-helixtrans-55.1-44.7178.3-66.4179.9161.200113.4I4 K5 A6E2-I4 PolarHBondContact O-N 2.69Å; E2-K5 PolarHBondContact O-N 3.3Å; E2-K5 VanDerWaalsContact O-N 3.14Å; E2-A6 PolarHBondContact O-N 3.02Å
3R90.9Very high89.7Confident169 Ų16973 Ų7364%0.63838%0.379SS*.Hα-helixtrans-55.9-38.2173.7-175.7175.2177.8-172.9-3.4113.1M1 A6 L7 V54M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.23Å; R3-A6 PolarHBondContact O-N 2.86Å; R3-L7 HydrophobicContact CG-CD1 4.26Å; R3-L7 VanDerWaalsContact O-CG 3.32Å; R3-L7 WeakPolarHBondContact O-CG 3.42Å; R3-L7 PolarHBondContact O-N 3.36Å; R3-V54 HydrophobicContact CG-CG1 4.29Å
4I91.8Very high89.4Confident4 Ų475.6 Ų75.62%0.02138%0.383CS..Hα-helixtrans-70.5-40.2179-72.1-71.7000111.1M1 E2 A6 L7 L8 F17 I25 L29 L50 V54M1-I4 HydrophobicContact CE-CB 4.44Å; M1-I4 HydrophobicContact CE-CG2 4.14Å; M1-I4 WeakPolarHBondContact O-CA 3.28Å; M1-I4 WeakPolarHBondContact O-CB 3.32Å; M1-I4 PolarHBondContact O-N 3.46Å; E2-I4 PolarHBondContact O-N 2.69Å; I4-A6 VanDerWaalsContact C-N 3.34Å; I4-L7 PolarHBondContact O-N 2.92Å; I4-L8 WeakPolarHBondContact O-CB 3.36Å; I4-L8 PolarHBondContact O-N 3.02Å; I4-F17 HydrophobicContact CG2-CE1 4.39Å; I4-F17 HydrophobicContact CG2-CZ 3.65Å; I4-I25 HydrophobicContact CG2-CG2 4.04Å; I4-L29 HydrophobicContact CD1-CD1 4.4Å; I4-L29 HydrophobicContact CG1-CD1 3.94Å; I4-L50 HydrophobicContact CD1-CB 4.3Å; I4-L50 HydrophobicContact CG2-CB 4.48Å; I4-L50 HydrophobicContact CG2-CD1 4.19Å; I4-V54 HydrophobicContact CD1-CB 4.21Å; I4-V54 HydrophobicContact CD1-CG1 3.45Å; I4-V54 VanDerWaalsContact CD1-CG1 3.45Å; I4-V54 HydrophobicContact CD1-CG2 3.66Å; I4-V54 HydrophobicContact CG1-CG1 4.14Å; I4-V54 HydrophobicContact CG1-CG2 4.46Å
5K91.1Very high89Confident99 Ų9978.9 Ų78.943%0.4341%0.409SS..Hα-helixtrans-62.4-41173.2-73-179.4-179.7-178.90111.7M1 E2 L8 S9 F17 E22M1-K5 PolarHBondContact O-N 3.32Å; E2-K5 PolarHBondContact O-N 3.3Å; E2-K5 VanDerWaalsContact O-N 3.14Å; K5-L8 WeakPolarHBondContact O-CB 3.38Å; K5-L8 PolarHBondContact O-N 3.21Å; K5-S9 PolarHBondContact O-N 2.73Å; K5-F17 HydrophobicContact CD-CE2 4.35Å; K5-F17 HydrophobicContact CG-CD2 4.44Å; K5-F17 HydrophobicContact CG-CE2 3.55Å; K5-F17 HydrophobicContact CG-CZ 4.23Å; K5-E22 WeakPolarHBondContact CE-OE1 3.4Å; K5-E22 IonicContact NZ-OE1 2.72Å; K5-E22 PolarHBondContact NZ-OE1 3.04Å; K5-E22 IonicContact NZ-OE2 3.92Å; K5-E22 PolarHBondContact NZ-OE2 2.99Å
6A91.6Very high88.9Confident58 Ų5883.6 Ų83.648%0.47943%0.428SS..Hα-helixtrans-61.9-46.4174.700000111.8E2 R3 I4 L8 S9 E10E2-A6 PolarHBondContact O-N 3.02Å; R3-A6 PolarHBondContact O-N 2.86Å; I4-A6 VanDerWaalsContact C-N 3.34Å; A6-L8 VanDerWaalsContact C-N 3.35Å; A6-L8 PolarHBondContact O-N 2.83Å; A6-S9 PolarHBondContact O-N 3.45Å; A6-E10 WeakPolarHBondContact O-CB 3.31Å; A6-E10 PolarHBondContact O-N 3.3Å
7L92.5Very high88.9Confident21 Ų2180.6 Ų80.611%0.1141%0.411CS..Hα-helixtrans-64.4-35.9177.6-73169000113.1R3 I4 S9 E10 K11 L50 L53 V54R3-L7 HydrophobicContact CG-CD1 4.26Å; R3-L7 VanDerWaalsContact O-CG 3.32Å; R3-L7 WeakPolarHBondContact O-CG 3.42Å; R3-L7 PolarHBondContact O-N 3.36Å; I4-L7 PolarHBondContact O-N 2.92Å; L7-S9 VanDerWaalsContact C-N 3.3Å; L7-S9 PolarHBondContact O-N 3.48Å; L7-E10 PolarHBondContact O-N 3.32Å; L7-K11 HydrophobicContact CD2-CG 4.39Å; L7-K11 WeakPolarHBondContact O-CB 3.36Å; L7-K11 PolarHBondContact O-N 3.49Å; L7-L50 HydrophobicContact CB-CD2 3.91Å; L7-L53 HydrophobicContact CB-CD1 4.46Å; L7-L53 HydrophobicContact CD1-CB 3.91Å; L7-L53 HydrophobicContact CD1-CD1 4.42Å; L7-L53 HydrophobicContact CD2-CD1 4.35Å; L7-V54 HydrophobicContact CD1-CG1 3.63Å
8L91.2Very high88.8Confident2 Ų281.9 Ų81.91%0.0141%0.41CS..Hα-helixtrans-57.3-46.4173.8177.872.3000110.8I4 K5 A6 F12 G13 Y14 F17 I46 L50I4-L8 WeakPolarHBondContact O-CB 3.36Å; I4-L8 PolarHBondContact O-N 3.02Å; K5-L8 WeakPolarHBondContact O-CB 3.38Å; K5-L8 PolarHBondContact O-N 3.21Å; A6-L8 VanDerWaalsContact C-N 3.35Å; A6-L8 PolarHBondContact O-N 2.83Å; L8-F12 CarbonylContact O-C 3.6Å; L8-F12 WeakPolarHBondContact O-CA 3.42Å; L8-F12 WeakPolarHBondContact O-CB 3.37Å; L8-F12 PolarHBondContact O-N 2.98Å; L8-F12 VanDerWaalsContact O-N 3.11Å; L8-G13 PolarHBondContact O-N 3.46Å; L8-Y14 CarbonylContact C-O 3.45Å; L8-Y14 HydrophobicContact CD1-CD2 3.91Å; L8-Y14 HydrophobicContact CD1-CG 4.4Å; L8-Y14 WeakPolarHBondContact CG-O 3.46Å; L8-Y14 PolarHBondContact O-N 2.95Å; L8-F17 HydrophobicContact CB-CE1 4.47Å; L8-F17 HydrophobicContact CB-CZ 4.46Å; L8-F17 HydrophobicContact CD1-CE1 4.29Å; L8-F17 HydrophobicContact CD2-CD1 3.86Å; L8-F17 HydrophobicContact CD2-CE1 3.71Å; L8-F17 HydrophobicContact CD2-CE2 4.44Å; L8-F17 HydrophobicContact CD2-CG 4.25Å; L8-F17 HydrophobicContact CD2-CZ 3.97Å; L8-F17 HydrophobicContact CG-CE1 4.36Å; L8-I46 HydrophobicContact CD1-CG2 4.15Å; L8-L50 HydrophobicContact CB-CD1 4.02Å; L8-L50 HydrophobicContact CB-CD2 4.39Å; L8-L50 HydrophobicContact CD1-CD1 3.83Å; L8-L50 HydrophobicContact CG-CD1 4.47Å
9S90Very high88.8Confident62 Ų6283.9 Ų83.943%0.43442%0.423SS..Hα-helixtrans-73.1-42.1178.8-173.40000112.4K5 A6 L7 G13 Y14K5-S9 PolarHBondContact O-N 2.73Å; A6-S9 PolarHBondContact O-N 3.45Å; L7-S9 VanDerWaalsContact C-N 3.3Å; L7-S9 PolarHBondContact O-N 3.48Å; S9-G13 VanDerWaalsContact O-CA 3.29Å; S9-G13 WeakPolarHBondContact O-CA 3.28Å; S9-G13 PolarHBondContact O-N 3.3Å; S9-G13 VanDerWaalsContact O-N 3.16Å; S9-Y14 VanDerWaalsContact CA-O 3.26Å; S9-Y14 WeakPolarHBondContact CA-O 3.32Å; S9-Y14 PolarHBondContact N-O 3.16Å
10E90.1Very high88.8Confident130 Ų13080.2 Ų80.261%0.60741%0.406SS*.Hα-helixtrans-67.6-46.7-177.2-174.1-161.8141.100112.2A6 L7A6-E10 WeakPolarHBondContact O-CB 3.31Å; A6-E10 PolarHBondContact O-N 3.3Å; L7-E10 PolarHBondContact O-N 3.32Å
11K89Confident89.1Confident58 Ų5876.7 Ų76.725%0.25239%0.388SS..Hα-helixtrans-93.7-33.7-171.8-62.4-60.3-173.2-177.90113.6L7 L53 I81L7-K11 HydrophobicContact CD2-CG 4.39Å; L7-K11 WeakPolarHBondContact O-CB 3.36Å; L7-K11 PolarHBondContact O-N 3.49Å; K11-L53 HydrophobicContact CG-CD1 4.12Å; K11-I81 HydrophobicContact CB-CD1 4.3Å; K11-I81 HydrophobicContact CG-CD1 4.45Å
12F87Confident89.5Confident41 Ų4175.9 Ų75.918%0.1838%0.383CS..Hα-helixtrans-115.9-6.3-173.8-57.1-82.8000113.6L8 Y14 I46 Q49 L50 I81L8-F12 CarbonylContact O-C 3.6Å; L8-F12 WeakPolarHBondContact O-CA 3.42Å; L8-F12 WeakPolarHBondContact O-CB 3.37Å; L8-F12 PolarHBondContact O-N 2.98Å; L8-F12 VanDerWaalsContact O-N 3.11Å; F12-Y14 HydrophobicContact CB-CD2 3.57Å; F12-Y14 HydrophobicContact CB-CE2 3.79Å; F12-Y14 PolarHBondContact O-N 3.4Å; F12-I46 HydrophobicContact CB-CD1 4.38Å; F12-I46 HydrophobicContact CD1-CD1 3.55Å; F12-I46 HydrophobicContact CD2-CD1 4.01Å; F12-I46 HydrophobicContact CE1-CD1 3.69Å; F12-I46 HydrophobicContact CE2-CD1 4.14Å; F12-I46 HydrophobicContact CG-CD1 3.71Å; F12-I46 HydrophobicContact CZ-CD1 3.99Å; F12-Q49 HydrophobicContact CZ-CB 4.01Å; F12-L50 HydrophobicContact CD2-CD2 4.01Å; F12-L50 HydrophobicContact CD2-CG 4.47Å; F12-L50 HydrophobicContact CE2-CD2 3.69Å; F12-L50 HydrophobicContact CE2-CG 4.06Å; F12-I81 HydrophobicContact CE1-CD1 4.48Å; F12-I81 HydrophobicContact CE2-CD1 4.27Å; F12-I81 HydrophobicContact CZ-CD1 3.78Å
13G86.2Confident89.9Confident58 Ų5872.1 Ų72.160%0.59837%0.366SS*.  trans71.711.4177.700000114.9L8 S9L8-G13 PolarHBondContact O-N 3.46Å; S9-G13 VanDerWaalsContact O-CA 3.29Å; S9-G13 WeakPolarHBondContact O-CA 3.28Å; S9-G13 PolarHBondContact O-N 3.3Å; S9-G13 VanDerWaalsContact O-N 3.16Å
14Y85.6Confident90.1Very high110 Ų11064.1 Ų64.143%0.43134%0.336SS..  trans-95.9133.6179.4-55.5-58.8000111.1L8 S9 F12L8-Y14 CarbonylContact C-O 3.45Å; L8-Y14 HydrophobicContact CD1-CD2 3.91Å; L8-Y14 HydrophobicContact CD1-CG 4.4Å; L8-Y14 WeakPolarHBondContact CG-O 3.46Å; L8-Y14 PolarHBondContact O-N 2.95Å; S9-Y14 VanDerWaalsContact CA-O 3.26Å; S9-Y14 WeakPolarHBondContact CA-O 3.32Å; S9-Y14 PolarHBondContact N-O 3.16Å; F12-Y14 HydrophobicContact CB-CD2 3.57Å; F12-Y14 HydrophobicContact CB-CE2 3.79Å; F12-Y14 PolarHBondContact O-N 3.4Å
15T83.5Confident90.4Very high125 Ų12563.9 Ų63.977%0.76734%0.335SS*.SBendtrans-87.3-20.9-18053.50000113.1
16Q87.7Confident90.6Very high154 Ų15462.5 Ų62.572%0.7233%0.33SS*.SBendtrans-140.7150.5-175.8-62.5-177.51.100110.8
17F89Confident90.8Very high33 Ų3361.2 Ų61.215%0.14531%0.313CS..PPolyproline II helixtrans-71.1144.1170.2-72.2-66.1000110.6M1 I4 K5 L8 Q21 E22 I25 L50M1-F17 HydrophobicContact CE-CE2 4.37Å; I4-F17 HydrophobicContact CG2-CE1 4.39Å; I4-F17 HydrophobicContact CG2-CZ 3.65Å; K5-F17 HydrophobicContact CD-CE2 4.35Å; K5-F17 HydrophobicContact CG-CD2 4.44Å; K5-F17 HydrophobicContact CG-CE2 3.55Å; K5-F17 HydrophobicContact CG-CZ 4.23Å; L8-F17 HydrophobicContact CB-CE1 4.47Å; L8-F17 HydrophobicContact CB-CZ 4.46Å; L8-F17 HydrophobicContact CD1-CE1 4.29Å; L8-F17 HydrophobicContact CD2-CD1 3.86Å; L8-F17 HydrophobicContact CD2-CE1 3.71Å; L8-F17 HydrophobicContact CD2-CE2 4.44Å; L8-F17 HydrophobicContact CD2-CG 4.25Å; L8-F17 HydrophobicContact CD2-CZ 3.97Å; L8-F17 HydrophobicContact CG-CE1 4.36Å; F17-Q21 HydrophobicContact CB-CB 4.18Å; F17-Q21 HydrophobicContact CD1-CB 3.83Å; F17-Q21 HydrophobicContact CG-CB 4.36Å; F17-E22 HydrophobicContact CB-CB 4.12Å; F17-E22 HydrophobicContact CD2-CB 3.68Å; F17-E22 HydrophobicContact CD2-CG 4Å; F17-E22 HydrophobicContact CE2-CB 4.34Å; F17-E22 HydrophobicContact CE2-CG 4.3Å; F17-E22 HydrophobicContact CG-CB 3.92Å; F17-I25 HydrophobicContact CD1-CD1 4.33Å; F17-I25 HydrophobicContact CE1-CD1 3.74Å; F17-I25 HydrophobicContact CZ-CD1 4.41Å; F17-L50 HydrophobicContact CE1-CD1 3.67Å; F17-L50 HydrophobicContact CZ-CD1 4.24Å
18R87.7Confident91Very high103 Ų10360.2 Ų60.239%0.38931%0.308SS..PPolyproline II helixtrans-72.1161.3162.2-62.1-179.7178.1-177.2-3.2109.3G20 Q21 G41R18-G20 PolarHBondContact O-N 3.22Å; R18-Q21 HydrophobicContact CB-CG 4.16Å; R18-Q21 WeakPolarHBondContact O-CB 3.14Å; R18-Q21 PolarHBondContact O-N 3.35Å; R18-Q21 VanDerWaalsContact O-N 3.12Å; R18-G41 PolarHBondContact NH1-O 2.95Å
19N87.5Confident91.2Very high121 Ų12162.7 Ų62.765%0.64732%0.321SS*.THydrogen-bonded Turntrans-49.8134.3-178.1-165.920.2000111.6Q21 T198N19-Q21 PolarHBondContact O-N 2.98Å; N19-Q21 VanDerWaalsContact O-N 3.07Å; N19-T198 PolarHBondContact ND2-O 2.98Å; N19-T198 WeakPolarHBondContact O-CG2 3.38Å
20G90.4Very high91.5Very high9 Ų965.5 Ų65.59%0.09333%0.328CS..THydrogen-bonded Turntrans65.9-11.8-177.300000118.4R18 E22 E23 I24 T198R18-G20 PolarHBondContact O-N 3.22Å; G20-E22 VanDerWaalsContact C-N 3.31Å; G20-E22 PolarHBondContact O-N 3.43Å; G20-E23 PolarHBondContact O-N 3.44Å; G20-I24 WeakPolarHBondContact O-CB 3.42Å; G20-I24 VanDerWaalsContact O-CG1 3.27Å; G20-I24 WeakPolarHBondContact O-CG1 3.46Å; G20-I24 PolarHBondContact O-N 2.84Å; G20-T198 VanDerWaalsContact CA-CG2 3.45Å
21Q94.1Very high91.7Very high6 Ų664.1 Ų64.13%0.02832%0.319CS..Hα-helixtrans-59.5-44.3176.8-69.1-176.8-36.600111.4F17 R18 N19 E23 I25 M38 G43F17-Q21 HydrophobicContact CB-CB 4.18Å; F17-Q21 HydrophobicContact CD1-CB 3.83Å; F17-Q21 HydrophobicContact CG-CB 4.36Å; R18-Q21 HydrophobicContact CB-CG 4.16Å; R18-Q21 WeakPolarHBondContact O-CB 3.14Å; R18-Q21 PolarHBondContact O-N 3.35Å; R18-Q21 VanDerWaalsContact O-N 3.12Å; N19-Q21 PolarHBondContact O-N 2.98Å; N19-Q21 VanDerWaalsContact O-N 3.07Å; Q21-E23 PolarHBondContact O-N 3.23Å; Q21-I25 WeakPolarHBondContact O-CB 3.27Å; Q21-I25 WeakPolarHBondContact O-CD1 3.37Å; Q21-I25 WeakPolarHBondContact O-CG1 3.25Å; Q21-I25 PolarHBondContact O-N 3.03Å; Q21-M38 HydrophobicContact CG-CE 3.63Å; Q21-G43 PolarHBondContact NE2-O 3.33Å
22E94.9Very high92.1Very high58 Ų5864.7 Ų64.727%0.27132%0.323SS..Hα-helixtrans-61.5-44.5-179.7-175160.9-161.400111.7M1 K5 F17 G20 I25 Q26M1-E22 HydrophobicContact CE-CG 3.84Å; K5-E22 WeakPolarHBondContact CE-OE1 3.4Å; K5-E22 IonicContact NZ-OE1 2.72Å; K5-E22 PolarHBondContact NZ-OE1 3.04Å; K5-E22 IonicContact NZ-OE2 3.92Å; K5-E22 PolarHBondContact NZ-OE2 2.99Å; F17-E22 HydrophobicContact CB-CB 4.12Å; F17-E22 HydrophobicContact CD2-CB 3.68Å; F17-E22 HydrophobicContact CD2-CG 4Å; F17-E22 HydrophobicContact CE2-CB 4.34Å; F17-E22 HydrophobicContact CE2-CG 4.3Å; F17-E22 HydrophobicContact CG-CB 3.92Å; G20-E22 VanDerWaalsContact C-N 3.31Å; G20-E22 PolarHBondContact O-N 3.43Å; E22-I25 PolarHBondContact O-N 3.46Å; E22-Q26 WeakPolarHBondContact O-CB 3.27Å; E22-Q26 VanDerWaalsContact O-CG 3.23Å; E22-Q26 WeakPolarHBondContact O-CG 3.48Å; E22-Q26 PolarHBondContact O-N 3.12Å
23E95.4Very high92.6Very high94 Ų9464.8 Ų64.844%0.43933%0.325SS..Hα-helixtrans-66.5-45.7-179.7-174.3175.5-171.200112.2G20 Q21 I25 Q26 K27 I196G20-E23 PolarHBondContact O-N 3.44Å; Q21-E23 PolarHBondContact O-N 3.23Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.01Å; E23-Q26 PolarHBondContact O-N 3.15Å; E23-K27 PolarHBondContact O-N 3.13Å; E23-I196 HydrophobicContact CG-CD1 3.82Å; E23-I196 HydrophobicContact CG-CG1 4.16Å; E23-I196 WeakPolarHBondContact OE1-CD1 3.22Å
24I96.6Very high93.1Very high0 Ų062 Ų620%030%0.297CS..Hα-helixtrans-58.3-48.7175.8-69.8165.6000110.1G20 Q26 K27 V28 V34 M38 C47 I170 I196G20-I24 WeakPolarHBondContact O-CB 3.42Å; G20-I24 VanDerWaalsContact O-CG1 3.27Å; G20-I24 WeakPolarHBondContact O-CG1 3.46Å; G20-I24 PolarHBondContact O-N 2.84Å; I24-Q26 VanDerWaalsContact C-N 3.34Å; I24-Q26 PolarHBondContact O-N 3.03Å; I24-K27 PolarHBondContact O-N 3.24Å; I24-V28 WeakPolarHBondContact O-CG2 3.45Å; I24-V28 PolarHBondContact O-N 3.43Å; I24-V34 HydrophobicContact CB-CG1 4.36Å; I24-V34 HydrophobicContact CG1-CG1 4.11Å; I24-V34 HydrophobicContact CG2-CG1 3.98Å; I24-M38 HydrophobicContact CD1-CE 4.42Å; I24-M38 HydrophobicContact CD1-CG 4.11Å; I24-M38 HydrophobicContact CD1-SD 3.61Å; I24-C47 HydrophobicContact CG2-CB 3.72Å; I24-I170 HydrophobicContact CG2-CD1 3.51Å; I24-I170 HydrophobicContact CG2-CG1 4.28Å; I24-I196 HydrophobicContact CD1-CB 4.29Å; I24-I196 HydrophobicContact CD1-CG2 4.29Å; I24-I196 HydrophobicContact CG1-CB 3.79Å; I24-I196 HydrophobicContact CG1-CG1 3.95Å; I24-I196 HydrophobicContact CG1-CG2 3.96Å
25I96.7Very high93.7Very high0 Ų056.8 Ų56.80%028%0.276CS..Hα-helixtrans-62.5-42179.9-71.2167000110.9M1 I4 F17 Q21 E22 E23 V28 L29 L50 P51M1-I25 HydrophobicContact CE-CG2 4.38Å; M1-I25 HydrophobicContact SD-CG2 4.43Å; I4-I25 HydrophobicContact CG2-CG2 4.04Å; F17-I25 HydrophobicContact CD1-CD1 4.33Å; F17-I25 HydrophobicContact CE1-CD1 3.74Å; F17-I25 HydrophobicContact CZ-CD1 4.41Å; Q21-I25 WeakPolarHBondContact O-CB 3.27Å; Q21-I25 WeakPolarHBondContact O-CD1 3.37Å; Q21-I25 WeakPolarHBondContact O-CG1 3.25Å; Q21-I25 PolarHBondContact O-N 3.03Å; E22-I25 PolarHBondContact O-N 3.46Å; E23-I25 VanDerWaalsContact C-N 3.34Å; E23-I25 PolarHBondContact O-N 3.01Å; I25-V28 PolarHBondContact O-N 3.5Å; I25-L29 HydrophobicContact CG2-CD1 3.86Å; I25-L29 HydrophobicContact CG2-CG 4.29Å; I25-L29 VanDerWaalsContact O-CG 3.26Å; I25-L29 WeakPolarHBondContact O-CG 3.29Å; I25-L29 PolarHBondContact O-N 2.83Å; I25-L50 HydrophobicContact CD1-CB 4.26Å; I25-L50 HydrophobicContact CD1-CD1 3.94Å; I25-P51 HydrophobicContact CG1-CG 4.27Å; I25-P51 HydrophobicContact CG2-CG 4.23Å
26Q96.2Very high94.3Very high69 Ų6950.9 Ų50.932%0.32224%0.24SC..Hα-helixtrans-59.7-47.7177.9-78.5176.410.100111.9M1 E22 E23 I24 V28 L29 Q30M1-Q26 HydrophobicContact CE-CG 3.88Å; M1-Q26 HydrophobicContact CG-CG 3.83Å; M1-Q26 HydrophobicContact SD-CG 3.52Å; M1-Q26 VanDerWaalsContact SD-CG 3.52Å; E22-Q26 WeakPolarHBondContact O-CB 3.27Å; E22-Q26 VanDerWaalsContact O-CG 3.23Å; E22-Q26 WeakPolarHBondContact O-CG 3.48Å; E22-Q26 PolarHBondContact O-N 3.12Å; E23-Q26 PolarHBondContact O-N 3.15Å; I24-Q26 VanDerWaalsContact C-N 3.34Å; I24-Q26 PolarHBondContact O-N 3.03Å; Q26-V28 PolarHBondContact O-N 2.83Å; Q26-L29 PolarHBondContact O-N 2.76Å; Q26-Q30 VanDerWaalsContact O-CG 3.28Å; Q26-Q30 WeakPolarHBondContact O-CG 3.28Å; Q26-Q30 PolarHBondContact O-N 2.93Å
27K96.6Very high94.6Very high31 Ų3143.6 Ų43.614%0.13521%0.206CC..Hα-helixtrans-62.7-41.2177.6-72.8-179.2175.2-74.30112.2E23 I24 L29 Q30 K31 Q32 V34 E193 N194 I196E23-K27 PolarHBondContact O-N 3.13Å; I24-K27 PolarHBondContact O-N 3.24Å; K27-L29 PolarHBondContact O-N 2.98Å; K27-Q30 CarbonylContact O-C 3.58Å; K27-Q30 WeakPolarHBondContact O-CA 3.45Å; K27-Q30 WeakPolarHBondContact O-CB 3.1Å; K27-Q30 PolarHBondContact O-N 3.22Å; K27-Q30 VanDerWaalsContact O-N 3.14Å; K27-K31 PolarHBondContact O-N 3.46Å; K27-Q32 HydrophobicContact CB-CB 4.41Å; K27-Q32 WeakPolarHBondContact O-CB 3.46Å; K27-Q32 PolarHBondContact O-N 2.96Å; K27-V34 HydrophobicContact CB-CG2 3.31Å; K27-V34 HydrophobicContact CD-CG2 4.03Å; K27-V34 HydrophobicContact CG-CG2 4.32Å; K27-E193 WeakPolarHBondContact CE-O 3.46Å; K27-E193 PolarHBondContact NZ-O 3Å; K27-N194 HydrophobicContact CD-CB 4.17Å; K27-N194 PolarHBondContact NZ-OD1 3.31Å; K27-I196 HydrophobicContact CD-CD1 4.18Å; K27-I196 HydrophobicContact CD-CG1 4.33Å
28V96.7Very high94.8Very high1 Ų142.1 Ų42.11%0.00620%0.199CC..Hα-helixtrans-60.5-44174.4168.90000111.6I24 I25 Q26 Q30 K31 V34 P51 L133 I170I24-V28 WeakPolarHBondContact O-CG2 3.45Å; I24-V28 PolarHBondContact O-N 3.43Å; I25-V28 PolarHBondContact O-N 3.5Å; Q26-V28 PolarHBondContact O-N 2.83Å; V28-Q30 PolarHBondContact O-N 2.84Å; V28-K31 WeakPolarHBondContact O-CA 3.38Å; V28-K31 PolarHBondContact O-N 2.88Å; V28-V34 HydrophobicContact CG2-CB 4.49Å; V28-V34 HydrophobicContact CG2-CG2 4.16Å; V28-P51 HydrophobicContact CG1-CB 3.95Å; V28-P51 HydrophobicContact CG1-CG 4Å; V28-L133 HydrophobicContact CG1-CD1 3.66Å; V28-L133 HydrophobicContact CG1-CD2 3.95Å; V28-L133 HydrophobicContact CG1-CG 4.45Å; V28-I170 HydrophobicContact CG2-CB 4.05Å; V28-I170 HydrophobicContact CG2-CD1 4.04Å; V28-I170 HydrophobicContact CG2-CG1 4.26Å
29L95.4Very high94.7Very high53 Ų5338 Ų3828%0.27719%0.186SC..Hα-helixtrans-68.9-23.8177.5-66.7175.1000113M1 I4 I25 Q26 K27 K31 P51 V54 L55M1-L29 HydrophobicContact SD-CD1 3.96Å; I4-L29 HydrophobicContact CD1-CD1 4.4Å; I4-L29 HydrophobicContact CG1-CD1 3.94Å; I25-L29 HydrophobicContact CG2-CD1 3.86Å; I25-L29 HydrophobicContact CG2-CG 4.29Å; I25-L29 VanDerWaalsContact O-CG 3.26Å; I25-L29 WeakPolarHBondContact O-CG 3.29Å; I25-L29 PolarHBondContact O-N 2.83Å; Q26-L29 PolarHBondContact O-N 2.76Å; K27-L29 PolarHBondContact O-N 2.98Å; L29-K31 PolarHBondContact O-N 3.46Å; L29-P51 HydrophobicContact CD2-CB 4.42Å; L29-V54 HydrophobicContact CD2-CG2 3.49Å; L29-V54 VanDerWaalsContact CD2-CG2 3.49Å; L29-L55 HydrophobicContact CD2-CD2 4.26Å
30Q95.2Very high94.3Very high122 Ų12232.6 Ų32.657%0.5716%0.158SC*.THydrogen-bonded Turntrans-80.99.2169.6-67.9168.76.600112.9Q26 K27 V28 Q32Q26-Q30 VanDerWaalsContact O-CG 3.28Å; Q26-Q30 WeakPolarHBondContact O-CG 3.28Å; Q26-Q30 PolarHBondContact O-N 2.93Å; K27-Q30 CarbonylContact O-C 3.58Å; K27-Q30 WeakPolarHBondContact O-CA 3.45Å; K27-Q30 WeakPolarHBondContact O-CB 3.1Å; K27-Q30 PolarHBondContact O-N 3.22Å; K27-Q30 VanDerWaalsContact O-N 3.14Å; V28-Q30 PolarHBondContact O-N 2.84Å; Q30-Q32 HydrophobicContact CB-CG 4.23Å; Q30-Q32 PolarHBondContact O-N 3.25Å
31K94.8Very high93.6Very high100 Ų10033.5 Ų33.544%0.43517%0.167SC..THydrogen-bonded Turntrans59.928.7-179.6-58.3-68-173.9175.50113.6K27 V28 L29 E132 T168K27-K31 PolarHBondContact O-N 3.46Å; V28-K31 WeakPolarHBondContact O-CA 3.38Å; V28-K31 PolarHBondContact O-N 2.88Å; L29-K31 PolarHBondContact O-N 3.46Å; K31-E132 IonicContact NZ-OE2 3.52Å; K31-E132 PolarHBondContact NZ-OE2 3.13Å; K31-T168 WeakPolarHBondContact CA-OG1 3.21Å; K31-T168 VanDerWaalsContact CD-OG1 3.28Å; K31-T168 WeakPolarHBondContact CD-OG1 3.46Å
32Q96.5Very high93Very high71 Ų7133.8 Ų33.833%0.33217%0.171SC..  trans-95.5139.1175.8-61.4-177.2-25.100110.5K27 Q30 V34 T168 N194K27-Q32 HydrophobicContact CB-CB 4.41Å; K27-Q32 WeakPolarHBondContact O-CB 3.46Å; K27-Q32 PolarHBondContact O-N 2.96Å; Q30-Q32 HydrophobicContact CB-CG 4.23Å; Q30-Q32 PolarHBondContact O-N 3.25Å; Q32-V34 WeakPolarHBondContact O-CG2 3.42Å; Q32-T168 WeakPolarHBondContact O-CG2 3.31Å; Q32-N194 PolarHBondContact OE1-OD1 2.89Å
33N97.3Very high92.5Very high43 Ų4332 Ų3223%0.2317%0.168CC..  trans-70.2137172.5-62.5-18.3000109.9V169 H189 I190 N194N33-V169 CarbonylContact C-O 3.59Å; N33-V169 WeakPolarHBondContact CA-O 3.43Å; N33-V169 HydrophobicContact CB-CB 4.32Å; N33-V169 PolarHBondContact OD1-N 3.43Å; N33-H189 PolarHBondContact ND2-O 2.67Å; N33-I190 HydrophobicContact CB-CG1 3.91Å; N33-N194 WeakPolarHBondContact O-CB 3.49Å; N33-N194 PolarHBondContact O-ND2 3.25Å
34V98Very high92.3Very high0 Ų028.4 Ų28.40%015%0.151CC..EExtended strand (participates in β ladder)trans-133137.6-171.2179.60000111.5I24 K27 V28 Q32 V169 I170 A171 N194 I196I24-V34 HydrophobicContact CB-CG1 4.36Å; I24-V34 HydrophobicContact CG1-CG1 4.11Å; I24-V34 HydrophobicContact CG2-CG1 3.98Å; K27-V34 HydrophobicContact CB-CG2 3.31Å; K27-V34 HydrophobicContact CD-CG2 4.03Å; K27-V34 HydrophobicContact CG-CG2 4.32Å; V28-V34 HydrophobicContact CG2-CB 4.49Å; V28-V34 HydrophobicContact CG2-CG2 4.16Å; Q32-V34 WeakPolarHBondContact O-CG2 3.42Å; V34-V169 PolarHBondContact N-O 2.96Å; V34-I170 WeakPolarHBondContact O-CA 3.46Å; V34-A171 PolarHBondContact O-N 2.72Å; V34-N194 WeakPolarHBondContact CG1-O 3.34Å; V34-N194 HydrophobicContact CG2-CB 4.45Å; V34-I196 HydrophobicContact CG1-CG1 4.35Å
35L97.7Very high92Very high0 Ų029.5 Ų29.50%016%0.159CC..EExtended strand (participates in β ladder)trans-106.5110.5165.9173.656.7000108.5I37 A171 T173 A181 I184 S185 I190 N194 E195 I196L35-I37 HydrophobicContact CD1-CG1 4.18Å; L35-I37 HydrophobicContact CD2-CD1 4.12Å; L35-I37 HydrophobicContact CD2-CG1 4.41Å; L35-I37 HydrophobicContact CG-CD1 4.25Å; L35-I37 HydrophobicContact CG-CG1 4.03Å; L35-A171 CarbonylContact C-O 3.52Å; L35-A171 WeakPolarHBondContact CA-O 3.41Å; L35-A171 HydrophobicContact CD1-CB 3.91Å; L35-T173 HydrophobicContact CD1-CG2 4.38Å; L35-A181 HydrophobicContact CD2-CB 4.1Å; L35-A181 WeakPolarHBondContact CD2-O 3.4Å; L35-I184 HydrophobicContact CD1-CD1 4.49Å; L35-I184 HydrophobicContact CD1-CG2 3.95Å; L35-I184 HydrophobicContact CD2-CB 4.45Å; L35-I184 HydrophobicContact CD2-CG2 4.4Å; L35-S185 VanDerWaalsContact CD2-OG 3.31Å; L35-S185 WeakPolarHBondContact CD2-OG 3.24Å; L35-I190 HydrophobicContact CB-CD1 3.96Å; L35-I190 HydrophobicContact CB-CG2 4.01Å; L35-N194 PolarHBondContact N-O 3.4Å; L35-E195 HydrophobicContact CD2-CG 4.2Å; L35-E195 HydrophobicContact CG-CG 4.43Å; L35-E195 CarbonylContact O-C 3.45Å; L35-E195 WeakPolarHBondContact O-CA 3.28Å; L35-I196 PolarHBondContact O-N 3.02Å
36G96.3Very high91.9Very high0 Ų030 Ų300%016%0.162CC..EExtended strand (participates in β ladder)trans-99.5112.4174.400000111.3A171 L172 T173G36-A171 PolarHBondContact N-O 3.22Å; G36-L172 WeakPolarHBondContact O-CA 3.39Å; G36-T173 PolarHBondContact O-N 3.25Å; G36-T173 VanDerWaalsContact O-N 3.11Å
37I94.6Very high91.9Very high2 Ų226.8 Ų26.81%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-104106.3174.1-57.4168.8000107.7L35 T173 A176 A181 E195 I196 K197 T198 F200L35-I37 HydrophobicContact CD1-CG1 4.18Å; L35-I37 HydrophobicContact CD2-CD1 4.12Å; L35-I37 HydrophobicContact CD2-CG1 4.41Å; L35-I37 HydrophobicContact CG-CD1 4.25Å; L35-I37 HydrophobicContact CG-CG1 4.03Å; I37-T173 WeakPolarHBondContact CA-O 3.42Å; I37-T173 HydrophobicContact CG1-CG2 4.06Å; I37-A176 HydrophobicContact CD1-CB 4.22Å; I37-A176 HydrophobicContact CG1-CB 4.39Å; I37-A181 HydrophobicContact CD1-CB 3.62Å; I37-E195 HydrophobicContact CD1-CG 4.32Å; I37-I196 PolarHBondContact N-O 2.85Å; I37-K197 HydrophobicContact CB-CG 4.08Å; I37-K197 HydrophobicContact CD1-CD 4.45Å; I37-K197 HydrophobicContact CD1-CG 3.99Å; I37-T198 PolarHBondContact O-N 3.1Å; I37-T198 VanDerWaalsContact O-N 3.15Å; I37-T198 PolarHBondContact O-OG1 2.76Å; I37-F200 HydrophobicContact CG2-CE1 3.6Å; I37-F200 HydrophobicContact CG2-CE2 4.14Å; I37-F200 HydrophobicContact CG2-CZ 3.26Å
38M91.9Very high91.9Very high1 Ų125.3 Ų25.31%0.00514%0.14CC..  trans-133.2141.8-170.4-50.9179.275.300110.2Q21 I24 K44 L172 T173 A174 T198Q21-M38 HydrophobicContact CG-CE 3.63Å; I24-M38 HydrophobicContact CD1-CE 4.42Å; I24-M38 HydrophobicContact CD1-CG 4.11Å; I24-M38 HydrophobicContact CD1-SD 3.61Å; M38-K44 HydrophobicContact CB-CD 4.42Å; M38-K44 HydrophobicContact CB-CG 4.05Å; M38-K44 HydrophobicContact SD-CG 4.31Å; M38-L172 HydrophobicContact SD-CD2 4.26Å; M38-T173 PolarHBondContact N-O 3.31Å; M38-A174 WeakPolarHBondContact O-CA 3.45Å; M38-A174 WeakPolarHBondContact O-CB 3.45Å; M38-T198 WeakPolarHBondContact CA-OG1 2.99Å; M38-T198 HydrophobicContact CG-CG2 4.38Å
39P85.8Confident91.9Very high17 Ų1725.7 Ų25.711%0.1114%0.142CC..  trans-62.4158.7-173.827.5-32.4000111G41 G42 T198 G199 Y312P39-G41 PolarHBondContact O-N 3.39Å; P39-G42 WeakPolarHBondContact O-CA 3.44Å; P39-G42 PolarHBondContact O-N 3.34Å; P39-T198 WeakPolarHBondContact CD-OG1 3.36Å; P39-G199 VanDerWaalsContact CD-O 3.26Å; P39-G199 WeakPolarHBondContact CD-O 3.19Å; P39-Y312 VanDerWaalsContact CB-OH 3.28Å; P39-Y312 WeakPolarHBondContact CB-OH 3.42Å
40T79.2Confident91.8Very high8 Ų823.2 Ų23.25%0.04913%0.129CC..THydrogen-bonded Turntrans-54.8132.1173.2-59.10000109.2G42 R202T40-G42 VanDerWaalsContact C-N 3.25Å; T40-G42 PolarHBondContact O-N 2.97Å; T40-R202 PolarHBondContact O-NH1 2.64Å
41G75.7Confident91.9Very high27 Ų2717.4 Ų17.428%0.27810%0.101SC..THydrogen-bonded Turntrans77.21.9-174.400000114.7R18 P39 G43R18-G41 PolarHBondContact NH1-O 2.95Å; P39-G41 PolarHBondContact O-N 3.39Å; G41-G43 PolarHBondContact O-N 3.22Å
42G80.8Confident91.9Very high12 Ų1212.6 Ų12.612%0.1248%0.081CC..SBendtrans-67.6-1.4177.300000115.3P39 T40P39-G42 WeakPolarHBondContact O-CA 3.44Å; P39-G42 PolarHBondContact O-N 3.34Å; T40-G42 VanDerWaalsContact C-N 3.25Å; T40-G42 PolarHBondContact O-N 2.97Å
43G85.1Confident91.8Very high20 Ų2010.6 Ų10.621%0.2067%0.072CC..  trans80.437.9178.600000113.7Q21 G41 S45 I46Q21-G43 PolarHBondContact NE2-O 3.33Å; G41-G43 PolarHBondContact O-N 3.22Å; G43-S45 VanDerWaalsContact C-N 3.26Å; G43-S45 PolarHBondContact O-N 3.45Å; G43-I46 WeakPolarHBondContact O-CB 3.43Å; G43-I46 PolarHBondContact O-N 2.85Å
44K90.7Very high91.7Very high20 Ų2010.2 Ų10.29%0.0877%0.071CC..THydrogen-bonded Turntrans-50.6-43.1179.6-54.1-163.3-51.9-106.10112.8M38 I46 C47 E138 L172M38-K44 HydrophobicContact CB-CD 4.42Å; M38-K44 HydrophobicContact CB-CG 4.05Å; M38-K44 HydrophobicContact SD-CG 4.31Å; K44-I46 PolarHBondContact O-N 2.96Å; K44-C47 WeakPolarHBondContact O-CB 3.27Å; K44-C47 PolarHBondContact O-N 2.97Å; K44-E138 IonicContact NZ-OE1 3.65Å; K44-E138 PolarHBondContact NZ-OE1 2.74Å; K44-E138 IonicContact NZ-OE2 2.84Å; K44-L172 HydrophobicContact CB-CB 4.31Å; K44-L172 HydrophobicContact CB-CD1 4.24Å; K44-L172 HydrophobicContact CB-CD2 4.45Å; K44-L172 HydrophobicContact CD-CB 4.28Å; K44-L172 WeakPolarHBondContact O-CD1 3.47Å
45S92.1Very high91.4Very high22 Ų2211 Ų1115%0.1548%0.075CC..THydrogen-bonded Turntrans-59.5-33.2-176-49.50000113.5G43 C47 Y48 Q49 Q72G43-S45 VanDerWaalsContact C-N 3.26Å; G43-S45 PolarHBondContact O-N 3.45Å; S45-C47 PolarHBondContact O-N 2.96Å; S45-Y48 PolarHBondContact O-N 3.22Å; S45-Y48 PolarHBondContact OG-OH 3.23Å; S45-Q49 VanDerWaalsContact O-CB 3.31Å; S45-Q49 WeakPolarHBondContact O-CB 3.24Å; S45-Q49 WeakPolarHBondContact O-CG 3.21Å; S45-Q49 PolarHBondContact O-N 3.46Å; S45-Q72 PolarHBondContact OG-NE2 2.94Å
46I93.5Very high91.1Very high12 Ų1219.2 Ų19.26%0.06211%0.114CC..Hα-helixtrans-59.4-30.7177.1-65.5-64.7000111.5L8 F12 G43 K44 Y48 Q49 L50L8-I46 HydrophobicContact CD1-CG2 4.15Å; F12-I46 HydrophobicContact CB-CD1 4.38Å; F12-I46 HydrophobicContact CD1-CD1 3.55Å; F12-I46 HydrophobicContact CD2-CD1 4.01Å; F12-I46 HydrophobicContact CE1-CD1 3.69Å; F12-I46 HydrophobicContact CE2-CD1 4.14Å; F12-I46 HydrophobicContact CG-CD1 3.71Å; F12-I46 HydrophobicContact CZ-CD1 3.99Å; G43-I46 WeakPolarHBondContact O-CB 3.43Å; G43-I46 PolarHBondContact O-N 2.85Å; K44-I46 PolarHBondContact O-N 2.96Å; I46-Y48 VanDerWaalsContact C-N 3.26Å; I46-Y48 PolarHBondContact O-N 3.3Å; I46-Q49 PolarHBondContact O-N 3.08Å; I46-L50 HydrophobicContact CG2-CD1 3.45Å; I46-L50 VanDerWaalsContact CG2-CD1 3.45Å; I46-L50 HydrophobicContact CG2-CG 4.01Å; I46-L50 PolarHBondContact O-N 2.62Å; I46-L50 VanDerWaalsContact O-N 3.09Å
47C96.2Very high91Very high0 Ų019.6 Ų19.60%012%0.118CC..Hα-helixtrans-66.2-22.6-178.5-59.30000113.9I24 K44 S45 P51 I170 L172I24-C47 HydrophobicContact CG2-CB 3.72Å; K44-C47 WeakPolarHBondContact O-CB 3.27Å; K44-C47 PolarHBondContact O-N 2.97Å; S45-C47 PolarHBondContact O-N 2.96Å; C47-P51 WeakPolarHBondContact O-CD 3.45Å; C47-P51 VanDerWaalsContact O-CG 3.22Å; C47-P51 WeakPolarHBondContact O-CG 3.38Å; C47-I170 HydrophobicContact CB-CD1 3.7Å; C47-L172 HydrophobicContact CB-CD1 4.17Å; C47-L172 HydrophobicContact CB-CD2 4.2Å
48Y96.1Very high91.1Very high0 Ų019.7 Ų19.70%012%0.118CC..Hα-helixtrans-111.3-26.3170.859.7-106.1000113.1S45 I46 A52 V61 L109 Y111 A135 L172S45-Y48 PolarHBondContact O-N 3.22Å; S45-Y48 PolarHBondContact OG-OH 3.23Å; I46-Y48 VanDerWaalsContact C-N 3.26Å; I46-Y48 PolarHBondContact O-N 3.3Å; Y48-A52 WeakPolarHBondContact O-CB 3.42Å; Y48-A52 PolarHBondContact O-N 3.32Å; Y48-A52 VanDerWaalsContact O-N 3.16Å; Y48-V61 HydrophobicContact CD2-CG2 3.75Å; Y48-V61 HydrophobicContact CE1-CG1 4.3Å; Y48-V61 HydrophobicContact CE2-CG1 3.97Å; Y48-V61 HydrophobicContact CE2-CG2 3.74Å; Y48-L109 HydrophobicContact CD2-CD2 3.9Å; Y48-L109 HydrophobicContact CE2-CD2 4.17Å; Y48-Y111 HydrophobicContact CE2-CE1 4.38Å; Y48-Y111 WeakPolarHBondContact CE2-OH 3.27Å; Y48-A135 HydrophobicContact CD1-CB 3.79Å; Y48-A135 HydrophobicContact CD2-CB 4.4Å; Y48-A135 HydrophobicContact CG-CB 3.72Å; Y48-L172 HydrophobicContact CD1-CD1 3.49Å; Y48-L172 VanDerWaalsContact CD1-CD1 3.49Å; Y48-L172 HydrophobicContact CE1-CD1 3.89Å
49Q96.3Very high91.4Very high10 Ų1019.6 Ų19.65%0.04712%0.118CC..Hα-helixtrans-66.8-41.2178.4-73.4170.3-14.400112.6F12 S45 I46 A52 L76 L109 Y111F12-Q49 HydrophobicContact CZ-CB 4.01Å; S45-Q49 VanDerWaalsContact O-CB 3.31Å; S45-Q49 WeakPolarHBondContact O-CB 3.24Å; S45-Q49 WeakPolarHBondContact O-CG 3.21Å; S45-Q49 PolarHBondContact O-N 3.46Å; I46-Q49 PolarHBondContact O-N 3.08Å; Q49-A52 WeakPolarHBondContact O-CB 3.48Å; Q49-L76 HydrophobicContact CG-CD1 4.46Å; Q49-L76 HydrophobicContact CG-CD2 4.03Å; Q49-L109 HydrophobicContact CG-CD2 3.93Å; Q49-Y111 PolarHBondContact NE2-OH 3.33Å
50L95.1Very high91.9Very high0 Ų018.8 Ų18.80%011%0.112CC..Hα-helixtrans-70.5-46.7177.9-80173.9000113.2I4 L7 L8 F12 F17 I25 I46 A52 L53I4-L50 HydrophobicContact CD1-CB 4.3Å; I4-L50 HydrophobicContact CG2-CB 4.48Å; I4-L50 HydrophobicContact CG2-CD1 4.19Å; L7-L50 HydrophobicContact CB-CD2 3.91Å; L8-L50 HydrophobicContact CB-CD1 4.02Å; L8-L50 HydrophobicContact CB-CD2 4.39Å; L8-L50 HydrophobicContact CD1-CD1 3.83Å; L8-L50 HydrophobicContact CG-CD1 4.47Å; F12-L50 HydrophobicContact CD2-CD2 4.01Å; F12-L50 HydrophobicContact CD2-CG 4.47Å; F12-L50 HydrophobicContact CE2-CD2 3.69Å; F12-L50 HydrophobicContact CE2-CG 4.06Å; F17-L50 HydrophobicContact CE1-CD1 3.67Å; F17-L50 HydrophobicContact CZ-CD1 4.24Å; I25-L50 HydrophobicContact CD1-CB 4.26Å; I25-L50 HydrophobicContact CD1-CD1 3.94Å; I46-L50 HydrophobicContact CG2-CD1 3.45Å; I46-L50 VanDerWaalsContact CG2-CD1 3.45Å; I46-L50 HydrophobicContact CG2-CG 4.01Å; I46-L50 PolarHBondContact O-N 2.62Å; I46-L50 VanDerWaalsContact O-N 3.09Å; L50-A52 PolarHBondContact O-N 3.43Å; L50-L53 HydrophobicContact CD2-CD1 4.4Å; L50-L53 WeakPolarHBondContact O-CB 3.49Å; L50-L53 PolarHBondContact O-N 3.28Å; L50-L53 VanDerWaalsContact O-N 3.1Å
51P96.3Very high92.7Very high0 Ų018.4 Ų18.40%011%0.11CC..Hα-helixtrans-53.3-40.9171.9-3137.8000113.2I25 V28 L29 C47 L53 V54 L55 L133I25-P51 HydrophobicContact CG1-CG 4.27Å; I25-P51 HydrophobicContact CG2-CG 4.23Å; V28-P51 HydrophobicContact CG1-CB 3.95Å; V28-P51 HydrophobicContact CG1-CG 4Å; L29-P51 HydrophobicContact CD2-CB 4.42Å; C47-P51 WeakPolarHBondContact O-CD 3.45Å; C47-P51 VanDerWaalsContact O-CG 3.22Å; C47-P51 WeakPolarHBondContact O-CG 3.38Å; P51-L53 PolarHBondContact O-N 3.48Å; P51-V54 VanDerWaalsContact O-CG2 3.27Å; P51-V54 WeakPolarHBondContact O-CG2 3.35Å; P51-V54 PolarHBondContact O-N 3.48Å; P51-L55 HydrophobicContact CB-CD1 4.15Å; P51-L55 VanDerWaalsContact O-CG 3.26Å; P51-L55 WeakPolarHBondContact O-CG 3.37Å; P51-L55 PolarHBondContact O-N 2.92Å; P51-L133 HydrophobicContact CB-CD2 3.78Å; P51-L133 HydrophobicContact CG-CD2 4.47Å
52A95.9Very high93.6Very high0 Ų017.1 Ų17.10%010%0.097CC..Hα-helixtrans-55.9-25.1178.800000114.4Y48 Q49 L50 T59 L109Y48-A52 WeakPolarHBondContact O-CB 3.42Å; Y48-A52 PolarHBondContact O-N 3.32Å; Y48-A52 VanDerWaalsContact O-N 3.16Å; Q49-A52 WeakPolarHBondContact O-CB 3.48Å; L50-A52 PolarHBondContact O-N 3.43Å; A52-T59 WeakPolarHBondContact CA-OG1 3.4Å; A52-T59 HydrophobicContact CB-CG2 4.34Å; A52-T59 WeakPolarHBondContact CB-OG1 3.39Å; A52-L109 HydrophobicContact CB-CD1 3.67Å; A52-L109 HydrophobicContact CB-CD2 4.08Å; A52-L109 HydrophobicContact CB-CG 3.72Å
53L94.1Very high93.9Very high29 Ų2916.6 Ų16.615%0.1529%0.091CC..Hα-helixtrans-83.5-18.2179.7-58.3-178.1000113.9L7 K11 L50 P51 I81L7-L53 HydrophobicContact CB-CD1 4.46Å; L7-L53 HydrophobicContact CD1-CB 3.91Å; L7-L53 HydrophobicContact CD1-CD1 4.42Å; L7-L53 HydrophobicContact CD2-CD1 4.35Å; K11-L53 HydrophobicContact CG-CD1 4.12Å; L50-L53 HydrophobicContact CD2-CD1 4.4Å; L50-L53 WeakPolarHBondContact O-CB 3.49Å; L50-L53 PolarHBondContact O-N 3.28Å; L50-L53 VanDerWaalsContact O-N 3.1Å; P51-L53 PolarHBondContact O-N 3.48Å; L53-I81 HydrophobicContact CD1-CD1 3.88Å; L53-I81 HydrophobicContact CD1-CG1 4.4Å; L53-I81 HydrophobicContact CD2-CB 4.31Å; L53-I81 HydrophobicContact CD2-CD1 3.93Å; L53-I81 HydrophobicContact CD2-CG1 3.79Å; L53-I81 HydrophobicContact CD2-CG2 3.65Å; L53-I81 HydrophobicContact CG-CD1 4.4Å
54V93.8Very high93.5Very high35 Ų3516.6 Ų16.621%0.2129%0.088CC..Hα-helixtrans-109.6-23.3-179.6-60.90000113.2R3 I4 L7 L29 P51R3-V54 HydrophobicContact CG-CG1 4.29Å; I4-V54 HydrophobicContact CD1-CB 4.21Å; I4-V54 HydrophobicContact CD1-CG1 3.45Å; I4-V54 VanDerWaalsContact CD1-CG1 3.45Å; I4-V54 HydrophobicContact CD1-CG2 3.66Å; I4-V54 HydrophobicContact CG1-CG1 4.14Å; I4-V54 HydrophobicContact CG1-CG2 4.46Å; L7-V54 HydrophobicContact CD1-CG1 3.63Å; L29-V54 HydrophobicContact CD2-CG2 3.49Å; L29-V54 VanDerWaalsContact CD2-CG2 3.49Å; P51-V54 VanDerWaalsContact O-CG2 3.27Å; P51-V54 WeakPolarHBondContact O-CG2 3.35Å; P51-V54 PolarHBondContact O-N 3.48Å
55L93.4Very high92.6Very high15 Ų1517 Ų178%0.0799%0.091CC..SBendtrans-72146171.9-60.8174.7000109.8L29 P51 K108 E132 L133L29-L55 HydrophobicContact CD2-CD2 4.26Å; P51-L55 HydrophobicContact CB-CD1 4.15Å; P51-L55 VanDerWaalsContact O-CG 3.26Å; P51-L55 WeakPolarHBondContact O-CG 3.37Å; P51-L55 PolarHBondContact O-N 2.92Å; L55-K108 PolarHBondContact O-NZ 3.49Å; L55-E132 HydrophobicContact CB-CB 4.35Å; L55-E132 HydrophobicContact CD1-CB 4.25Å; L55-E132 WeakPolarHBondContact CD2-OE2 3.07Å; L55-L133 HydrophobicContact CD1-CB 3.76Å; L55-L133 HydrophobicContact CD1-CD2 4.17Å
56E91.1Very high91.7Very high174 Ų17419.1 Ų19.181%0.81310%0.099SC*.SBendtrans-76.3-46.7-175.9-62-173.3167.500110.2K108 E132E56-K108 PolarHBondContact O-NZ 2.86Å; E56-E132 WeakPolarHBondContact CA-OE1 3.42Å; E56-E132 WeakPolarHBondContact CB-OE1 3.26Å; E56-E132 PolarHBondContact N-OE1 3.3Å
57G93.8Very high90.6Very high8 Ų820.7 Ų20.78%0.08211%0.111CC..SBendtrans-76.6-174.7176.500000115.3P130 E132G57-P130 CarbonylContact C-O 3.41Å; G57-P130 WeakPolarHBondContact CA-O 3.36Å; G57-E132 PolarHBondContact N-OE1 3.27Å
58L97.1Very high89.7Confident3 Ų321.9 Ų21.92%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-77.5142.1-177-176.474.4000111.4A102 I107 L110 V129 P130 I131 E132L58-A102 HydrophobicContact CD1-CB 4.33Å; L58-A102 HydrophobicContact CD2-CB 4.21Å; L58-I107 HydrophobicContact CD1-CB 4.48Å; L58-I107 HydrophobicContact CD1-CG2 4.05Å; L58-I107 VanDerWaalsContact CD1-O 3.27Å; L58-I107 WeakPolarHBondContact CD1-O 3.06Å; L58-L110 HydrophobicContact CD1-CB 3.97Å; L58-L110 HydrophobicContact CD2-CB 3.8Å; L58-L110 HydrophobicContact CD2-CD2 4.04Å; L58-L110 HydrophobicContact CG-CB 4.29Å; L58-V129 HydrophobicContact CB-CG1 4.12Å; L58-V129 HydrophobicContact CD2-CG1 3.49Å; L58-V129 VanDerWaalsContact CD2-CG1 3.49Å; L58-V129 HydrophobicContact CG-CG1 4.39Å; L58-P130 WeakPolarHBondContact CB-O 3.32Å; L58-P130 PolarHBondContact N-O 3.35Å; L58-I131 HydrophobicContact CD2-CG1 4.34Å; L58-E132 PolarHBondContact O-N 3.09Å
59T98Very high89.2Confident0 Ų021.9 Ų21.90%012%0.118CC..EExtended strand (participates in β ladder)trans-94.9116.2159.2-61.60000110.2A52 V61 K108 L109 L110 L133A52-T59 WeakPolarHBondContact CA-OG1 3.4Å; A52-T59 HydrophobicContact CB-CG2 4.34Å; A52-T59 WeakPolarHBondContact CB-OG1 3.39Å; T59-V61 HydrophobicContact CG2-CG2 4.02Å; T59-K108 PolarHBondContact N-O 3.48Å; T59-L109 HydrophobicContact CG2-CD2 4.39Å; T59-L109 WeakPolarHBondContact O-CA 3.41Å; T59-L110 PolarHBondContact O-N 3.11Å; T59-L133 CarbonylContact C-O 3.59Å; T59-L133 WeakPolarHBondContact CA-O 3.39Å; T59-L133 HydrophobicContact CG2-CB 4.12Å; T59-L133 HydrophobicContact CG2-CD2 3.82Å; T59-L133 HydrophobicContact CG2-CG 3.96Å
60L96.8Very high88.5Confident0 Ų026.2 Ų26.20%014%0.136CC..EExtended strand (participates in β ladder)trans-92.5116175.8-173.771.2000109.1L110 V112 L117 L126 I131 L133 L134 A135 F163L60-L110 HydrophobicContact CD1-CB 4.22Å; L60-L110 HydrophobicContact CD1-CD2 4.1Å; L60-L110 HydrophobicContact CD1-CG 4.27Å; L60-V112 HydrophobicContact CD1-CB 4.38Å; L60-V112 HydrophobicContact CD1-CG2 3.55Å; L60-L117 HydrophobicContact CD2-CD2 4.34Å; L60-L126 HydrophobicContact CD2-CD1 4.2Å; L60-I131 HydrophobicContact CB-CG2 3.99Å; L60-I131 HydrophobicContact CD2-CD1 4.22Å; L60-L133 PolarHBondContact N-O 3.34Å; L60-L134 HydrophobicContact CD2-CD1 4.41Å; L60-L134 CarbonylContact O-C 3.55Å; L60-L134 WeakPolarHBondContact O-CA 3.29Å; L60-A135 PolarHBondContact O-N 2.84Å; L60-F163 HydrophobicContact CD2-CZ 4.24Å
61V96.1Very high87.8Confident0 Ų028.2 Ų28.20%015%0.147CC..EExtended strand (participates in β ladder)trans-106114.9-178-171.30000109.9Y48 T59 L109 L110 Y111 V112 A135Y48-V61 HydrophobicContact CD2-CG2 3.75Å; Y48-V61 HydrophobicContact CE1-CG1 4.3Å; Y48-V61 HydrophobicContact CE2-CG1 3.97Å; Y48-V61 HydrophobicContact CE2-CG2 3.74Å; T59-V61 HydrophobicContact CG2-CG2 4.02Å; V61-L109 HydrophobicContact CG2-CD2 4.08Å; V61-L110 PolarHBondContact N-O 3.44Å; V61-Y111 HydrophobicContact CB-CD1 3.69Å; V61-Y111 HydrophobicContact CB-CE1 3.82Å; V61-Y111 HydrophobicContact CB-CG 4.08Å; V61-Y111 HydrophobicContact CG1-CD1 3.66Å; V61-Y111 HydrophobicContact CG1-CE1 3.54Å; V61-Y111 HydrophobicContact CG2-CD1 4.4Å; V61-Y111 HydrophobicContact CG2-CE1 4.16Å; V61-Y111 HydrophobicContact CG2-CE2 4.42Å; V61-Y111 CarbonylContact O-C 3.52Å; V61-Y111 VanDerWaalsContact O-CA 3.24Å; V61-Y111 WeakPolarHBondContact O-CA 3.41Å; V61-V112 PolarHBondContact O-N 3.31Å; V61-A135 CarbonylContact C-O 3.58Å; V61-A135 WeakPolarHBondContact CA-O 3.41Å; V61-A135 HydrophobicContact CB-CB 4.47Å; V61-A135 HydrophobicContact CG1-CB 4.24Å; V61-A135 HydrophobicContact CG2-CB 4.23Å
62I93Very high87.4Confident0 Ų029.3 Ų29.30%015%0.152CC..EExtended strand (participates in β ladder)trans-90119.9174.6-60.2144.4000108V112 P114 L117 L134 A135 V136 D137 Y153 L156 I160I62-V112 WeakPolarHBondContact CA-O 3.47Å; I62-P114 HydrophobicContact CG2-CB 4.16Å; I62-L117 HydrophobicContact CD1-CD1 3.74Å; I62-L117 HydrophobicContact CG1-CD1 3.57Å; I62-L134 HydrophobicContact CD1-CD1 4.15Å; I62-L134 HydrophobicContact CD1-CD2 3.49Å; I62-L134 VanDerWaalsContact CD1-CD2 3.49Å; I62-L134 HydrophobicContact CD1-CG 3.82Å; I62-A135 PolarHBondContact N-O 2.8Å; I62-V136 HydrophobicContact CD1-CG2 4.14Å; I62-D137 PolarHBondContact O-N 3.41Å; I62-Y153 HydrophobicContact CG2-CE1 4.46Å; I62-L156 HydrophobicContact CD1-CD1 3.69Å; I62-L156 HydrophobicContact CD1-CD2 4.17Å; I62-L156 HydrophobicContact CD1-CG 4.38Å; I62-L156 HydrophobicContact CG1-CD1 4.32Å; I62-L156 HydrophobicContact CG2-CD1 4.32Å; I62-L156 HydrophobicContact CG2-CD2 3.81Å; I62-I160 HydrophobicContact CD1-CD1 4.42Å
63S88.6Confident87.2Confident1 Ų129.6 Ų29.61%0.00715%0.154CC..  trans-135.7143.5-179.7-175.50000108.9L65 M69 V112 P114S63-L65 VanDerWaalsContact C-N 3.27Å; S63-L65 PolarHBondContact O-N 3.01Å; S63-M69 WeakPolarHBondContact O-CE 3.46Å; S63-V112 PolarHBondContact N-O 3.16Å; S63-V112 VanDerWaalsContact N-O 3.14Å; S63-P114 WeakPolarHBondContact O-CD 3.19Å
64P74.9Confident87Confident20 Ų2031.7 Ų31.713%0.1317%0.165CC..SBendtrans-76.1-17.5-176.421.7-22.1000112.9E138 Y153P64-E138 HydrophobicContact CG-CB 4.31Å; P64-Y153 WeakPolarHBondContact CA-OH 3.43Å; P64-Y153 HydrophobicContact CB-CE2 4.07Å; P64-Y153 VanDerWaalsContact CB-OH 3.26Å; P64-Y153 WeakPolarHBondContact CB-OH 3.21Å; P64-Y153 WeakPolarHBondContact CD-OH 3.35Å; P64-Y153 WeakPolarHBondContact CG-OH 3.43Å; P64-Y153 VanDerWaalsContact N-OH 3.15Å
65L72.6Confident86.6Confident29 Ų2933.2 Ų33.215%0.15218%0.178CC..  trans-123.4114-157.5-70163.1000112.8S63 S67 L68 M69 M289S63-L65 VanDerWaalsContact C-N 3.27Å; S63-L65 PolarHBondContact O-N 3.01Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.26Å; L65-L68 HydrophobicContact CB-CB 3.87Å; L65-L68 WeakPolarHBondContact O-CB 3.28Å; L65-L68 PolarHBondContact O-N 3.48Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L65-M69 WeakPolarHBondContact O-CG 3.24Å; L65-M69 PolarHBondContact O-N 3.07Å; L65-M289 HydrophobicContact CD1-CB 3.5Å; L65-M289 HydrophobicContact CD1-CE 3.93Å; L65-M289 HydrophobicContact CD1-CG 3.88Å; L65-M289 WeakPolarHBondContact CD1-O 3.34Å; L65-M289 HydrophobicContact CD1-SD 4.35Å; L65-M289 HydrophobicContact CD2-CB 3.77Å; L65-M289 HydrophobicContact CD2-CE 3.79Å; L65-M289 HydrophobicContact CD2-CG 4.19Å; L65-M289 HydrophobicContact CD2-SD 3.74Å; L65-M289 HydrophobicContact CG-CB 4.23Å; L65-M289 HydrophobicContact CG-CE 4.22Å
66I73.1Confident86.6Confident66 Ų6632.6 Ų32.634%0.33817%0.174SC..Hα-helixtrans-56-43.8179.9-66.8178000112.4M69 K70 N87 T89I66-M69 PolarHBondContact O-N 3.32Å; I66-K70 PolarHBondContact O-N 3.36Å; I66-K70 VanDerWaalsContact O-N 3.12Å; I66-N87 HydrophobicContact CD1-CB 3.94Å; I66-N87 HydrophobicContact CG1-CB 3.79Å; I66-N87 WeakPolarHBondContact CG2-ND2 3.07Å; I66-T89 HydrophobicContact CD1-CG2 4.47Å
67S69.9Low86.7Confident44 Ų4427.9 Ų27.931%0.30815%0.154SC..Hα-helixtrans-61.9-44.2178.446.70000111.6L65 M69 K70 D71 G290L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.26Å; S67-M69 PolarHBondContact O-N 3.37Å; S67-K70 PolarHBondContact O-N 3.45Å; S67-D71 PolarHBondContact O-N 3.37Å; S67-D71 VanDerWaalsContact O-N 3.1Å; S67-G290 WeakPolarHBondContact OG-CA 3.4Å
68L77.5Confident86.5Confident26 Ų2635.6 Ų35.614%0.13619%0.189CC..Hα-helixtrans-64.4-39.5177.6-174.362.7000111.8L65 K70 D71 Q72L65-L68 HydrophobicContact CB-CB 3.87Å; L65-L68 WeakPolarHBondContact O-CB 3.28Å; L65-L68 PolarHBondContact O-N 3.48Å; L65-L68 VanDerWaalsContact O-N 3.14Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-K70 PolarHBondContact O-N 2.91Å; L68-D71 PolarHBondContact O-N 2.95Å; L68-Q72 HydrophobicContact CD1-CG 4.39Å; L68-Q72 HydrophobicContact CG-CG 4.44Å; L68-Q72 WeakPolarHBondContact O-CB 3.36Å; L68-Q72 WeakPolarHBondContact O-CG 3.15Å; L68-Q72 PolarHBondContact O-N 3.38Å
69M85.1Confident86.2Confident0 Ų037.9 Ų37.90%020%0.203CC..Hα-helixtrans-60-44.9175.4-63.5174.3-168.100111.9S63 L65 I66 S67 Q72 V73 F85 Y111 A113S63-M69 WeakPolarHBondContact O-CE 3.46Å; L65-M69 WeakPolarHBondContact O-CG 3.24Å; L65-M69 PolarHBondContact O-N 3.07Å; I66-M69 PolarHBondContact O-N 3.32Å; S67-M69 PolarHBondContact O-N 3.37Å; M69-Q72 PolarHBondContact O-N 2.85Å; M69-V73 WeakPolarHBondContact O-CB 3.46Å; M69-V73 VanDerWaalsContact O-CG2 3.26Å; M69-V73 WeakPolarHBondContact O-CG2 3.43Å; M69-V73 PolarHBondContact O-N 2.99Å; M69-F85 HydrophobicContact CB-CB 3.99Å; M69-F85 HydrophobicContact SD-CB 4.35Å; M69-Y111 HydrophobicContact CG-CD1 4.34Å; M69-Y111 HydrophobicContact CG-CG 4.49Å; M69-A113 HydrophobicContact CE-CB 3.97Å
70K82.1Confident85.8Confident100 Ų10040.3 Ų40.344%0.43523%0.228SC..Hα-helixtrans-62.6-49.8179.8-179.3179.2179-62.20110.7I66 S67 L68 Q72 V73 D74 F85I66-K70 PolarHBondContact O-N 3.36Å; I66-K70 VanDerWaalsContact O-N 3.12Å; S67-K70 PolarHBondContact O-N 3.45Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-K70 PolarHBondContact O-N 2.91Å; K70-Q72 VanDerWaalsContact C-N 3.28Å; K70-Q72 PolarHBondContact O-N 2.97Å; K70-V73 PolarHBondContact O-N 2.95Å; K70-D74 WeakPolarHBondContact CG-OD2 3.37Å; K70-D74 IonicContact NZ-OD2 2.83Å; K70-D74 PolarHBondContact NZ-OD2 3.47Å; K70-D74 WeakPolarHBondContact O-CB 3.42Å; K70-D74 VanDerWaalsContact O-CG 3.26Å; K70-D74 PolarHBondContact O-N 2.77Å; K70-F85 HydrophobicContact CB-CE1 4.32Å; K70-F85 HydrophobicContact CG-CE1 4.42Å
71D81.5Confident85.7Confident42 Ų4240.4 Ų40.423%0.22523%0.228CC..Hα-helixtrans-58.9-40.4179.3-74.26.9000111.8S67 L68 S75 G290S67-D71 PolarHBondContact O-N 3.37Å; S67-D71 VanDerWaalsContact O-N 3.1Å; L68-D71 PolarHBondContact O-N 2.95Å; D71-S75 VanDerWaalsContact O-CB 3.24Å; D71-S75 WeakPolarHBondContact O-CB 3.43Å; D71-S75 PolarHBondContact O-N 3.09Å; D71-S75 VanDerWaalsContact O-N 3.07Å; D71-G290 VanDerWaalsContact OD2-O 3.07Å
72Q88.1Confident85.7Confident23 Ų2343.2 Ų43.211%0.10725%0.246CC..Hα-helixtrans-67.5-44176.7-69.4-75-2.900112.2S45 L68 M69 K70 L76 Y111S45-Q72 PolarHBondContact OG-NE2 2.94Å; L68-Q72 HydrophobicContact CD1-CG 4.39Å; L68-Q72 HydrophobicContact CG-CG 4.44Å; L68-Q72 WeakPolarHBondContact O-CB 3.36Å; L68-Q72 WeakPolarHBondContact O-CG 3.15Å; L68-Q72 PolarHBondContact O-N 3.38Å; M69-Q72 PolarHBondContact O-N 2.85Å; K70-Q72 VanDerWaalsContact C-N 3.28Å; K70-Q72 PolarHBondContact O-N 2.97Å; Q72-L76 WeakPolarHBondContact O-CB 3.49Å; Q72-L76 WeakPolarHBondContact O-CD1 3.35Å; Q72-L76 WeakPolarHBondContact O-CG 3.29Å; Q72-L76 PolarHBondContact O-N 3.37Å; Q72-Y111 HydrophobicContact CB-CE1 3.88Å; Q72-Y111 HydrophobicContact CB-CE2 4.28Å; Q72-Y111 HydrophobicContact CG-CE1 4.19Å
73V91.8Very high85.9Confident6 Ų643.6 Ų43.64%0.03625%0.249CC..Hα-helixtrans-65.8-44.3179.1165.50000111.4M69 K70 L76 N77 A83 F85 Y111M69-V73 WeakPolarHBondContact O-CB 3.46Å; M69-V73 VanDerWaalsContact O-CG2 3.26Å; M69-V73 WeakPolarHBondContact O-CG2 3.43Å; M69-V73 PolarHBondContact O-N 2.99Å; K70-V73 PolarHBondContact O-N 2.95Å; V73-L76 PolarHBondContact O-N 2.82Å; V73-N77 WeakPolarHBondContact CG1-ND2 3.33Å; V73-N77 WeakPolarHBondContact O-CB 3.44Å; V73-N77 PolarHBondContact O-N 2.97Å; V73-N77 PolarHBondContact O-ND2 3.42Å; V73-N77 VanDerWaalsContact O-ND2 3.12Å; V73-A83 HydrophobicContact CG1-CB 4.37Å; V73-A83 WeakPolarHBondContact CG1-O 3.38Å; V73-A83 HydrophobicContact CG2-CB 4.18Å; V73-F85 HydrophobicContact CB-CD1 4.19Å; V73-F85 HydrophobicContact CG1-CD1 4.26Å; V73-F85 HydrophobicContact CG2-CB 4.2Å; V73-F85 HydrophobicContact CG2-CD1 4.06Å; V73-Y111 HydrophobicContact CG2-CD2 3.58Å; V73-Y111 HydrophobicContact CG2-CE2 4.07Å; V73-Y111 HydrophobicContact CG2-CG 4.3Å
74D88Confident86.2Confident74 Ų7444 Ų4440%0.39625%0.253SS..Hα-helixtrans-61.5-47.2178-68.5-13000109.9K70 L76 N77 E78K70-D74 WeakPolarHBondContact CG-OD2 3.37Å; K70-D74 IonicContact NZ-OD2 2.83Å; K70-D74 PolarHBondContact NZ-OD2 3.47Å; K70-D74 WeakPolarHBondContact O-CB 3.42Å; K70-D74 VanDerWaalsContact O-CG 3.26Å; K70-D74 PolarHBondContact O-N 2.77Å; D74-L76 PolarHBondContact O-N 3.03Å; D74-N77 PolarHBondContact O-N 3.21Å; D74-E78 PolarHBondContact O-N 2.83Å
75S86.6Confident87.2Confident67 Ų6744.5 Ų44.547%0.46925%0.253SS..Hα-helixtrans-59.6-43.7176.4-177.60000113.2D71 E78 V79D71-S75 VanDerWaalsContact O-CB 3.24Å; D71-S75 WeakPolarHBondContact O-CB 3.43Å; D71-S75 PolarHBondContact O-N 3.09Å; D71-S75 VanDerWaalsContact O-N 3.07Å; S75-E78 PolarHBondContact O-N 2.97Å; S75-V79 PolarHBondContact O-N 3.44Å
76L93.3Very high88.1Confident2 Ų243.1 Ų43.11%0.0125%0.246CC..Hα-helixtrans-65.9-44.2178.3-75.8168.3000112.1Q49 Q72 V73 D74 E78 V79 G80 I81 A83 L109 Y111Q49-L76 HydrophobicContact CG-CD1 4.46Å; Q49-L76 HydrophobicContact CG-CD2 4.03Å; Q72-L76 WeakPolarHBondContact O-CB 3.49Å; Q72-L76 WeakPolarHBondContact O-CD1 3.35Å; Q72-L76 WeakPolarHBondContact O-CG 3.29Å; Q72-L76 PolarHBondContact O-N 3.37Å; V73-L76 PolarHBondContact O-N 2.82Å; D74-L76 PolarHBondContact O-N 3.03Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 PolarHBondContact O-N 2.76Å; L76-V79 WeakPolarHBondContact O-CG2 3.32Å; L76-V79 PolarHBondContact O-N 3.01Å; L76-G80 PolarHBondContact O-N 3.35Å; L76-I81 CarbonylContact C-O 3.5Å; L76-I81 VanDerWaalsContact C-O 3.27Å; L76-I81 HydrophobicContact CB-CB 4.22Å; L76-I81 HydrophobicContact CB-CG2 4.48Å; L76-I81 HydrophobicContact CD2-CB 4.1Å; L76-I81 HydrophobicContact CD2-CD1 3.82Å; L76-I81 HydrophobicContact CD2-CG2 4.06Å; L76-I81 WeakPolarHBondContact O-CA 3.33Å; L76-I81 WeakPolarHBondContact O-CB 3.3Å; L76-I81 PolarHBondContact O-N 3.06Å; L76-A83 HydrophobicContact CB-CB 3.76Å; L76-A83 HydrophobicContact CD1-CB 3.72Å; L76-A83 HydrophobicContact CG-CB 4.42Å; L76-L109 HydrophobicContact CD1-CB 4.4Å; L76-L109 HydrophobicContact CD1-CD1 4.24Å; L76-L109 HydrophobicContact CD1-CD2 4.24Å; L76-Y111 HydrophobicContact CD1-CE2 3.77Å
77N93.3Very high88.6Confident74 Ų7440 Ų4040%0.39623%0.23SC..Hα-helixtrans-64.2-36.5178.8-74.8-37.8000111.6V73 D74 V79 G80 I81 A83V73-N77 WeakPolarHBondContact CG1-ND2 3.33Å; V73-N77 WeakPolarHBondContact O-CB 3.44Å; V73-N77 PolarHBondContact O-N 2.97Å; V73-N77 PolarHBondContact O-ND2 3.42Å; V73-N77 VanDerWaalsContact O-ND2 3.12Å; D74-N77 PolarHBondContact O-N 3.21Å; N77-V79 VanDerWaalsContact C-N 3.33Å; N77-V79 PolarHBondContact O-N 3.32Å; N77-G80 WeakPolarHBondContact O-CA 3.49Å; N77-G80 PolarHBondContact O-N 3.02Å; N77-I81 PolarHBondContact N-O 2.84Å; N77-I81 PolarHBondContact OD1-O 3.1Å; N77-A83 PolarHBondContact ND2-O 3.48Å; N77-A83 VanDerWaalsContact ND2-O 3.15Å; N77-A83 PolarHBondContact OD1-N 3.18Å; N77-A83 PolarHBondContact OD1-O 2.92Å
78E89.9Confident89.1Confident171 Ų17142.3 Ų42.380%0.79925%0.246SC*.Hα-helixtrans-61.8-38.3176.4-168.267-169.500112.4D74 S75 L76 G80D74-E78 PolarHBondContact O-N 2.83Å; S75-E78 PolarHBondContact O-N 2.97Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 PolarHBondContact O-N 2.76Å; E78-G80 PolarHBondContact O-N 3.06Å
79V89.2Confident89.1Confident51 Ų5145.9 Ų45.931%0.30927%0.269SS..THydrogen-bonded Turntrans-8410.4174.4-58.50000113.4S75 L76 N77 I81S75-V79 PolarHBondContact O-N 3.44Å; L76-V79 WeakPolarHBondContact O-CG2 3.32Å; L76-V79 PolarHBondContact O-N 3.01Å; N77-V79 VanDerWaalsContact C-N 3.33Å; N77-V79 PolarHBondContact O-N 3.32Å; V79-I81 HydrophobicContact CG2-CB 4.46Å; V79-I81 HydrophobicContact CG2-CD1 3.74Å; V79-I81 HydrophobicContact CG2-CG1 3.97Å
80G91.6Very high89.1Confident51 Ų5146.8 Ų46.853%0.52627%0.274SS..THydrogen-bonded Turntrans73.826.8176.500000114.2L76 N77 E78L76-G80 PolarHBondContact O-N 3.35Å; N77-G80 WeakPolarHBondContact O-CA 3.49Å; N77-G80 PolarHBondContact O-N 3.02Å; E78-G80 PolarHBondContact O-N 3.06Å
81I94.4Very high89.4Confident2 Ų244.6 Ų44.61%0.0127%0.271CS..  trans-101.9109.8173.2-60.4170.7000108.1K11 F12 L53 L76 N77 V79 A83 L109K11-I81 HydrophobicContact CB-CD1 4.3Å; K11-I81 HydrophobicContact CG-CD1 4.45Å; F12-I81 HydrophobicContact CE1-CD1 4.48Å; F12-I81 HydrophobicContact CE2-CD1 4.27Å; F12-I81 HydrophobicContact CZ-CD1 3.78Å; L53-I81 HydrophobicContact CD1-CD1 3.88Å; L53-I81 HydrophobicContact CD1-CG1 4.4Å; L53-I81 HydrophobicContact CD2-CB 4.31Å; L53-I81 HydrophobicContact CD2-CD1 3.93Å; L53-I81 HydrophobicContact CD2-CG1 3.79Å; L53-I81 HydrophobicContact CD2-CG2 3.65Å; L53-I81 HydrophobicContact CG-CD1 4.4Å; L76-I81 CarbonylContact C-O 3.5Å; L76-I81 VanDerWaalsContact C-O 3.27Å; L76-I81 HydrophobicContact CB-CB 4.22Å; L76-I81 HydrophobicContact CB-CG2 4.48Å; L76-I81 HydrophobicContact CD2-CB 4.1Å; L76-I81 HydrophobicContact CD2-CD1 3.82Å; L76-I81 HydrophobicContact CD2-CG2 4.06Å; L76-I81 WeakPolarHBondContact O-CA 3.33Å; L76-I81 WeakPolarHBondContact O-CB 3.3Å; L76-I81 PolarHBondContact O-N 3.06Å; N77-I81 PolarHBondContact N-O 2.84Å; N77-I81 PolarHBondContact OD1-O 3.1Å; V79-I81 HydrophobicContact CG2-CB 4.46Å; V79-I81 HydrophobicContact CG2-CD1 3.74Å; V79-I81 HydrophobicContact CG2-CG1 3.97Å; I81-A83 PolarHBondContact O-N 2.84Å; I81-L109 HydrophobicContact CG2-CD1 3.56Å
82P95.5Very high89.7Confident59 Ų5947.9 Ų47.938%0.38329%0.288SS..  trans-63111.1-177.8-23.234.2000111.7E106 K108 L109P82-E106 WeakPolarHBondContact CB-O 3.07Å; P82-K108 PolarHBondContact O-N 2.97Å; P82-L109 PolarHBondContact O-N 3.25Å
83A97Very high89.8Confident8 Ų853.7 Ų53.77%0.06632%0.32CS..EExtended strand (participates in β ladder)trans-132149.8-179.500000111.4V73 L76 N77 I81 L109V73-A83 HydrophobicContact CG1-CB 4.37Å; V73-A83 WeakPolarHBondContact CG1-O 3.38Å; V73-A83 HydrophobicContact CG2-CB 4.18Å; L76-A83 HydrophobicContact CB-CB 3.76Å; L76-A83 HydrophobicContact CD1-CB 3.72Å; L76-A83 HydrophobicContact CG-CB 4.42Å; N77-A83 PolarHBondContact ND2-O 3.48Å; N77-A83 VanDerWaalsContact ND2-O 3.15Å; N77-A83 PolarHBondContact OD1-N 3.18Å; N77-A83 PolarHBondContact OD1-O 2.92Å; I81-A83 PolarHBondContact O-N 2.84Å; A83-L109 VanDerWaalsContact CA-O 3.29Å; A83-L109 WeakPolarHBondContact CA-O 3.49Å; A83-L109 HydrophobicContact CB-CB 4.16Å
84A96Very high89.8Confident10 Ų1057.3 Ų57.38%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-143.3166.8174.200000110.7R98 I107 L109 L110 Y111A84-R98 HydrophobicContact CB-CG 4.49Å; A84-I107 HydrophobicContact CB-CD1 3.77Å; A84-I107 HydrophobicContact CB-CG1 4.43Å; A84-I107 HydrophobicContact CB-CG2 4.33Å; A84-L109 PolarHBondContact N-O 3.29Å; A84-L110 HydrophobicContact CB-CD1 4.02Å; A84-L110 CarbonylContact O-C 3.31Å; A84-L110 WeakPolarHBondContact O-CA 3.39Å; A84-Y111 PolarHBondContact O-N 3.12Å
85F94.4Very high90Very high29 Ų2954.6 Ų54.613%0.12732%0.321CS..EExtended strand (participates in β ladder)trans-123.3159.8171.861.4-100.5000111.7M69 K70 V73 N87 L90 R98 Y111M69-F85 HydrophobicContact CB-CB 3.99Å; M69-F85 HydrophobicContact SD-CB 4.35Å; K70-F85 HydrophobicContact CB-CE1 4.32Å; K70-F85 HydrophobicContact CG-CE1 4.42Å; V73-F85 HydrophobicContact CB-CD1 4.19Å; V73-F85 HydrophobicContact CG1-CD1 4.26Å; V73-F85 HydrophobicContact CG2-CB 4.2Å; V73-F85 HydrophobicContact CG2-CD1 4.06Å; F85-N87 VanDerWaalsContact CD2-ND2 3.28Å; F85-N87 WeakPolarHBondContact CD2-ND2 3.22Å; F85-N87 VanDerWaalsContact CE2-ND2 3.29Å; F85-N87 WeakPolarHBondContact CE2-ND2 3.13Å; F85-L90 HydrophobicContact CD2-CD1 4.4Å; F85-L90 HydrophobicContact CE2-CD1 4.39Å; F85-L90 HydrophobicContact CE2-CD2 4.19Å; F85-L90 HydrophobicContact CE2-CG 4.36Å; F85-L90 WeakPolarHBondContact O-CD1 3.36Å; F85-R98 VanDerWaalsContact CD2-NH1 3.31Å; F85-R98 VanDerWaalsContact CE2-NH1 3.3Å; F85-R98 WeakPolarHBondContact O-CD 3.49Å; F85-R98 PolarHBondContact O-NH1 2.93Å; F85-Y111 CarbonylContact C-O 3.55Å; F85-Y111 VanDerWaalsContact C-O 3.31Å; F85-Y111 WeakPolarHBondContact CA-O 3.41Å
86I91.3Very high90.2Very high0 Ų053.8 Ų53.80%031%0.312CS..EExtended strand (participates in β ladder)trans-134118.4168.1-63.7174.7000108.1L90 M95 R98 V99 L110 Y111 V112 A113 R116 F122I86-L90 HydrophobicContact CG1-CD1 4.45Å; I86-M95 HydrophobicContact CD1-CG 4.16Å; I86-M95 HydrophobicContact CG2-CG 3.8Å; I86-M95 HydrophobicContact CG2-SD 4.29Å; I86-R98 HydrophobicContact CD1-CB 4.32Å; I86-R98 HydrophobicContact CG1-CB 4.35Å; I86-V99 HydrophobicContact CD1-CG2 3.81Å; I86-L110 HydrophobicContact CD1-CD1 4.02Å; I86-L110 HydrophobicContact CD1-CD2 4.01Å; I86-L110 HydrophobicContact CD1-CG 4.4Å; I86-L110 HydrophobicContact CG1-CD1 3.99Å; I86-Y111 PolarHBondContact N-O 3.47Å; I86-V112 HydrophobicContact CB-CG2 4.36Å; I86-A113 PolarHBondContact O-N 3.02Å; I86-R116 HydrophobicContact CG2-CG 4.03Å; I86-F122 HydrophobicContact CD1-CE2 3.73Å; I86-F122 HydrophobicContact CD1-CZ 4.12Å; I86-F122 HydrophobicContact CG2-CE2 4.3Å
87N84.8Confident90.3Very high2 Ų258.3 Ų58.31%0.01133%0.333CS..  trans-140.1-164.4-17962.724.1000110.6I66 F85 T89 R116I66-N87 HydrophobicContact CD1-CB 3.94Å; I66-N87 HydrophobicContact CG1-CB 3.79Å; I66-N87 WeakPolarHBondContact CG2-ND2 3.07Å; F85-N87 VanDerWaalsContact CD2-ND2 3.28Å; F85-N87 WeakPolarHBondContact CD2-ND2 3.22Å; F85-N87 VanDerWaalsContact CE2-ND2 3.29Å; F85-N87 WeakPolarHBondContact CE2-ND2 3.13Å; N87-T89 PolarHBondContact OD1-N 2.78Å; N87-T89 PolarHBondContact OD1-OG1 2.83Å; N87-R116 PolarHBondContact O-NH2 3.33Å
88S78.9Confident90.4Very high92 Ų9257.4 Ų57.464%0.64332%0.324SS*.THydrogen-bonded Turntrans-78.2-14.3-179.152.70000114.5
89T79.3Confident90.6Very high100 Ų10049.7 Ų49.761%0.61329%0.288SS*.THydrogen-bonded Turntrans-85.2-10.6-176.768.60000113.4I66 N87I66-T89 HydrophobicContact CD1-CG2 4.47Å; N87-T89 PolarHBondContact OD1-N 2.78Å; N87-T89 PolarHBondContact OD1-OG1 2.83Å
90L84.9Confident90.8Very high20 Ų2055.3 Ų55.311%0.10530%0.304CS..SBendtrans-87142.8179.6-61178.8000111.7F85 I86 E94F85-L90 HydrophobicContact CD2-CD1 4.4Å; F85-L90 HydrophobicContact CE2-CD1 4.39Å; F85-L90 HydrophobicContact CE2-CD2 4.19Å; F85-L90 HydrophobicContact CE2-CG 4.36Å; F85-L90 WeakPolarHBondContact O-CD1 3.36Å; I86-L90 HydrophobicContact CG1-CD1 4.45Å; L90-E94 HydrophobicContact CB-CB 4.35Å; L90-E94 HydrophobicContact CD2-CB 4.38Å
91S87.6Confident91Very high53 Ų5356.2 Ų56.237%0.37129%0.293SS..  trans-67.6158.316667.20000111.4L93 E94 M95S91-L93 PolarHBondContact O-N 2.81Å; S91-E94 WeakPolarHBondContact CB-OE2 3.2Å; S91-E94 PolarHBondContact N-OE2 2.81Å; S91-E94 PolarHBondContact O-N 2.79Å; S91-E94 WeakPolarHBondContact OG-CG 3.47Å; S91-E94 PolarHBondContact OG-N 3.04Å; S91-E94 PolarHBondContact OG-OE2 3.12Å; S91-M95 PolarHBondContact O-N 2.76Å
92N86.9Confident91.1Very high111 Ų11156.1 Ų56.159%0.59429%0.293SS*.Hα-helixtrans-59-30.6175.2-72.4-15.3000112.5N96N92-N96 WeakPolarHBondContact O-CB 3.43Å; N92-N96 PolarHBondContact O-N 2.69Å; N92-N96 PolarHBondContact O-ND2 3.11Å
93L90.8Very high91Very high146 Ų14655.1 Ų55.176%0.76429%0.29SS*.Hα-helixtrans-67-49.9176.7-72.4171.8000111.4S91 M95 N96 E97S91-L93 PolarHBondContact O-N 2.81Å; L93-M95 VanDerWaalsContact C-N 3.33Å; L93-M95 PolarHBondContact O-N 3.28Å; L93-N96 PolarHBondContact O-N 2.85Å; L93-E97 PolarHBondContact O-N 3.16Å
94E92.7Very high90.9Very high82 Ų8262.6 Ų62.638%0.38332%0.316SS..Hα-helixtrans-63.4-39.6178-68.4164.1122.100111.7L90 S91 E97 R98L90-E94 HydrophobicContact CB-CB 4.35Å; L90-E94 HydrophobicContact CD2-CB 4.38Å; S91-E94 WeakPolarHBondContact CB-OE2 3.2Å; S91-E94 PolarHBondContact N-OE2 2.81Å; S91-E94 PolarHBondContact O-N 2.79Å; S91-E94 WeakPolarHBondContact OG-CG 3.47Å; S91-E94 PolarHBondContact OG-N 3.04Å; S91-E94 PolarHBondContact OG-OE2 3.12Å; E94-E97 PolarHBondContact O-N 3.38Å; E94-R98 VanDerWaalsContact O-CG 3.32Å; E94-R98 WeakPolarHBondContact O-CG 3.39Å; E94-R98 PolarHBondContact O-N 3.3Å
95M91.6Very high90.8Very high16 Ų1664.3 Ų64.38%0.07934%0.335CS..Hα-helixtrans-58.8-52.9174.6-179.8-171.174.400111I86 S91 L93 E97 R98 V99 F122 L125I86-M95 HydrophobicContact CD1-CG 4.16Å; I86-M95 HydrophobicContact CG2-CG 3.8Å; I86-M95 HydrophobicContact CG2-SD 4.29Å; S91-M95 PolarHBondContact O-N 2.76Å; L93-M95 VanDerWaalsContact C-N 3.33Å; L93-M95 PolarHBondContact O-N 3.28Å; M95-E97 VanDerWaalsContact C-N 3.27Å; M95-E97 PolarHBondContact O-N 3.42Å; M95-R98 PolarHBondContact O-N 3.18Å; M95-R98 VanDerWaalsContact O-N 3.16Å; M95-V99 WeakPolarHBondContact O-CG2 3.31Å; M95-V99 PolarHBondContact O-N 3.45Å; M95-F122 HydrophobicContact SD-CD2 4.11Å; M95-L125 HydrophobicContact CE-CD1 4.13Å
96N91.7Very high90.9Very high51 Ų5167.1 Ų67.127%0.27335%0.348SS..Hα-helixtrans-61.9-36.7-179.6-74.4-20.4000112N92 L93 R100 L125N92-N96 WeakPolarHBondContact O-CB 3.43Å; N92-N96 PolarHBondContact O-N 2.69Å; N92-N96 PolarHBondContact O-ND2 3.11Å; L93-N96 PolarHBondContact O-N 2.85Å; N96-R100 VanDerWaalsContact O-CG 3.28Å; N96-R100 WeakPolarHBondContact O-CG 3.17Å; N96-R100 PolarHBondContact O-N 2.7Å; N96-L125 VanDerWaalsContact OD1-CD1 3.31Å; N96-L125 WeakPolarHBondContact OD1-CD1 3.36Å
97E94.3Very high91.1Very high97 Ų9767.7 Ų67.745%0.45335%0.351SS..Hα-helixtrans-62.8-47174.1-167.2-168148.600111.5L93 E94 M95 V99 R100 K101L93-E97 PolarHBondContact O-N 3.16Å; E94-E97 PolarHBondContact O-N 3.38Å; M95-E97 VanDerWaalsContact C-N 3.27Å; M95-E97 PolarHBondContact O-N 3.42Å; E97-V99 PolarHBondContact O-N 3.11Å; E97-R100 PolarHBondContact O-N 3.05Å; E97-K101 HydrophobicContact CG-CD 4.48Å; E97-K101 WeakPolarHBondContact O-CG 3.38Å; E97-K101 PolarHBondContact O-N 3.26Å; E97-K101 VanDerWaalsContact OE1-CE 3.28Å; E97-K101 WeakPolarHBondContact OE1-CE 3.26Å; E97-K101 IonicContact OE1-NZ 3.97Å; E97-K101 PolarHBondContact OE1-NZ 3.36Å
98R94.8Very high91.7Very high55 Ų5570.1 Ų70.121%0.20836%0.362CS..Hα-helixtrans-61.9-41.6177.7-70.6176.7-169.4-155.1-0.7111.8A84 F85 I86 E94 M95 K101 A102 I107A84-R98 HydrophobicContact CB-CG 4.49Å; F85-R98 VanDerWaalsContact CD2-NH1 3.31Å; F85-R98 VanDerWaalsContact CE2-NH1 3.3Å; F85-R98 WeakPolarHBondContact O-CD 3.49Å; F85-R98 PolarHBondContact O-NH1 2.93Å; I86-R98 HydrophobicContact CD1-CB 4.32Å; I86-R98 HydrophobicContact CG1-CB 4.35Å; E94-R98 VanDerWaalsContact O-CG 3.32Å; E94-R98 WeakPolarHBondContact O-CG 3.39Å; E94-R98 PolarHBondContact O-N 3.3Å; M95-R98 PolarHBondContact O-N 3.18Å; M95-R98 VanDerWaalsContact O-N 3.16Å; R98-K101 PolarHBondContact O-N 3.16Å; R98-A102 WeakPolarHBondContact O-CB 3.46Å; R98-A102 PolarHBondContact O-N 3.44Å; R98-I107 WeakPolarHBondContact O-CD1 3.44Å
99V94.1Very high92.6Very high8 Ų865.8 Ų65.85%0.04833%0.331CS..Hα-helixtrans-61.9-44.4174.5172.50000111.2I86 M95 E97 K101 A102 A103 F122 L125 V129I86-V99 HydrophobicContact CD1-CG2 3.81Å; M95-V99 WeakPolarHBondContact O-CG2 3.31Å; M95-V99 PolarHBondContact O-N 3.45Å; E97-V99 PolarHBondContact O-N 3.11Å; V99-K101 PolarHBondContact O-N 2.85Å; V99-A102 WeakPolarHBondContact O-CB 3.16Å; V99-A102 PolarHBondContact O-N 3.22Å; V99-A103 PolarHBondContact O-N 3.44Å; V99-F122 HydrophobicContact CG2-CE2 4.03Å; V99-L125 HydrophobicContact CG1-CB 4.1Å; V99-V129 HydrophobicContact CG1-CG2 3.87Å
100R94.7Very high93.4Very high169 Ų16961 Ų6164%0.63830%0.302SS*.Hα-helixtrans-63-41.7177.2-73.2173.7-170169.23.3112.2N96 E97 A102 A103 R104N96-R100 VanDerWaalsContact O-CG 3.28Å; N96-R100 WeakPolarHBondContact O-CG 3.17Å; N96-R100 PolarHBondContact O-N 2.7Å; E97-R100 PolarHBondContact O-N 3.05Å; R100-A102 VanDerWaalsContact C-N 3.31Å; R100-A102 PolarHBondContact O-N 3.05Å; R100-A103 PolarHBondContact O-N 2.91Å; R100-R104 WeakPolarHBondContact O-CG 3.42Å; R100-R104 PolarHBondContact O-N 3.18Å
101K95.9Very high93.9Very high70 Ų7060.1 Ų60.130%0.30430%0.297SS..Hα-helixtrans-59.8-43.4174.1-72.3179.4163.1164.30111.1E97 R98 V99 R104 G105 E106 I107E97-K101 HydrophobicContact CG-CD 4.48Å; E97-K101 WeakPolarHBondContact O-CG 3.38Å; E97-K101 PolarHBondContact O-N 3.26Å; E97-K101 VanDerWaalsContact OE1-CE 3.28Å; E97-K101 WeakPolarHBondContact OE1-CE 3.26Å; E97-K101 IonicContact OE1-NZ 3.97Å; E97-K101 PolarHBondContact OE1-NZ 3.36Å; R98-K101 PolarHBondContact O-N 3.16Å; V99-K101 PolarHBondContact O-N 2.85Å; K101-R104 PolarHBondContact O-N 3.11Å; K101-G105 PolarHBondContact O-N 2.98Å; K101-E106 HydrophobicContact CB-CB 4.26Å; K101-E106 WeakPolarHBondContact CG-OE2 3.35Å; K101-E106 WeakPolarHBondContact O-CB 3.42Å; K101-E106 PolarHBondContact O-N 3.3Å; K101-I107 HydrophobicContact CB-CD1 3.58Å; K101-I107 HydrophobicContact CB-CG1 4.07Å
102A95.5Very high94.2Very high1 Ų157.6 Ų57.61%0.00828%0.28CS..Hα-helixtrans-63.6-43.9175.200000112.5L58 R98 V99 R100 R104 G105 I107 L110 V129L58-A102 HydrophobicContact CD1-CB 4.33Å; L58-A102 HydrophobicContact CD2-CB 4.21Å; R98-A102 WeakPolarHBondContact O-CB 3.46Å; R98-A102 PolarHBondContact O-N 3.44Å; V99-A102 WeakPolarHBondContact O-CB 3.16Å; V99-A102 PolarHBondContact O-N 3.22Å; R100-A102 VanDerWaalsContact C-N 3.31Å; R100-A102 PolarHBondContact O-N 3.05Å; A102-R104 PolarHBondContact O-N 2.88Å; A102-G105 PolarHBondContact O-N 3.1Å; A102-I107 HydrophobicContact CB-CB 4.34Å; A102-I107 HydrophobicContact CB-CD1 4.36Å; A102-L110 HydrophobicContact CB-CD2 4.46Å; A102-V129 HydrophobicContact CB-CG1 4Å
103A94.3Very high94.2Very high38 Ų3852.8 Ų52.831%0.31426%0.255SS..Hα-helixtrans-61.4-31.8176.100000112.9V99 R100 G105 V129V99-A103 PolarHBondContact O-N 3.44Å; R100-A103 PolarHBondContact O-N 2.91Å; A103-G105 VanDerWaalsContact C-N 3.28Å; A103-G105 PolarHBondContact O-N 3.01Å; A103-V129 HydrophobicContact CB-CG2 4.1Å
104R94.9Very high93.9Very high164 Ų16445.9 Ų45.962%0.61922%0.219SC*.THydrogen-bonded Turntrans-81.9-0.6175.3-67.6-175.8-58.7-178.413.2113.9R100 K101 A102 E106R100-R104 WeakPolarHBondContact O-CG 3.42Å; R100-R104 PolarHBondContact O-N 3.18Å; K101-R104 PolarHBondContact O-N 3.11Å; A102-R104 PolarHBondContact O-N 2.88Å; R104-E106 VanDerWaalsContact C-N 3.28Å; R104-E106 HydrophobicContact CB-CG 4.25Å; R104-E106 IonicContact CZ-OE1 2.73Å; R104-E106 IonicContact CZ-OE2 3.72Å; R104-E106 IonicContact NE-OE1 2.74Å; R104-E106 PolarHBondContact NE-OE1 2.96Å; R104-E106 IonicContact NH1-OE1 3.7Å; R104-E106 VanDerWaalsContact NH2-CD 3.32Å; R104-E106 IonicContact NH2-OE1 3.23Å; R104-E106 PolarHBondContact NH2-OE1 2.94Å; R104-E106 IonicContact NH2-OE2 3.09Å; R104-E106 PolarHBondContact NH2-OE2 2.91Å; R104-E106 PolarHBondContact O-N 3.45Å
105G93.9Very high93.5Very high46 Ų4646.4 Ų46.447%0.47422%0.222SC..THydrogen-bonded Turntrans74.513.8-177.700000114.6K101 A102 A103 I107K101-G105 PolarHBondContact O-N 2.98Å; A102-G105 PolarHBondContact O-N 3.1Å; A103-G105 VanDerWaalsContact C-N 3.28Å; A103-G105 PolarHBondContact O-N 3.01Å; G105-I107 PolarHBondContact O-N 2.73Å
106E95.7Very high93.2Very high88 Ų8848.2 Ų48.241%0.41123%0.228SC..  trans-76.8-13.3177.7-65.7168.9-150.800112.5P82 K101 R104P82-E106 WeakPolarHBondContact CB-O 3.07Å; K101-E106 HydrophobicContact CB-CB 4.26Å; K101-E106 WeakPolarHBondContact CG-OE2 3.35Å; K101-E106 WeakPolarHBondContact O-CB 3.42Å; K101-E106 PolarHBondContact O-N 3.3Å; R104-E106 VanDerWaalsContact C-N 3.28Å; R104-E106 HydrophobicContact CB-CG 4.25Å; R104-E106 IonicContact CZ-OE1 2.73Å; R104-E106 IonicContact CZ-OE2 3.72Å; R104-E106 IonicContact NE-OE1 2.74Å; R104-E106 PolarHBondContact NE-OE1 2.96Å; R104-E106 IonicContact NH1-OE1 3.7Å; R104-E106 VanDerWaalsContact NH2-CD 3.32Å; R104-E106 IonicContact NH2-OE1 3.23Å; R104-E106 PolarHBondContact NH2-OE1 2.94Å; R104-E106 IonicContact NH2-OE2 3.09Å; R104-E106 PolarHBondContact NH2-OE2 2.91Å; R104-E106 PolarHBondContact O-N 3.45Å
107I96.4Very high93Very high13 Ų1345.9 Ų45.97%0.06722%0.215CC..  trans-122129.9178.2-63.5166.9000108L58 A84 R98 K101 A102 G105 L109L58-I107 HydrophobicContact CD1-CB 4.48Å; L58-I107 HydrophobicContact CD1-CG2 4.05Å; L58-I107 VanDerWaalsContact CD1-O 3.27Å; L58-I107 WeakPolarHBondContact CD1-O 3.06Å; A84-I107 HydrophobicContact CB-CD1 3.77Å; A84-I107 HydrophobicContact CB-CG1 4.43Å; A84-I107 HydrophobicContact CB-CG2 4.33Å; R98-I107 WeakPolarHBondContact O-CD1 3.44Å; K101-I107 HydrophobicContact CB-CD1 3.58Å; K101-I107 HydrophobicContact CB-CG1 4.07Å; A102-I107 HydrophobicContact CB-CB 4.34Å; A102-I107 HydrophobicContact CB-CD1 4.36Å; G105-I107 PolarHBondContact O-N 2.73Å; I107-L109 WeakPolarHBondContact CG2-O 3.25Å
108K96.5Very high92.5Very high53 Ų5344.1 Ų44.123%0.2321%0.207CC..SBendtrans-93.8-33.3176-74.8-59.7-166.6172.10113.1L55 E56 T59 P82L55-K108 PolarHBondContact O-NZ 3.49Å; E56-K108 PolarHBondContact O-NZ 2.86Å; T59-K108 PolarHBondContact N-O 3.48Å; P82-K108 PolarHBondContact O-N 2.97Å
109L97.8Very high92.2Very high0 Ų043.5 Ų43.50%021%0.211CC..EExtended strand (participates in β ladder)trans-125.1126175.9-67.4101.9000111.5Y48 Q49 A52 T59 V61 L76 I81 P82 A83 A84 I107 Y111Y48-L109 HydrophobicContact CD2-CD2 3.9Å; Y48-L109 HydrophobicContact CE2-CD2 4.17Å; Q49-L109 HydrophobicContact CG-CD2 3.93Å; A52-L109 HydrophobicContact CB-CD1 3.67Å; A52-L109 HydrophobicContact CB-CD2 4.08Å; A52-L109 HydrophobicContact CB-CG 3.72Å; T59-L109 HydrophobicContact CG2-CD2 4.39Å; T59-L109 WeakPolarHBondContact O-CA 3.41Å; V61-L109 HydrophobicContact CG2-CD2 4.08Å; L76-L109 HydrophobicContact CD1-CB 4.4Å; L76-L109 HydrophobicContact CD1-CD1 4.24Å; L76-L109 HydrophobicContact CD1-CD2 4.24Å; I81-L109 HydrophobicContact CG2-CD1 3.56Å; P82-L109 PolarHBondContact O-N 3.25Å; A83-L109 VanDerWaalsContact CA-O 3.29Å; A83-L109 WeakPolarHBondContact CA-O 3.49Å; A83-L109 HydrophobicContact CB-CB 4.16Å; A84-L109 PolarHBondContact N-O 3.29Å; I107-L109 WeakPolarHBondContact CG2-O 3.25Å; L109-Y111 HydrophobicContact CB-CE2 4.1Å; L109-Y111 HydrophobicContact CD2-CE2 4.45Å
110L97Very high91.8Very high0 Ų045.7 Ų45.70%023%0.23CC..EExtended strand (participates in β ladder)trans-117.9111.6174.2-173.663.8000109.9L58 T59 L60 V61 A84 I86 A102 V112L58-L110 HydrophobicContact CD1-CB 3.97Å; L58-L110 HydrophobicContact CD2-CB 3.8Å; L58-L110 HydrophobicContact CD2-CD2 4.04Å; L58-L110 HydrophobicContact CG-CB 4.29Å; T59-L110 PolarHBondContact O-N 3.11Å; L60-L110 HydrophobicContact CD1-CB 4.22Å; L60-L110 HydrophobicContact CD1-CD2 4.1Å; L60-L110 HydrophobicContact CD1-CG 4.27Å; V61-L110 PolarHBondContact N-O 3.44Å; A84-L110 HydrophobicContact CB-CD1 4.02Å; A84-L110 CarbonylContact O-C 3.31Å; A84-L110 WeakPolarHBondContact O-CA 3.39Å; I86-L110 HydrophobicContact CD1-CD1 4.02Å; I86-L110 HydrophobicContact CD1-CD2 4.01Å; I86-L110 HydrophobicContact CD1-CG 4.4Å; I86-L110 HydrophobicContact CG1-CD1 3.99Å; A102-L110 HydrophobicContact CB-CD2 4.46Å; L110-V112 HydrophobicContact CD2-CG2 4.32Å; L110-V112 HydrophobicContact CG-CG2 3.99Å
111Y95.9Very high91.5Very high1 Ų143.6 Ų43.60%0.00423%0.231CC..EExtended strand (participates in β ladder)trans-84.4133.3176.4-71.5-101000110.6Y48 Q49 V61 M69 Q72 V73 L76 A84 F85 I86 L109Y48-Y111 HydrophobicContact CE2-CE1 4.38Å; Y48-Y111 WeakPolarHBondContact CE2-OH 3.27Å; Q49-Y111 PolarHBondContact NE2-OH 3.33Å; V61-Y111 HydrophobicContact CB-CD1 3.69Å; V61-Y111 HydrophobicContact CB-CE1 3.82Å; V61-Y111 HydrophobicContact CB-CG 4.08Å; V61-Y111 HydrophobicContact CG1-CD1 3.66Å; V61-Y111 HydrophobicContact CG1-CE1 3.54Å; V61-Y111 HydrophobicContact CG2-CD1 4.4Å; V61-Y111 HydrophobicContact CG2-CE1 4.16Å; V61-Y111 HydrophobicContact CG2-CE2 4.42Å; V61-Y111 CarbonylContact O-C 3.52Å; V61-Y111 VanDerWaalsContact O-CA 3.24Å; V61-Y111 WeakPolarHBondContact O-CA 3.41Å; M69-Y111 HydrophobicContact CG-CD1 4.34Å; M69-Y111 HydrophobicContact CG-CG 4.49Å; Q72-Y111 HydrophobicContact CB-CE1 3.88Å; Q72-Y111 HydrophobicContact CB-CE2 4.28Å; Q72-Y111 HydrophobicContact CG-CE1 4.19Å; V73-Y111 HydrophobicContact CG2-CD2 3.58Å; V73-Y111 HydrophobicContact CG2-CE2 4.07Å; V73-Y111 HydrophobicContact CG2-CG 4.3Å; L76-Y111 HydrophobicContact CD1-CE2 3.77Å; A84-Y111 PolarHBondContact O-N 3.12Å; F85-Y111 CarbonylContact C-O 3.55Å; F85-Y111 VanDerWaalsContact C-O 3.31Å; F85-Y111 WeakPolarHBondContact CA-O 3.41Å; I86-Y111 PolarHBondContact N-O 3.47Å; L109-Y111 HydrophobicContact CB-CE2 4.1Å; L109-Y111 HydrophobicContact CD2-CE2 4.45Å
112V92.9Very high91.2Very high0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-138.6139.6-175.8-176.10000110.7L60 V61 I62 S63 I86 L110 R116 L117 F122L60-V112 HydrophobicContact CD1-CB 4.38Å; L60-V112 HydrophobicContact CD1-CG2 3.55Å; V61-V112 PolarHBondContact O-N 3.31Å; I62-V112 WeakPolarHBondContact CA-O 3.47Å; S63-V112 PolarHBondContact N-O 3.16Å; S63-V112 VanDerWaalsContact N-O 3.14Å; I86-V112 HydrophobicContact CB-CG2 4.36Å; L110-V112 HydrophobicContact CD2-CG2 4.32Å; L110-V112 HydrophobicContact CG-CG2 3.99Å; V112-R116 HydrophobicContact CG1-CB 3.76Å; V112-R116 HydrophobicContact CG1-CG 3.93Å; V112-L117 HydrophobicContact CG1-CG 4.27Å; V112-F122 HydrophobicContact CG1-CE1 3.82Å; V112-F122 HydrophobicContact CG1-CZ 4.07Å; V112-F122 HydrophobicContact CG2-CE1 4.49Å; V112-F122 HydrophobicContact CG2-CZ 4.11Å
113A87.4Confident90.9Very high10 Ų1045.1 Ų45.18%0.08324%0.235CC..  trans-73.3141.1171.400000110.7M69 I86 E115 R116M69-A113 HydrophobicContact CE-CB 3.97Å; I86-A113 PolarHBondContact O-N 3.02Å; A113-E115 VanDerWaalsContact C-N 3.27Å; A113-E115 PolarHBondContact O-N 2.71Å; A113-R116 VanDerWaalsContact O-CB 3.28Å; A113-R116 WeakPolarHBondContact O-CB 3.32Å; A113-R116 PolarHBondContact O-N 3.33Å
114P84.4Confident90.6Very high1 Ų147.9 Ų47.91%0.00624%0.241CC..Hα-helixtrans-57.4-38.3-178.625.6-36.3000112.6I62 S63 R116 L117 Y153I62-P114 HydrophobicContact CG2-CB 4.16Å; S63-P114 WeakPolarHBondContact O-CD 3.19Å; P114-R116 PolarHBondContact O-N 3.48Å; P114-R116 VanDerWaalsContact O-N 3.16Å; P114-L117 WeakPolarHBondContact O-CB 3.19Å; P114-L117 PolarHBondContact O-N 2.98Å; P114-Y153 HydrophobicContact CB-CD2 4Å; P114-Y153 HydrophobicContact CB-CE2 3.93Å; P114-Y153 HydrophobicContact CB-CG 4.47Å; P114-Y153 HydrophobicContact CG-CD2 3.85Å; P114-Y153 HydrophobicContact CG-CE2 3.43Å; P114-Y153 VanDerWaalsContact CG-CE2 3.43Å
115E83.8Confident90.4Very high94 Ų9442.5 Ų42.544%0.43923%0.225SC..Hα-helixtrans-61.9-26.5178.1-60.273.4-157.100112.2A113 E118 S152A113-E115 VanDerWaalsContact C-N 3.27Å; A113-E115 PolarHBondContact O-N 2.71Å; E115-E118 WeakPolarHBondContact O-CB 3.46Å; E115-E118 PolarHBondContact O-N 3.24Å; E115-S152 PolarHBondContact OE1-OG 2.99Å
116R86.2Confident90.2Very high54 Ų5440.3 Ų40.320%0.20420%0.202CC..Hα-helixtrans-72.2-33.4177.7-177.560.764.1176.77.8111.6I86 N87 V112 A113 P114 E118 S119 F122I86-R116 HydrophobicContact CG2-CG 4.03Å; N87-R116 PolarHBondContact O-NH2 3.33Å; V112-R116 HydrophobicContact CG1-CB 3.76Å; V112-R116 HydrophobicContact CG1-CG 3.93Å; A113-R116 VanDerWaalsContact O-CB 3.28Å; A113-R116 WeakPolarHBondContact O-CB 3.32Å; A113-R116 PolarHBondContact O-N 3.33Å; P114-R116 PolarHBondContact O-N 3.48Å; P114-R116 VanDerWaalsContact O-N 3.16Å; R116-E118 PolarHBondContact O-N 3.2Å; R116-S119 WeakPolarHBondContact O-CB 3.47Å; R116-S119 PolarHBondContact O-N 2.86Å; R116-F122 HydrophobicContact CG-CD1 3.75Å; R116-F122 HydrophobicContact CG-CD2 4.19Å; R116-F122 HydrophobicContact CG-CE1 3.91Å; R116-F122 HydrophobicContact CG-CE2 4.36Å; R116-F122 HydrophobicContact CG-CG 3.88Å; R116-F122 HydrophobicContact CG-CZ 4.22Å; R116-F122 WeakPolarHBondContact O-CD1 3.28Å
117L86.7Confident90Very high1 Ų142.3 Ų42.31%0.00521%0.206CC..Hα-helixtrans-68.6-19.6176.6-76.4171.3000112.8L60 I62 V112 P114 S119 F122 R123 L126 L156 T159 F163L60-L117 HydrophobicContact CD2-CD2 4.34Å; I62-L117 HydrophobicContact CD1-CD1 3.74Å; I62-L117 HydrophobicContact CG1-CD1 3.57Å; V112-L117 HydrophobicContact CG1-CG 4.27Å; P114-L117 WeakPolarHBondContact O-CB 3.19Å; P114-L117 PolarHBondContact O-N 2.98Å; L117-S119 PolarHBondContact O-N 2.98Å; L117-F122 HydrophobicContact CD2-CD1 4.13Å; L117-F122 HydrophobicContact CD2-CE1 3.81Å; L117-F122 HydrophobicContact CG-CE1 4.44Å; L117-R123 WeakPolarHBondContact O-CD 3.15Å; L117-R123 VanDerWaalsContact O-CG 3.3Å; L117-R123 WeakPolarHBondContact O-CG 3.28Å; L117-R123 PolarHBondContact O-NE 3.12Å; L117-L126 HydrophobicContact CD2-CD1 3.59Å; L117-L156 HydrophobicContact CB-CD1 4.48Å; L117-L156 HydrophobicContact CD1-CD1 3.44Å; L117-L156 VanDerWaalsContact CD1-CD1 3.44Å; L117-T159 HydrophobicContact CB-CG2 4.45Å; L117-F163 HydrophobicContact CD2-CZ 4.17Å
118E84.5Confident89.7Confident61 Ų6150.2 Ų50.229%0.28524%0.236SC..THydrogen-bonded Turntrans-68.3-25.2172.9-61.5-171.2-144.700112.6E115 R116 A120 S152 K155E115-E118 WeakPolarHBondContact O-CB 3.46Å; E115-E118 PolarHBondContact O-N 3.24Å; R116-E118 PolarHBondContact O-N 3.2Å; E118-A120 PolarHBondContact O-N 3.38Å; E118-S152 WeakPolarHBondContact OE1-CA 3.46Å; E118-S152 WeakPolarHBondContact OE1-CB 3.26Å; E118-K155 HydrophobicContact CG-CD 4.17Å; E118-K155 VanDerWaalsContact OE2-CD 3.26Å; E118-K155 WeakPolarHBondContact OE2-CD 2.81Å; E118-K155 IonicContact OE2-NZ 2.72Å; E118-K155 PolarHBondContact OE2-NZ 3.05Å
119S87.1Confident89.6Confident41 Ų4147.8 Ų47.829%0.28723%0.226SC..  trans-66.1120.1179.5175.30000111R116 L117 D121 F122 R123R116-S119 WeakPolarHBondContact O-CB 3.47Å; R116-S119 PolarHBondContact O-N 2.86Å; L117-S119 PolarHBondContact O-N 2.98Å; S119-D121 VanDerWaalsContact C-N 3.34Å; S119-D121 PolarHBondContact O-N 2.97Å; S119-F122 PolarHBondContact O-N 2.98Å; S119-F122 PolarHBondContact OG-N 2.92Å; S119-R123 PolarHBondContact O-N 3.33Å
120A86.6Confident89.4Confident54 Ų5450.8 Ų50.845%0.44625%0.245SC..Hα-helixtrans-59-45.117600000111.7E118 F122 R123 E124E118-A120 PolarHBondContact O-N 3.38Å; A120-F122 VanDerWaalsContact C-N 3.28Å; A120-F122 PolarHBondContact O-N 3.14Å; A120-R123 PolarHBondContact O-N 2.73Å; A120-R123 VanDerWaalsContact O-N 3.11Å; A120-E124 PolarHBondContact O-N 3.16Å
121D88.1Confident89.4Confident126 Ų12651 Ų5167%0.67425%0.247SC*.Hα-helixtrans-58.3-40.9178.1-61.7-17.4000112S119 E124 L125S119-D121 VanDerWaalsContact C-N 3.34Å; S119-D121 PolarHBondContact O-N 2.97Å; D121-E124 PolarHBondContact O-N 3.44Å; D121-L125 WeakPolarHBondContact O-CG 3.49Å; D121-L125 PolarHBondContact O-N 2.97Å; D121-L125 VanDerWaalsContact O-N 3.08Å
122F89.9Confident89.3Confident2 Ų253.3 Ų53.31%0.00926%0.257CS..Hα-helixtrans-68.2-39.7177.1-175.8-111000112I86 M95 V99 V112 R116 L117 S119 A120 L125 L126I86-F122 HydrophobicContact CD1-CE2 3.73Å; I86-F122 HydrophobicContact CD1-CZ 4.12Å; I86-F122 HydrophobicContact CG2-CE2 4.3Å; M95-F122 HydrophobicContact SD-CD2 4.11Å; V99-F122 HydrophobicContact CG2-CE2 4.03Å; V112-F122 HydrophobicContact CG1-CE1 3.82Å; V112-F122 HydrophobicContact CG1-CZ 4.07Å; V112-F122 HydrophobicContact CG2-CE1 4.49Å; V112-F122 HydrophobicContact CG2-CZ 4.11Å; R116-F122 HydrophobicContact CG-CD1 3.75Å; R116-F122 HydrophobicContact CG-CD2 4.19Å; R116-F122 HydrophobicContact CG-CE1 3.91Å; R116-F122 HydrophobicContact CG-CE2 4.36Å; R116-F122 HydrophobicContact CG-CG 3.88Å; R116-F122 HydrophobicContact CG-CZ 4.22Å; R116-F122 WeakPolarHBondContact O-CD1 3.28Å; L117-F122 HydrophobicContact CD2-CD1 4.13Å; L117-F122 HydrophobicContact CD2-CE1 3.81Å; L117-F122 HydrophobicContact CG-CE1 4.44Å; S119-F122 PolarHBondContact O-N 2.98Å; S119-F122 PolarHBondContact OG-N 2.92Å; A120-F122 VanDerWaalsContact C-N 3.28Å; A120-F122 PolarHBondContact O-N 3.14Å; F122-L125 WeakPolarHBondContact O-CB 3.45Å; F122-L125 PolarHBondContact O-N 3.04Å; F122-L126 HydrophobicContact CD1-CD1 3.97Å; F122-L126 HydrophobicContact CD1-CG 4.25Å; F122-L126 HydrophobicContact CE1-CD1 3.49Å; F122-L126 VanDerWaalsContact CE1-CD1 3.49Å; F122-L126 HydrophobicContact CE1-CD2 4.21Å; F122-L126 HydrophobicContact CE1-CG 3.86Å; F122-L126 HydrophobicContact CE2-CD2 4.36Å; F122-L126 HydrophobicContact CE2-CG 4.44Å; F122-L126 HydrophobicContact CZ-CD1 4.02Å; F122-L126 HydrophobicContact CZ-CD2 3.85Å; F122-L126 HydrophobicContact CZ-CG 3.96Å; F122-L126 WeakPolarHBondContact O-CG 3.42Å; F122-L126 PolarHBondContact O-N 3.25Å
123R89Confident89.5Confident100 Ų10053.3 Ų53.338%0.37726%0.257SS..Hα-helixtrans-63.4-40.5175.3-72-175.6-72.1149.6-6.2112.2L117 S119 A120 L125 L126 R127 T159L117-R123 WeakPolarHBondContact O-CD 3.15Å; L117-R123 VanDerWaalsContact O-CG 3.3Å; L117-R123 WeakPolarHBondContact O-CG 3.28Å; L117-R123 PolarHBondContact O-NE 3.12Å; S119-R123 PolarHBondContact O-N 3.33Å; A120-R123 PolarHBondContact O-N 2.73Å; A120-R123 VanDerWaalsContact O-N 3.11Å; R123-L125 VanDerWaalsContact C-N 3.32Å; R123-L125 PolarHBondContact O-N 2.85Å; R123-L126 PolarHBondContact O-N 2.97Å; R123-R127 PolarHBondContact O-N 2.82Å; R123-T159 HydrophobicContact CG-CG2 4.49Å
124E88.7Confident90Very high96 Ų9652.8 Ų52.845%0.44925%0.253SS..Hα-helixtrans-62.6-39.3173.9-70.7-57.9148.700111.8A120 D121 R127 Y128A120-E124 PolarHBondContact O-N 3.16Å; D121-E124 PolarHBondContact O-N 3.44Å; E124-R127 VanDerWaalsContact CD-NH1 3.31Å; E124-R127 WeakPolarHBondContact O-CB 3.31Å; E124-R127 PolarHBondContact O-N 3.45Å; E124-R127 IonicContact OE1-CZ 3.23Å; E124-R127 IonicContact OE1-NH1 3.57Å; E124-R127 PolarHBondContact OE1-NH1 2.96Å; E124-R127 WeakPolarHBondContact OE2-CD 3.21Å; E124-R127 IonicContact OE2-CZ 2.84Å; E124-R127 IonicContact OE2-NE 2.73Å; E124-R127 IonicContact OE2-NH1 3.56Å; E124-R127 PolarHBondContact OE2-NH1 3.38Å; E124-Y128 WeakPolarHBondContact O-CD2 3.46Å
125L89.2Confident90.6Very high51 Ų5152.8 Ų52.827%0.26725%0.253SS..Hα-helixtrans-63.8-39.5173.9-76.6177.9000112.9M95 N96 V99 D121 F122 R123 R127 Y128M95-L125 HydrophobicContact CE-CD1 4.13Å; N96-L125 VanDerWaalsContact OD1-CD1 3.31Å; N96-L125 WeakPolarHBondContact OD1-CD1 3.36Å; V99-L125 HydrophobicContact CG1-CB 4.1Å; D121-L125 WeakPolarHBondContact O-CG 3.49Å; D121-L125 PolarHBondContact O-N 2.97Å; D121-L125 VanDerWaalsContact O-N 3.08Å; F122-L125 WeakPolarHBondContact O-CB 3.45Å; F122-L125 PolarHBondContact O-N 3.04Å; R123-L125 VanDerWaalsContact C-N 3.32Å; R123-L125 PolarHBondContact O-N 2.85Å; L125-R127 PolarHBondContact O-N 3.39Å; L125-Y128 PolarHBondContact O-N 3.14Å
126L90.9Very high91.1Very high1 Ų148.3 Ų48.31%0.00523%0.232CC..Hα-helixtrans-65.8-21.7178.7-74.3-177.2000113.4L60 L117 F122 R123 Y128 V129 I131 F163 Q165L60-L126 HydrophobicContact CD2-CD1 4.2Å; L117-L126 HydrophobicContact CD2-CD1 3.59Å; F122-L126 HydrophobicContact CD1-CD1 3.97Å; F122-L126 HydrophobicContact CD1-CG 4.25Å; F122-L126 HydrophobicContact CE1-CD1 3.49Å; F122-L126 VanDerWaalsContact CE1-CD1 3.49Å; F122-L126 HydrophobicContact CE1-CD2 4.21Å; F122-L126 HydrophobicContact CE1-CG 3.86Å; F122-L126 HydrophobicContact CE2-CD2 4.36Å; F122-L126 HydrophobicContact CE2-CG 4.44Å; F122-L126 HydrophobicContact CZ-CD1 4.02Å; F122-L126 HydrophobicContact CZ-CD2 3.85Å; F122-L126 HydrophobicContact CZ-CG 3.96Å; F122-L126 WeakPolarHBondContact O-CG 3.42Å; F122-L126 PolarHBondContact O-N 3.25Å; R123-L126 PolarHBondContact O-N 2.97Å; L126-Y128 PolarHBondContact O-N 3.3Å; L126-V129 PolarHBondContact O-N 3.12Å; L126-I131 HydrophobicContact CB-CD1 4.33Å; L126-I131 HydrophobicContact CD2-CD1 4.32Å; L126-F163 HydrophobicContact CD1-CE1 4.19Å; L126-F163 HydrophobicContact CD1-CZ 3.93Å; L126-Q165 PolarHBondContact O-NE2 3.38Å
127R90.1Very high91.4Very high130 Ų13045.9 Ų45.949%0.49122%0.223SC..THydrogen-bonded Turntrans-61.2-25.8174.9-70.5178148.7168.9-4.2113.3R123 E124 L125 V129 D164R123-R127 PolarHBondContact O-N 2.82Å; E124-R127 VanDerWaalsContact CD-NH1 3.31Å; E124-R127 WeakPolarHBondContact O-CB 3.31Å; E124-R127 PolarHBondContact O-N 3.45Å; E124-R127 IonicContact OE1-CZ 3.23Å; E124-R127 IonicContact OE1-NH1 3.57Å; E124-R127 PolarHBondContact OE1-NH1 2.96Å; E124-R127 WeakPolarHBondContact OE2-CD 3.21Å; E124-R127 IonicContact OE2-CZ 2.84Å; E124-R127 IonicContact OE2-NE 2.73Å; E124-R127 IonicContact OE2-NH1 3.56Å; E124-R127 PolarHBondContact OE2-NH1 3.38Å; L125-R127 PolarHBondContact O-N 3.39Å; R127-V129 VanDerWaalsContact C-N 3.33Å; R127-D164 IonicContact CZ-OD2 3.03Å; R127-D164 IonicContact NE-OD2 3.12Å; R127-D164 PolarHBondContact NE-OD2 2.91Å; R127-D164 IonicContact NH2-OD1 2.75Å; R127-D164 IonicContact NH2-OD2 3.44Å; R127-D164 PolarHBondContact NH2-OD2 2.76Å
128Y90.7Very high91.4Very high179 Ų17947 Ų4770%0.70223%0.229SC*.THydrogen-bonded Turntrans-87.5-3177.2-58.2-75.7000113.5E124 L125 L126E124-Y128 WeakPolarHBondContact O-CD2 3.46Å; L125-Y128 PolarHBondContact O-N 3.14Å; L126-Y128 PolarHBondContact O-N 3.3Å
129V94.3Very high91.8Very high1 Ų144.1 Ų44.11%0.00622%0.215CC..SBendtrans-105.8122-178.8-176.70000108.3L58 V99 A102 A103 L126 R127 I131 Q165L58-V129 HydrophobicContact CB-CG1 4.12Å; L58-V129 HydrophobicContact CD2-CG1 3.49Å; L58-V129 VanDerWaalsContact CD2-CG1 3.49Å; L58-V129 HydrophobicContact CG-CG1 4.39Å; V99-V129 HydrophobicContact CG1-CG2 3.87Å; A102-V129 HydrophobicContact CB-CG1 4Å; A103-V129 HydrophobicContact CB-CG2 4.1Å; L126-V129 PolarHBondContact O-N 3.12Å; R127-V129 VanDerWaalsContact C-N 3.33Å; V129-I131 HydrophobicContact CG1-CG1 4.3Å; V129-I131 PolarHBondContact O-N 3.03Å; V129-Q165 PolarHBondContact O-NE2 2.59Å; V129-Q165 PolarHBondContact O-OE1 3.14Å; V129-Q165 VanDerWaalsContact O-OE1 3.12Å
130P94.8Very high91.8Very high63 Ų6342.3 Ų42.341%0.40920%0.202SC..  trans-72.9100.1179.828.7-32.9000110G57 L58G57-P130 CarbonylContact C-O 3.41Å; G57-P130 WeakPolarHBondContact CA-O 3.36Å; L58-P130 WeakPolarHBondContact CB-O 3.32Å; L58-P130 PolarHBondContact N-O 3.35Å
131I95.7Very high91.8Very high6 Ų639.9 Ų39.93%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-97.2119.6-178.9-59.3159.9000108.6L58 L60 L126 V129 F163 P167L58-I131 HydrophobicContact CD2-CG1 4.34Å; L60-I131 HydrophobicContact CB-CG2 3.99Å; L60-I131 HydrophobicContact CD2-CD1 4.22Å; L126-I131 HydrophobicContact CB-CD1 4.33Å; L126-I131 HydrophobicContact CD2-CD1 4.32Å; V129-I131 HydrophobicContact CG1-CG1 4.3Å; V129-I131 PolarHBondContact O-N 3.03Å; I131-F163 HydrophobicContact CD1-CD1 4.34Å; I131-F163 HydrophobicContact CD1-CE1 3.65Å; I131-P167 HydrophobicContact CG2-CB 3.9Å; I131-P167 HydrophobicContact CG2-CG 4.17Å
132E94.7Very high91.6Very high48 Ų4833.9 Ų33.922%0.22415%0.15CC..EExtended strand (participates in β ladder)trans-103.1-26.4179.1-82.5-163.1-131.200113.7K31 L55 E56 G57 L58 T168K31-E132 IonicContact NZ-OE2 3.52Å; K31-E132 PolarHBondContact NZ-OE2 3.13Å; L55-E132 HydrophobicContact CB-CB 4.35Å; L55-E132 HydrophobicContact CD1-CB 4.25Å; L55-E132 WeakPolarHBondContact CD2-OE2 3.07Å; E56-E132 WeakPolarHBondContact CA-OE1 3.42Å; E56-E132 WeakPolarHBondContact CB-OE1 3.26Å; E56-E132 PolarHBondContact N-OE1 3.3Å; G57-E132 PolarHBondContact N-OE1 3.27Å; L58-E132 PolarHBondContact O-N 3.09Å; E132-T168 PolarHBondContact O-N 2.78Å
133L97.6Very high91.3Very high0 Ų033.8 Ų33.80%015%0.149CC..EExtended strand (participates in β ladder)trans-137.8130.9-177.9179.460.8000109.4V28 P51 L55 T59 L60 T168 I170V28-L133 HydrophobicContact CG1-CD1 3.66Å; V28-L133 HydrophobicContact CG1-CD2 3.95Å; V28-L133 HydrophobicContact CG1-CG 4.45Å; P51-L133 HydrophobicContact CB-CD2 3.78Å; P51-L133 HydrophobicContact CG-CD2 4.47Å; L55-L133 HydrophobicContact CD1-CB 3.76Å; L55-L133 HydrophobicContact CD1-CD2 4.17Å; T59-L133 CarbonylContact C-O 3.59Å; T59-L133 WeakPolarHBondContact CA-O 3.39Å; T59-L133 HydrophobicContact CG2-CB 4.12Å; T59-L133 HydrophobicContact CG2-CD2 3.82Å; T59-L133 HydrophobicContact CG2-CG 3.96Å; L60-L133 PolarHBondContact N-O 3.34Å; L133-T168 WeakPolarHBondContact CA-O 3.21Å; L133-T168 HydrophobicContact CD1-CG2 4.39Å; L133-T168 VanDerWaalsContact CD1-O 3.31Å; L133-T168 WeakPolarHBondContact CD1-O 3.19Å; L133-I170 HydrophobicContact CD1-CB 4.28Å; L133-I170 HydrophobicContact CD1-CG2 3.69Å; L133-I170 HydrophobicContact CD2-CG2 4.44Å; L133-I170 HydrophobicContact CG-CG2 4.21Å
134L96.8Very high90.7Very high0 Ų033.8 Ų33.80%015%0.153CC..EExtended strand (participates in β ladder)trans-114.8112.1173.3-173.5152000108.3L60 I62 V136 I160 F163 P167 T168 V169 I170L60-L134 HydrophobicContact CD2-CD1 4.41Å; L60-L134 CarbonylContact O-C 3.55Å; L60-L134 WeakPolarHBondContact O-CA 3.29Å; I62-L134 HydrophobicContact CD1-CD1 4.15Å; I62-L134 HydrophobicContact CD1-CD2 3.49Å; I62-L134 VanDerWaalsContact CD1-CD2 3.49Å; I62-L134 HydrophobicContact CD1-CG 3.82Å; L134-V136 HydrophobicContact CD2-CG2 3.69Å; L134-I160 HydrophobicContact CD1-CD1 4.42Å; L134-I160 HydrophobicContact CD1-CG1 3.83Å; L134-I160 HydrophobicContact CD1-CG2 4.45Å; L134-I160 HydrophobicContact CD2-CD1 3.59Å; L134-I160 HydrophobicContact CD2-CG1 3.95Å; L134-F163 HydrophobicContact CD1-CE2 4.25Å; L134-P167 HydrophobicContact CB-CB 4.27Å; L134-P167 HydrophobicContact CB-CG 3.93Å; L134-P167 HydrophobicContact CD1-CG 4.29Å; L134-T168 PolarHBondContact N-O 2.88Å; L134-V169 HydrophobicContact CD2-CG1 4.27Å; L134-V169 CarbonylContact O-C 3.56Å; L134-V169 WeakPolarHBondContact O-CA 3.26Å; L134-I170 PolarHBondContact O-N 2.85Å
135A96.7Very high90Very high0 Ų034.4 Ų34.40%015%0.152CC..EExtended strand (participates in β ladder)trans-101.8117.4-179.900000110.3Y48 L60 V61 I62 I170Y48-A135 HydrophobicContact CD1-CB 3.79Å; Y48-A135 HydrophobicContact CD2-CB 4.4Å; Y48-A135 HydrophobicContact CG-CB 3.72Å; L60-A135 PolarHBondContact O-N 2.84Å; V61-A135 CarbonylContact C-O 3.58Å; V61-A135 WeakPolarHBondContact CA-O 3.41Å; V61-A135 HydrophobicContact CB-CB 4.47Å; V61-A135 HydrophobicContact CG1-CB 4.24Å; V61-A135 HydrophobicContact CG2-CB 4.23Å; I62-A135 PolarHBondContact N-O 2.8Å; A135-I170 CarbonylContact C-O 3.58Å; A135-I170 WeakPolarHBondContact CA-O 3.26Å; A135-I170 HydrophobicContact CB-CG2 3.54Å
136V94.6Very high89.1Confident0 Ų032 Ų320%014%0.14CC..EExtended strand (participates in β ladder)trans-95.1104.8169.8-1730000108.3I62 L134 A139 I142 Y153 L156 I160 I170 L172 L188I62-V136 HydrophobicContact CD1-CG2 4.14Å; L134-V136 HydrophobicContact CD2-CG2 3.69Å; V136-A139 HydrophobicContact CB-CB 4.47Å; V136-A139 HydrophobicContact CG1-CB 4.08Å; V136-I142 HydrophobicContact CG1-CD1 3.74Å; V136-I142 HydrophobicContact CG1-CG1 4.44Å; V136-I142 HydrophobicContact CG2-CD1 4.49Å; V136-Y153 HydrophobicContact CG1-CE1 4.18Å; V136-L156 HydrophobicContact CG1-CD2 4.22Å; V136-L156 HydrophobicContact CG2-CD2 4.4Å; V136-I160 HydrophobicContact CG2-CD1 3.98Å; V136-I170 PolarHBondContact N-O 2.87Å; V136-L172 PolarHBondContact O-N 3.35Å; V136-L188 HydrophobicContact CG2-CD1 4.29Å
137D91.9Very high88.2Confident4 Ų432 Ų322%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-84.1147.9172-155.43.7000110.4I62 A139I62-D137 PolarHBondContact O-N 3.41Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 2.73Å
138E87.9Confident87.4Confident25 Ų2528.5 Ų28.512%0.11713%0.13CC..THydrogen-bonded Turntrans49.649.2-170.9-56.8-55.6163.300112.6K44 P64 H140 C141 L172K44-E138 IonicContact NZ-OE1 3.65Å; K44-E138 PolarHBondContact NZ-OE1 2.74Å; K44-E138 IonicContact NZ-OE2 2.84Å; P64-E138 HydrophobicContact CG-CB 4.31Å; E138-H140 PolarHBondContact O-N 3.4Å; E138-H140 IonicContact OE2-CE1 3.54Å; E138-H140 PolarHBondContact OE2-CE1 2.95Å; E138-H140 IonicContact OE2-ND1 2.69Å; E138-H140 PolarHBondContact OE2-ND1 3.45Å; E138-C141 WeakPolarHBondContact O-CB 3.42Å; E138-C141 PolarHBondContact O-N 3.33Å; E138-L172 WeakPolarHBondContact CA-O 3.5Å; E138-L172 PolarHBondContact N-O 3.24Å
139A91.6Very high86.5Confident0 Ų022.1 Ų22.10%011%0.106CC..G310 helixtrans-57.6-15.7-17400000114.8V136 D137 C141 I142 A171 L172 I184V136-A139 HydrophobicContact CB-CB 4.47Å; V136-A139 HydrophobicContact CG1-CB 4.08Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 2.73Å; A139-C141 PolarHBondContact O-N 3.01Å; A139-I142 WeakPolarHBondContact O-CB 3.38Å; A139-I142 PolarHBondContact O-N 3.25Å; A139-I142 VanDerWaalsContact O-N 3.12Å; A139-A171 HydrophobicContact CB-CB 3.78Å; A139-L172 PolarHBondContact N-O 2.93Å; A139-I184 HydrophobicContact CB-CD1 4.14Å; A139-I184 HydrophobicContact CB-CG2 4.29Å; A139-I184 WeakPolarHBondContact O-CD1 3.38Å; A139-I184 WeakPolarHBondContact O-CG1 3.5Å
140H88.4Confident85.4Confident3 Ų325.9 Ų25.91%0.01412%0.12CC..G310 helixtrans-57.4-25.517160.8-104.2000113.1E138 I142 S143 H147 T173 T175 V180E138-H140 PolarHBondContact O-N 3.4Å; E138-H140 IonicContact OE2-CE1 3.54Å; E138-H140 PolarHBondContact OE2-CE1 2.95Å; E138-H140 IonicContact OE2-ND1 2.69Å; E138-H140 PolarHBondContact OE2-ND1 3.45Å; H140-I142 PolarHBondContact O-N 2.99Å; H140-S143 PolarHBondContact O-N 3.32Å; H140-H147 AromaticContact CD2-CE1 3.18Å; H140-H147 PolarHBondContact CD2-CE1 3.26Å; H140-H147 AromaticContact CD2-ND1 3.62Å; H140-H147 AromaticContact CD2-NE2 3.83Å; H140-H147 PolarHBondContact CD2-O 3.14Å; H140-H147 AromaticContact CE1-CE1 3.47Å; H140-H147 PolarHBondContact CE1-CE1 3.32Å; H140-H147 VanDerWaalsContact CE1-CE1 3.47Å; H140-H147 AromaticContact CE1-NE2 3.71Å; H140-H147 AromaticContact CG-CE1 3.4Å; H140-H147 VanDerWaalsContact CG-CE1 3.4Å; H140-H147 AromaticContact CG-ND1 3.96Å; H140-H147 AromaticContact ND1-CE1 3.59Å; H140-H147 AromaticContact NE2-CE1 3.24Å; H140-H147 PolarHBondContact NE2-CE1 3.38Å; H140-H147 AromaticContact NE2-NE2 3.43Å; H140-H147 PolarHBondContact NE2-NE2 2.92Å; H140-T173 WeakPolarHBondContact CB-OG1 3.39Å; H140-T173 PolarHBondContact ND1-OG1 3.32Å; H140-T175 PolarHBondContact ND1-OG1 3.29Å; H140-V180 HydrophobicContact CB-CG1 4.1Å
141C85.7Confident84.2Confident3 Ų327.5 Ų27.52%0.0213%0.131CC..G310 helixtrans-64.2-18.6177.1-69.90000113.8E138 A139 D148 F149 Y153E138-C141 WeakPolarHBondContact O-CB 3.42Å; E138-C141 PolarHBondContact O-N 3.33Å; A139-C141 PolarHBondContact O-N 3.01Å; C141-D148 PolarHBondContact SG-O 3.05Å; C141-D148 VanDerWaalsContact SG-O 3.41Å; C141-F149 WeakPolarHBondContact O-CD2 3.5Å; C141-Y153 HydrophobicContact CB-CD1 3.87Å; C141-Y153 HydrophobicContact CB-CD2 3.84Å; C141-Y153 HydrophobicContact CB-CE1 3.86Å; C141-Y153 HydrophobicContact CB-CE2 3.76Å; C141-Y153 HydrophobicContact CB-CG 3.84Å; C141-Y153 WeakPolarHBondContact O-CB 3.42Å
142I85Confident83Confident0 Ų027.7 Ų27.70%013%0.133CC..G310 helixtrans-70.5-33.8175.9-63173.1000111.6V136 A139 H140 Y153 L156 L187 L188V136-I142 HydrophobicContact CG1-CD1 3.74Å; V136-I142 HydrophobicContact CG1-CG1 4.44Å; V136-I142 HydrophobicContact CG2-CD1 4.49Å; A139-I142 WeakPolarHBondContact O-CB 3.38Å; A139-I142 PolarHBondContact O-N 3.25Å; A139-I142 VanDerWaalsContact O-N 3.12Å; H140-I142 PolarHBondContact O-N 2.99Å; I142-Y153 HydrophobicContact CD1-CD1 4.49Å; I142-Y153 HydrophobicContact CG1-CD1 3.55Å; I142-Y153 HydrophobicContact CG1-CE1 4.44Å; I142-Y153 HydrophobicContact CG1-CG 4.32Å; I142-L156 HydrophobicContact CD1-CD2 4.41Å; I142-L187 HydrophobicContact CG2-CB 4.12Å; I142-L187 HydrophobicContact CG2-CD1 3.5Å; I142-L187 HydrophobicContact CG2-CG 4.42Å; I142-L188 HydrophobicContact CD1-CD1 3.71Å; I142-L188 HydrophobicContact CD1-CD2 4.04Å; I142-L188 HydrophobicContact CD1-CG 4.07Å
143S83.9Confident82Confident0 Ų025.4 Ų25.40%012%0.122CC..  trans-85.8133-175.1-178.10000111.4H140 W145 G146 F149 D183H140-S143 PolarHBondContact O-N 3.32Å; S143-W145 PolarHBondContact O-N 3.46Å; S143-W145 PolarHBondContact OG-N 3.38Å; S143-G146 PolarHBondContact O-N 3.16Å; S143-F149 WeakPolarHBondContact O-CD2 3.27Å; S143-D183 VanDerWaalsContact CA-OD2 3.25Å; S143-D183 WeakPolarHBondContact CA-OD2 3.36Å; S143-D183 WeakPolarHBondContact CB-OD2 3.18Å; S143-D183 PolarHBondContact OG-OD2 3.45Å
144Q76.5Confident80.9Confident100 Ų10028.1 Ų28.147%0.46714%0.136SC..THydrogen-bonded Turntrans-64.2-21.9171.3-66.1-178.2-6.100112.7F149 L154Q144-F149 HydrophobicContact CB-CD2 4.49Å; Q144-F149 HydrophobicContact CG-CD2 4.15Å; Q144-F149 HydrophobicContact CG-CE1 4.17Å; Q144-F149 HydrophobicContact CG-CE2 3.71Å; Q144-F149 HydrophobicContact CG-CZ 3.72Å; Q144-L154 HydrophobicContact CG-CD1 4.04Å; Q144-L154 VanDerWaalsContact NE2-CD1 3.32Å
145W73Confident80.1Confident109 Ų10932.9 Ų32.941%0.41316%0.157SC..THydrogen-bonded Turntrans-82.2-20.7176.5-53.9102.6000111.9S143 Q179 V180 N355 K359S143-W145 PolarHBondContact O-N 3.46Å; S143-W145 PolarHBondContact OG-N 3.38Å; W145-Q179 HydrophobicContact CB-CG 4.48Å; W145-Q179 VanDerWaalsContact CD2-NE2 3.29Å; W145-Q179 HydrophobicContact CG-CG 4.23Å; W145-V180 HydrophobicContact CB-CG2 3.96Å; W145-N355 PolarHBondContact O-ND2 3.26Å; W145-K359 WeakPolarHBondContact O-CE 3.1Å; W145-K359 PolarHBondContact O-NZ 3.32Å
146G70.6Confident79.6Confident1 Ų133 Ų331%0.0116%0.158CC..SBendtrans-64.8148.5176.600000112.6S143 K359S143-G146 PolarHBondContact O-N 3.16Å; G146-K359 PolarHBondContact O-NZ 2.98Å
147H70.8Confident79Confident1 Ų133.3 Ų33.31%0.00516%0.16CC..THydrogen-bonded Turntrans-60.9153.915970-52.7000110.2H140 F149 T175 E309H140-H147 AromaticContact CD2-CE1 3.18Å; H140-H147 PolarHBondContact CD2-CE1 3.26Å; H140-H147 AromaticContact CD2-ND1 3.62Å; H140-H147 AromaticContact CD2-NE2 3.83Å; H140-H147 PolarHBondContact CD2-O 3.14Å; H140-H147 AromaticContact CE1-CE1 3.47Å; H140-H147 PolarHBondContact CE1-CE1 3.32Å; H140-H147 VanDerWaalsContact CE1-CE1 3.47Å; H140-H147 AromaticContact CE1-NE2 3.71Å; H140-H147 AromaticContact CG-CE1 3.4Å; H140-H147 VanDerWaalsContact CG-CE1 3.4Å; H140-H147 AromaticContact CG-ND1 3.96Å; H140-H147 AromaticContact ND1-CE1 3.59Å; H140-H147 AromaticContact NE2-CE1 3.24Å; H140-H147 PolarHBondContact NE2-CE1 3.38Å; H140-H147 AromaticContact NE2-NE2 3.43Å; H140-H147 PolarHBondContact NE2-NE2 2.92Å; H147-F149 PolarHBondContact O-N 3.42Å; H147-T175 VanDerWaalsContact CE1-CB 3.41Å; H147-T175 WeakPolarHBondContact CE1-CB 3.06Å; H147-T175 PolarHBondContact CE1-OG1 2.79Å; H147-T175 PolarHBondContact NE2-OG1 2.81Å; H147-E309 HydrophobicContact CB-CB 4.02Å; H147-E309 HydrophobicContact CB-CG 4.4Å; H147-E309 VanDerWaalsContact CG-CB 3.43Å
148D73.4Confident78.7Confident56 Ų5638.7 Ų38.730%0.29919%0.185SC..THydrogen-bonded Turntrans54.532.9-179.6-84.210.1000114.4C141 R150 M289C141-D148 PolarHBondContact SG-O 3.05Å; C141-D148 VanDerWaalsContact SG-O 3.41Å; D148-R150 PolarHBondContact O-N 3.37Å; D148-M289 WeakPolarHBondContact OD2-CE 3.07Å
149F71.9Confident78.7Confident45 Ų4538.1 Ų38.120%0.19718%0.183CC..  trans-54.1135.9172.3170.6-109.4000110.9C141 S143 Q144 H147 P151 L154 Y352C141-F149 WeakPolarHBondContact O-CD2 3.5Å; S143-F149 WeakPolarHBondContact O-CD2 3.27Å; Q144-F149 HydrophobicContact CB-CD2 4.49Å; Q144-F149 HydrophobicContact CG-CD2 4.15Å; Q144-F149 HydrophobicContact CG-CE1 4.17Å; Q144-F149 HydrophobicContact CG-CE2 3.71Å; Q144-F149 HydrophobicContact CG-CZ 3.72Å; H147-F149 PolarHBondContact O-N 3.42Å; F149-P151 HydrophobicContact CE1-CG 4.17Å; F149-L154 HydrophobicContact CE2-CB 4.37Å; F149-L154 HydrophobicContact CE2-CD1 4.29Å; F149-L154 HydrophobicContact CZ-CB 4.41Å; F149-L154 HydrophobicContact CZ-CD1 4.23Å; F149-Y352 HydrophobicContact CB-CE2 4.33Å
150R71.3Confident78.5Confident79 Ų7938.9 Ų38.930%0.29819%0.188SC..  trans-128.1125.8177.1-69.1-179.7-166.1-82.4-10.9109.5D148 S152 Y153D148-R150 PolarHBondContact O-N 3.37Å; R150-S152 PolarHBondContact O-N 3.23Å; R150-Y153 HydrophobicContact CB-CD2 3.76Å; R150-Y153 HydrophobicContact CB-CE2 4.42Å; R150-Y153 HydrophobicContact CG-CD2 4.5Å; R150-Y153 WeakPolarHBondContact O-CB 3.34Å; R150-Y153 PolarHBondContact O-N 2.97Å
151P70.8Confident78.3Confident97 Ų9741.5 Ų41.563%0.6321%0.209SC*.Hα-helixtrans-53.5-30.8177.7-28.835.3000114.4F149 Y153 L154F149-P151 HydrophobicContact CE1-CG 4.17Å; P151-Y153 PolarHBondContact O-N 3.2Å; P151-L154 PolarHBondContact O-N 3.2Å
152S70.4Confident78.3Confident11 Ų1146.9 Ų46.98%0.07724%0.238CC..Hα-helixtrans-61.6-29.2176.150.70000113.3E115 E118 R150 L156E115-S152 PolarHBondContact OE1-OG 2.99Å; E118-S152 WeakPolarHBondContact OE1-CA 3.46Å; E118-S152 WeakPolarHBondContact OE1-CB 3.26Å; R150-S152 PolarHBondContact O-N 3.23Å; S152-L156 PolarHBondContact O-N 3.35Å
153Y73.8Confident78.4Confident0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-79-21.4177.7-85.1-99.9000113.9I62 P64 P114 V136 C141 I142 R150 P151 L156I62-Y153 HydrophobicContact CG2-CE1 4.46Å; P64-Y153 WeakPolarHBondContact CA-OH 3.43Å; P64-Y153 HydrophobicContact CB-CE2 4.07Å; P64-Y153 VanDerWaalsContact CB-OH 3.26Å; P64-Y153 WeakPolarHBondContact CB-OH 3.21Å; P64-Y153 WeakPolarHBondContact CD-OH 3.35Å; P64-Y153 WeakPolarHBondContact CG-OH 3.43Å; P64-Y153 VanDerWaalsContact N-OH 3.15Å; P114-Y153 HydrophobicContact CB-CD2 4Å; P114-Y153 HydrophobicContact CB-CE2 3.93Å; P114-Y153 HydrophobicContact CB-CG 4.47Å; P114-Y153 HydrophobicContact CG-CD2 3.85Å; P114-Y153 HydrophobicContact CG-CE2 3.43Å; P114-Y153 VanDerWaalsContact CG-CE2 3.43Å; V136-Y153 HydrophobicContact CG1-CE1 4.18Å; C141-Y153 HydrophobicContact CB-CD1 3.87Å; C141-Y153 HydrophobicContact CB-CD2 3.84Å; C141-Y153 HydrophobicContact CB-CE1 3.86Å; C141-Y153 HydrophobicContact CB-CE2 3.76Å; C141-Y153 HydrophobicContact CB-CG 3.84Å; C141-Y153 WeakPolarHBondContact O-CB 3.42Å; I142-Y153 HydrophobicContact CD1-CD1 4.49Å; I142-Y153 HydrophobicContact CG1-CD1 3.55Å; I142-Y153 HydrophobicContact CG1-CE1 4.44Å; I142-Y153 HydrophobicContact CG1-CG 4.32Å; R150-Y153 HydrophobicContact CB-CD2 3.76Å; R150-Y153 HydrophobicContact CB-CE2 4.42Å; R150-Y153 HydrophobicContact CG-CD2 4.5Å; R150-Y153 WeakPolarHBondContact O-CB 3.34Å; R150-Y153 PolarHBondContact O-N 2.97Å; P151-Y153 PolarHBondContact O-N 3.2Å; Y153-L156 HydrophobicContact CD1-CD2 3.65Å; Y153-L156 HydrophobicContact CE1-CD2 4.01Å; Y153-L156 HydrophobicContact CG-CD2 4.45Å; Y153-L156 VanDerWaalsContact O-CB 3.22Å; Y153-L156 WeakPolarHBondContact O-CB 3.22Å; Y153-L156 PolarHBondContact O-N 3.48Å
154L73.1Confident78.3Confident56 Ų5653.1 Ų53.129%0.29327%0.27SS..Hα-helixtrans-69.3-42.6174.6-162.7131.4000110.4Q144 F149 P151 L156 A157Q144-L154 HydrophobicContact CG-CD1 4.04Å; Q144-L154 VanDerWaalsContact NE2-CD1 3.32Å; F149-L154 HydrophobicContact CE2-CB 4.37Å; F149-L154 HydrophobicContact CE2-CD1 4.29Å; F149-L154 HydrophobicContact CZ-CB 4.41Å; F149-L154 HydrophobicContact CZ-CD1 4.23Å; P151-L154 PolarHBondContact O-N 3.2Å; L154-L156 PolarHBondContact O-N 2.9Å; L154-A157 PolarHBondContact O-N 2.98Å
155K80.8Confident78.9Confident101 Ų10151.7 Ų51.744%0.43926%0.264SS..Hα-helixtrans-65.4-23.5170.4-68.9172.9173172.20113.1E118 E158 T159E118-K155 HydrophobicContact CG-CD 4.17Å; E118-K155 VanDerWaalsContact OE2-CD 3.26Å; E118-K155 WeakPolarHBondContact OE2-CD 2.81Å; E118-K155 IonicContact OE2-NZ 2.72Å; E118-K155 PolarHBondContact OE2-NZ 3.05Å; K155-E158 PolarHBondContact O-N 3.24Å; K155-T159 WeakPolarHBondContact O-CB 3.34Å; K155-T159 PolarHBondContact O-N 3.09Å; K155-T159 PolarHBondContact O-OG1 2.96Å
156L85.3Confident79.7Confident2 Ų254.4 Ų54.41%0.0128%0.281CS..Hα-helixtrans-62.9-43.5177.4178.669.2000110.8I62 L117 V136 I142 S152 Y153 L154 E158 T159 I160I62-L156 HydrophobicContact CD1-CD1 3.69Å; I62-L156 HydrophobicContact CD1-CD2 4.17Å; I62-L156 HydrophobicContact CD1-CG 4.38Å; I62-L156 HydrophobicContact CG1-CD1 4.32Å; I62-L156 HydrophobicContact CG2-CD1 4.32Å; I62-L156 HydrophobicContact CG2-CD2 3.81Å; L117-L156 HydrophobicContact CB-CD1 4.48Å; L117-L156 HydrophobicContact CD1-CD1 3.44Å; L117-L156 VanDerWaalsContact CD1-CD1 3.44Å; V136-L156 HydrophobicContact CG1-CD2 4.22Å; V136-L156 HydrophobicContact CG2-CD2 4.4Å; I142-L156 HydrophobicContact CD1-CD2 4.41Å; S152-L156 PolarHBondContact O-N 3.35Å; Y153-L156 HydrophobicContact CD1-CD2 3.65Å; Y153-L156 HydrophobicContact CE1-CD2 4.01Å; Y153-L156 HydrophobicContact CG-CD2 4.45Å; Y153-L156 VanDerWaalsContact O-CB 3.22Å; Y153-L156 WeakPolarHBondContact O-CB 3.22Å; Y153-L156 PolarHBondContact O-N 3.48Å; L154-L156 PolarHBondContact O-N 2.9Å; L156-E158 PolarHBondContact O-N 3.28Å; L156-T159 WeakPolarHBondContact O-CB 3.43Å; L156-T159 PolarHBondContact O-N 3.19Å; L156-T159 VanDerWaalsContact O-N 3.13Å; L156-I160 HydrophobicContact CD1-CD1 4.11Å; L156-I160 HydrophobicContact CD1-CG1 4.21Å; L156-I160 HydrophobicContact CD2-CD1 4.27Å; L156-I160 HydrophobicContact CG-CD1 3.73Å; L156-I160 HydrophobicContact CG-CG1 4.25Å; L156-I160 WeakPolarHBondContact O-CB 3.46Å; L156-I160 VanDerWaalsContact O-CG1 3.23Å; L156-I160 WeakPolarHBondContact O-CG1 3.39Å; L156-I160 PolarHBondContact O-N 3.18Å
157A83.6Confident80.9Confident7 Ų754.9 Ų54.96%0.05828%0.284CS..Hα-helixtrans-59.1-46.8176.900000111.5L154 T159 I160 A161 L187 L188L154-A157 PolarHBondContact O-N 2.98Å; A157-T159 VanDerWaalsContact C-N 3.29Å; A157-T159 PolarHBondContact O-N 2.99Å; A157-I160 PolarHBondContact O-N 2.77Å; A157-A161 WeakPolarHBondContact O-CB 3.28Å; A157-A161 PolarHBondContact O-N 2.83Å; A157-L187 HydrophobicContact CB-CB 3.99Å; A157-L187 HydrophobicContact CB-CD2 4.34Å; A157-L188 HydrophobicContact CB-CD2 4.41Å
158E85.1Confident82.1Confident116 Ų11655.3 Ų55.354%0.54229%0.287SS..Hα-helixtrans-60.4-40.3174-62.4178176.400111.8K155 L156 A161 N162K155-E158 PolarHBondContact O-N 3.24Å; L156-E158 PolarHBondContact O-N 3.28Å; E158-A161 PolarHBondContact O-N 3.2Å; E158-N162 PolarHBondContact O-N 3.35Å; E158-N162 PolarHBondContact O-ND2 3.05Å
159T86.7Confident83.2Confident13 Ų1353 Ų538%0.0827%0.274CS..Hα-helixtrans-66-45.8179.2-59.60000111L117 R123 K155 L156 A157 A161 N162 F163L117-T159 HydrophobicContact CB-CG2 4.45Å; R123-T159 HydrophobicContact CG-CG2 4.49Å; K155-T159 WeakPolarHBondContact O-CB 3.34Å; K155-T159 PolarHBondContact O-N 3.09Å; K155-T159 PolarHBondContact O-OG1 2.96Å; L156-T159 WeakPolarHBondContact O-CB 3.43Å; L156-T159 PolarHBondContact O-N 3.19Å; L156-T159 VanDerWaalsContact O-N 3.13Å; A157-T159 VanDerWaalsContact C-N 3.29Å; A157-T159 PolarHBondContact O-N 2.99Å; T159-A161 PolarHBondContact O-N 3.32Å; T159-N162 CarbonylContact O-C 3.59Å; T159-N162 PolarHBondContact O-N 3.4Å; T159-N162 VanDerWaalsContact O-N 3.14Å; T159-F163 HydrophobicContact CG2-CE2 4.05Å; T159-F163 VanDerWaalsContact O-CD2 3.28Å; T159-F163 WeakPolarHBondContact O-CD2 3.3Å; T159-F163 PolarHBondContact O-N 3.29Å
160I87.7Confident84.5Confident17 Ų1750.8 Ų50.89%0.08727%0.265CS..Hα-helixtrans-59-46.5177-68.7167.6000110.4I62 L134 V136 L156 A157 N162 F163 V169 L188I62-I160 HydrophobicContact CD1-CD1 4.42Å; L134-I160 HydrophobicContact CD1-CD1 4.42Å; L134-I160 HydrophobicContact CD1-CG1 3.83Å; L134-I160 HydrophobicContact CD1-CG2 4.45Å; L134-I160 HydrophobicContact CD2-CD1 3.59Å; L134-I160 HydrophobicContact CD2-CG1 3.95Å; V136-I160 HydrophobicContact CG2-CD1 3.98Å; L156-I160 HydrophobicContact CD1-CD1 4.11Å; L156-I160 HydrophobicContact CD1-CG1 4.21Å; L156-I160 HydrophobicContact CD2-CD1 4.27Å; L156-I160 HydrophobicContact CG-CD1 3.73Å; L156-I160 HydrophobicContact CG-CG1 4.25Å; L156-I160 WeakPolarHBondContact O-CB 3.46Å; L156-I160 VanDerWaalsContact O-CG1 3.23Å; L156-I160 WeakPolarHBondContact O-CG1 3.39Å; L156-I160 PolarHBondContact O-N 3.18Å; A157-I160 PolarHBondContact O-N 2.77Å; I160-N162 PolarHBondContact O-N 3.39Å; I160-F163 PolarHBondContact O-N 3.19Å; I160-F163 VanDerWaalsContact O-N 3.12Å; I160-V169 HydrophobicContact CG2-CG2 3.83Å; I160-L188 HydrophobicContact CD1-CD2 3.67Å
161A85.6Confident85.7Confident57 Ų5747 Ų4747%0.47125%0.251SS..Hα-helixtrans-61.1-25.8178.700000113.2A157 E158 T159A157-A161 WeakPolarHBondContact O-CB 3.28Å; A157-A161 PolarHBondContact O-N 2.83Å; E158-A161 PolarHBondContact O-N 3.2Å; T159-A161 PolarHBondContact O-N 3.32Å
162N85.7Confident86.8Confident117 Ų11742.4 Ų42.463%0.62622%0.221SC*.THydrogen-bonded Turntrans-96.57.9179.6-69.9-52.5000113.9E158 T159 I160 D164E158-N162 PolarHBondContact O-N 3.35Å; E158-N162 PolarHBondContact O-ND2 3.05Å; T159-N162 CarbonylContact O-C 3.59Å; T159-N162 PolarHBondContact O-N 3.4Å; T159-N162 VanDerWaalsContact O-N 3.14Å; I160-N162 PolarHBondContact O-N 3.39Å; N162-D164 PolarHBondContact O-N 3.21Å
163F85.5Confident87.9Confident21 Ų2141.9 Ų41.99%0.09222%0.217CC..  trans-69.3118.4172.2-95.6-99.3000110.7L60 L117 L126 I131 L134 T159 I160 Q165 Q166L60-F163 HydrophobicContact CD2-CZ 4.24Å; L117-F163 HydrophobicContact CD2-CZ 4.17Å; L126-F163 HydrophobicContact CD1-CE1 4.19Å; L126-F163 HydrophobicContact CD1-CZ 3.93Å; I131-F163 HydrophobicContact CD1-CD1 4.34Å; I131-F163 HydrophobicContact CD1-CE1 3.65Å; L134-F163 HydrophobicContact CD1-CE2 4.25Å; T159-F163 HydrophobicContact CG2-CE2 4.05Å; T159-F163 VanDerWaalsContact O-CD2 3.28Å; T159-F163 WeakPolarHBondContact O-CD2 3.3Å; T159-F163 PolarHBondContact O-N 3.29Å; I160-F163 PolarHBondContact O-N 3.19Å; I160-F163 VanDerWaalsContact O-N 3.12Å; F163-Q165 PolarHBondContact O-N 2.96Å; F163-Q165 VanDerWaalsContact O-N 3.16Å; F163-Q166 PolarHBondContact O-N 3.41Å; F163-Q166 VanDerWaalsContact O-N 3.12Å
164D83.5Confident88.6Confident109 Ų10941.9 Ų41.958%0.58322%0.217SC*.THydrogen-bonded Turntrans-57.5-32.5178.7-60.7-46.3000113.1R127 N162 Q166R127-D164 IonicContact CZ-OD2 3.03Å; R127-D164 IonicContact NE-OD2 3.12Å; R127-D164 PolarHBondContact NE-OD2 2.91Å; R127-D164 IonicContact NH2-OD1 2.75Å; R127-D164 IonicContact NH2-OD2 3.44Å; R127-D164 PolarHBondContact NH2-OD2 2.76Å; N162-D164 PolarHBondContact O-N 3.21Å; D164-Q166 VanDerWaalsContact C-N 3.34Å
165Q89.1Confident89.2Confident71 Ų7139.3 Ų39.333%0.33220%0.203SC..THydrogen-bonded Turntrans-78.8-13.9-176.9-61.1-178.561.500113.8L126 V129 F163L126-Q165 PolarHBondContact O-NE2 3.38Å; V129-Q165 PolarHBondContact O-NE2 2.59Å; V129-Q165 PolarHBondContact O-OE1 3.14Å; V129-Q165 VanDerWaalsContact O-OE1 3.12Å; F163-Q165 PolarHBondContact O-N 2.96Å; F163-Q165 VanDerWaalsContact O-N 3.16Å
166Q89.9Confident89.6Confident165 Ų16534.5 Ų34.577%0.77118%0.183SC*.  trans42.958.9-176.9-59.6-171.1-1.700114.2F163 D164F163-Q166 PolarHBondContact O-N 3.41Å; F163-Q166 VanDerWaalsContact O-N 3.12Å; D164-Q166 VanDerWaalsContact C-N 3.34Å
167P94.5Very high89.9Confident11 Ų1135.4 Ų35.47%0.07119%0.188CC..PPolyproline II helixtrans-62.7153.1179.129.2-35.7000111.3I131 L134 V169I131-P167 HydrophobicContact CG2-CB 3.9Å; I131-P167 HydrophobicContact CG2-CG 4.17Å; L134-P167 HydrophobicContact CB-CB 4.27Å; L134-P167 HydrophobicContact CB-CG 3.93Å; L134-P167 HydrophobicContact CD1-CG 4.29Å; P167-V169 PolarHBondContact O-N 2.9Å
168T96.6Very high90.2Very high11 Ų1137.7 Ų37.77%0.06720%0.203CC..EExtended strand (participates in β ladder)trans-61.9134.5169.7-57.50000109.4K31 Q32 E132 L133 L134K31-T168 WeakPolarHBondContact CA-OG1 3.21Å; K31-T168 VanDerWaalsContact CD-OG1 3.28Å; K31-T168 WeakPolarHBondContact CD-OG1 3.46Å; Q32-T168 WeakPolarHBondContact O-CG2 3.31Å; E132-T168 PolarHBondContact O-N 2.78Å; L133-T168 WeakPolarHBondContact CA-O 3.21Å; L133-T168 HydrophobicContact CD1-CG2 4.39Å; L133-T168 VanDerWaalsContact CD1-O 3.31Å; L133-T168 WeakPolarHBondContact CD1-O 3.19Å; L134-T168 PolarHBondContact N-O 2.88Å
169V97.1Very high90.4Very high6 Ų637 Ų374%0.03620%0.199CC..EExtended strand (participates in β ladder)trans-103.5128.8-178-178.40000110.5N33 V34 L134 I160 P167 L188N33-V169 CarbonylContact C-O 3.59Å; N33-V169 WeakPolarHBondContact CA-O 3.43Å; N33-V169 HydrophobicContact CB-CB 4.32Å; N33-V169 PolarHBondContact OD1-N 3.43Å; V34-V169 PolarHBondContact N-O 2.96Å; L134-V169 HydrophobicContact CD2-CG1 4.27Å; L134-V169 CarbonylContact O-C 3.56Å; L134-V169 WeakPolarHBondContact O-CA 3.26Å; I160-V169 HydrophobicContact CG2-CG2 3.83Å; P167-V169 PolarHBondContact O-N 2.9Å; V169-L188 HydrophobicContact CG1-CB 4.46Å; V169-L188 HydrophobicContact CG1-CD1 4.17Å
170I97.9Very high90.6Very high0 Ų036.4 Ų36.40%020%0.196CC..EExtended strand (participates in β ladder)trans-117.6119.4168-176.5-177.2000109.1I24 V28 V34 C47 L133 L134 A135 V136 L172I24-I170 HydrophobicContact CG2-CD1 3.51Å; I24-I170 HydrophobicContact CG2-CG1 4.28Å; V28-I170 HydrophobicContact CG2-CB 4.05Å; V28-I170 HydrophobicContact CG2-CD1 4.04Å; V28-I170 HydrophobicContact CG2-CG1 4.26Å; V34-I170 WeakPolarHBondContact O-CA 3.46Å; C47-I170 HydrophobicContact CB-CD1 3.7Å; L133-I170 HydrophobicContact CD1-CB 4.28Å; L133-I170 HydrophobicContact CD1-CG2 3.69Å; L133-I170 HydrophobicContact CD2-CG2 4.44Å; L133-I170 HydrophobicContact CG-CG2 4.21Å; L134-I170 PolarHBondContact O-N 2.85Å; A135-I170 CarbonylContact C-O 3.58Å; A135-I170 WeakPolarHBondContact CA-O 3.26Å; A135-I170 HydrophobicContact CB-CG2 3.54Å; V136-I170 PolarHBondContact N-O 2.87Å; I170-L172 HydrophobicContact CD1-CD1 3.87Å; I170-L172 HydrophobicContact CD1-CD2 4.1Å; I170-L172 HydrophobicContact CD1-CG 4.01Å; I170-L172 HydrophobicContact CG1-CD1 4.27Å; I170-L172 HydrophobicContact CG1-CD2 4.33Å; I170-L172 HydrophobicContact CG1-CG 4.01Å
171A96.5Very high90.9Very high0 Ų035.6 Ų35.60%019%0.192CC..EExtended strand (participates in β ladder)trans-104.6126.4175.200000109.5V34 L35 G36 A139 I184 L188 I190V34-A171 PolarHBondContact O-N 2.72Å; L35-A171 CarbonylContact C-O 3.52Å; L35-A171 WeakPolarHBondContact CA-O 3.41Å; L35-A171 HydrophobicContact CD1-CB 3.91Å; G36-A171 PolarHBondContact N-O 3.22Å; A139-A171 HydrophobicContact CB-CB 3.78Å; A171-I184 HydrophobicContact CB-CG2 3.97Å; A171-L188 HydrophobicContact CB-CD1 3.65Å; A171-I190 HydrophobicContact CB-CD1 3.86Å
172L95.5Very high91.3Very high0 Ų036.3 Ų36.30%019%0.188CC..EExtended strand (participates in β ladder)trans-125.9133.3-176.6-68.7162.6000111.3G36 M38 K44 C47 Y48 V136 E138 A139 I170G36-L172 WeakPolarHBondContact O-CA 3.39Å; M38-L172 HydrophobicContact SD-CD2 4.26Å; K44-L172 HydrophobicContact CB-CB 4.31Å; K44-L172 HydrophobicContact CB-CD1 4.24Å; K44-L172 HydrophobicContact CB-CD2 4.45Å; K44-L172 HydrophobicContact CD-CB 4.28Å; K44-L172 WeakPolarHBondContact O-CD1 3.47Å; C47-L172 HydrophobicContact CB-CD1 4.17Å; C47-L172 HydrophobicContact CB-CD2 4.2Å; Y48-L172 HydrophobicContact CD1-CD1 3.49Å; Y48-L172 VanDerWaalsContact CD1-CD1 3.49Å; Y48-L172 HydrophobicContact CE1-CD1 3.89Å; V136-L172 PolarHBondContact O-N 3.35Å; E138-L172 WeakPolarHBondContact CA-O 3.5Å; E138-L172 PolarHBondContact N-O 3.24Å; A139-L172 PolarHBondContact N-O 2.93Å; I170-L172 HydrophobicContact CD1-CD1 3.87Å; I170-L172 HydrophobicContact CD1-CD2 4.1Å; I170-L172 HydrophobicContact CD1-CG 4.01Å; I170-L172 HydrophobicContact CG1-CD1 4.27Å; I170-L172 HydrophobicContact CG1-CD2 4.33Å; I170-L172 HydrophobicContact CG1-CG 4.01Å
173T92.8Very high91.6Very high0 Ų032.5 Ų32.50%017%0.167CC..EExtended strand (participates in β ladder)trans-154.4156179.3-177.60000111.1L35 G36 I37 M38 H140 T175 A176 I184L35-T173 HydrophobicContact CD1-CG2 4.38Å; G36-T173 PolarHBondContact O-N 3.25Å; G36-T173 VanDerWaalsContact O-N 3.11Å; I37-T173 WeakPolarHBondContact CA-O 3.42Å; I37-T173 HydrophobicContact CG1-CG2 4.06Å; M38-T173 PolarHBondContact N-O 3.31Å; H140-T173 WeakPolarHBondContact CB-OG1 3.39Å; H140-T173 PolarHBondContact ND1-OG1 3.32Å; T173-T175 PolarHBondContact OG1-N 2.9Å; T173-A176 HydrophobicContact CG2-CB 3.48Å; T173-A176 VanDerWaalsContact CG2-CB 3.48Å; T173-I184 HydrophobicContact CG2-CD1 4.36Å
174A88.2Confident92Very high0 Ų031.5 Ų31.50%016%0.163CC..SBendtrans-108.7-5.1177.600000115M38 F200M38-A174 WeakPolarHBondContact O-CA 3.45Å; M38-A174 WeakPolarHBondContact O-CB 3.45Å; A174-F200 WeakPolarHBondContact O-CD1 3.44Å; A174-F200 VanDerWaalsContact O-CE1 3.31Å; A174-F200 WeakPolarHBondContact O-CE1 3.36Å
175T86.2Confident92.5Very high1 Ų126.6 Ų26.61%0.00614%0.137CC..  trans-14423.5-160.535.60000111.2H140 H147 T173 T177 E309 Y312 Q313 F381H140-T175 PolarHBondContact ND1-OG1 3.29Å; H147-T175 VanDerWaalsContact CE1-CB 3.41Å; H147-T175 WeakPolarHBondContact CE1-CB 3.06Å; H147-T175 PolarHBondContact CE1-OG1 2.79Å; H147-T175 PolarHBondContact NE2-OG1 2.81Å; T173-T175 PolarHBondContact OG1-N 2.9Å; T175-T177 PolarHBondContact O-N 2.88Å; T175-E309 HydrophobicContact CG2-CB 4.14Å; T175-Y312 HydrophobicContact CG2-CD1 3.94Å; T175-Q313 HydrophobicContact CG2-CB 4.4Å; T175-F381 HydrophobicContact CG2-CE1 4.38Å; T175-F381 HydrophobicContact CG2-CZ 4.09Å
176A89.6Confident92.7Very high1 Ų128.7 Ų28.71%0.00815%0.151CC..  trans-79.6114.3172.500000110.7I37 T173 V180 A181 I184I37-A176 HydrophobicContact CD1-CB 4.22Å; I37-A176 HydrophobicContact CG1-CB 4.39Å; T173-A176 HydrophobicContact CG2-CB 3.48Å; T173-A176 VanDerWaalsContact CG2-CB 3.48Å; A176-V180 HydrophobicContact CB-CB 4.21Å; A176-V180 HydrophobicContact CB-CG1 3.82Å; A176-A181 HydrophobicContact CB-CB 4.35Å; A176-I184 HydrophobicContact CB-CD1 4.39Å
177T90.1Very high92.8Very high20 Ų2023.5 Ų23.512%0.12313%0.128CC..  trans-65.7165.2162.763.40000110.1T175 Q179 V180 A181 Y380 F381T175-T177 PolarHBondContact O-N 2.88Å; T177-Q179 VanDerWaalsContact C-N 3.27Å; T177-Q179 PolarHBondContact O-N 2.97Å; T177-V180 PolarHBondContact O-N 2.93Å; T177-V180 WeakPolarHBondContact OG1-CG2 3.19Å; T177-A181 PolarHBondContact O-N 3.18Å; T177-Y380 HydrophobicContact CG2-CD1 4.35Å; T177-Y380 HydrophobicContact CG2-CE1 3.73Å; T177-F381 HydrophobicContact CG2-CD1 4.2Å; T177-F381 HydrophobicContact CG2-CE1 4.46Å
178P90.2Very high92.8Very high55 Ų5523.2 Ų23.236%0.35713%0.125SC..Hα-helixtrans-52.5-43.1179.5-29.636.8000113.7V180 A181 D182P178-V180 PolarHBondContact O-N 3.49Å; P178-A181 PolarHBondContact O-N 3.5Å; P178-D182 PolarHBondContact O-N 3.03Å
179Q90.1Very high92.6Very high102 Ų10229.2 Ų29.248%0.47715%0.152SC..Hα-helixtrans-63.3-41.5177.3-174.6176.99.600112.4W145 T177 D183W145-Q179 HydrophobicContact CB-CG 4.48Å; W145-Q179 VanDerWaalsContact CD2-NE2 3.29Å; W145-Q179 HydrophobicContact CG-CG 4.23Å; T177-Q179 VanDerWaalsContact C-N 3.27Å; T177-Q179 PolarHBondContact O-N 2.97Å; Q179-D183 WeakPolarHBondContact O-CB 3.33Å; Q179-D183 PolarHBondContact O-N 2.98Å
180V90.7Very high92.5Very high1 Ų129.4 Ų29.41%0.00615%0.153CC..Hα-helixtrans-68.2-39.2177.4171.60000110.9H140 W145 A176 T177 P178 D183 I184H140-V180 HydrophobicContact CB-CG1 4.1Å; W145-V180 HydrophobicContact CB-CG2 3.96Å; A176-V180 HydrophobicContact CB-CB 4.21Å; A176-V180 HydrophobicContact CB-CG1 3.82Å; T177-V180 PolarHBondContact O-N 2.93Å; T177-V180 WeakPolarHBondContact OG1-CG2 3.19Å; P178-V180 PolarHBondContact O-N 3.49Å; V180-D183 PolarHBondContact O-N 3.49Å; V180-I184 HydrophobicContact CG1-CD1 3.79Å; V180-I184 HydrophobicContact CG1-CG1 4.34Å; V180-I184 WeakPolarHBondContact O-CD1 3.42Å; V180-I184 WeakPolarHBondContact O-CG1 3.4Å; V180-I184 PolarHBondContact O-N 2.98Å
181A93.8Very high92.3Very high0 Ų031.8 Ų31.80%017%0.17CC..Hα-helixtrans-63-43176.800000112.2L35 I37 A176 T177 P178 S185L35-A181 HydrophobicContact CD2-CB 4.1Å; L35-A181 WeakPolarHBondContact CD2-O 3.4Å; I37-A181 HydrophobicContact CD1-CB 3.62Å; A176-A181 HydrophobicContact CB-CB 4.35Å; T177-A181 PolarHBondContact O-N 3.18Å; P178-A181 PolarHBondContact O-N 3.5Å; A181-S185 WeakPolarHBondContact O-CB 3.37Å; A181-S185 PolarHBondContact O-N 3.39Å; A181-S185 PolarHBondContact O-OG 3.21Å
182D94Very high92.2Very high72 Ų7237.1 Ų37.139%0.38519%0.193SC..Hα-helixtrans-64.4-42.3175.8-70.2-24.3000111.2P178 S185 N186 K192P178-D182 PolarHBondContact O-N 3.03Å; D182-S185 PolarHBondContact O-N 3.12Å; D182-N186 WeakPolarHBondContact O-CB 3.4Å; D182-N186 PolarHBondContact O-N 3.32Å; D182-N186 PolarHBondContact O-ND2 2.94Å; D182-N186 VanDerWaalsContact O-ND2 3.09Å; D182-K192 IonicContact OD1-NZ 2.81Å; D182-K192 PolarHBondContact OD1-NZ 2.84Å
183D92.3Very high92.1Very high37 Ų3743.9 Ų43.920%0.19823%0.225CC..Hα-helixtrans-63.7-46.7178.1-165.129.7000112.2S143 Q179 V180 S185 N186 L187S143-D183 VanDerWaalsContact CA-OD2 3.25Å; S143-D183 WeakPolarHBondContact CA-OD2 3.36Å; S143-D183 WeakPolarHBondContact CB-OD2 3.18Å; S143-D183 PolarHBondContact OG-OD2 3.45Å; Q179-D183 WeakPolarHBondContact O-CB 3.33Å; Q179-D183 PolarHBondContact O-N 2.98Å; V180-D183 PolarHBondContact O-N 3.49Å; D183-S185 VanDerWaalsContact C-N 3.31Å; D183-S185 PolarHBondContact O-N 3.32Å; D183-N186 PolarHBondContact O-N 2.9Å; D183-L187 WeakPolarHBondContact O-CB 3.25Å; D183-L187 VanDerWaalsContact O-CG 3.32Å; D183-L187 WeakPolarHBondContact O-CG 3.39Å; D183-L187 PolarHBondContact O-N 3.3Å
184I93.2Very high92.3Very high0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-58.5-45.4174.1-65.7163000110.7L35 A139 A171 T173 A176 V180 N186 L187 L188L35-I184 HydrophobicContact CD1-CD1 4.49Å; L35-I184 HydrophobicContact CD1-CG2 3.95Å; L35-I184 HydrophobicContact CD2-CB 4.45Å; L35-I184 HydrophobicContact CD2-CG2 4.4Å; A139-I184 HydrophobicContact CB-CD1 4.14Å; A139-I184 HydrophobicContact CB-CG2 4.29Å; A139-I184 WeakPolarHBondContact O-CD1 3.38Å; A139-I184 WeakPolarHBondContact O-CG1 3.5Å; A171-I184 HydrophobicContact CB-CG2 3.97Å; T173-I184 HydrophobicContact CG2-CD1 4.36Å; A176-I184 HydrophobicContact CB-CD1 4.39Å; V180-I184 HydrophobicContact CG1-CD1 3.79Å; V180-I184 HydrophobicContact CG1-CG1 4.34Å; V180-I184 WeakPolarHBondContact O-CD1 3.42Å; V180-I184 WeakPolarHBondContact O-CG1 3.4Å; V180-I184 PolarHBondContact O-N 2.98Å; I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 2.95Å; I184-L187 PolarHBondContact O-N 3.31Å; I184-L188 HydrophobicContact CG2-CD1 3.9Å; I184-L188 HydrophobicContact CG2-CG 4.49Å; I184-L188 WeakPolarHBondContact O-CB 3.39Å; I184-L188 PolarHBondContact O-N 3.02Å
185S95.1Very high92.7Very high6 Ų645.6 Ų45.64%0.04223%0.233CC..Hα-helixtrans-63-40.9-178-61.40000111.7L35 A181 D182 D183 H189 I190L35-S185 VanDerWaalsContact CD2-OG 3.31Å; L35-S185 WeakPolarHBondContact CD2-OG 3.24Å; A181-S185 WeakPolarHBondContact O-CB 3.37Å; A181-S185 PolarHBondContact O-N 3.39Å; A181-S185 PolarHBondContact O-OG 3.21Å; D182-S185 PolarHBondContact O-N 3.12Å; D183-S185 VanDerWaalsContact C-N 3.31Å; D183-S185 PolarHBondContact O-N 3.32Å; S185-H189 WeakPolarHBondContact O-CA 3.37Å; S185-H189 PolarHBondContact O-N 2.81Å; S185-I190 PolarHBondContact O-N 3.47Å
186N93.5Very high93.1Very high115 Ų11546 Ų4662%0.61524%0.235SC*.Hα-helixtrans-66.3-48.6176.1-69.3-31.5000111.7D182 D183 I184 L188 H189D182-N186 WeakPolarHBondContact O-CB 3.4Å; D182-N186 PolarHBondContact O-N 3.32Å; D182-N186 PolarHBondContact O-ND2 2.94Å; D182-N186 VanDerWaalsContact O-ND2 3.09Å; D183-N186 PolarHBondContact O-N 2.9Å; I184-N186 VanDerWaalsContact C-N 3.32Å; I184-N186 PolarHBondContact O-N 2.95Å; N186-L188 VanDerWaalsContact C-N 3.32Å; N186-L188 PolarHBondContact O-N 3.37Å; N186-H189 PolarHBondContact O-CD2 3.22Å; N186-H189 PolarHBondContact O-N 3.13Å
187L91.9Very high93.2Very high55 Ų5550.1 Ų50.129%0.28825%0.253SS..Hα-helixtrans-66.5-31.6-176.6-72.6169.1000113.2I142 A157 D183 I184I142-L187 HydrophobicContact CG2-CB 4.12Å; I142-L187 HydrophobicContact CG2-CD1 3.5Å; I142-L187 HydrophobicContact CG2-CG 4.42Å; A157-L187 HydrophobicContact CB-CB 3.99Å; A157-L187 HydrophobicContact CB-CD2 4.34Å; D183-L187 WeakPolarHBondContact O-CB 3.25Å; D183-L187 VanDerWaalsContact O-CG 3.32Å; D183-L187 WeakPolarHBondContact O-CG 3.39Å; D183-L187 PolarHBondContact O-N 3.3Å; I184-L187 PolarHBondContact O-N 3.31Å
188L93.1Very high93Very high5 Ų550.3 Ų50.33%0.02625%0.254CS..THydrogen-bonded Turntrans-103.28.3-179.7-61.5-178.2000114V136 I142 A157 I160 V169 A171 I184 N186 I190V136-L188 HydrophobicContact CG2-CD1 4.29Å; I142-L188 HydrophobicContact CD1-CD1 3.71Å; I142-L188 HydrophobicContact CD1-CD2 4.04Å; I142-L188 HydrophobicContact CD1-CG 4.07Å; A157-L188 HydrophobicContact CB-CD2 4.41Å; I160-L188 HydrophobicContact CD1-CD2 3.67Å; V169-L188 HydrophobicContact CG1-CB 4.46Å; V169-L188 HydrophobicContact CG1-CD1 4.17Å; A171-L188 HydrophobicContact CB-CD1 3.65Å; I184-L188 HydrophobicContact CG2-CD1 3.9Å; I184-L188 HydrophobicContact CG2-CG 4.49Å; I184-L188 WeakPolarHBondContact O-CB 3.39Å; I184-L188 PolarHBondContact O-N 3.02Å; N186-L188 VanDerWaalsContact C-N 3.32Å; N186-L188 PolarHBondContact O-N 3.37Å; L188-I190 VanDerWaalsContact C-N 3.34Å; L188-I190 HydrophobicContact CB-CD1 3.82Å; L188-I190 HydrophobicContact CB-CG1 4.02Å; L188-I190 HydrophobicContact CD1-CD1 4.21Å; L188-I190 PolarHBondContact O-N 3.21Å
189H92.7Very high92.5Very high137 Ų13748.5 Ų48.563%0.63425%0.246SC*.THydrogen-bonded Turntrans50.750.1-177.6-52.2134.8000113N33 S185 N186N33-H189 PolarHBondContact ND2-O 2.67Å; S185-H189 WeakPolarHBondContact O-CA 3.37Å; S185-H189 PolarHBondContact O-N 2.81Å; N186-H189 PolarHBondContact O-CD2 3.22Å; N186-H189 PolarHBondContact O-N 3.13Å
190I95.7Very high92.1Very high10 Ų1043.8 Ų43.85%0.05122%0.224CC..  trans-97.3122176.4-60.8165.9000108.1N33 L35 A171 S185 L188 N194N33-I190 HydrophobicContact CB-CG1 3.91Å; L35-I190 HydrophobicContact CB-CD1 3.96Å; L35-I190 HydrophobicContact CB-CG2 4.01Å; A171-I190 HydrophobicContact CB-CD1 3.86Å; S185-I190 PolarHBondContact O-N 3.47Å; L188-I190 VanDerWaalsContact C-N 3.34Å; L188-I190 HydrophobicContact CB-CD1 3.82Å; L188-I190 HydrophobicContact CB-CG1 4.02Å; L188-I190 HydrophobicContact CD1-CD1 4.21Å; L188-I190 PolarHBondContact O-N 3.21Å; I190-N194 HydrophobicContact CG2-CB 4.12Å
191S94.2Very high91.7Very high50 Ų5045.7 Ų45.735%0.3524%0.239SC..  trans-64143.5174.2-177.90000110.5E193 N194S191-E193 WeakPolarHBondContact CB-OE1 3.26Å; S191-E193 PolarHBondContact O-N 3.42Å; S191-E193 VanDerWaalsContact O-N 3.13Å; S191-E193 VanDerWaalsContact OG-CG 3.31Å; S191-E193 WeakPolarHBondContact OG-CG 3.35Å; S191-E193 PolarHBondContact OG-OE1 3.34Å; S191-N194 WeakPolarHBondContact O-CA 3.23Å; S191-N194 WeakPolarHBondContact O-CB 3.43Å; S191-N194 PolarHBondContact O-N 3.14Å
192K92.8Very high91.3Very high112 Ų11246.5 Ų46.549%0.48724%0.242SC..G310 helixtrans-59.5-27.3-179.9-16466175.5-1780112.7D182 N194 E195D182-K192 IonicContact OD1-NZ 2.81Å; D182-K192 PolarHBondContact OD1-NZ 2.84Å; K192-N194 PolarHBondContact O-N 3.33Å; K192-E195 WeakPolarHBondContact CD-OE2 3.34Å; K192-E195 WeakPolarHBondContact CE-OE2 3.44Å; K192-E195 VanDerWaalsContact NZ-CD 3.29Å; K192-E195 IonicContact NZ-OE1 2.67Å; K192-E195 PolarHBondContact NZ-OE1 3.05Å; K192-E195 IonicContact NZ-OE2 2.82Å; K192-E195 PolarHBondContact NZ-OE2 2.86Å; K192-E195 WeakPolarHBondContact O-CB 3.08Å; K192-E195 PolarHBondContact O-N 3.07Å
193E94.3Very high90.8Very high143 Ų14351.5 Ų51.567%0.66826%0.263SS*.G310 helixtrans-70.5-9.817573.9-150.814500114K27 S191K27-E193 WeakPolarHBondContact CE-O 3.46Å; K27-E193 PolarHBondContact NZ-O 3Å; S191-E193 WeakPolarHBondContact CB-OE1 3.26Å; S191-E193 PolarHBondContact O-N 3.42Å; S191-E193 VanDerWaalsContact O-N 3.13Å; S191-E193 VanDerWaalsContact OG-CG 3.31Å; S191-E193 WeakPolarHBondContact OG-CG 3.35Å; S191-E193 PolarHBondContact OG-OE1 3.34Å
194N96.4Very high90.5Very high10 Ų1051.1 Ų51.15%0.05326%0.261CS..G310 helixtrans-108.911.6175.2-59.8-22.3000112.5K27 Q32 N33 V34 L35 I190 S191 K192 I196K27-N194 HydrophobicContact CD-CB 4.17Å; K27-N194 PolarHBondContact NZ-OD1 3.31Å; Q32-N194 PolarHBondContact OE1-OD1 2.89Å; N33-N194 WeakPolarHBondContact O-CB 3.49Å; N33-N194 PolarHBondContact O-ND2 3.25Å; V34-N194 WeakPolarHBondContact CG1-O 3.34Å; V34-N194 HydrophobicContact CG2-CB 4.45Å; L35-N194 PolarHBondContact N-O 3.4Å; I190-N194 HydrophobicContact CG2-CB 4.12Å; S191-N194 WeakPolarHBondContact O-CA 3.23Å; S191-N194 WeakPolarHBondContact O-CB 3.43Å; S191-N194 PolarHBondContact O-N 3.14Å; K192-N194 PolarHBondContact O-N 3.33Å; N194-I196 PolarHBondContact O-N 2.77Å
195E95.9Very high90.4Very high25 Ų2551.1 Ų51.112%0.11726%0.261CS..EExtended strand (participates in β ladder)trans-83.8107168-177.5177.6123.500109.3L35 I37 K192 K197L35-E195 HydrophobicContact CD2-CG 4.2Å; L35-E195 HydrophobicContact CG-CG 4.43Å; L35-E195 CarbonylContact O-C 3.45Å; L35-E195 WeakPolarHBondContact O-CA 3.28Å; I37-E195 HydrophobicContact CD1-CG 4.32Å; K192-E195 WeakPolarHBondContact CD-OE2 3.34Å; K192-E195 WeakPolarHBondContact CE-OE2 3.44Å; K192-E195 VanDerWaalsContact NZ-CD 3.29Å; K192-E195 IonicContact NZ-OE1 2.67Å; K192-E195 PolarHBondContact NZ-OE1 3.05Å; K192-E195 IonicContact NZ-OE2 2.82Å; K192-E195 PolarHBondContact NZ-OE2 2.86Å; K192-E195 WeakPolarHBondContact O-CB 3.08Å; K192-E195 PolarHBondContact O-N 3.07Å; E195-K197 HydrophobicContact CG-CG 4.4Å; E195-K197 WeakPolarHBondContact OE1-CE 3.48Å; E195-K197 IonicContact OE1-NZ 2.74Å; E195-K197 PolarHBondContact OE1-NZ 2.73Å
196I94.7Very high90.4Very high10 Ų1051.7 Ų51.75%0.05127%0.266CS..EExtended strand (participates in β ladder)trans-102.4109.4178.8-53.1-50000109E23 I24 K27 V34 L35 I37 N194 T198E23-I196 HydrophobicContact CG-CD1 3.82Å; E23-I196 HydrophobicContact CG-CG1 4.16Å; E23-I196 WeakPolarHBondContact OE1-CD1 3.22Å; I24-I196 HydrophobicContact CD1-CB 4.29Å; I24-I196 HydrophobicContact CD1-CG2 4.29Å; I24-I196 HydrophobicContact CG1-CB 3.79Å; I24-I196 HydrophobicContact CG1-CG1 3.95Å; I24-I196 HydrophobicContact CG1-CG2 3.96Å; K27-I196 HydrophobicContact CD-CD1 4.18Å; K27-I196 HydrophobicContact CD-CG1 4.33Å; V34-I196 HydrophobicContact CG1-CG1 4.35Å; L35-I196 PolarHBondContact O-N 3.02Å; I37-I196 PolarHBondContact N-O 2.85Å; N194-I196 PolarHBondContact O-N 2.77Å; I196-T198 HydrophobicContact CG2-CG2 4.16Å
197K91.6Very high90.5Very high88 Ų8846.3 Ų46.338%0.38324%0.237SC..EExtended strand (participates in β ladder)trans-102.5125.5173-70.8177.7173.4155.60109.7I37 E195I37-K197 HydrophobicContact CB-CG 4.08Å; I37-K197 HydrophobicContact CD1-CD 4.45Å; I37-K197 HydrophobicContact CD1-CG 3.99Å; E195-K197 HydrophobicContact CG-CG 4.4Å; E195-K197 WeakPolarHBondContact OE1-CE 3.48Å; E195-K197 IonicContact OE1-NZ 2.74Å; E195-K197 PolarHBondContact OE1-NZ 2.73Å
198T85.8Confident90.6Very high23 Ų2345.7 Ų45.714%0.14123%0.233CC..  trans-106.95.1-174.5560000114.3N19 G20 I37 M38 P39 I196N19-T198 PolarHBondContact ND2-O 2.98Å; N19-T198 WeakPolarHBondContact O-CG2 3.38Å; G20-T198 VanDerWaalsContact CA-CG2 3.45Å; I37-T198 PolarHBondContact O-N 3.1Å; I37-T198 VanDerWaalsContact O-N 3.15Å; I37-T198 PolarHBondContact O-OG1 2.76Å; M38-T198 WeakPolarHBondContact CA-OG1 2.99Å; M38-T198 HydrophobicContact CG-CG2 4.38Å; P39-T198 WeakPolarHBondContact CD-OG1 3.36Å; I196-T198 HydrophobicContact CG2-CG2 4.16Å
199G80.9Confident90.7Very high18 Ų1846.5 Ų46.519%0.18624%0.238CC..  trans100.9149.9-16900000112.2P39 E383P39-G199 VanDerWaalsContact CD-O 3.26Å; P39-G199 WeakPolarHBondContact CD-O 3.19Å; G199-E383 WeakPolarHBondContact CA-OE1 3.15Å; G199-E383 WeakPolarHBondContact CA-OE2 3.33Å; G199-E383 PolarHBondContact N-OE1 3.04Å
200F81.7Confident90.5Very high3 Ų341.1 Ų41.11%0.01322%0.215CC..SBendtrans-102.34.4163.2-60.1-93.2000112.2I37 A174 Y312 L378 F381 E383I37-F200 HydrophobicContact CG2-CE1 3.6Å; I37-F200 HydrophobicContact CG2-CE2 4.14Å; I37-F200 HydrophobicContact CG2-CZ 3.26Å; A174-F200 WeakPolarHBondContact O-CD1 3.44Å; A174-F200 VanDerWaalsContact O-CE1 3.31Å; A174-F200 WeakPolarHBondContact O-CE1 3.36Å; F200-Y312 HydrophobicContact CD1-CE1 4.27Å; F200-Y312 PolarHBondContact O-OH 2.96Å; F200-L378 HydrophobicContact CB-CD2 3.53Å; F200-F381 HydrophobicContact CB-CD2 4.27Å; F200-F381 HydrophobicContact CD1-CB 4.05Å; F200-F381 HydrophobicContact CD1-CD1 4.34Å; F200-F381 AromaticContact CD1-CD2 3.93Å; F200-F381 HydrophobicContact CD1-CD2 3.93Å; F200-F381 HydrophobicContact CD1-CE2 4.48Å; F200-F381 AromaticContact CD1-CG 3.86Å; F200-F381 HydrophobicContact CD1-CG 3.86Å; F200-F381 HydrophobicContact CD2-CB 3.49Å; F200-F381 VanDerWaalsContact CD2-CB 3.49Å; F200-F381 HydrophobicContact CD2-CG 4.21Å; F200-F381 HydrophobicContact CE1-CB 3.98Å; F200-F381 AromaticContact CE1-CD1 3.96Å; F200-F381 HydrophobicContact CE1-CD1 3.96Å; F200-F381 HydrophobicContact CE1-CD2 4.37Å; F200-F381 AromaticContact CE1-CG 3.86Å; F200-F381 HydrophobicContact CE1-CG 3.86Å; F200-F381 HydrophobicContact CE2-CB 3.46Å; F200-F381 VanDerWaalsContact CE2-CB 3.46Å; F200-F381 HydrophobicContact CE2-CG 4.26Å; F200-F381 HydrophobicContact CG-CB 3.81Å; F200-F381 HydrophobicContact CG-CD2 4.03Å; F200-F381 HydrophobicContact CG-CG 4.03Å; F200-F381 HydrophobicContact CZ-CB 3.67Å; F200-F381 HydrophobicContact CZ-CD1 4.2Å; F200-F381 HydrophobicContact CZ-CG 4.05Å; F200-E383 VanDerWaalsContact CD2-CD 3.42Å; F200-E383 HydrophobicContact CD2-CG 4.02Å; F200-E383 VanDerWaalsContact CD2-OE1 3.23Å; F200-E383 WeakPolarHBondContact CD2-OE1 3.46Å; F200-E383 HydrophobicContact CE2-CG 4.39Å; F200-E383 PolarHBondContact N-OE1 3.5Å; F200-E383 PolarHBondContact N-OE2 3.35Å
201A83.2Confident89.9Confident40 Ų4045.2 Ų45.233%0.33123%0.232SC..  trans-72.5139.3-178.200000112L378A201-L378 HydrophobicContact CB-CD1 4.29Å; A201-L378 HydrophobicContact CB-CD2 4.3Å
202R83.4Confident89Confident18 Ų1848.9 Ų48.97%0.06825%0.248CC..  trans-120.392.7173.3-73.1-71.1-59.4-85.1-11.8109.1T40 N204 L205 G316 A318 G319 Q374 K390T40-R202 PolarHBondContact O-NH1 2.64Å; R202-N204 PolarHBondContact NE-OD1 2.99Å; R202-N204 PolarHBondContact NH2-OD1 2.92Å; R202-N204 PolarHBondContact O-N 3.48Å; R202-N204 VanDerWaalsContact O-N 3.15Å; R202-L205 HydrophobicContact CB-CB 3.81Å; R202-L205 PolarHBondContact O-N 3.27Å; R202-L205 VanDerWaalsContact O-N 3.1Å; R202-G316 PolarHBondContact NH1-O 3Å; R202-A318 PolarHBondContact NH2-O 3.2Å; R202-G319 PolarHBondContact NH2-O 3.38Å; R202-Q374 PolarHBondContact O-OE1 3.4Å; R202-K390 PolarHBondContact O-NZ 2.97Å
203E84.3Confident88.3Confident176 Ų17650.6 Ų50.682%0.82226%0.258SS*.THydrogen-bonded Turntrans-59.6-27.3-176.6-66.2-176.1178.200113.7K390E203-K390 PolarHBondContact O-NZ 2.9Å
204N85.9Confident87.8Confident30 Ų3045.6 Ų45.616%0.1623%0.234CC..THydrogen-bonded Turntrans-89.7-7.7-18074.8-57.3000114.9R202 G319 G322 L323 P324 S325R202-N204 PolarHBondContact NE-OD1 2.99Å; R202-N204 PolarHBondContact NH2-OD1 2.92Å; R202-N204 PolarHBondContact O-N 3.48Å; R202-N204 VanDerWaalsContact O-N 3.15Å; N204-G319 WeakPolarHBondContact ND2-CA 3.38Å; N204-G319 PolarHBondContact ND2-O 3.27Å; N204-G322 WeakPolarHBondContact CB-O 3.23Å; N204-L323 PolarHBondContact ND2-O 3.19Å; N204-P324 CarbonylContact O-C 3.56Å; N204-P324 WeakPolarHBondContact O-CA 3.07Å; N204-S325 PolarHBondContact O-N 3.48Å
205L91.8Very high87.4Confident0 Ų048 Ų480%025%0.247CC..EExtended strand (participates in β ladder)trans-105.5121-176.1-170.260.6000111.2R202 F207 A315 A318 S325 A327 K390R202-L205 HydrophobicContact CB-CB 3.81Å; R202-L205 PolarHBondContact O-N 3.27Å; R202-L205 VanDerWaalsContact O-N 3.1Å; L205-F207 HydrophobicContact CD2-CE1 3.96Å; L205-F207 HydrophobicContact CD2-CE2 4.37Å; L205-F207 HydrophobicContact CD2-CZ 3.71Å; L205-F207 HydrophobicContact CG-CE1 4.46Å; L205-F207 HydrophobicContact CG-CE2 4.44Å; L205-F207 HydrophobicContact CG-CZ 4.21Å; L205-A315 HydrophobicContact CD2-CB 4.3Å; L205-A318 HydrophobicContact CD1-CB 3.81Å; L205-S325 CarbonylContact C-O 3.58Å; L205-S325 WeakPolarHBondContact CA-O 3.43Å; L205-A327 HydrophobicContact CD1-CB 4.04Å; L205-A327 HydrophobicContact CD2-CB 4.23Å; L205-A327 HydrophobicContact CG-CB 4.2Å; L205-K390 WeakPolarHBondContact O-CE 3.37Å; L205-K390 PolarHBondContact O-NZ 3.36Å
206A94Very high86.7Confident18 Ų1851 Ų5115%0.14926%0.263CS..EExtended strand (participates in β ladder)trans-97.7125.8173.700000110.3S325 E326 A327A206-S325 PolarHBondContact N-O 3.5Å; A206-E326 HydrophobicContact CB-CG 4.44Å; A206-E326 CarbonylContact O-C 2.93Å; A206-E326 WeakPolarHBondContact O-CA 3.47Å; A206-A327 PolarHBondContact O-N 3.17Å
207F96.4Very high86.3Confident2 Ų253.1 Ų53.11%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-92.8138.5178.5-64.3-83.9000111.1L205 Y311 Y312 A315 A327 L373 Q374 I377 C391 S392L205-F207 HydrophobicContact CD2-CE1 3.96Å; L205-F207 HydrophobicContact CD2-CE2 4.37Å; L205-F207 HydrophobicContact CD2-CZ 3.71Å; L205-F207 HydrophobicContact CG-CE1 4.46Å; L205-F207 HydrophobicContact CG-CE2 4.44Å; L205-F207 HydrophobicContact CG-CZ 4.21Å; F207-Y311 HydrophobicContact CD1-CE1 4.16Å; F207-Y311 HydrophobicContact CE1-CE1 4.29Å; F207-Y312 HydrophobicContact CZ-CD2 4.46Å; F207-A315 HydrophobicContact CE1-CB 4.03Å; F207-A327 CarbonylContact C-O 3.5Å; F207-A327 WeakPolarHBondContact CA-O 3.37Å; F207-A327 HydrophobicContact CD1-CB 3.76Å; F207-A327 HydrophobicContact CE1-CB 4Å; F207-L373 HydrophobicContact CB-CB 3.94Å; F207-L373 HydrophobicContact CB-CD1 4.04Å; F207-Q374 HydrophobicContact CD2-CB 4.16Å; F207-Q374 HydrophobicContact CE2-CB 4.34Å; F207-Q374 HydrophobicContact CE2-CG 4.28Å; F207-I377 HydrophobicContact CD1-CD1 3.99Å; F207-I377 HydrophobicContact CD2-CD1 4.36Å; F207-I377 HydrophobicContact CE1-CD1 3.73Å; F207-I377 HydrophobicContact CE2-CD1 4.13Å; F207-I377 HydrophobicContact CG-CD1 4.29Å; F207-I377 HydrophobicContact CZ-CD1 3.81Å; F207-C391 HydrophobicContact CB-CB 4.35Å; F207-C391 CarbonylContact O-C 3.58Å; F207-C391 VanDerWaalsContact O-CA 3.22Å; F207-C391 WeakPolarHBondContact O-CA 3.31Å; F207-C391 VanDerWaalsContact O-CB 3.28Å; F207-C391 WeakPolarHBondContact O-CB 3.48Å; F207-S392 PolarHBondContact O-N 3.33Å
208Q94.8Very high86.1Confident42 Ų4249 Ų4920%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-134.4138.5176.3-59.2-176.526.700110.9Y217 E326 A327 V328 L329Q208-Y217 PolarHBondContact OE1-OH 3.35Å; Q208-E326 VanDerWaalsContact NE2-CD 3.25Å; Q208-E326 PolarHBondContact NE2-OE1 3.15Å; Q208-E326 PolarHBondContact NE2-OE2 3.36Å; Q208-A327 PolarHBondContact N-O 2.82Å; Q208-V328 HydrophobicContact CB-CG1 4.31Å; Q208-V328 HydrophobicContact CB-CG2 4.29Å; Q208-V328 CarbonylContact O-C 3.54Å; Q208-V328 WeakPolarHBondContact O-CA 3.45Å; Q208-L329 PolarHBondContact O-N 2.7Å
209V93.6Very high86.2Confident22 Ų2248.3 Ų48.313%0.13325%0.249CC..EExtended strand (participates in β ladder)trans-115.2117169176.80000108.5K211 L329 Y366 L373 S392V209-K211 HydrophobicContact CG1-CG 4.45Å; V209-L329 HydrophobicContact CG2-CB 4.37Å; V209-L329 HydrophobicContact CG2-CD2 4.34Å; V209-Y366 HydrophobicContact CG2-CD1 4.31Å; V209-Y366 HydrophobicContact CG2-CE1 3.76Å; V209-L373 HydrophobicContact CB-CD1 4.43Å; V209-L373 HydrophobicContact CG2-CD1 3.8Å; V209-L373 HydrophobicContact CG2-CD2 3.79Å; V209-L373 HydrophobicContact CG2-CG 4.48Å; V209-S392 PolarHBondContact N-OG 3.12Å
210V88.6Confident86.4Confident24 Ų2451.3 Ų51.315%0.14526%0.258CS..EExtended strand (participates in β ladder)trans-108.6128.9179.5-1790000108.9Y217 V328 L329 L330 Y331V210-Y217 HydrophobicContact CB-CE2 4.5Å; V210-Y217 HydrophobicContact CG1-CD1 4.48Å; V210-Y217 HydrophobicContact CG1-CD2 3.77Å; V210-Y217 HydrophobicContact CG1-CE2 4.18Å; V210-Y217 HydrophobicContact CG1-CG 3.93Å; V210-Y217 HydrophobicContact CG2-CD1 4.41Å; V210-Y217 HydrophobicContact CG2-CD2 4.04Å; V210-Y217 HydrophobicContact CG2-CE1 4.02Å; V210-Y217 HydrophobicContact CG2-CE2 3.57Å; V210-Y217 HydrophobicContact CG2-CG 4.43Å; V210-V328 HydrophobicContact CG2-CG1 3.87Å; V210-L329 PolarHBondContact N-O 3.44Å; V210-L330 HydrophobicContact CB-CD2 3.93Å; V210-L330 HydrophobicContact CG1-CD2 4.36Å; V210-L330 HydrophobicContact CG2-CD2 4.37Å; V210-Y331 PolarHBondContact O-N 3.28Å
211K83.7Confident86.7Confident96 Ų9652 Ų5242%0.41726%0.261SS..EExtended strand (participates in β ladder)trans-114.2133.5177.6-58.9176.5-174.3179.40106.8V209 Y331 G367V209-K211 HydrophobicContact CG1-CG 4.45Å; K211-Y331 HydrophobicContact CG-CD1 4.31Å; K211-G367 WeakPolarHBondContact CE-O 3.15Å; K211-G367 PolarHBondContact NZ-O 3.45Å
212D74.9Confident87Confident126 Ų12650.3 Ų50.367%0.67425%0.246SC*.SBendtrans75.2158.7179.7-48.2-56.8000116K214D212-K214 VanDerWaalsContact C-N 3.26Å; D212-K214 PolarHBondContact O-N 3.45Å; D212-K214 VanDerWaalsContact O-N 3.1Å
213Q77.9Confident87.1Confident148 Ų14853.9 Ų53.969%0.69226%0.262SS*.  trans4937.2178.2-61.2-172.6-16.200115.8D215 L216 Y217Q213-D215 PolarHBondContact O-N 3.15Å; Q213-L216 HydrophobicContact CB-CB 4.29Å; Q213-L216 PolarHBondContact O-N 2.98Å; Q213-Y217 PolarHBondContact O-N 3.22Å
214K84.4Confident87Confident38 Ų3852.4 Ų52.417%0.16526%0.259CS..Hα-helixtrans-45.2-52.5-174.5-62.9-166.6179-169.20114.8D212 L216 Y217 L218 A302 L330 A332 D335D212-K214 VanDerWaalsContact C-N 3.26Å; D212-K214 PolarHBondContact O-N 3.45Å; D212-K214 VanDerWaalsContact O-N 3.1Å; K214-L216 VanDerWaalsContact C-N 3.34Å; K214-L216 PolarHBondContact O-N 3.45Å; K214-Y217 PolarHBondContact O-N 2.83Å; K214-L218 VanDerWaalsContact O-CB 3.28Å; K214-L218 WeakPolarHBondContact O-CB 3.46Å; K214-L218 PolarHBondContact O-N 3.22Å; K214-A302 PolarHBondContact NZ-O 2.93Å; K214-L330 HydrophobicContact CB-CB 4.42Å; K214-L330 HydrophobicContact CB-CD1 4.13Å; K214-L330 HydrophobicContact CD-CB 3.85Å; K214-L330 WeakPolarHBondContact CE-O 3.17Å; K214-L330 HydrophobicContact CG-CB 3.99Å; K214-L330 PolarHBondContact NZ-O 3.2Å; K214-A332 VanDerWaalsContact NZ-CB 3.28Å; K214-D335 IonicContact NZ-OD2 2.83Å; K214-D335 PolarHBondContact NZ-OD2 3.01Å
215D87.2Confident87Confident61 Ų6153.5 Ų53.533%0.32627%0.265SS..Hα-helixtrans-67.5-36-175.9-75.14.2000112.1Q213 T219 R242 L246Q213-D215 PolarHBondContact O-N 3.15Å; D215-T219 WeakPolarHBondContact O-CB 3.49Å; D215-T219 PolarHBondContact O-N 2.73Å; D215-T219 PolarHBondContact O-OG1 3.45Å; D215-R242 IonicContact OD1-CZ 3.18Å; D215-R242 IonicContact OD1-NH1 2.95Å; D215-R242 IonicContact OD1-NH2 2.63Å; D215-R242 PolarHBondContact OD1-NH2 3.06Å; D215-R242 IonicContact OD2-CZ 3.18Å; D215-R242 IonicContact OD2-NH1 2.67Å; D215-R242 PolarHBondContact OD2-NH1 3.38Å; D215-R242 IonicContact OD2-NH2 2.68Å; D215-L246 HydrophobicContact CB-CD2 4.18Å
216L82.6Confident86.6Confident89 Ų8959.8 Ų59.847%0.46629%0.294SS..Hα-helixtrans-69-48.2175.5179.263.3000110.3Q213 K214 L218 T219 E220Q213-L216 HydrophobicContact CB-CB 4.29Å; Q213-L216 PolarHBondContact O-N 2.98Å; K214-L216 VanDerWaalsContact C-N 3.34Å; K214-L216 PolarHBondContact O-N 3.45Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 2.81Å; L216-T219 PolarHBondContact O-N 2.77Å; L216-E220 HydrophobicContact CD1-CG 4.07Å; L216-E220 HydrophobicContact CG-CG 4.48Å; L216-E220 WeakPolarHBondContact O-CG 3.2Å; L216-E220 PolarHBondContact O-N 3.36Å
217Y86.1Confident85.9Confident54 Ų5461.7 Ų61.721%0.21232%0.315CS..Hα-helixtrans-56.2-49175.6179.1-82.5000110.6Q208 V210 Q213 K214 T219 E220 Y221 V328 L330Q208-Y217 PolarHBondContact OE1-OH 3.35Å; V210-Y217 HydrophobicContact CB-CE2 4.5Å; V210-Y217 HydrophobicContact CG1-CD1 4.48Å; V210-Y217 HydrophobicContact CG1-CD2 3.77Å; V210-Y217 HydrophobicContact CG1-CE2 4.18Å; V210-Y217 HydrophobicContact CG1-CG 3.93Å; V210-Y217 HydrophobicContact CG2-CD1 4.41Å; V210-Y217 HydrophobicContact CG2-CD2 4.04Å; V210-Y217 HydrophobicContact CG2-CE1 4.02Å; V210-Y217 HydrophobicContact CG2-CE2 3.57Å; V210-Y217 HydrophobicContact CG2-CG 4.43Å; Q213-Y217 PolarHBondContact O-N 3.22Å; K214-Y217 PolarHBondContact O-N 2.83Å; Y217-T219 VanDerWaalsContact C-N 3.32Å; Y217-T219 PolarHBondContact O-N 3.4Å; Y217-E220 PolarHBondContact O-N 3.02Å; Y217-Y221 AromaticContact CE1-CD2 3.84Å; Y217-Y221 HydrophobicContact CE1-CD2 3.84Å; Y217-Y221 HydrophobicContact CE1-CG 4.13Å; Y217-Y221 AromaticContact CZ-CD2 3.82Å; Y217-Y221 WeakPolarHBondContact O-CB 3.33Å; Y217-Y221 PolarHBondContact O-N 3.37Å; Y217-Y221 WeakPolarHBondContact OH-CD2 3.36Å; Y217-V328 HydrophobicContact CE1-CG1 3.82Å; Y217-L330 HydrophobicContact CD1-CD2 3.57Å; Y217-L330 HydrophobicContact CE1-CD2 3.96Å; Y217-L330 HydrophobicContact CG-CD2 4.34Å
218L87.9Confident85.6Confident0 Ų065.8 Ų65.80%033%0.334CS..Hα-helixtrans-57.9-46.5179.7-179.462.2000111.4K214 L216 L222 I232 L243 L247 I300 L330K214-L218 VanDerWaalsContact O-CB 3.28Å; K214-L218 WeakPolarHBondContact O-CB 3.46Å; K214-L218 PolarHBondContact O-N 3.22Å; L216-L218 VanDerWaalsContact C-N 3.32Å; L216-L218 PolarHBondContact O-N 2.81Å; L218-L222 HydrophobicContact CD1-CD1 4.12Å; L218-L222 HydrophobicContact CD1-CG 4.3Å; L218-L222 HydrophobicContact CG-CD1 4.21Å; L218-L222 WeakPolarHBondContact O-CB 3.47Å; L218-L222 VanDerWaalsContact O-CG 3.23Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 2.98Å; L218-I232 HydrophobicContact CD1-CD1 3.84Å; L218-I232 HydrophobicContact CD1-CG1 4.35Å; L218-I232 HydrophobicContact CD2-CD1 4.42Å; L218-L243 HydrophobicContact CD2-CD2 3.7Å; L218-L247 HydrophobicContact CD2-CD1 4.21Å; L218-L247 HydrophobicContact CD2-CD2 4.44Å; L218-L247 HydrophobicContact CG-CD2 4.44Å; L218-I300 HydrophobicContact CD1-CD1 3.57Å; L218-I300 HydrophobicContact CD1-CG2 4.2Å; L218-L330 HydrophobicContact CB-CD1 4.28Å
219T87Confident85.4Confident10 Ų1063.9 Ų63.96%0.06133%0.326CS..Hα-helixtrans-61.4-50.4178.7-60.50000111.5D215 L216 Y217 L222 K223 Q250 F252D215-T219 WeakPolarHBondContact O-CB 3.49Å; D215-T219 PolarHBondContact O-N 2.73Å; D215-T219 PolarHBondContact O-OG1 3.45Å; L216-T219 PolarHBondContact O-N 2.77Å; Y217-T219 VanDerWaalsContact C-N 3.32Å; Y217-T219 PolarHBondContact O-N 3.4Å; T219-L222 PolarHBondContact O-N 2.8Å; T219-K223 HydrophobicContact CG2-CD 4.46Å; T219-K223 WeakPolarHBondContact O-CG 3.37Å; T219-K223 PolarHBondContact O-N 3.07Å; T219-Q250 PolarHBondContact OG1-NE2 3.18Å; T219-Q250 PolarHBondContact OG1-OE1 2.91Å; T219-Q250 VanDerWaalsContact OG1-OE1 3.14Å; T219-F252 HydrophobicContact CG2-CE2 4.44Å
220E85.2Confident85.5Confident81 Ų8162.9 Ų62.938%0.37932%0.32SS..Hα-helixtrans-67.5-39.4-178.4-67-55.7125.200111.8L216 Y217 L222 K223 L224L216-E220 HydrophobicContact CD1-CG 4.07Å; L216-E220 HydrophobicContact CG-CG 4.48Å; L216-E220 WeakPolarHBondContact O-CG 3.2Å; L216-E220 PolarHBondContact O-N 3.36Å; Y217-E220 PolarHBondContact O-N 3.02Å; E220-L222 VanDerWaalsContact C-N 3.35Å; E220-L222 PolarHBondContact O-N 3.45Å; E220-K223 WeakPolarHBondContact O-CB 3.32Å; E220-K223 PolarHBondContact O-N 3.25Å; E220-K223 IonicContact OE1-NZ 3.54Å; E220-K223 PolarHBondContact OE1-NZ 2.96Å; E220-L224 WeakPolarHBondContact O-CG 3.5Å; E220-L224 PolarHBondContact O-N 3.49Å
221Y87.7Confident85.8Confident18 Ų1861.8 Ų61.87%0.07131%0.313CS..Hα-helixtrans-58.6-46.4175-173-84.2000111.7Y217 K223 L224 N225 F298 I300 E326 V328Y217-Y221 AromaticContact CE1-CD2 3.84Å; Y217-Y221 HydrophobicContact CE1-CD2 3.84Å; Y217-Y221 HydrophobicContact CE1-CG 4.13Å; Y217-Y221 AromaticContact CZ-CD2 3.82Å; Y217-Y221 WeakPolarHBondContact O-CB 3.33Å; Y217-Y221 PolarHBondContact O-N 3.37Å; Y217-Y221 WeakPolarHBondContact OH-CD2 3.36Å; Y221-K223 VanDerWaalsContact C-N 3.34Å; Y221-L224 PolarHBondContact O-N 3.35Å; Y221-N225 WeakPolarHBondContact CE1-ND2 3.48Å; Y221-N225 WeakPolarHBondContact O-CB 3.23Å; Y221-N225 PolarHBondContact O-N 3.01Å; Y221-N225 PolarHBondContact O-ND2 3.34Å; Y221-F298 HydrophobicContact CE1-CB 3.98Å; Y221-F298 HydrophobicContact CE1-CD1 4.05Å; Y221-F298 AromaticContact CE1-CD2 3.99Å; Y221-F298 HydrophobicContact CE1-CD2 3.99Å; Y221-F298 HydrophobicContact CE1-CE2 4.47Å; Y221-F298 AromaticContact CE1-CG 3.75Å; Y221-F298 HydrophobicContact CE1-CG 3.75Å; Y221-F298 WeakPolarHBondContact OH-CB 3.48Å; Y221-I300 HydrophobicContact CD1-CD1 3.71Å; Y221-I300 HydrophobicContact CE1-CD1 3.97Å; Y221-I300 HydrophobicContact CG-CD1 4.41Å; Y221-E326 WeakPolarHBondContact CE2-OE2 3.44Å; Y221-E326 VanDerWaalsContact CZ-OE2 3.32Å; Y221-E326 WeakPolarHBondContact OH-CB 3.44Å; Y221-E326 PolarHBondContact OH-OE2 3.14Å; Y221-V328 HydrophobicContact CE2-CG2 4.18Å
222L89.7Confident86.5Confident4 Ų457.2 Ų57.22%0.02129%0.293CS..Hα-helixtrans-68.9-31.2178-68.3176.3000112.6L218 T219 E220 N225 Q226 I232 L247 F252 V280 F298L218-L222 HydrophobicContact CD1-CD1 4.12Å; L218-L222 HydrophobicContact CD1-CG 4.3Å; L218-L222 HydrophobicContact CG-CD1 4.21Å; L218-L222 WeakPolarHBondContact O-CB 3.47Å; L218-L222 VanDerWaalsContact O-CG 3.23Å; L218-L222 WeakPolarHBondContact O-CG 3.49Å; L218-L222 PolarHBondContact O-N 2.98Å; T219-L222 PolarHBondContact O-N 2.8Å; E220-L222 VanDerWaalsContact C-N 3.35Å; E220-L222 PolarHBondContact O-N 3.45Å; L222-N225 CarbonylContact O-C 3.58Å; L222-Q226 WeakPolarHBondContact O-CG 3.5Å; L222-Q226 PolarHBondContact O-N 3.39Å; L222-Q226 VanDerWaalsContact O-N 3.15Å; L222-I232 HydrophobicContact CD1-CD1 4.16Å; L222-L247 HydrophobicContact CD1-CD1 3.58Å; L222-L247 HydrophobicContact CD1-CD2 3.61Å; L222-L247 HydrophobicContact CD1-CG 4.21Å; L222-F252 HydrophobicContact CB-CD1 4.08Å; L222-F252 HydrophobicContact CB-CE1 3.49Å; L222-F252 VanDerWaalsContact CB-CE1 3.49Å; L222-F252 HydrophobicContact CB-CE2 4.26Å; L222-F252 HydrophobicContact CB-CZ 3.57Å; L222-V280 HydrophobicContact CD2-CG2 4.06Å; L222-F298 HydrophobicContact CD2-CE1 4.48Å; L222-F298 HydrophobicContact CD2-CE2 3.54Å; L222-F298 HydrophobicContact CD2-CZ 3.41Å; L222-F298 VanDerWaalsContact CD2-CZ 3.41Å
223K85.5Confident87.5Confident93 Ų9351.4 Ų51.440%0.40426%0.262SS..Hα-helixtrans-65.4-44.5172.7-73.2177.5-168.9162.20111.9T219 E220 Y221 N225 Q226 F252T219-K223 HydrophobicContact CG2-CD 4.46Å; T219-K223 WeakPolarHBondContact O-CG 3.37Å; T219-K223 PolarHBondContact O-N 3.07Å; E220-K223 WeakPolarHBondContact O-CB 3.32Å; E220-K223 PolarHBondContact O-N 3.25Å; E220-K223 IonicContact OE1-NZ 3.54Å; E220-K223 PolarHBondContact OE1-NZ 2.96Å; Y221-K223 VanDerWaalsContact C-N 3.34Å; K223-N225 VanDerWaalsContact C-N 3.27Å; K223-N225 PolarHBondContact O-N 2.94Å; K223-Q226 WeakPolarHBondContact O-CG 3.21Å; K223-F252 HydrophobicContact CG-CE1 4.34Å; K223-F252 HydrophobicContact CG-CZ 3.8Å
224L81.8Confident88.4Confident144 Ų14444.6 Ų44.675%0.75423%0.231SC*.Hα-helixtrans-66.3-32.8178.8-69.8171.4000112E220 Y221E220-L224 WeakPolarHBondContact O-CG 3.5Å; E220-L224 PolarHBondContact O-N 3.49Å; Y221-L224 PolarHBondContact O-N 3.35Å
225N86.4Confident88.8Confident53 Ų5343.9 Ų43.928%0.28323%0.231SC..THydrogen-bonded Turntrans-105.632.3-178.6-62.6-74.2000112.7Y221 L222 K223 G227 Q228 F298Y221-N225 WeakPolarHBondContact CE1-ND2 3.48Å; Y221-N225 WeakPolarHBondContact O-CB 3.23Å; Y221-N225 PolarHBondContact O-N 3.01Å; Y221-N225 PolarHBondContact O-ND2 3.34Å; L222-N225 CarbonylContact O-C 3.58Å; K223-N225 VanDerWaalsContact C-N 3.27Å; K223-N225 PolarHBondContact O-N 2.94Å; N225-G227 PolarHBondContact O-N 2.73Å; N225-Q228 HydrophobicContact CB-CB 4.47Å; N225-Q228 HydrophobicContact CB-CG 4.42Å; N225-Q228 WeakPolarHBondContact O-CB 3.45Å; N225-Q228 PolarHBondContact O-N 3.03Å; N225-Q228 VanDerWaalsContact O-N 3.16Å; N225-F298 HydrophobicContact CB-CD1 4.48Å; N225-F298 HydrophobicContact CB-CE1 4.2Å
226Q83.1Confident89.1Confident133 Ų13342.8 Ų42.862%0.62123%0.226SC*.THydrogen-bonded Turntrans-56.8138.2177.5-83.6-18012.200111.7L222 K223 Q228 F252L222-Q226 WeakPolarHBondContact O-CG 3.5Å; L222-Q226 PolarHBondContact O-N 3.39Å; L222-Q226 VanDerWaalsContact O-N 3.15Å; K223-Q226 WeakPolarHBondContact O-CG 3.21Å; Q226-Q228 PolarHBondContact O-N 3.3Å; Q226-F252 HydrophobicContact CG-CE1 4.42Å
227G80.8Confident89.7Confident57 Ų5745.3 Ų45.359%0.58823%0.23SC*.THydrogen-bonded Turntrans78.7-0.7-178.600000114.8N225 Q279N225-G227 PolarHBondContact O-N 2.73Å; G227-Q279 PolarHBondContact O-OE1 2.82Å
228Q89Confident90.1Very high88 Ų8851.2 Ų51.241%0.41126%0.256SS..  trans-91.4139.7172-57.2-56.8-33.600110.8N225 Q226 R297 F298N225-Q228 HydrophobicContact CB-CB 4.47Å; N225-Q228 HydrophobicContact CB-CG 4.42Å; N225-Q228 WeakPolarHBondContact O-CB 3.45Å; N225-Q228 PolarHBondContact O-N 3.03Å; N225-Q228 VanDerWaalsContact O-N 3.16Å; Q226-Q228 PolarHBondContact O-N 3.3Å; Q228-R297 HydrophobicContact CB-CB 4.15Å; Q228-R297 HydrophobicContact CB-CG 4.11Å; Q228-R297 HydrophobicContact CG-CG 4.46Å; Q228-R297 VanDerWaalsContact OE1-CG 3.32Å; Q228-F298 HydrophobicContact CB-CD1 4.44Å; Q228-F298 HydrophobicContact CB-CE1 4.03Å
229S91.1Very high90.5Very high3 Ų353 Ų532%0.02127%0.265CS..  trans-76.5136.7177.7-175.60000111.2F273 Q279 K293 R297S229-F273 VanDerWaalsContact OG-CE2 3.3Å; S229-F273 WeakPolarHBondContact OG-CE2 3.17Å; S229-F273 WeakPolarHBondContact OG-CZ 3.31Å; S229-Q279 CarbonylContact C-O 3.5Å; S229-Q279 WeakPolarHBondContact CA-O 3.25Å; S229-Q279 PolarHBondContact OG-O 2.79Å; S229-K293 WeakPolarHBondContact OG-CE 3.4Å; S229-R297 PolarHBondContact O-N 2.84Å
230G94.4Very high91.1Very high0 Ų052.5 Ų52.50%026%0.262CS..EExtended strand (participates in β ladder)trans-154.7164.2-178.300000114.9F273 Q279 V280 M281 F298G230-F273 WeakPolarHBondContact O-CE2 3.48Å; G230-Q279 PolarHBondContact N-O 3.06Å; G230-V280 WeakPolarHBondContact O-CA 3.42Å; G230-M281 PolarHBondContact O-N 3.4Å; G230-F298 WeakPolarHBondContact CA-O 3.45Å
231I96Very high91.7Very high1 Ų150.9 Ų50.91%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-123.8134178.1-53.8170.7000109Y233 F273 M281 F287 V296 F298 V299 I300 R317I231-Y233 HydrophobicContact CB-CE2 4.32Å; I231-Y233 HydrophobicContact CG2-CD1 4.4Å; I231-Y233 HydrophobicContact CG2-CD2 4.01Å; I231-Y233 HydrophobicContact CG2-CE1 4.03Å; I231-Y233 HydrophobicContact CG2-CE2 3.58Å; I231-Y233 HydrophobicContact CG2-CG 4.39Å; I231-F273 HydrophobicContact CD1-CE1 4.39Å; I231-F273 HydrophobicContact CD1-CZ 4.37Å; I231-F273 HydrophobicContact CG1-CE1 4.21Å; I231-F273 HydrophobicContact CG1-CZ 3.76Å; I231-M281 CarbonylContact C-O 3.57Å; I231-M281 WeakPolarHBondContact CA-O 3.45Å; I231-F287 HydrophobicContact CD1-CD1 4.38Å; I231-F287 HydrophobicContact CD1-CE1 3.9Å; I231-F287 HydrophobicContact CG1-CE1 4.11Å; I231-F287 HydrophobicContact CG2-CD1 4.14Å; I231-F287 HydrophobicContact CG2-CE1 4.25Å; I231-V296 HydrophobicContact CD1-CG1 4.29Å; I231-V296 HydrophobicContact CD1-CG2 4.37Å; I231-V296 HydrophobicContact CG1-CG1 4.19Å; I231-F298 PolarHBondContact N-O 3.23Å; I231-V299 HydrophobicContact CB-CG2 4.35Å; I231-V299 CarbonylContact O-C 3.59Å; I231-V299 VanDerWaalsContact O-CA 3.31Å; I231-V299 WeakPolarHBondContact O-CA 3.43Å; I231-I300 PolarHBondContact O-N 2.84Å; I231-R317 HydrophobicContact CD1-CB 4.27Å
232I97.3Very high92.2Very high0 Ų054.3 Ų54.30%027%0.267CS..EExtended strand (participates in β ladder)trans-113.7110.8173.8-58167.8000108.1L218 L222 L243 L247 V280 M281 I282 A283 I300 A302L218-I232 HydrophobicContact CD1-CD1 3.84Å; L218-I232 HydrophobicContact CD1-CG1 4.35Å; L218-I232 HydrophobicContact CD2-CD1 4.42Å; L222-I232 HydrophobicContact CD1-CD1 4.16Å; I232-L243 HydrophobicContact CG2-CD1 4.08Å; I232-L247 HydrophobicContact CD1-CD1 3.56Å; I232-V280 HydrophobicContact CD1-CG1 3.52Å; I232-V280 HydrophobicContact CG1-CG1 3.91Å; I232-M281 PolarHBondContact N-O 2.89Å; I232-I282 HydrophobicContact CB-CG1 4.25Å; I232-I282 HydrophobicContact CB-CG2 4.41Å; I232-I282 HydrophobicContact CD1-CG1 4.09Å; I232-I282 HydrophobicContact CG2-CG2 4.46Å; I232-I282 CarbonylContact O-C 3.5Å; I232-I282 WeakPolarHBondContact O-CA 3.45Å; I232-A283 PolarHBondContact O-N 3.4Å; I232-I300 CarbonylContact C-O 3.45Å; I232-I300 WeakPolarHBondContact CA-O 3.4Å; I232-I300 HydrophobicContact CG1-CB 4.3Å; I232-A302 HydrophobicContact CG2-CB 4.03Å
233Y96.9Very high92.5Very high5 Ų554.1 Ų54.12%0.0227%0.266CS..EExtended strand (participates in β ladder)trans-88.3133.5175.9-73.5-67000111.9I231 A283 F287 G288 V299 I300 H301 A302 E314 R317I231-Y233 HydrophobicContact CB-CE2 4.32Å; I231-Y233 HydrophobicContact CG2-CD1 4.4Å; I231-Y233 HydrophobicContact CG2-CD2 4.01Å; I231-Y233 HydrophobicContact CG2-CE1 4.03Å; I231-Y233 HydrophobicContact CG2-CE2 3.58Å; I231-Y233 HydrophobicContact CG2-CG 4.39Å; Y233-A283 CarbonylContact C-O 3.52Å; Y233-A283 VanDerWaalsContact CA-O 3.25Å; Y233-A283 WeakPolarHBondContact CA-O 3.45Å; Y233-A283 HydrophobicContact CE1-CB 4.46Å; Y233-F287 HydrophobicContact CE1-CB 4.48Å; Y233-G288 WeakPolarHBondContact OH-CA 3.17Å; Y233-V299 HydrophobicContact CD2-CG1 3.68Å; Y233-V299 HydrophobicContact CE2-CG1 3.82Å; Y233-I300 PolarHBondContact N-O 3.4Å; Y233-H301 AromaticContact CD2-NE2 3.93Å; Y233-H301 CarbonylContact O-C 3.53Å; Y233-A302 PolarHBondContact O-N 3.19Å; Y233-E314 HydrophobicContact CD2-CB 3.87Å; Y233-E314 HydrophobicContact CD2-CG 4.15Å; Y233-E314 HydrophobicContact CE1-CG 4.47Å; Y233-E314 HydrophobicContact CE2-CB 3.64Å; Y233-E314 HydrophobicContact CE2-CG 3.89Å; Y233-R317 WeakPolarHBondContact OH-CD 3.14Å; Y233-R317 PolarHBondContact OH-NE 3.44Å
234A95.9Very high93.2Very high4 Ų451.2 Ų51.23%0.03325%0.252CS..  trans-133.6149.8169.900000110.6T236 E239 V240 L243 A283 T284A234-T236 VanDerWaalsContact C-N 3.35Å; A234-T236 PolarHBondContact O-N 3.04Å; A234-E239 HydrophobicContact CB-CB 3.97Å; A234-E239 HydrophobicContact CB-CG 3.78Å; A234-V240 HydrophobicContact CB-CG2 3.97Å; A234-L243 HydrophobicContact CB-CD1 4.22Å; A234-A283 PolarHBondContact N-O 3.25Å; A234-T284 WeakPolarHBondContact O-CA 3.28Å
235S93.1Very high93.9Very high24 Ų2449.8 Ų49.817%0.16824%0.242CC..SBendtrans-76.6-21.4-172.2-54.10000113.5Q303 I304 Q339 F342S235-Q303 WeakPolarHBondContact OG-CB 3.37Å; S235-I304 PolarHBondContact OG-O 3.04Å; S235-Q339 PolarHBondContact OG-NE2 2.92Å; S235-F342 WeakPolarHBondContact O-CZ 3.49Å
236T93.7Very high94.4Very high38 Ų3849.4 Ų49.423%0.23324%0.24CC..SBendtrans-127.9149.9-173.973.10000112.6A234 K238 E239 V240 V338 F342A234-T236 VanDerWaalsContact C-N 3.35Å; A234-T236 PolarHBondContact O-N 3.04Å; T236-K238 PolarHBondContact O-N 3.08Å; T236-E239 PolarHBondContact O-N 2.99Å; T236-E239 VanDerWaalsContact O-N 3.12Å; T236-E239 WeakPolarHBondContact OG1-CB 3.21Å; T236-E239 PolarHBondContact OG1-N 2.98Å; T236-V240 PolarHBondContact O-N 3.26Å; T236-V338 HydrophobicContact CG2-CG1 3.64Å; T236-F342 HydrophobicContact CG2-CZ 4.25Å
237R95Very high95Very high142 Ų14243.1 Ų43.154%0.53621%0.21SC..Hα-helixtrans-55.3-42.1172.2-56.5178.8-175.1177.5-0.5111.3E239 V240 E241 H258 G259R237-E239 VanDerWaalsContact C-N 3.3Å; R237-E239 PolarHBondContact O-N 3.17Å; R237-V240 PolarHBondContact O-N 2.84Å; R237-E241 VanDerWaalsContact O-CG 3.31Å; R237-E241 WeakPolarHBondContact O-CG 3.31Å; R237-E241 PolarHBondContact O-N 2.91Å; R237-H258 HydrophobicContact CG-CB 4.08Å; R237-G259 PolarHBondContact NH2-O 3.19Å
238K95.9Very high95.8Very high178 Ų17845.9 Ų45.977%0.77421%0.206SC*.Hα-helixtrans-58.4-43.1178.5-177.6179.5176.4-177.80111.5T236 R242T236-K238 PolarHBondContact O-N 3.08Å; K238-R242 WeakPolarHBondContact O-CB 3.3Å; K238-R242 PolarHBondContact O-N 2.77Å
239E96.3Very high96.1Very high37 Ų3749.5 Ų49.517%0.17322%0.222CC..Hα-helixtrans-73.6-37.7-179.9-170.361.1-170.200112.3A234 T236 R237 E241 R242 L243 Q303A234-E239 HydrophobicContact CB-CB 3.97Å; A234-E239 HydrophobicContact CB-CG 3.78Å; T236-E239 PolarHBondContact O-N 2.99Å; T236-E239 VanDerWaalsContact O-N 3.12Å; T236-E239 WeakPolarHBondContact OG1-CB 3.21Å; T236-E239 PolarHBondContact OG1-N 2.98Å; R237-E239 VanDerWaalsContact C-N 3.3Å; R237-E239 PolarHBondContact O-N 3.17Å; E239-E241 VanDerWaalsContact C-N 3.33Å; E239-E241 PolarHBondContact O-N 3.14Å; E239-R242 VanDerWaalsContact CD-NE 3.29Å; E239-R242 PolarHBondContact O-N 3.46Å; E239-R242 IonicContact OE1-CZ 3.71Å; E239-R242 VanDerWaalsContact OE1-CZ 3.25Å; E239-R242 IonicContact OE1-NE 2.92Å; E239-R242 PolarHBondContact OE1-NE 2.75Å; E239-R242 IonicContact OE1-NH2 3.96Å; E239-R242 PolarHBondContact OE1-NH2 2.87Å; E239-R242 WeakPolarHBondContact OE2-CD 3.27Å; E239-R242 IonicContact OE2-CZ 2.62Å; E239-R242 IonicContact OE2-NE 3.81Å; E239-R242 PolarHBondContact OE2-NE 2.81Å; E239-L243 HydrophobicContact CG-CD1 4.12Å; E239-L243 HydrophobicContact CG-CG 4.43Å; E239-L243 WeakPolarHBondContact O-CB 3.25Å; E239-L243 WeakPolarHBondContact O-CG 3.31Å; E239-L243 PolarHBondContact O-N 2.84Å; E239-Q303 HydrophobicContact CG-CG 4.18Å
240V97.9Very high96.1Very high0 Ų052.6 Ų52.60%024%0.237CC..Hα-helixtrans-56.8-47.6170.9170.90000111.2A234 T236 R237 L243 Y244 K256 I282 A283 T284A234-V240 HydrophobicContact CB-CG2 3.97Å; T236-V240 PolarHBondContact O-N 3.26Å; R237-V240 PolarHBondContact O-N 2.84Å; V240-L243 PolarHBondContact O-N 3.03Å; V240-Y244 VanDerWaalsContact O-CB 3.27Å; V240-Y244 WeakPolarHBondContact O-CB 3.42Å; V240-Y244 PolarHBondContact O-N 3.44Å; V240-K256 HydrophobicContact CG1-CB 3.93Å; V240-I282 HydrophobicContact CB-CG2 4.35Å; V240-I282 HydrophobicContact CG1-CB 4.46Å; V240-I282 HydrophobicContact CG1-CG2 4Å; V240-I282 WeakPolarHBondContact CG1-O 3.06Å; V240-I282 HydrophobicContact CG2-CG2 4.44Å; V240-A283 VanDerWaalsContact CG2-C 3.5Å; V240-T284 HydrophobicContact CG2-CG2 3.75Å
241E98.1Very high96.1Very high47 Ų4761.4 Ų61.422%0.2228%0.278CS..Hα-helixtrans-64.3-42.8178.4-68.2-73-168.800112R237 E239 Y244 H245 K256 H258R237-E241 VanDerWaalsContact O-CG 3.31Å; R237-E241 WeakPolarHBondContact O-CG 3.31Å; R237-E241 PolarHBondContact O-N 2.91Å; E239-E241 VanDerWaalsContact C-N 3.33Å; E239-E241 PolarHBondContact O-N 3.14Å; E241-Y244 PolarHBondContact O-N 3.01Å; E241-H245 PolarHBondContact O-CD2 2.86Å; E241-H245 PolarHBondContact O-N 2.9Å; E241-H245 IonicContact OE2-NE2 2.83Å; E241-K256 IonicContact OE1-NZ 3.93Å; E241-K256 PolarHBondContact OE1-NZ 3.39Å; E241-K256 VanDerWaalsContact OE2-CD 3.32Å; E241-K256 WeakPolarHBondContact OE2-CD 3.5Å; E241-K256 IonicContact OE2-NZ 3.13Å; E241-K256 PolarHBondContact OE2-NZ 3.17Å; E241-H258 IonicContact OE1-CE1 3.25Å; E241-H258 IonicContact OE1-NE2 3.99Å; E241-H258 PolarHBondContact OE1-NE2 3.3Å; E241-H258 VanDerWaalsContact OE1-NE2 3.09Å
242R97.8Very high96Very high89 Ų8962.6 Ų62.634%0.33628%0.283SS..Hα-helixtrans-59.4-50.2177.6-171-164.774.183.5-5.3111.3D215 K238 E239 Y244 H245 L246D215-R242 IonicContact OD1-CZ 3.18Å; D215-R242 IonicContact OD1-NH1 2.95Å; D215-R242 IonicContact OD1-NH2 2.63Å; D215-R242 PolarHBondContact OD1-NH2 3.06Å; D215-R242 IonicContact OD2-CZ 3.18Å; D215-R242 IonicContact OD2-NH1 2.67Å; D215-R242 PolarHBondContact OD2-NH1 3.38Å; D215-R242 IonicContact OD2-NH2 2.68Å; K238-R242 WeakPolarHBondContact O-CB 3.3Å; K238-R242 PolarHBondContact O-N 2.77Å; E239-R242 VanDerWaalsContact CD-NE 3.29Å; E239-R242 PolarHBondContact O-N 3.46Å; E239-R242 IonicContact OE1-CZ 3.71Å; E239-R242 VanDerWaalsContact OE1-CZ 3.25Å; E239-R242 IonicContact OE1-NE 2.92Å; E239-R242 PolarHBondContact OE1-NE 2.75Å; E239-R242 IonicContact OE1-NH2 3.96Å; E239-R242 PolarHBondContact OE1-NH2 2.87Å; E239-R242 WeakPolarHBondContact OE2-CD 3.27Å; E239-R242 IonicContact OE2-CZ 2.62Å; E239-R242 IonicContact OE2-NE 3.81Å; E239-R242 PolarHBondContact OE2-NE 2.81Å; R242-Y244 VanDerWaalsContact C-N 3.33Å; R242-H245 PolarHBondContact O-N 2.89Å; R242-L246 WeakPolarHBondContact O-CB 3.34Å; R242-L246 PolarHBondContact O-N 3.47Å
243L97.8Very high95.9Very high1 Ų165.1 Ų65.11%0.00530%0.301CS..Hα-helixtrans-64.3-39.6178.9-71.3172.6000111.4L218 I232 A234 E239 V240 L246 L247 I282 A302L218-L243 HydrophobicContact CD2-CD2 3.7Å; I232-L243 HydrophobicContact CG2-CD1 4.08Å; A234-L243 HydrophobicContact CB-CD1 4.22Å; E239-L243 HydrophobicContact CG-CD1 4.12Å; E239-L243 HydrophobicContact CG-CG 4.43Å; E239-L243 WeakPolarHBondContact O-CB 3.25Å; E239-L243 WeakPolarHBondContact O-CG 3.31Å; E239-L243 PolarHBondContact O-N 2.84Å; V240-L243 PolarHBondContact O-N 3.03Å; L243-L246 HydrophobicContact CD2-CD2 4.5Å; L243-L246 PolarHBondContact O-N 2.79Å; L243-L247 WeakPolarHBondContact O-CB 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.22Å; L243-L247 PolarHBondContact O-N 3.12Å; L243-I282 HydrophobicContact CB-CD1 4.28Å; L243-I282 HydrophobicContact CB-CG2 3.87Å; L243-I282 HydrophobicContact CD1-CG2 4.25Å; L243-A302 HydrophobicContact CD1-CB 3.63Å
244Y98.2Very high95.9Very high31 Ų3165.4 Ų65.412%0.12230%0.303CS..Hα-helixtrans-57.9-50.5175176.6-99.6000111.6V240 E241 R242 K248 V254 K256 I282V240-Y244 VanDerWaalsContact O-CB 3.27Å; V240-Y244 WeakPolarHBondContact O-CB 3.42Å; V240-Y244 PolarHBondContact O-N 3.44Å; E241-Y244 PolarHBondContact O-N 3.01Å; R242-Y244 VanDerWaalsContact C-N 3.33Å; Y244-K248 HydrophobicContact CE1-CD 3.77Å; Y244-K248 HydrophobicContact CE2-CD 4.3Å; Y244-K248 WeakPolarHBondContact O-CB 3.49Å; Y244-K248 PolarHBondContact O-N 3.23Å; Y244-K248 WeakPolarHBondContact OH-CD 3.46Å; Y244-K248 PolarHBondContact OH-NZ 3.18Å; Y244-V254 HydrophobicContact CD2-CB 4.48Å; Y244-V254 HydrophobicContact CD2-CG2 4Å; Y244-V254 HydrophobicContact CE2-CG2 4.11Å; Y244-V254 WeakPolarHBondContact CE2-O 3.34Å; Y244-K256 HydrophobicContact CD1-CD 4.13Å; Y244-K256 HydrophobicContact CD2-CB 3.84Å; Y244-K256 HydrophobicContact CD2-CD 4.35Å; Y244-K256 HydrophobicContact CD2-CG 4.05Å; Y244-K256 HydrophobicContact CE1-CD 4.45Å; Y244-K256 HydrophobicContact CE2-CB 4.41Å; Y244-K256 HydrophobicContact CE2-CG 4.22Å; Y244-K256 HydrophobicContact CG-CB 4.14Å; Y244-K256 HydrophobicContact CG-CD 4.07Å; Y244-K256 HydrophobicContact CG-CG 4.26Å; Y244-I282 VanDerWaalsContact CA-CD1 3.42Å; Y244-I282 HydrophobicContact CD2-CD1 4.48Å
245H97.8Very high95.9Very high114 Ų11465.3 Ų65.353%0.52830%0.302SS..Hα-helixtrans-65.1-40.7178.2-69.6-56.5000112.7E241 R242 H249E241-H245 PolarHBondContact O-CD2 2.86Å; E241-H245 PolarHBondContact O-N 2.9Å; E241-H245 IonicContact OE2-NE2 2.83Å; R242-H245 PolarHBondContact O-N 2.89Å; H245-H249 WeakPolarHBondContact O-CB 3.4Å; H245-H249 PolarHBondContact O-N 3.43Å
246L96.3Very high96.1Very high46 Ų4665.3 Ų65.324%0.24130%0.299CS..Hα-helixtrans-58.3-54.2177175.465000111.5D215 R242 L243 H249 Q250D215-L246 HydrophobicContact CB-CD2 4.18Å; R242-L246 WeakPolarHBondContact O-CB 3.34Å; R242-L246 PolarHBondContact O-N 3.47Å; L243-L246 HydrophobicContact CD2-CD2 4.5Å; L243-L246 PolarHBondContact O-N 2.79Å; L246-H249 PolarHBondContact O-N 3.24Å; L246-Q250 WeakPolarHBondContact O-CG 3.44Å; L246-Q250 PolarHBondContact O-N 3.3Å
247L96.4Very high96.2Very high0 Ų064.7 Ų64.70%029%0.293CS..Hα-helixtrans-74-35.8-174.6-64.7179.6000112.1L218 L222 I232 L243 Q250 Q251 F252 V254 I282L218-L247 HydrophobicContact CD2-CD1 4.21Å; L218-L247 HydrophobicContact CD2-CD2 4.44Å; L218-L247 HydrophobicContact CG-CD2 4.44Å; L222-L247 HydrophobicContact CD1-CD1 3.58Å; L222-L247 HydrophobicContact CD1-CD2 3.61Å; L222-L247 HydrophobicContact CD1-CG 4.21Å; I232-L247 HydrophobicContact CD1-CD1 3.56Å; L243-L247 WeakPolarHBondContact O-CB 3.3Å; L243-L247 WeakPolarHBondContact O-CG 3.22Å; L243-L247 PolarHBondContact O-N 3.12Å; L247-Q250 CarbonylContact O-C 3.59Å; L247-Q250 PolarHBondContact O-N 3.34Å; L247-Q251 PolarHBondContact O-N 3.12Å; L247-F252 HydrophobicContact CB-CB 4.32Å; L247-F252 HydrophobicContact CB-CD2 4.12Å; L247-F252 HydrophobicContact CD2-CD2 3.85Å; L247-F252 HydrophobicContact CD2-CE2 4.05Å; L247-F252 WeakPolarHBondContact O-CD2 3.42Å; L247-F252 PolarHBondContact O-N 2.75Å; L247-V254 HydrophobicContact CB-CG1 3.83Å; L247-V254 HydrophobicContact CB-CG2 4.32Å; L247-V254 HydrophobicContact CD1-CG1 4.21Å; L247-I282 HydrophobicContact CD1-CD1 3.88Å; L247-I282 HydrophobicContact CD1-CG1 4.43Å
248K96.2Very high96.2Very high116 Ų11658.3 Ų58.350%0.50427%0.269SS..Hα-helixtrans-64.8-39.9173.9-171.4170.2-173177.50111.9Y244 Q250 Q251 V254Y244-K248 HydrophobicContact CE1-CD 3.77Å; Y244-K248 HydrophobicContact CE2-CD 4.3Å; Y244-K248 WeakPolarHBondContact O-CB 3.49Å; Y244-K248 PolarHBondContact O-N 3.23Å; Y244-K248 WeakPolarHBondContact OH-CD 3.46Å; Y244-K248 PolarHBondContact OH-NZ 3.18Å; K248-Q250 PolarHBondContact O-N 3.41Å; K248-Q251 WeakPolarHBondContact O-CA 3.44Å; K248-Q251 PolarHBondContact O-N 2.99Å; K248-V254 HydrophobicContact CB-CG2 3.81Å
249H95.5Very high95.8Very high163 Ų16351.9 Ų51.976%0.75525%0.254SS*.Hα-helixtrans-61.7-34.4174.2177.8-84.9000111.8H245 L246 Q251H245-H249 WeakPolarHBondContact O-CB 3.4Å; H245-H249 PolarHBondContact O-N 3.43Å; L246-H249 PolarHBondContact O-N 3.24Å; H249-Q251 PolarHBondContact O-N 3.47Å
250Q92.5Very high95.5Very high69 Ų6952.2 Ų52.232%0.32227%0.266SS..THydrogen-bonded Turntrans-81.512.2173.6-64.6177.53.100113.8T219 L246 L247 K248 F252T219-Q250 PolarHBondContact OG1-NE2 3.18Å; T219-Q250 PolarHBondContact OG1-OE1 2.91Å; T219-Q250 VanDerWaalsContact OG1-OE1 3.14Å; L246-Q250 WeakPolarHBondContact O-CG 3.44Å; L246-Q250 PolarHBondContact O-N 3.3Å; L247-Q250 CarbonylContact O-C 3.59Å; L247-Q250 PolarHBondContact O-N 3.34Å; K248-Q250 PolarHBondContact O-N 3.41Å; Q250-F252 VanDerWaalsContact C-N 3.29Å; Q250-F252 HydrophobicContact CB-CD2 3.87Å; Q250-F252 HydrophobicContact CB-CE2 3.93Å; Q250-F252 PolarHBondContact O-N 2.72Å
251Q93.5Very high95.2Very high184 Ų18452.9 Ų52.986%0.8627%0.27SS*.THydrogen-bonded Turntrans65.722.5175.2-53.5-179.2-29.400115.3L247 K248 H249L247-Q251 PolarHBondContact O-N 3.12Å; K248-Q251 WeakPolarHBondContact O-CA 3.44Å; K248-Q251 PolarHBondContact O-N 2.99Å; H249-Q251 PolarHBondContact O-N 3.47Å
252F94.8Very high94.9Very high27 Ų2755 Ų5512%0.11828%0.283CS..  trans-72.9146.4168.7-68.5-73.1000111.5T219 L222 K223 Q226 L247 Q250 V254T219-F252 HydrophobicContact CG2-CE2 4.44Å; L222-F252 HydrophobicContact CB-CD1 4.08Å; L222-F252 HydrophobicContact CB-CE1 3.49Å; L222-F252 VanDerWaalsContact CB-CE1 3.49Å; L222-F252 HydrophobicContact CB-CE2 4.26Å; L222-F252 HydrophobicContact CB-CZ 3.57Å; K223-F252 HydrophobicContact CG-CE1 4.34Å; K223-F252 HydrophobicContact CG-CZ 3.8Å; Q226-F252 HydrophobicContact CG-CE1 4.42Å; L247-F252 HydrophobicContact CB-CB 4.32Å; L247-F252 HydrophobicContact CB-CD2 4.12Å; L247-F252 HydrophobicContact CD2-CD2 3.85Å; L247-F252 HydrophobicContact CD2-CE2 4.05Å; L247-F252 WeakPolarHBondContact O-CD2 3.42Å; L247-F252 PolarHBondContact O-N 2.75Å; Q250-F252 VanDerWaalsContact C-N 3.29Å; Q250-F252 HydrophobicContact CB-CD2 3.87Å; Q250-F252 HydrophobicContact CB-CE2 3.93Å; Q250-F252 PolarHBondContact O-N 2.72Å; F252-V254 HydrophobicContact CB-CG1 3.88Å; F252-V254 PolarHBondContact O-N 3.44Å
253S94.6Very high94.3Very high53 Ų5355.3 Ų55.337%0.37129%0.291SS..  trans-76.590.1171.5-178.50000109.9I278 Q279 V280S253-I278 WeakPolarHBondContact OG-CA 3.5Å; S253-Q279 PolarHBondContact O-N 3.11Å; S253-Q279 PolarHBondContact OG-N 2.96Å; S253-V280 PolarHBondContact O-N 2.97Å
254V97.2Very high93.9Very high11 Ų1158.5 Ų58.57%0.06732%0.317CS..EExtended strand (participates in β ladder)trans-122.4141.5-174.4-67.60000113.1Y244 L247 K248 F252 V280 I282Y244-V254 HydrophobicContact CD2-CB 4.48Å; Y244-V254 HydrophobicContact CD2-CG2 4Å; Y244-V254 HydrophobicContact CE2-CG2 4.11Å; Y244-V254 WeakPolarHBondContact CE2-O 3.34Å; L247-V254 HydrophobicContact CB-CG1 3.83Å; L247-V254 HydrophobicContact CB-CG2 4.32Å; L247-V254 HydrophobicContact CD1-CG1 4.21Å; K248-V254 HydrophobicContact CB-CG2 3.81Å; F252-V254 HydrophobicContact CB-CG1 3.88Å; F252-V254 PolarHBondContact O-N 3.44Å; V254-V280 CarbonylContact C-O 3.27Å; V254-V280 VanDerWaalsContact CA-O 3.25Å; V254-V280 WeakPolarHBondContact CA-O 3.4Å; V254-V280 HydrophobicContact CG1-CB 3.96Å; V254-V280 HydrophobicContact CG1-CG1 4.23Å; V254-I282 HydrophobicContact CB-CD1 4.07Å; V254-I282 HydrophobicContact CG1-CD1 4.14Å
255G96.4Very high93.7Very high2 Ų260.1 Ų60.12%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-115.4174.8163.200000111.8I278 V280 M281 I282G255-I278 VanDerWaalsContact CA-CD1 3.5Å; G255-V280 PolarHBondContact N-O 2.91Å; G255-M281 VanDerWaalsContact C-SD 3.6Å; G255-I282 PolarHBondContact O-N 3.03Å
256K97Very high93.3Very high24 Ų2458 Ų5810%0.10431%0.314CS..EExtended strand (participates in β ladder)trans-132.6148.7176.758.9171.6178.8175.50112.8V240 E241 Y244 L261 E265 N269 M281 I282V240-K256 HydrophobicContact CG1-CB 3.93Å; E241-K256 IonicContact OE1-NZ 3.93Å; E241-K256 PolarHBondContact OE1-NZ 3.39Å; E241-K256 VanDerWaalsContact OE2-CD 3.32Å; E241-K256 WeakPolarHBondContact OE2-CD 3.5Å; E241-K256 IonicContact OE2-NZ 3.13Å; E241-K256 PolarHBondContact OE2-NZ 3.17Å; Y244-K256 HydrophobicContact CD1-CD 4.13Å; Y244-K256 HydrophobicContact CD2-CB 3.84Å; Y244-K256 HydrophobicContact CD2-CD 4.35Å; Y244-K256 HydrophobicContact CD2-CG 4.05Å; Y244-K256 HydrophobicContact CE1-CD 4.45Å; Y244-K256 HydrophobicContact CE2-CB 4.41Å; Y244-K256 HydrophobicContact CE2-CG 4.22Å; Y244-K256 HydrophobicContact CG-CB 4.14Å; Y244-K256 HydrophobicContact CG-CD 4.07Å; Y244-K256 HydrophobicContact CG-CG 4.26Å; K256-L261 HydrophobicContact CD-CD2 4.35Å; K256-L261 HydrophobicContact CG-CD1 4.18Å; K256-L261 WeakPolarHBondContact O-CD1 3.43Å; K256-E265 WeakPolarHBondContact CE-OE1 3.23Å; K256-N269 PolarHBondContact O-ND2 3.07Å; K256-M281 VanDerWaalsContact C-SD 3.53Å; K256-I282 CarbonylContact C-O 3.53Å; K256-I282 WeakPolarHBondContact CA-O 3.36Å
257Y94.9Very high92.7Very high25 Ų2561.7 Ų61.710%0.09833%0.331CS..EExtended strand (participates in β ladder)trans-144.8119.3175.1-167.7-78.7000112.3R266 I282 A283 T284 A286 F287Y257-R266 HydrophobicContact CD2-CB 4.15Å; Y257-R266 HydrophobicContact CD2-CG 4.23Å; Y257-R266 HydrophobicContact CE2-CB 3.61Å; Y257-R266 HydrophobicContact CE2-CG 3.9Å; Y257-I282 PolarHBondContact N-O 3.41Å; Y257-A283 CarbonylContact O-C 3.58Å; Y257-A283 WeakPolarHBondContact O-CA 3.46Å; Y257-A283 WeakPolarHBondContact O-CB 3.45Å; Y257-T284 PolarHBondContact O-N 3.21Å; Y257-A286 HydrophobicContact CD1-CB 4.48Å; Y257-A286 HydrophobicContact CE1-CB 4.08Å; Y257-A286 WeakPolarHBondContact CE1-O 3.29Å; Y257-F287 HydrophobicContact CD1-CB 3.65Å; Y257-F287 AromaticContact CD1-CD2 3.93Å; Y257-F287 HydrophobicContact CD1-CD2 3.93Å; Y257-F287 HydrophobicContact CD1-CG 4.31Å; Y257-F287 AromaticContact CD2-CD2 3.69Å; Y257-F287 HydrophobicContact CD2-CD2 3.69Å; Y257-F287 HydrophobicContact CD2-CE2 4.25Å; Y257-F287 HydrophobicContact CE1-CB 4.22Å; Y257-F287 HydrophobicContact CE1-CD2 4.5Å; Y257-F287 HydrophobicContact CE2-CD2 4.28Å; Y257-F287 HydrophobicContact CG-CB 4.03Å; Y257-F287 AromaticContact CG-CD2 3.48Å; Y257-F287 HydrophobicContact CG-CD2 3.48Å; Y257-F287 VanDerWaalsContact CG-CD2 3.48Å; Y257-F287 HydrophobicContact CG-CE2 4.34Å; Y257-F287 HydrophobicContact CG-CG 4.23Å
258H94.3Very high92.4Very high8 Ų866 Ų664%0.03735%0.351CS..  trans-155.7162.3170.358.483.8000110.6R237 E241 G260 L261 T284R237-H258 HydrophobicContact CG-CB 4.08Å; E241-H258 IonicContact OE1-CE1 3.25Å; E241-H258 IonicContact OE1-NE2 3.99Å; E241-H258 PolarHBondContact OE1-NE2 3.3Å; E241-H258 VanDerWaalsContact OE1-NE2 3.09Å; H258-G260 WeakPolarHBondContact ND1-CA 3.48Å; H258-G260 PolarHBondContact ND1-N 3.04Å; H258-G260 VanDerWaalsContact ND1-N 3.13Å; H258-G260 PolarHBondContact O-N 3.36Å; H258-L261 WeakPolarHBondContact NE2-CD2 3.4Å; H258-L261 PolarHBondContact O-N 3.18Å; H258-L261 VanDerWaalsContact O-N 3.11Å; H258-T284 HydrophobicContact CB-CG2 3.87Å
259G87.9Confident92.2Very high43 Ų4361.6 Ų61.644%0.44333%0.333SS..THydrogen-bonded Turntrans-68.613.9-178.600000116R237R237-G259 PolarHBondContact NH2-O 3.19Å
260G90.6Very high91.8Very high43 Ų4355.4 Ų55.444%0.44330%0.304SS..THydrogen-bonded Turntrans-105-10.4172.100000113.2H258H258-G260 WeakPolarHBondContact ND1-CA 3.48Å; H258-G260 PolarHBondContact ND1-N 3.04Å; H258-G260 VanDerWaalsContact ND1-N 3.13Å; H258-G260 PolarHBondContact O-N 3.36Å
261L91.2Very high91.4Very high15 Ų1555.6 Ų55.68%0.07931%0.306CS..SBendtrans-78.2148.8173-57.9-179.7000109.5K256 H258 E265 R266K256-L261 HydrophobicContact CD-CD2 4.35Å; K256-L261 HydrophobicContact CG-CD1 4.18Å; K256-L261 WeakPolarHBondContact O-CD1 3.43Å; H258-L261 WeakPolarHBondContact NE2-CD2 3.4Å; H258-L261 PolarHBondContact O-N 3.18Å; H258-L261 VanDerWaalsContact O-N 3.11Å; L261-E265 HydrophobicContact CB-CB 4.49Å; L261-E265 HydrophobicContact CD1-CG 4.38Å; L261-R266 HydrophobicContact CB-CG 3.65Å; L261-R266 HydrophobicContact CD1-CG 4.38Å
262N92.6Very high91.2Very high90 Ų9048.2 Ų48.248%0.48127%0.272SS..  trans-68.8162.3171.565.866.3000110.9A264 E265 R266N262-A264 VanDerWaalsContact C-N 3.31Å; N262-A264 PolarHBondContact O-N 3.3Å; N262-A264 PolarHBondContact OD1-N 2.88Å; N262-E265 PolarHBondContact O-N 3.47Å; N262-E265 WeakPolarHBondContact OD1-CB 3.21Å; N262-E265 PolarHBondContact OD1-N 2.78Å; N262-R266 WeakPolarHBondContact O-CG 3.44Å; N262-R266 PolarHBondContact O-N 3.35Å
263D85.6Confident91Very high97 Ų9746.9 Ų46.952%0.51927%0.266SS..Hα-helixtrans-61.1-38.6-174.2-66.9-2.5000113R266 M267D263-R266 PolarHBondContact O-N 3.5Å; D263-R266 IonicContact OD1-CZ 2.86Å; D263-R266 IonicContact OD1-NE 2.76Å; D263-R266 IonicContact OD1-NH2 3.55Å; D263-R266 PolarHBondContact OD1-NH2 2.64Å; D263-M267 HydrophobicContact CB-CE 3.98Å; D263-M267 WeakPolarHBondContact O-CB 3.28Å; D263-M267 VanDerWaalsContact O-CE 3.28Å; D263-M267 WeakPolarHBondContact O-CE 3.49Å; D263-M267 WeakPolarHBondContact O-CG 3.39Å; D263-M267 PolarHBondContact O-N 3.33Å
264A88.7Confident90.5Very high67 Ų6747 Ų4755%0.55426%0.262SS*.Hα-helixtrans-64.6-45.1179.100000111.8N262 M267 Q268N262-A264 VanDerWaalsContact C-N 3.31Å; N262-A264 PolarHBondContact O-N 3.3Å; N262-A264 PolarHBondContact OD1-N 2.88Å; A264-M267 PolarHBondContact O-N 3Å; A264-Q268 WeakPolarHBondContact O-CB 3.39Å; A264-Q268 PolarHBondContact O-N 2.87Å
265E92.9Very high89.8Confident65 Ų6552.8 Ų52.830%0.30429%0.287SS..Hα-helixtrans-67.3-38.7178.3-171.5177.8174.200111.9K256 L261 N262 Q268 N269K256-E265 WeakPolarHBondContact CE-OE1 3.23Å; L261-E265 HydrophobicContact CB-CB 4.49Å; L261-E265 HydrophobicContact CD1-CG 4.38Å; N262-E265 PolarHBondContact O-N 3.47Å; N262-E265 WeakPolarHBondContact OD1-CB 3.21Å; N262-E265 PolarHBondContact OD1-N 2.78Å; E265-Q268 PolarHBondContact O-N 3.39Å; E265-N269 WeakPolarHBondContact O-CB 3.16Å; E265-N269 PolarHBondContact O-N 3.39Å
266R89.4Confident89.1Confident71 Ų7155.6 Ų55.627%0.26830%0.301SS..Hα-helixtrans-60.7-48173.6-73.5-166.6-67.8159.7-6.9111.7Y257 L261 N262 D263 Q270Y257-R266 HydrophobicContact CD2-CB 4.15Å; Y257-R266 HydrophobicContact CD2-CG 4.23Å; Y257-R266 HydrophobicContact CE2-CB 3.61Å; Y257-R266 HydrophobicContact CE2-CG 3.9Å; L261-R266 HydrophobicContact CB-CG 3.65Å; L261-R266 HydrophobicContact CD1-CG 4.38Å; N262-R266 WeakPolarHBondContact O-CG 3.44Å; N262-R266 PolarHBondContact O-N 3.35Å; D263-R266 PolarHBondContact O-N 3.5Å; D263-R266 IonicContact OD1-CZ 2.86Å; D263-R266 IonicContact OD1-NE 2.76Å; D263-R266 IonicContact OD1-NH2 3.55Å; D263-R266 PolarHBondContact OD1-NH2 2.64Å; R266-Q270 VanDerWaalsContact O-CB 3.28Å; R266-Q270 WeakPolarHBondContact O-CB 3.42Å; R266-Q270 PolarHBondContact O-N 3.33Å
267M84.2Confident88.6Confident123 Ų12360.6 Ų60.661%0.60632%0.32SS*.Hα-helixtrans-62.2-46.5177.7-78.4-175.4-86.600111.3D263 A264 Q270 E271D263-M267 HydrophobicContact CB-CE 3.98Å; D263-M267 WeakPolarHBondContact O-CB 3.28Å; D263-M267 VanDerWaalsContact O-CE 3.28Å; D263-M267 WeakPolarHBondContact O-CE 3.49Å; D263-M267 WeakPolarHBondContact O-CG 3.39Å; D263-M267 PolarHBondContact O-N 3.33Å; A264-M267 PolarHBondContact O-N 3Å; M267-Q270 PolarHBondContact O-N 3.46Å; M267-E271 VanDerWaalsContact O-CB 3.27Å; M267-E271 WeakPolarHBondContact O-CB 3.27Å; M267-E271 PolarHBondContact O-N 2.88Å
268Q90.3Very high88.5Confident90 Ų9060.4 Ų60.442%0.42132%0.32SS..Hα-helixtrans-60.6-49.2179.5-173.663.45600112A264 E265 Q270 E271 D272A264-Q268 WeakPolarHBondContact O-CB 3.39Å; A264-Q268 PolarHBondContact O-N 2.87Å; E265-Q268 PolarHBondContact O-N 3.39Å; Q268-Q270 VanDerWaalsContact C-N 3.34Å; Q268-Q270 PolarHBondContact O-N 2.9Å; Q268-E271 WeakPolarHBondContact O-CB 3.47Å; Q268-E271 PolarHBondContact O-N 3.12Å; Q268-D272 VanDerWaalsContact NE2-CG 3.32Å; Q268-D272 PolarHBondContact NE2-OD1 3.41Å; Q268-D272 PolarHBondContact NE2-OD2 3.36Å; Q268-D272 WeakPolarHBondContact O-CB 3.13Å; Q268-D272 PolarHBondContact O-N 3.36Å
269N92.6Very high88.3Confident24 Ų2462.1 Ų62.113%0.12833%0.328CS..Hα-helixtrans-65.8-38.2-179.9-73.9-15.1000111.8K256 E265 F273 M281K256-N269 PolarHBondContact O-ND2 3.07Å; E265-N269 WeakPolarHBondContact O-CB 3.16Å; E265-N269 PolarHBondContact O-N 3.39Å; N269-F273 WeakPolarHBondContact O-CB 3.42Å; N269-F273 PolarHBondContact O-N 3.27Å; N269-F273 VanDerWaalsContact O-N 3.09Å; N269-M281 HydrophobicContact CB-CE 4.1Å; N269-M281 WeakPolarHBondContact O-CE 3.12Å
270Q86.5Confident88.6Confident32 Ų3260.5 Ų60.515%0.1531%0.309CS..Hα-helixtrans-63.3-45174.2172.5170.3-23.400111.3R266 M267 Q268 F273 L274 I291R266-Q270 VanDerWaalsContact O-CB 3.28Å; R266-Q270 WeakPolarHBondContact O-CB 3.42Å; R266-Q270 PolarHBondContact O-N 3.33Å; M267-Q270 PolarHBondContact O-N 3.46Å; Q268-Q270 VanDerWaalsContact C-N 3.34Å; Q268-Q270 PolarHBondContact O-N 2.9Å; Q270-F273 PolarHBondContact O-N 2.98Å; Q270-L274 HydrophobicContact CG-CD1 4.04Å; Q270-L274 WeakPolarHBondContact O-CG 3.35Å; Q270-L274 PolarHBondContact O-N 2.95Å; Q270-I291 HydrophobicContact CB-CD1 4.46Å; Q270-I291 HydrophobicContact CG-CD1 3.71Å; Q270-I291 HydrophobicContact CG-CG1 3.91Å
271E85Confident88.9Confident74 Ų7458.4 Ų58.435%0.34629%0.288SS..Hα-helixtrans-59.9-50.6176.2-178179.2138.100111M267 Q268 F273 L274 F275 R277M267-E271 VanDerWaalsContact O-CB 3.27Å; M267-E271 WeakPolarHBondContact O-CB 3.27Å; M267-E271 PolarHBondContact O-N 2.88Å; Q268-E271 WeakPolarHBondContact O-CB 3.47Å; Q268-E271 PolarHBondContact O-N 3.12Å; E271-F273 PolarHBondContact O-N 3.06Å; E271-L274 WeakPolarHBondContact O-CB 3.42Å; E271-L274 PolarHBondContact O-N 2.91Å; E271-F275 HydrophobicContact CG-CD2 3.38Å; E271-F275 HydrophobicContact CG-CE2 3.48Å; E271-F275 VanDerWaalsContact CG-CE2 3.48Å; E271-F275 VanDerWaalsContact O-CD2 3.27Å; E271-F275 WeakPolarHBondContact O-CD2 3.37Å; E271-F275 PolarHBondContact O-N 3.41Å; E271-R277 IonicContact OE1-CZ 2.86Å; E271-R277 IonicContact OE1-NH1 3.8Å; E271-R277 PolarHBondContact OE1-NH1 3.34Å; E271-R277 IonicContact OE1-NH2 2.69Å; E271-R277 PolarHBondContact OE1-NH2 3Å; E271-R277 VanDerWaalsContact OE1-NH2 3.13Å
272D89.1Confident89.2Confident28 Ų2857.7 Ų57.715%0.1528%0.284CS..Hα-helixtrans-60.1-33.4-179-70.5-18.6000111.9Q268 D276 R277 I278Q268-D272 VanDerWaalsContact NE2-CG 3.32Å; Q268-D272 PolarHBondContact NE2-OD1 3.41Å; Q268-D272 PolarHBondContact NE2-OD2 3.36Å; Q268-D272 WeakPolarHBondContact O-CB 3.13Å; Q268-D272 PolarHBondContact O-N 3.36Å; D272-D276 PolarHBondContact O-N 3.32Å; D272-R277 HydrophobicContact CB-CB 4.04Å; D272-R277 WeakPolarHBondContact O-CA 3.28Å; D272-R277 WeakPolarHBondContact O-CB 3.26Å; D272-R277 PolarHBondContact O-N 2.92Å; D272-R277 VanDerWaalsContact OD1-CD 3.25Å; D272-R277 WeakPolarHBondContact OD1-CD 3.07Å; D272-R277 IonicContact OD1-CZ 3.88Å; D272-R277 IonicContact OD1-NE 3.02Å; D272-R277 IonicContact OD1-NH1 2.93Å; D272-R277 PolarHBondContact OD1-NH1 2.7Å; D272-I278 HydrophobicContact CB-CD1 4.24Å; D272-I278 HydrophobicContact CB-CG1 3.92Å; D272-I278 HydrophobicContact CB-CG2 4.38Å; D272-I278 PolarHBondContact O-N 2.88Å
273F89.4Confident89.3Confident0 Ų053.4 Ų53.40%026%0.261CS..Hα-helixtrans-73.9-40.9174.1-177.9-109.9000112.7S229 G230 I231 N269 Q270 E271 F275 D276 I278 Q279 M281 F287 I291 K293 V296S229-F273 VanDerWaalsContact OG-CE2 3.3Å; S229-F273 WeakPolarHBondContact OG-CE2 3.17Å; S229-F273 WeakPolarHBondContact OG-CZ 3.31Å; G230-F273 WeakPolarHBondContact O-CE2 3.48Å; I231-F273 HydrophobicContact CD1-CE1 4.39Å; I231-F273 HydrophobicContact CD1-CZ 4.37Å; I231-F273 HydrophobicContact CG1-CE1 4.21Å; I231-F273 HydrophobicContact CG1-CZ 3.76Å; N269-F273 WeakPolarHBondContact O-CB 3.42Å; N269-F273 PolarHBondContact O-N 3.27Å; N269-F273 VanDerWaalsContact O-N 3.09Å; Q270-F273 PolarHBondContact O-N 2.98Å; E271-F273 PolarHBondContact O-N 3.06Å; F273-F275 VanDerWaalsContact C-N 3.33Å; F273-F275 PolarHBondContact O-N 2.93Å; F273-D276 PolarHBondContact O-N 2.8Å; F273-I278 HydrophobicContact CB-CD1 3.95Å; F273-I278 HydrophobicContact CB-CG1 3.84Å; F273-I278 HydrophobicContact CD2-CG1 4.4Å; F273-Q279 WeakPolarHBondContact CE2-O 3.19Å; F273-M281 HydrophobicContact CB-CE 3.7Å; F273-M281 HydrophobicContact CD2-CB 3.96Å; F273-M281 HydrophobicContact CE2-CB 4.04Å; F273-M281 HydrophobicContact CG-CB 4.22Å; F273-M281 HydrophobicContact CG-CE 4.2Å; F273-M281 HydrophobicContact CZ-CB 4.39Å; F273-F287 HydrophobicContact CD1-CE1 4.3Å; F273-F287 AromaticContact CD1-CZ 3.66Å; F273-F287 HydrophobicContact CD1-CZ 3.66Å; F273-F287 HydrophobicContact CE1-CE1 4.14Å; F273-F287 AromaticContact CE1-CZ 3.97Å; F273-F287 HydrophobicContact CE1-CZ 3.97Å; F273-F287 HydrophobicContact CG-CZ 4.27Å; F273-I291 HydrophobicContact CE1-CG2 4.45Å; F273-K293 HydrophobicContact CD1-CD 3.93Å; F273-K293 HydrophobicContact CE1-CB 4.49Å; F273-K293 HydrophobicContact CE1-CD 3.61Å; F273-K293 HydrophobicContact CZ-CD 3.97Å; F273-K293 WeakPolarHBondContact O-CE 3.31Å; F273-K293 PolarHBondContact O-NZ 2.88Å; F273-V296 HydrophobicContact CE1-CG2 4.4Å; F273-V296 HydrophobicContact CZ-CG2 4.15Å
274L83.9Confident89.7Confident55 Ų5549.4 Ų49.429%0.28824%0.24SC..Hα-helixtrans-60.5-45.1176.8-78.5169.3000111.2Q270 E271 D276 I291 K293Q270-L274 HydrophobicContact CG-CD1 4.04Å; Q270-L274 WeakPolarHBondContact O-CG 3.35Å; Q270-L274 PolarHBondContact O-N 2.95Å; E271-L274 WeakPolarHBondContact O-CB 3.42Å; E271-L274 PolarHBondContact O-N 2.91Å; L274-D276 VanDerWaalsContact C-N 3.27Å; L274-D276 PolarHBondContact O-N 2.62Å; L274-I291 HydrophobicContact CD2-CG2 3.95Å; L274-K293 HydrophobicContact CD2-CB 4.28Å; L274-K293 PolarHBondContact O-NZ 2.83Å; L274-K293 VanDerWaalsContact O-NZ 3.11Å
275F82.5Confident89.4Confident133 Ų13351.1 Ų51.158%0.58324%0.24SC*.THydrogen-bonded Turntrans-85.214179.4-69.2-70.1000114.4E271 F273 R277E271-F275 HydrophobicContact CG-CD2 3.38Å; E271-F275 HydrophobicContact CG-CE2 3.48Å; E271-F275 VanDerWaalsContact CG-CE2 3.48Å; E271-F275 VanDerWaalsContact O-CD2 3.27Å; E271-F275 WeakPolarHBondContact O-CD2 3.37Å; E271-F275 PolarHBondContact O-N 3.41Å; F273-F275 VanDerWaalsContact C-N 3.33Å; F273-F275 PolarHBondContact O-N 2.93Å; F275-R277 HydrophobicContact CB-CG 4.24Å; F275-R277 PolarHBondContact O-N 3.43Å
276D83.4Confident88.8Confident61 Ų6149.9 Ų49.933%0.32624%0.241SC..THydrogen-bonded Turntrans57.718.4177.1-64.1-63.9000114.8D272 F273 L274 I278 Q279 K293 N295D272-D276 PolarHBondContact O-N 3.32Å; F273-D276 PolarHBondContact O-N 2.8Å; L274-D276 VanDerWaalsContact C-N 3.27Å; L274-D276 PolarHBondContact O-N 2.62Å; D276-I278 VanDerWaalsContact C-N 3.3Å; D276-Q279 PolarHBondContact O-NE2 3.49Å; D276-K293 WeakPolarHBondContact OD1-CE 3.49Å; D276-K293 IonicContact OD1-NZ 3.48Å; D276-K293 PolarHBondContact OD1-NZ 3.39Å; D276-K293 IonicContact OD2-NZ 3.75Å; D276-K293 PolarHBondContact OD2-NZ 3.33Å; D276-N295 PolarHBondContact OD1-ND2 2.85Å
277R86.4Confident88.5Confident129 Ų12946.6 Ų46.649%0.48723%0.229SC..SBendtrans-69.4-33.1171.9-57.9176.4-168146.33.8110.7E271 D272 F275E271-R277 IonicContact OE1-CZ 2.86Å; E271-R277 IonicContact OE1-NH1 3.8Å; E271-R277 PolarHBondContact OE1-NH1 3.34Å; E271-R277 IonicContact OE1-NH2 2.69Å; E271-R277 PolarHBondContact OE1-NH2 3Å; E271-R277 VanDerWaalsContact OE1-NH2 3.13Å; D272-R277 HydrophobicContact CB-CB 4.04Å; D272-R277 WeakPolarHBondContact O-CA 3.28Å; D272-R277 WeakPolarHBondContact O-CB 3.26Å; D272-R277 PolarHBondContact O-N 2.92Å; D272-R277 VanDerWaalsContact OD1-CD 3.25Å; D272-R277 WeakPolarHBondContact OD1-CD 3.07Å; D272-R277 IonicContact OD1-CZ 3.88Å; D272-R277 IonicContact OD1-NE 3.02Å; D272-R277 IonicContact OD1-NH1 2.93Å; D272-R277 PolarHBondContact OD1-NH1 2.7Å; F275-R277 HydrophobicContact CB-CG 4.24Å; F275-R277 PolarHBondContact O-N 3.43Å
278I91.5Very high87.4Confident21 Ų2141 Ų4111%0.10820%0.202CC..SBendtrans-115.6139.1164.258.8171.9000110.7S253 G255 D272 F273 D276 M281S253-I278 WeakPolarHBondContact OG-CA 3.5Å; G255-I278 VanDerWaalsContact CA-CD1 3.5Å; D272-I278 HydrophobicContact CB-CD1 4.24Å; D272-I278 HydrophobicContact CB-CG1 3.92Å; D272-I278 HydrophobicContact CB-CG2 4.38Å; D272-I278 PolarHBondContact O-N 2.88Å; F273-I278 HydrophobicContact CB-CD1 3.95Å; F273-I278 HydrophobicContact CB-CG1 3.84Å; F273-I278 HydrophobicContact CD2-CG1 4.4Å; D276-I278 VanDerWaalsContact C-N 3.3Å; I278-M281 HydrophobicContact CD1-CE 3.49Å; I278-M281 VanDerWaalsContact CD1-CE 3.49Å
279Q89.8Confident85.8Confident44 Ų4439 Ų3921%0.20619%0.194CC..SBendtrans-88.7-37.4-175-65.7-61-43.400111.8G227 S229 G230 S253 F273 D276G227-Q279 PolarHBondContact O-OE1 2.82Å; S229-Q279 CarbonylContact C-O 3.5Å; S229-Q279 WeakPolarHBondContact CA-O 3.25Å; S229-Q279 PolarHBondContact OG-O 2.79Å; G230-Q279 PolarHBondContact N-O 3.06Å; S253-Q279 PolarHBondContact O-N 3.11Å; S253-Q279 PolarHBondContact OG-N 2.96Å; F273-Q279 WeakPolarHBondContact CE2-O 3.19Å; D276-Q279 PolarHBondContact O-NE2 3.49Å
280V95.3Very high84Confident8 Ų838.1 Ų38.15%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-120.9123.9-174.5179.10000110.6L222 G230 I232 S253 V254 G255 F298L222-V280 HydrophobicContact CD2-CG2 4.06Å; G230-V280 WeakPolarHBondContact O-CA 3.42Å; I232-V280 HydrophobicContact CD1-CG1 3.52Å; I232-V280 HydrophobicContact CG1-CG1 3.91Å; S253-V280 PolarHBondContact O-N 2.97Å; V254-V280 CarbonylContact C-O 3.27Å; V254-V280 VanDerWaalsContact CA-O 3.25Å; V254-V280 WeakPolarHBondContact CA-O 3.4Å; V254-V280 HydrophobicContact CG1-CB 3.96Å; V254-V280 HydrophobicContact CG1-CG1 4.23Å; G255-V280 PolarHBondContact N-O 2.91Å; V280-F298 HydrophobicContact CG2-CE2 4.46Å; V280-F298 HydrophobicContact CG2-CZ 3.94Å
281M95.7Very high83.1Confident0 Ų036.8 Ų36.80%018%0.184CC..EExtended strand (participates in β ladder)trans-95.9130.1170.3-176.763.658.300110.6G230 I231 I232 G255 K256 N269 F273 I278 A283 F287G230-M281 PolarHBondContact O-N 3.4Å; I231-M281 CarbonylContact C-O 3.57Å; I231-M281 WeakPolarHBondContact CA-O 3.45Å; I232-M281 PolarHBondContact N-O 2.89Å; G255-M281 VanDerWaalsContact C-SD 3.6Å; K256-M281 VanDerWaalsContact C-SD 3.53Å; N269-M281 HydrophobicContact CB-CE 4.1Å; N269-M281 WeakPolarHBondContact O-CE 3.12Å; F273-M281 HydrophobicContact CB-CE 3.7Å; F273-M281 HydrophobicContact CD2-CB 3.96Å; F273-M281 HydrophobicContact CE2-CB 4.04Å; F273-M281 HydrophobicContact CG-CB 4.22Å; F273-M281 HydrophobicContact CG-CE 4.2Å; F273-M281 HydrophobicContact CZ-CB 4.39Å; I278-M281 HydrophobicContact CD1-CE 3.49Å; I278-M281 VanDerWaalsContact CD1-CE 3.49Å; M281-A283 HydrophobicContact CG-CB 4.1Å; M281-F287 HydrophobicContact CB-CE1 3.87Å; M281-F287 HydrophobicContact CB-CE2 4.37Å; M281-F287 HydrophobicContact CB-CZ 3.69Å; M281-F287 HydrophobicContact CE-CE2 3.75Å; M281-F287 HydrophobicContact CE-CZ 3.94Å; M281-F287 HydrophobicContact CG-CD1 4.05Å; M281-F287 HydrophobicContact CG-CD2 4.02Å; M281-F287 HydrophobicContact CG-CE1 3.64Å; M281-F287 HydrophobicContact CG-CE2 3.55Å; M281-F287 HydrophobicContact CG-CG 4.22Å; M281-F287 HydrophobicContact CG-CZ 3.34Å; M281-F287 HydrophobicContact SD-CE2 4.03Å; M281-F287 HydrophobicContact SD-CZ 4.31Å
282I97.7Very high82.3Confident0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-105.4119.6171.1-53161.7000108.3I232 V240 L243 Y244 L247 V254 G255 K256 Y257I232-I282 HydrophobicContact CB-CG1 4.25Å; I232-I282 HydrophobicContact CB-CG2 4.41Å; I232-I282 HydrophobicContact CD1-CG1 4.09Å; I232-I282 HydrophobicContact CG2-CG2 4.46Å; I232-I282 CarbonylContact O-C 3.5Å; I232-I282 WeakPolarHBondContact O-CA 3.45Å; V240-I282 HydrophobicContact CB-CG2 4.35Å; V240-I282 HydrophobicContact CG1-CB 4.46Å; V240-I282 HydrophobicContact CG1-CG2 4Å; V240-I282 WeakPolarHBondContact CG1-O 3.06Å; V240-I282 HydrophobicContact CG2-CG2 4.44Å; L243-I282 HydrophobicContact CB-CD1 4.28Å; L243-I282 HydrophobicContact CB-CG2 3.87Å; L243-I282 HydrophobicContact CD1-CG2 4.25Å; Y244-I282 VanDerWaalsContact CA-CD1 3.42Å; Y244-I282 HydrophobicContact CD2-CD1 4.48Å; L247-I282 HydrophobicContact CD1-CD1 3.88Å; L247-I282 HydrophobicContact CD1-CG1 4.43Å; V254-I282 HydrophobicContact CB-CD1 4.07Å; V254-I282 HydrophobicContact CG1-CD1 4.14Å; G255-I282 PolarHBondContact O-N 3.03Å; K256-I282 CarbonylContact C-O 3.53Å; K256-I282 WeakPolarHBondContact CA-O 3.36Å; Y257-I282 PolarHBondContact N-O 3.41Å
283A95.7Very high81.8Confident0 Ų036.7 Ų36.70%019%0.186CC..EExtended strand (participates in β ladder)trans-145.8158.4-168.900000115.5I232 Y233 A234 V240 Y257 M281 F287I232-A283 PolarHBondContact O-N 3.4Å; Y233-A283 CarbonylContact C-O 3.52Å; Y233-A283 VanDerWaalsContact CA-O 3.25Å; Y233-A283 WeakPolarHBondContact CA-O 3.45Å; Y233-A283 HydrophobicContact CE1-CB 4.46Å; A234-A283 PolarHBondContact N-O 3.25Å; V240-A283 VanDerWaalsContact CG2-C 3.5Å; Y257-A283 CarbonylContact O-C 3.58Å; Y257-A283 WeakPolarHBondContact O-CA 3.46Å; Y257-A283 WeakPolarHBondContact O-CB 3.45Å; M281-A283 HydrophobicContact CG-CB 4.1Å; A283-F287 HydrophobicContact CB-CB 3.32Å; A283-F287 HydrophobicContact CB-CD1 4.09Å; A283-F287 HydrophobicContact CB-CD2 4.43Å; A283-F287 HydrophobicContact CB-CG 3.74Å
284T93.2Very high81.4Confident12 Ų1239.7 Ų39.77%0.07421%0.206CC..  trans-80.2168.1158.162.40000110.1A234 V240 Y257 H258 A286 F287A234-T284 WeakPolarHBondContact O-CA 3.28Å; V240-T284 HydrophobicContact CG2-CG2 3.75Å; Y257-T284 PolarHBondContact O-N 3.21Å; H258-T284 HydrophobicContact CB-CG2 3.87Å; T284-A286 PolarHBondContact O-N 3.42Å; T284-F287 PolarHBondContact O-N 3.38Å
285N84Confident81.2Confident104 Ų10439.5 Ų39.556%0.55621%0.206SC*.G310 helixtrans-47.6-27.3174.164.5-15.7000114.1F287 G288 E314N285-F287 PolarHBondContact O-N 3.02Å; N285-G288 WeakPolarHBondContact O-CA 3.33Å; N285-G288 PolarHBondContact O-N 2.77Å; N285-E314 VanDerWaalsContact CB-OE1 3.3Å; N285-E314 WeakPolarHBondContact CB-OE1 3.42Å
286A80.1Confident81.6Confident39 Ų3933.3 Ų33.332%0.32218%0.179SC..G310 helixtrans-50.8-24.9171.700000115.7Y257 T284Y257-A286 HydrophobicContact CD1-CB 4.48Å; Y257-A286 HydrophobicContact CE1-CB 4.08Å; Y257-A286 WeakPolarHBondContact CE1-O 3.29Å; T284-A286 PolarHBondContact O-N 3.42Å
287F81.5Confident82Confident2 Ų232.2 Ų32.21%0.00917%0.17CC..G310 helixtrans-79.1-33173-174.3-107.2000112.3I231 Y233 Y257 F273 M281 A283 T284 N285 M289 G290 I291I231-F287 HydrophobicContact CD1-CD1 4.38Å; I231-F287 HydrophobicContact CD1-CE1 3.9Å; I231-F287 HydrophobicContact CG1-CE1 4.11Å; I231-F287 HydrophobicContact CG2-CD1 4.14Å; I231-F287 HydrophobicContact CG2-CE1 4.25Å; Y233-F287 HydrophobicContact CE1-CB 4.48Å; Y257-F287 HydrophobicContact CD1-CB 3.65Å; Y257-F287 AromaticContact CD1-CD2 3.93Å; Y257-F287 HydrophobicContact CD1-CD2 3.93Å; Y257-F287 HydrophobicContact CD1-CG 4.31Å; Y257-F287 AromaticContact CD2-CD2 3.69Å; Y257-F287 HydrophobicContact CD2-CD2 3.69Å; Y257-F287 HydrophobicContact CD2-CE2 4.25Å; Y257-F287 HydrophobicContact CE1-CB 4.22Å; Y257-F287 HydrophobicContact CE1-CD2 4.5Å; Y257-F287 HydrophobicContact CE2-CD2 4.28Å; Y257-F287 HydrophobicContact CG-CB 4.03Å; Y257-F287 AromaticContact CG-CD2 3.48Å; Y257-F287 HydrophobicContact CG-CD2 3.48Å; Y257-F287 VanDerWaalsContact CG-CD2 3.48Å; Y257-F287 HydrophobicContact CG-CE2 4.34Å; Y257-F287 HydrophobicContact CG-CG 4.23Å; F273-F287 HydrophobicContact CD1-CE1 4.3Å; F273-F287 AromaticContact CD1-CZ 3.66Å; F273-F287 HydrophobicContact CD1-CZ 3.66Å; F273-F287 HydrophobicContact CE1-CE1 4.14Å; F273-F287 AromaticContact CE1-CZ 3.97Å; F273-F287 HydrophobicContact CE1-CZ 3.97Å; F273-F287 HydrophobicContact CG-CZ 4.27Å; M281-F287 HydrophobicContact CB-CE1 3.87Å; M281-F287 HydrophobicContact CB-CE2 4.37Å; M281-F287 HydrophobicContact CB-CZ 3.69Å; M281-F287 HydrophobicContact CE-CE2 3.75Å; M281-F287 HydrophobicContact CE-CZ 3.94Å; M281-F287 HydrophobicContact CG-CD1 4.05Å; M281-F287 HydrophobicContact CG-CD2 4.02Å; M281-F287 HydrophobicContact CG-CE1 3.64Å; M281-F287 HydrophobicContact CG-CE2 3.55Å; M281-F287 HydrophobicContact CG-CG 4.22Å; M281-F287 HydrophobicContact CG-CZ 3.34Å; M281-F287 HydrophobicContact SD-CE2 4.03Å; M281-F287 HydrophobicContact SD-CZ 4.31Å; A283-F287 HydrophobicContact CB-CB 3.32Å; A283-F287 HydrophobicContact CB-CD1 4.09Å; A283-F287 HydrophobicContact CB-CD2 4.43Å; A283-F287 HydrophobicContact CB-CG 3.74Å; T284-F287 PolarHBondContact O-N 3.38Å; N285-F287 PolarHBondContact O-N 3.02Å; F287-M289 PolarHBondContact O-N 2.84Å; F287-G290 PolarHBondContact O-N 2.85Å; F287-I291 HydrophobicContact CD1-CD1 4.01Å; F287-I291 HydrophobicContact CD2-CD1 3.4Å; F287-I291 VanDerWaalsContact CD2-CD1 3.4Å; F287-I291 HydrophobicContact CE1-CD1 3.53Å; F287-I291 HydrophobicContact CE2-CD1 2.89Å; F287-I291 HydrophobicContact CE2-CG1 4.39Å; F287-I291 HydrophobicContact CG-CD1 3.96Å; F287-I291 HydrophobicContact CZ-CD1 2.95Å; F287-I291 HydrophobicContact CZ-CG1 4.36Å
288G60.9Low82.4Confident5 Ų526.1 Ų26.15%0.05215%0.147CC..THydrogen-bonded Turntrans-68.88.1-174.800000115.4Y233 N285 R317Y233-G288 WeakPolarHBondContact OH-CA 3.17Å; N285-G288 WeakPolarHBondContact O-CA 3.33Å; N285-G288 PolarHBondContact O-N 2.77Å; G288-R317 VanDerWaalsContact CA-NE 3.34Å; G288-R317 PolarHBondContact O-NE 3.25Å; G288-R317 VanDerWaalsContact O-NE 3.14Å; G288-R317 PolarHBondContact O-NH2 3.18Å
289M57.3Low82.6Confident48 Ų4825.1 Ų25.124%0.23614%0.142CC..THydrogen-bonded Turntrans-107.1-24.8-179.4-75.2-176.311800113.2L65 D148 F287L65-M289 HydrophobicContact CD1-CB 3.5Å; L65-M289 HydrophobicContact CD1-CE 3.93Å; L65-M289 HydrophobicContact CD1-CG 3.88Å; L65-M289 WeakPolarHBondContact CD1-O 3.34Å; L65-M289 HydrophobicContact CD1-SD 4.35Å; L65-M289 HydrophobicContact CD2-CB 3.77Å; L65-M289 HydrophobicContact CD2-CE 3.79Å; L65-M289 HydrophobicContact CD2-CG 4.19Å; L65-M289 HydrophobicContact CD2-SD 3.74Å; L65-M289 HydrophobicContact CG-CB 4.23Å; L65-M289 HydrophobicContact CG-CE 4.22Å; D148-M289 WeakPolarHBondContact OD2-CE 3.07Å; F287-M289 PolarHBondContact O-N 2.84Å
290G55.5Low82.9Confident6 Ų623 Ų236%0.06213%0.132CC..THydrogen-bonded Turntrans-106-27.6-167.900000116.7S67 D71 F287S67-G290 WeakPolarHBondContact OG-CA 3.4Å; D71-G290 VanDerWaalsContact OD2-O 3.07Å; F287-G290 PolarHBondContact O-N 2.85Å
291I66.6Low83Confident3 Ų322.7 Ų22.72%0.01513%0.13CC..  trans-97.7129.8-156.2-71.5161.5000113Q270 F273 L274 F287 K293 R317Q270-I291 HydrophobicContact CB-CD1 4.46Å; Q270-I291 HydrophobicContact CG-CD1 3.71Å; Q270-I291 HydrophobicContact CG-CG1 3.91Å; F273-I291 HydrophobicContact CE1-CG2 4.45Å; L274-I291 HydrophobicContact CD2-CG2 3.95Å; F287-I291 HydrophobicContact CD1-CD1 4.01Å; F287-I291 HydrophobicContact CD2-CD1 3.4Å; F287-I291 VanDerWaalsContact CD2-CD1 3.4Å; F287-I291 HydrophobicContact CE1-CD1 3.53Å; F287-I291 HydrophobicContact CE2-CD1 2.89Å; F287-I291 HydrophobicContact CE2-CG1 4.39Å; F287-I291 HydrophobicContact CG-CD1 3.96Å; F287-I291 HydrophobicContact CZ-CD1 2.95Å; F287-I291 HydrophobicContact CZ-CG1 4.36Å; I291-K293 HydrophobicContact CG2-CB 3.94Å; I291-R317 PolarHBondContact O-NH1 2.82Å
292N69Low83Confident88 Ų8823 Ų2347%0.47113%0.132SC..  trans-109.472172.4-167.624000112R320N292-R320 PolarHBondContact OD1-NH1 3.31Å
293K79.4Confident82.9Confident13 Ų1323.7 Ų23.76%0.05714%0.136CC..  trans-102.7119.6173.2-171.9169.4-177.757.50109.7S229 F273 L274 D276 I291 N295 V296S229-K293 WeakPolarHBondContact OG-CE 3.4Å; F273-K293 HydrophobicContact CD1-CD 3.93Å; F273-K293 HydrophobicContact CE1-CB 4.49Å; F273-K293 HydrophobicContact CE1-CD 3.61Å; F273-K293 HydrophobicContact CZ-CD 3.97Å; F273-K293 WeakPolarHBondContact O-CE 3.31Å; F273-K293 PolarHBondContact O-NZ 2.88Å; L274-K293 HydrophobicContact CD2-CB 4.28Å; L274-K293 PolarHBondContact O-NZ 2.83Å; L274-K293 VanDerWaalsContact O-NZ 3.11Å; D276-K293 WeakPolarHBondContact OD1-CE 3.49Å; D276-K293 IonicContact OD1-NZ 3.48Å; D276-K293 PolarHBondContact OD1-NZ 3.39Å; D276-K293 IonicContact OD2-NZ 3.75Å; D276-K293 PolarHBondContact OD2-NZ 3.33Å; I291-K293 HydrophobicContact CG2-CB 3.94Å; K293-N295 WeakPolarHBondContact CE-OD1 3.31Å; K293-N295 WeakPolarHBondContact CG-OD1 3.21Å; K293-N295 PolarHBondContact NZ-ND2 3.44Å; K293-N295 PolarHBondContact NZ-OD1 2.96Å; K293-V296 HydrophobicContact CB-CG2 4.02Å; K293-V296 HydrophobicContact CD-CG2 4.24Å; K293-V296 HydrophobicContact CG-CG2 4.05Å
294S79.1Confident82.8Confident62 Ų6223.7 Ų23.743%0.43414%0.136SC..THydrogen-bonded Turntrans-79.2-31.2-173.555.20000113.7V296 R297 R320 D321S294-V296 PolarHBondContact O-N 3.47Å; S294-R297 PolarHBondContact O-NH2 2.85Å; S294-R320 PolarHBondContact O-N 3.38Å; S294-D321 PolarHBondContact O-N 2.99Å
295N80.6Confident82.8Confident52 Ų5223.6 Ų23.628%0.27814%0.135SC..THydrogen-bonded Turntrans-91.119.2-171.468.3-45.8000114.7D276 K293 R297D276-N295 PolarHBondContact OD1-ND2 2.85Å; K293-N295 WeakPolarHBondContact CE-OD1 3.31Å; K293-N295 WeakPolarHBondContact CG-OD1 3.21Å; K293-N295 PolarHBondContact NZ-ND2 3.44Å; K293-N295 PolarHBondContact NZ-OD1 2.96Å; N295-R297 PolarHBondContact O-N 3.04Å
296V90Very high83.2Confident2 Ų219.3 Ų19.31%0.01212%0.116CC..  trans-67.5125171.2-179.20000108.3I231 F273 K293 S294 F298 V299 A318 G319I231-V296 HydrophobicContact CD1-CG1 4.29Å; I231-V296 HydrophobicContact CD1-CG2 4.37Å; I231-V296 HydrophobicContact CG1-CG1 4.19Å; F273-V296 HydrophobicContact CE1-CG2 4.4Å; F273-V296 HydrophobicContact CZ-CG2 4.15Å; K293-V296 HydrophobicContact CB-CG2 4.02Å; K293-V296 HydrophobicContact CD-CG2 4.24Å; K293-V296 HydrophobicContact CG-CG2 4.05Å; S294-V296 PolarHBondContact O-N 3.47Å; V296-F298 WeakPolarHBondContact CG1-O 3.22Å; V296-V299 HydrophobicContact CG1-CG2 4.24Å; V296-A318 HydrophobicContact CG1-CB 4.46Å; V296-A318 CarbonylContact O-C 3.54Å; V296-A318 WeakPolarHBondContact O-CA 3.45Å; V296-G319 PolarHBondContact O-N 3.23Å
297R91.8Very high83.8Confident38 Ų3817.8 Ų17.814%0.14310%0.102CC..  trans-98.8-27.5-177.6-64.7-61.777.2121.11114.1Q228 S229 S294 N295 D321 S325 E326Q228-R297 HydrophobicContact CB-CB 4.15Å; Q228-R297 HydrophobicContact CB-CG 4.11Å; Q228-R297 HydrophobicContact CG-CG 4.46Å; Q228-R297 VanDerWaalsContact OE1-CG 3.32Å; S229-R297 PolarHBondContact O-N 2.84Å; S294-R297 PolarHBondContact O-NH2 2.85Å; N295-R297 PolarHBondContact O-N 3.04Å; R297-D321 IonicContact CZ-OD1 3.47Å; R297-D321 IonicContact CZ-OD2 2.97Å; R297-D321 VanDerWaalsContact CZ-OD2 3.23Å; R297-D321 IonicContact NH1-OD1 2.76Å; R297-D321 IonicContact NH1-OD2 2.88Å; R297-D321 PolarHBondContact NH1-OD2 2.87Å; R297-D321 IonicContact NH2-OD1 2.78Å; R297-D321 PolarHBondContact NH2-OD1 3.12Å; R297-D321 IonicContact NH2-OD2 2.96Å; R297-D321 PolarHBondContact NH2-OD2 3.36Å; R297-S325 PolarHBondContact NE-OG 3.41Å; R297-S325 CarbonylContact O-C 3.44Å; R297-S325 WeakPolarHBondContact O-CA 3.38Å; R297-S325 WeakPolarHBondContact O-CB 3.25Å; R297-S325 PolarHBondContact O-OG 3.19Å; R297-E326 PolarHBondContact O-N 3.18Å
298F95Very high84.4Confident1 Ų117.7 Ų17.70%0.00410%0.102CC..EExtended strand (participates in β ladder)trans-142.5147.717759.4-94.8000112.4Y221 L222 N225 Q228 G230 I231 V280 V296 I300 E326Y221-F298 HydrophobicContact CE1-CB 3.98Å; Y221-F298 HydrophobicContact CE1-CD1 4.05Å; Y221-F298 AromaticContact CE1-CD2 3.99Å; Y221-F298 HydrophobicContact CE1-CD2 3.99Å; Y221-F298 HydrophobicContact CE1-CE2 4.47Å; Y221-F298 AromaticContact CE1-CG 3.75Å; Y221-F298 HydrophobicContact CE1-CG 3.75Å; Y221-F298 WeakPolarHBondContact OH-CB 3.48Å; L222-F298 HydrophobicContact CD2-CE1 4.48Å; L222-F298 HydrophobicContact CD2-CE2 3.54Å; L222-F298 HydrophobicContact CD2-CZ 3.41Å; L222-F298 VanDerWaalsContact CD2-CZ 3.41Å; N225-F298 HydrophobicContact CB-CD1 4.48Å; N225-F298 HydrophobicContact CB-CE1 4.2Å; Q228-F298 HydrophobicContact CB-CD1 4.44Å; Q228-F298 HydrophobicContact CB-CE1 4.03Å; G230-F298 WeakPolarHBondContact CA-O 3.45Å; I231-F298 PolarHBondContact N-O 3.23Å; V280-F298 HydrophobicContact CG2-CE2 4.46Å; V280-F298 HydrophobicContact CG2-CZ 3.94Å; V296-F298 WeakPolarHBondContact CG1-O 3.22Å; F298-I300 HydrophobicContact CD2-CD1 3.91Å; F298-I300 HydrophobicContact CD2-CG1 3.98Å; F298-I300 HydrophobicContact CE2-CD1 4.14Å; F298-E326 CarbonylContact C-O 3.55Å; F298-E326 WeakPolarHBondContact CA-O 3.41Å
299V95.9Very high85.8Confident0 Ų017.5 Ų17.50%010%0.1CC..EExtended strand (participates in β ladder)trans-124.2125167.8172.90000108I231 Y233 V296 R317 A318 E326 A327 V328I231-V299 HydrophobicContact CB-CG2 4.35Å; I231-V299 CarbonylContact O-C 3.59Å; I231-V299 VanDerWaalsContact O-CA 3.31Å; I231-V299 WeakPolarHBondContact O-CA 3.43Å; Y233-V299 HydrophobicContact CD2-CG1 3.68Å; Y233-V299 HydrophobicContact CE2-CG1 3.82Å; V296-V299 HydrophobicContact CG1-CG2 4.24Å; V299-R317 HydrophobicContact CG2-CB 4.15Å; V299-A318 HydrophobicContact CG2-CB 3.91Å; V299-E326 PolarHBondContact N-O 3.47Å; V299-A327 CarbonylContact O-C 3.56Å; V299-A327 VanDerWaalsContact O-CA 3.31Å; V299-A327 WeakPolarHBondContact O-CA 3.31Å; V299-V328 PolarHBondContact O-N 3.37Å
300I96.8Very high87.4Confident0 Ų016.3 Ų16.30%010%0.096CC..EExtended strand (participates in β ladder)trans-116.9121179.8-57173.2000109.1L218 Y221 I231 I232 Y233 F298 A302 V328 L330L218-I300 HydrophobicContact CD1-CD1 3.57Å; L218-I300 HydrophobicContact CD1-CG2 4.2Å; Y221-I300 HydrophobicContact CD1-CD1 3.71Å; Y221-I300 HydrophobicContact CE1-CD1 3.97Å; Y221-I300 HydrophobicContact CG-CD1 4.41Å; I231-I300 PolarHBondContact O-N 2.84Å; I232-I300 CarbonylContact C-O 3.45Å; I232-I300 WeakPolarHBondContact CA-O 3.4Å; I232-I300 HydrophobicContact CG1-CB 4.3Å; Y233-I300 PolarHBondContact N-O 3.4Å; F298-I300 HydrophobicContact CD2-CD1 3.91Å; F298-I300 HydrophobicContact CD2-CG1 3.98Å; F298-I300 HydrophobicContact CE2-CD1 4.14Å; I300-A302 PolarHBondContact O-N 2.93Å; I300-V328 CarbonylContact C-O 3.51Å; I300-V328 WeakPolarHBondContact CA-O 3.33Å; I300-V328 HydrophobicContact CG1-CB 4.18Å; I300-V328 HydrophobicContact CG1-CG2 4.43Å; I300-V328 HydrophobicContact CG2-CB 4.4Å; I300-L330 HydrophobicContact CG2-CD1 3.91Å; I300-L330 HydrophobicContact CG2-CD2 4.41Å; I300-L330 HydrophobicContact CG2-CG 3.83Å
301H97.2Very high89.2Confident1 Ų116 Ų161%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-91.299.7170.6-58.281.2000107.9Y233 Q303 Y311 E314 V328 L329 L330Y233-H301 AromaticContact CD2-NE2 3.93Å; Y233-H301 CarbonylContact O-C 3.53Å; H301-Q303 PolarHBondContact O-N 3.44Å; H301-Y311 AromaticContact CD2-CD2 3.97Å; H301-Y311 AromaticContact CE1-CD2 3.4Å; H301-Y311 VanDerWaalsContact CE1-CD2 3.4Å; H301-Y311 WeakPolarHBondContact CE1-CD2 3.25Å; H301-Y311 AromaticContact CE1-CE2 3.53Å; H301-Y311 AromaticContact CG-CD2 3.86Å; H301-Y311 AromaticContact CG-CE2 3.98Å; H301-Y311 AromaticContact ND1-CD2 3.53Å; H301-Y311 AromaticContact ND1-CE2 3.34Å; H301-Y311 VanDerWaalsContact ND1-CE2 3.34Å; H301-Y311 WeakPolarHBondContact ND1-CE2 3.14Å; H301-Y311 AromaticContact NE2-CD2 3.69Å; H301-E314 IonicContact CD2-OE2 2.65Å; H301-E314 PolarHBondContact CD2-OE2 2.98Å; H301-E314 VanDerWaalsContact CD2-OE2 3.23Å; H301-E314 VanDerWaalsContact NE2-CB 3.27Å; H301-E314 WeakPolarHBondContact NE2-CB 3.35Å; H301-E314 IonicContact NE2-OE2 2.86Å; H301-E314 PolarHBondContact NE2-OE2 2.77Å; H301-E314 VanDerWaalsContact NE2-OE2 3.12Å; H301-V328 PolarHBondContact N-O 3.25Å; H301-L329 HydrophobicContact CB-CD1 3.79Å; H301-L330 PolarHBondContact O-N 3.36Å
302A95.8Very high90.4Very high6 Ų615.9 Ų15.95%0.059%0.092CC..SBendtrans-67.8-25.1178.300000112.3K214 I232 Y233 L243 I300K214-A302 PolarHBondContact NZ-O 2.93Å; I232-A302 HydrophobicContact CG2-CB 4.03Å; Y233-A302 PolarHBondContact O-N 3.19Å; L243-A302 HydrophobicContact CD1-CB 3.63Å; I300-A302 PolarHBondContact O-N 2.93Å
303Q94.5Very high91.4Very high16 Ų1613.3 Ų13.38%0.0758%0.078CC..SBendtrans-129.2153.5171.2-59.6-167.5-84.500109.8S235 E239 H301 D335S235-Q303 WeakPolarHBondContact OG-CB 3.37Å; E239-Q303 HydrophobicContact CG-CG 4.18Å; H301-Q303 PolarHBondContact O-N 3.44Å; Q303-D335 HydrophobicContact CB-CB 4.36Å; Q303-D335 PolarHBondContact NE2-OD1 3.05Å
304I94.3Very high92Very high0 Ų013.5 Ų13.50%08%0.079CC..  trans-63.1132.6178.9-158.9178.8000111.3S235 L329 Y331 D335 L336 Q339 M363S235-I304 PolarHBondContact OG-O 3.04Å; I304-L329 HydrophobicContact CG1-CD1 4.49Å; I304-Y331 HydrophobicContact CD1-CD2 4.13Å; I304-Y331 HydrophobicContact CD1-CE2 3.82Å; I304-D335 HydrophobicContact CB-CB 4.29Å; I304-D335 HydrophobicContact CG2-CB 3.64Å; I304-L336 HydrophobicContact CD1-CD2 3.89Å; I304-L336 HydrophobicContact CG2-CD2 4.26Å; I304-Q339 HydrophobicContact CG2-CG 4.11Å; I304-Q339 PolarHBondContact O-NE2 3.27Å; I304-M363 HydrophobicContact CD1-CB 4.33Å; I304-M363 HydrophobicContact CD1-CG 3.69Å; I304-M363 HydrophobicContact CG1-CE 4.17Å; I304-M363 HydrophobicContact CG1-CG 3.56Å
305P93.8Very high92.6Very high9 Ų910.6 Ų10.66%0.0586%0.058CC..  trans-63.9166.6167.8-26.339.3000112.2N307 Y311P305-N307 VanDerWaalsContact C-N 3.3Å; P305-N307 PolarHBondContact O-N 3.31Å; P305-Y311 HydrophobicContact CG-CD2 4.03Å; P305-Y311 HydrophobicContact CG-CG 4.41Å
306G92Very high93Very high15 Ų158.1 Ų8.116%0.1555%0.045CC..SBendtrans-71.1-25.5179.100000113.7L360G306-L360 WeakPolarHBondContact O-CA 3.32Å; G306-L360 PolarHBondContact O-N 2.98Å
307N93Very high92.8Very high7 Ų78.8 Ų8.84%0.0375%0.047CC..SBendtrans-159.4167.4-175.655.553.6000111.4P305 E309 S310 Y311 K359P305-N307 VanDerWaalsContact C-N 3.3Å; P305-N307 PolarHBondContact O-N 3.31Å; N307-E309 VanDerWaalsContact C-N 3.35Å; N307-E309 WeakPolarHBondContact CB-OE2 3.4Å; N307-E309 PolarHBondContact OD1-OE2 3.4Å; N307-S310 VanDerWaalsContact OD1-CB 3.25Å; N307-S310 WeakPolarHBondContact OD1-CB 3.39Å; N307-S310 PolarHBondContact OD1-N 3.38Å; N307-S310 PolarHBondContact OD1-OG 2.97Å; N307-Y311 PolarHBondContact O-N 3.45Å; N307-K359 HydrophobicContact CB-CB 3.59Å; N307-K359 HydrophobicContact CB-CD 4.08Å; N307-K359 HydrophobicContact CB-CG 4.39Å
308L93.5Very high92.8Very high0 Ų07 Ų70%04%0.04CC..Hα-helixtrans-71.2-28.4-177.9-82.9165.4000113Y311 Y312 E362 M363 Y366 Y376 I377 Y380L308-Y311 HydrophobicContact CD2-CD1 4.24Å; L308-Y311 PolarHBondContact O-N 3.37Å; L308-Y312 WeakPolarHBondContact O-CB 3.42Å; L308-Y312 PolarHBondContact O-N 3.07Å; L308-E362 HydrophobicContact CD1-CB 3.96Å; L308-M363 HydrophobicContact CD2-CE 4.25Å; L308-M363 HydrophobicContact CD2-SD 3.64Å; L308-M363 HydrophobicContact CG-SD 3.92Å; L308-Y366 HydrophobicContact CD2-CD1 4.47Å; L308-Y366 HydrophobicContact CD2-CD2 3.94Å; L308-Y366 HydrophobicContact CD2-CG 3.85Å; L308-Y376 HydrophobicContact CD1-CD1 4.21Å; L308-Y376 HydrophobicContact CD1-CE1 3.73Å; L308-I377 HydrophobicContact CD2-CG1 4.41Å; L308-Y380 HydrophobicContact CB-CD1 4.01Å; L308-Y380 HydrophobicContact CB-CE1 4Å; L308-Y380 HydrophobicContact CB-CE2 4.48Å; L308-Y380 HydrophobicContact CB-CG 4.27Å; L308-Y380 HydrophobicContact CD1-CD1 4.33Å; L308-Y380 HydrophobicContact CD1-CD2 3.62Å; L308-Y380 HydrophobicContact CD1-CE2 4.12Å; L308-Y380 HydrophobicContact CD1-CG 3.74Å
309E91.2Very high92.4Very high1 Ų17 Ų71%0.0054%0.041CC..Hα-helixtrans-63.9-48.5176.6-60.992148.800111.3H147 T175 N307 Y312 Q313 Y380 F381H147-E309 HydrophobicContact CB-CB 4.02Å; H147-E309 HydrophobicContact CB-CG 4.4Å; H147-E309 VanDerWaalsContact CG-CB 3.43Å; T175-E309 HydrophobicContact CG2-CB 4.14Å; N307-E309 VanDerWaalsContact C-N 3.35Å; N307-E309 WeakPolarHBondContact CB-OE2 3.4Å; N307-E309 PolarHBondContact OD1-OE2 3.4Å; E309-Y312 PolarHBondContact O-N 3.4Å; E309-Q313 VanDerWaalsContact O-CB 3.31Å; E309-Q313 WeakPolarHBondContact O-CB 3.49Å; E309-Q313 PolarHBondContact O-N 3.32Å; E309-Y380 HydrophobicContact CG-CE1 4.01Å; E309-Y380 PolarHBondContact OE1-OH 2.95Å; E309-Y380 PolarHBondContact OE2-OH 3.38Å; E309-F381 HydrophobicContact CG-CE1 3.99Å; E309-F381 HydrophobicContact CG-CZ 4.24Å
310S90.3Very high91.8Very high22 Ų229.7 Ų9.715%0.1545%0.051CC..Hα-helixtrans-61.4-48.1176.3-55.30000110.1N307 Y312 Q313 E314N307-S310 VanDerWaalsContact OD1-CB 3.25Å; N307-S310 WeakPolarHBondContact OD1-CB 3.39Å; N307-S310 PolarHBondContact OD1-N 3.38Å; N307-S310 PolarHBondContact OD1-OG 2.97Å; S310-Y312 VanDerWaalsContact C-N 3.34Å; S310-Y312 PolarHBondContact O-N 3.48Å; S310-Q313 PolarHBondContact O-N 2.69Å; S310-E314 VanDerWaalsContact O-CB 3.25Å; S310-E314 WeakPolarHBondContact O-CB 3.4Å; S310-E314 VanDerWaalsContact O-CG 3.22Å; S310-E314 WeakPolarHBondContact O-CG 3.46Å; S310-E314 PolarHBondContact O-N 2.97Å
311Y94.3Very high91Very high0 Ų012.7 Ų12.70%07%0.067CC..Hα-helixtrans-56.8-46.8176.8175-112.5000112.1F207 H301 P305 N307 L308 A315 L329 M363 Y366 I377F207-Y311 HydrophobicContact CD1-CE1 4.16Å; F207-Y311 HydrophobicContact CE1-CE1 4.29Å; H301-Y311 AromaticContact CD2-CD2 3.97Å; H301-Y311 AromaticContact CE1-CD2 3.4Å; H301-Y311 VanDerWaalsContact CE1-CD2 3.4Å; H301-Y311 WeakPolarHBondContact CE1-CD2 3.25Å; H301-Y311 AromaticContact CE1-CE2 3.53Å; H301-Y311 AromaticContact CG-CD2 3.86Å; H301-Y311 AromaticContact CG-CE2 3.98Å; H301-Y311 AromaticContact ND1-CD2 3.53Å; H301-Y311 AromaticContact ND1-CE2 3.34Å; H301-Y311 VanDerWaalsContact ND1-CE2 3.34Å; H301-Y311 WeakPolarHBondContact ND1-CE2 3.14Å; H301-Y311 AromaticContact NE2-CD2 3.69Å; P305-Y311 HydrophobicContact CG-CD2 4.03Å; P305-Y311 HydrophobicContact CG-CG 4.41Å; N307-Y311 PolarHBondContact O-N 3.45Å; L308-Y311 HydrophobicContact CD2-CD1 4.24Å; L308-Y311 PolarHBondContact O-N 3.37Å; Y311-A315 WeakPolarHBondContact O-CB 3.38Å; Y311-A315 PolarHBondContact O-N 3.49Å; Y311-L329 HydrophobicContact CE2-CB 4.11Å; Y311-M363 HydrophobicContact CD1-CE 4.24Å; Y311-M363 HydrophobicContact CD1-SD 4.46Å; Y311-M363 HydrophobicContact CD2-CE 4.41Å; Y311-M363 HydrophobicContact CG-CE 4.08Å; Y311-M363 HydrophobicContact CG-SD 4.16Å; Y311-Y366 HydrophobicContact CD1-CE1 4.33Å; Y311-Y366 HydrophobicContact CE1-CD1 4.42Å; Y311-Y366 AromaticContact CE1-CE1 3.55Å; Y311-Y366 HydrophobicContact CE1-CE1 3.55Å; Y311-Y366 HydrophobicContact CE1-CE2 4.34Å; Y311-Y366 AromaticContact CE1-CZ 3.5Å; Y311-Y366 VanDerWaalsContact CE1-CZ 3.5Å; Y311-Y366 WeakPolarHBondContact CE1-OH 3.47Å; Y311-Y366 AromaticContact CZ-CE1 3.77Å; Y311-Y366 AromaticContact CZ-CZ 3.98Å; Y311-Y366 PolarHBondContact OH-OH 3.08Å; Y311-Y366 VanDerWaalsContact OH-OH 3.05Å; Y311-I377 HydrophobicContact CE1-CD1 4.12Å
312Y91.9Very high90.3Very high1 Ų114.9 Ų14.90%0.0049%0.09CC..Hα-helixtrans-67.9-39.5-179.1-180-110.8000112.3P39 T175 F200 F207 L308 E309 S310 G316 I377 F381P39-Y312 VanDerWaalsContact CB-OH 3.28Å; P39-Y312 WeakPolarHBondContact CB-OH 3.42Å; T175-Y312 HydrophobicContact CG2-CD1 3.94Å; F200-Y312 HydrophobicContact CD1-CE1 4.27Å; F200-Y312 PolarHBondContact O-OH 2.96Å; F207-Y312 HydrophobicContact CZ-CD2 4.46Å; L308-Y312 WeakPolarHBondContact O-CB 3.42Å; L308-Y312 PolarHBondContact O-N 3.07Å; E309-Y312 PolarHBondContact O-N 3.4Å; S310-Y312 VanDerWaalsContact C-N 3.34Å; S310-Y312 PolarHBondContact O-N 3.48Å; Y312-G316 PolarHBondContact O-N 2.67Å; Y312-I377 HydrophobicContact CD2-CG2 3.75Å; Y312-I377 HydrophobicContact CE2-CG2 4.28Å; Y312-I377 HydrophobicContact CG-CG2 4.19Å; Y312-F381 AromaticContact CD1-CE2 3.73Å; Y312-F381 HydrophobicContact CD1-CE2 3.73Å; Y312-F381 AromaticContact CD1-CZ 3.98Å; Y312-F381 HydrophobicContact CD1-CZ 3.98Å; Y312-F381 HydrophobicContact CE1-CE2 4.32Å; Y312-F381 AromaticContact CG-CE2 3.86Å; Y312-F381 HydrophobicContact CG-CE2 3.86Å; Y312-F381 HydrophobicContact CG-CZ 4.31Å
313Q88.1Confident89.7Confident34 Ų3419.1 Ų19.116%0.15911%0.111CC..Hα-helixtrans-65.8-45.4176.1-167.4-173.447.400111.5T175 E309 S310 G316T175-Q313 HydrophobicContact CG2-CB 4.4Å; E309-Q313 VanDerWaalsContact O-CB 3.31Å; E309-Q313 WeakPolarHBondContact O-CB 3.49Å; E309-Q313 PolarHBondContact O-N 3.32Å; S310-Q313 PolarHBondContact O-N 2.69Å; Q313-G316 PolarHBondContact O-N 3.43Å
314E91.9Very high89.4Confident17 Ų1723.6 Ų23.68%0.07914%0.141CC..Hα-helixtrans-64.8-50.1177.6-73.6173.2168.700111.2Y233 N285 H301 S310 G316 R317Y233-E314 HydrophobicContact CD2-CB 3.87Å; Y233-E314 HydrophobicContact CD2-CG 4.15Å; Y233-E314 HydrophobicContact CE1-CG 4.47Å; Y233-E314 HydrophobicContact CE2-CB 3.64Å; Y233-E314 HydrophobicContact CE2-CG 3.89Å; N285-E314 VanDerWaalsContact CB-OE1 3.3Å; N285-E314 WeakPolarHBondContact CB-OE1 3.42Å; H301-E314 IonicContact CD2-OE2 2.65Å; H301-E314 PolarHBondContact CD2-OE2 2.98Å; H301-E314 VanDerWaalsContact CD2-OE2 3.23Å; H301-E314 VanDerWaalsContact NE2-CB 3.27Å; H301-E314 WeakPolarHBondContact NE2-CB 3.35Å; H301-E314 IonicContact NE2-OE2 2.86Å; H301-E314 PolarHBondContact NE2-OE2 2.77Å; H301-E314 VanDerWaalsContact NE2-OE2 3.12Å; S310-E314 VanDerWaalsContact O-CB 3.25Å; S310-E314 WeakPolarHBondContact O-CB 3.4Å; S310-E314 VanDerWaalsContact O-CG 3.22Å; S310-E314 WeakPolarHBondContact O-CG 3.46Å; S310-E314 PolarHBondContact O-N 2.97Å; E314-G316 VanDerWaalsContact C-N 3.28Å; E314-G316 PolarHBondContact O-N 2.86Å; E314-R317 VanDerWaalsContact O-CB 3.25Å; E314-R317 WeakPolarHBondContact O-CB 3.2Å; E314-R317 VanDerWaalsContact O-CG 3.3Å; E314-R317 WeakPolarHBondContact O-CG 3.34Å; E314-R317 PolarHBondContact O-N 3.44Å; E314-R317 VanDerWaalsContact O-N 3.17Å
315A92.9Very high89.2Confident0 Ų024 Ų240%014%0.144CC..Hα-helixtrans-57.7-39.9174.900000112.2L205 F207 Y311 R317 A318 A327L205-A315 HydrophobicContact CD2-CB 4.3Å; F207-A315 HydrophobicContact CE1-CB 4.03Å; Y311-A315 WeakPolarHBondContact O-CB 3.38Å; Y311-A315 PolarHBondContact O-N 3.49Å; A315-R317 PolarHBondContact O-N 3.05Å; A315-A318 PolarHBondContact O-N 2.55Å; A315-A318 VanDerWaalsContact O-N 3.08Å; A315-A327 HydrophobicContact CB-CB 3.61Å
316G88.8Confident89.2Confident0 Ų026.3 Ų26.30%015%0.154CC..THydrogen-bonded Turntrans-64.6-4.6179.900000115.1R202 Y312 Q313 E314 A318R202-G316 PolarHBondContact NH1-O 3Å; Y312-G316 PolarHBondContact O-N 2.67Å; Q313-G316 PolarHBondContact O-N 3.43Å; E314-G316 VanDerWaalsContact C-N 3.28Å; E314-G316 PolarHBondContact O-N 2.86Å; G316-A318 VanDerWaalsContact C-N 3.33Å
317R86.7Confident89.4Confident17 Ų1725.6 Ų25.66%0.06415%0.147CC..THydrogen-bonded Turntrans-71.7-27.7170.8-65178.3156.5-75-14.3112.7I231 Y233 G288 I291 V299 E314 A315I231-R317 HydrophobicContact CD1-CB 4.27Å; Y233-R317 WeakPolarHBondContact OH-CD 3.14Å; Y233-R317 PolarHBondContact OH-NE 3.44Å; G288-R317 VanDerWaalsContact CA-NE 3.34Å; G288-R317 PolarHBondContact O-NE 3.25Å; G288-R317 VanDerWaalsContact O-NE 3.14Å; G288-R317 PolarHBondContact O-NH2 3.18Å; I291-R317 PolarHBondContact O-NH1 2.82Å; V299-R317 HydrophobicContact CG2-CB 4.15Å; E314-R317 VanDerWaalsContact O-CB 3.25Å; E314-R317 WeakPolarHBondContact O-CB 3.2Å; E314-R317 VanDerWaalsContact O-CG 3.3Å; E314-R317 WeakPolarHBondContact O-CG 3.34Å; E314-R317 PolarHBondContact O-N 3.44Å; E314-R317 VanDerWaalsContact O-N 3.17Å; A315-R317 PolarHBondContact O-N 3.05Å
318A90.1Very high89.6Confident0 Ų025.3 Ų25.30%015%0.145CC..THydrogen-bonded Turntrans-71.2146.5173.100000111R202 L205 V296 V299 A315 G316 R320R202-A318 PolarHBondContact NH2-O 3.2Å; L205-A318 HydrophobicContact CD1-CB 3.81Å; V296-A318 HydrophobicContact CG1-CB 4.46Å; V296-A318 CarbonylContact O-C 3.54Å; V296-A318 WeakPolarHBondContact O-CA 3.45Å; V299-A318 HydrophobicContact CG2-CB 3.91Å; A315-A318 PolarHBondContact O-N 2.55Å; A315-A318 VanDerWaalsContact O-N 3.08Å; G316-A318 VanDerWaalsContact C-N 3.33Å; A318-R320 PolarHBondContact O-N 2.93Å
319G86.7Confident89.7Confident1 Ų125.3 Ų25.31%0.0115%0.145CC..THydrogen-bonded Turntrans6039171.200000114.6R202 N204 V296 D321 G322 S325R202-G319 PolarHBondContact NH2-O 3.38Å; N204-G319 WeakPolarHBondContact ND2-CA 3.38Å; N204-G319 PolarHBondContact ND2-O 3.27Å; V296-G319 PolarHBondContact O-N 3.23Å; G319-D321 PolarHBondContact O-N 3.4Å; G319-G322 PolarHBondContact O-N 2.96Å; G319-S325 WeakPolarHBondContact CA-OG 3.36Å; G319-S325 PolarHBondContact N-OG 3.1Å
320R83Confident89.9Confident57 Ų5725.3 Ų25.322%0.21515%0.145CC..THydrogen-bonded Turntrans-69.1-20.4179.9-82.9-176175.3-167.34113.4N292 S294 A318N292-R320 PolarHBondContact OD1-NH1 3.31Å; S294-R320 PolarHBondContact O-N 3.38Å; A318-R320 PolarHBondContact O-N 2.93Å
321D81.6Confident90Very high63 Ų6324.7 Ų24.734%0.33714%0.14SC..THydrogen-bonded Turntrans-79.2-0.6169.559.53.5000113.8S294 R297 G319 L323S294-D321 PolarHBondContact O-N 2.99Å; R297-D321 IonicContact CZ-OD1 3.47Å; R297-D321 IonicContact CZ-OD2 2.97Å; R297-D321 VanDerWaalsContact CZ-OD2 3.23Å; R297-D321 IonicContact NH1-OD1 2.76Å; R297-D321 IonicContact NH1-OD2 2.88Å; R297-D321 PolarHBondContact NH1-OD2 2.87Å; R297-D321 IonicContact NH2-OD1 2.78Å; R297-D321 PolarHBondContact NH2-OD1 3.12Å; R297-D321 IonicContact NH2-OD2 2.96Å; R297-D321 PolarHBondContact NH2-OD2 3.36Å; G319-D321 PolarHBondContact O-N 3.4Å; D321-L323 VanDerWaalsContact C-N 3.31Å; D321-L323 PolarHBondContact O-N 3.12Å; D321-L323 PolarHBondContact OD1-N 3.41Å; D321-L323 VanDerWaalsContact OD1-N 3.1Å
322G81.2Confident89.8Confident47 Ų4725.3 Ų25.349%0.48515%0.145SC..SBendtrans84.1-1.7179.500000114.7N204 G319N204-G322 WeakPolarHBondContact CB-O 3.23Å; G319-G322 PolarHBondContact O-N 2.96Å
323L82.9Confident89.4Confident95 Ų9528.4 Ų28.450%0.49717%0.165SC..SBendtrans-73.8156.1176.3-65.8-178.6000111.7N204 D321 S325N204-L323 PolarHBondContact ND2-O 3.19Å; D321-L323 VanDerWaalsContact C-N 3.31Å; D321-L323 PolarHBondContact O-N 3.12Å; D321-L323 PolarHBondContact OD1-N 3.41Å; D321-L323 VanDerWaalsContact OD1-N 3.1Å; L323-S325 PolarHBondContact O-N 3Å; L323-S325 PolarHBondContact O-OG 3.39Å
324P88.3Confident89.3Confident109 Ų10933.1 Ų33.171%0.70819%0.187SC*.  trans-51.8134.5175-27.235.8000111.7N204N204-P324 CarbonylContact O-C 3.56Å; N204-P324 WeakPolarHBondContact O-CA 3.07Å
325S91.4Very high89.3Confident8 Ų833 Ų336%0.05619%0.187CC..EExtended strand (participates in β ladder)trans-155.6163.4-175.7-71.20000110.6N204 L205 A206 R297 G319 L323N204-S325 PolarHBondContact O-N 3.48Å; L205-S325 CarbonylContact C-O 3.58Å; L205-S325 WeakPolarHBondContact CA-O 3.43Å; A206-S325 PolarHBondContact N-O 3.5Å; R297-S325 PolarHBondContact NE-OG 3.41Å; R297-S325 CarbonylContact O-C 3.44Å; R297-S325 WeakPolarHBondContact O-CA 3.38Å; R297-S325 WeakPolarHBondContact O-CB 3.25Å; R297-S325 PolarHBondContact O-OG 3.19Å; G319-S325 WeakPolarHBondContact CA-OG 3.36Å; G319-S325 PolarHBondContact N-OG 3.1Å; L323-S325 PolarHBondContact O-N 3Å; L323-S325 PolarHBondContact O-OG 3.39Å
326E94.2Very high89.1Confident59 Ų5934 Ų3428%0.27619%0.192SC..EExtended strand (participates in β ladder)trans-125.7144.2-174.2-60.5-167.8164.300113.3A206 Q208 Y221 R297 F298 V299A206-E326 HydrophobicContact CB-CG 4.44Å; A206-E326 CarbonylContact O-C 2.93Å; A206-E326 WeakPolarHBondContact O-CA 3.47Å; Q208-E326 VanDerWaalsContact NE2-CD 3.25Å; Q208-E326 PolarHBondContact NE2-OE1 3.15Å; Q208-E326 PolarHBondContact NE2-OE2 3.36Å; Y221-E326 WeakPolarHBondContact CE2-OE2 3.44Å; Y221-E326 VanDerWaalsContact CZ-OE2 3.32Å; Y221-E326 WeakPolarHBondContact OH-CB 3.44Å; Y221-E326 PolarHBondContact OH-OE2 3.14Å; R297-E326 PolarHBondContact O-N 3.18Å; F298-E326 CarbonylContact C-O 3.55Å; F298-E326 WeakPolarHBondContact CA-O 3.41Å; V299-E326 PolarHBondContact N-O 3.47Å
327A96.1Very high89.3Confident0 Ų039.9 Ų39.90%022%0.219CC..EExtended strand (participates in β ladder)trans-120.4113.6169.200000108.7L205 A206 F207 Q208 V299 A315L205-A327 HydrophobicContact CD1-CB 4.04Å; L205-A327 HydrophobicContact CD2-CB 4.23Å; L205-A327 HydrophobicContact CG-CB 4.2Å; A206-A327 PolarHBondContact O-N 3.17Å; F207-A327 CarbonylContact C-O 3.5Å; F207-A327 WeakPolarHBondContact CA-O 3.37Å; F207-A327 HydrophobicContact CD1-CB 3.76Å; F207-A327 HydrophobicContact CE1-CB 4Å; Q208-A327 PolarHBondContact N-O 2.82Å; V299-A327 CarbonylContact O-C 3.56Å; V299-A327 VanDerWaalsContact O-CA 3.31Å; V299-A327 WeakPolarHBondContact O-CA 3.31Å; A315-A327 HydrophobicContact CB-CB 3.61Å
328V96Very high89.5Confident0 Ų040.8 Ų40.80%023%0.227CC..EExtended strand (participates in β ladder)trans-110.6130.7-176.8-172.40000109.7Q208 V210 Y217 Y221 V299 I300 H301 L330Q208-V328 HydrophobicContact CB-CG1 4.31Å; Q208-V328 HydrophobicContact CB-CG2 4.29Å; Q208-V328 CarbonylContact O-C 3.54Å; Q208-V328 WeakPolarHBondContact O-CA 3.45Å; V210-V328 HydrophobicContact CG2-CG1 3.87Å; Y217-V328 HydrophobicContact CE1-CG1 3.82Å; Y221-V328 HydrophobicContact CE2-CG2 4.18Å; V299-V328 PolarHBondContact O-N 3.37Å; I300-V328 CarbonylContact C-O 3.51Å; I300-V328 WeakPolarHBondContact CA-O 3.33Å; I300-V328 HydrophobicContact CG1-CB 4.18Å; I300-V328 HydrophobicContact CG1-CG2 4.43Å; I300-V328 HydrophobicContact CG2-CB 4.4Å; H301-V328 PolarHBondContact N-O 3.25Å; V328-L330 HydrophobicContact CG1-CD2 3.87Å
329L97.1Very high89.7Confident0 Ų041.8 Ų41.80%023%0.232CC..EExtended strand (participates in β ladder)trans-105.7113.5168.517562.2000109.2Q208 V209 V210 H301 I304 Y311 Y331 M363 Y366Q208-L329 PolarHBondContact O-N 2.7Å; V209-L329 HydrophobicContact CG2-CB 4.37Å; V209-L329 HydrophobicContact CG2-CD2 4.34Å; V210-L329 PolarHBondContact N-O 3.44Å; H301-L329 HydrophobicContact CB-CD1 3.79Å; I304-L329 HydrophobicContact CG1-CD1 4.49Å; Y311-L329 HydrophobicContact CE2-CB 4.11Å; L329-Y331 HydrophobicContact CD2-CD2 4.39Å; L329-Y331 PolarHBondContact O-N 2.76Å; L329-Y331 VanDerWaalsContact O-N 3.13Å; L329-M363 HydrophobicContact CD2-CE 3.56Å; L329-Y366 HydrophobicContact CD2-CD1 3.92Å; L329-Y366 HydrophobicContact CD2-CE1 3.98Å
330L94.6Very high89.9Confident2 Ų244.4 Ų44.41%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-82.486.4169.9-53.7-173.3000108V210 K214 Y217 L218 I300 H301 V328V210-L330 HydrophobicContact CB-CD2 3.93Å; V210-L330 HydrophobicContact CG1-CD2 4.36Å; V210-L330 HydrophobicContact CG2-CD2 4.37Å; K214-L330 HydrophobicContact CB-CB 4.42Å; K214-L330 HydrophobicContact CB-CD1 4.13Å; K214-L330 HydrophobicContact CD-CB 3.85Å; K214-L330 WeakPolarHBondContact CE-O 3.17Å; K214-L330 HydrophobicContact CG-CB 3.99Å; K214-L330 PolarHBondContact NZ-O 3.2Å; Y217-L330 HydrophobicContact CD1-CD2 3.57Å; Y217-L330 HydrophobicContact CE1-CD2 3.96Å; Y217-L330 HydrophobicContact CG-CD2 4.34Å; L218-L330 HydrophobicContact CB-CD1 4.28Å; I300-L330 HydrophobicContact CG2-CD1 3.91Å; I300-L330 HydrophobicContact CG2-CD2 4.41Å; I300-L330 HydrophobicContact CG2-CG 3.83Å; H301-L330 PolarHBondContact O-N 3.36Å; V328-L330 HydrophobicContact CG1-CD2 3.87Å
331Y92.7Very high90.3Very high9 Ų946.9 Ų46.94%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-76.9128.1-171.3178.7-92.7000111.5V210 K211 I304 L329 P333 N364 H368V210-Y331 PolarHBondContact O-N 3.28Å; K211-Y331 HydrophobicContact CG-CD1 4.31Å; I304-Y331 HydrophobicContact CD1-CD2 4.13Å; I304-Y331 HydrophobicContact CD1-CE2 3.82Å; L329-Y331 HydrophobicContact CD2-CD2 4.39Å; L329-Y331 PolarHBondContact O-N 2.76Å; L329-Y331 VanDerWaalsContact O-N 3.13Å; Y331-P333 HydrophobicContact CE1-CG 3.89Å; Y331-N364 PolarHBondContact OH-OD1 3.25Å; Y331-H368 AromaticContact CE1-CE1 3.68Å; Y331-H368 AromaticContact CZ-CE1 3.5Å; Y331-H368 VanDerWaalsContact CZ-CE1 3.5Å; Y331-H368 AromaticContact CZ-ND1 3.87Å; Y331-H368 PolarHBondContact OH-CE1 3.44Å
332A89.4Confident90.7Very high13 Ų1348 Ų4811%0.10726%0.258CS..  trans-136.9134.6162.900000111.9K214 Q334 D335K214-A332 VanDerWaalsContact NZ-CB 3.28Å; A332-Q334 PolarHBondContact O-N 2.76Å; A332-Q334 VanDerWaalsContact O-N 3.13Å; A332-D335 WeakPolarHBondContact O-CB 2.86Å; A332-D335 PolarHBondContact O-N 3.1Å; A332-D335 VanDerWaalsContact O-N 3.08Å
333P83.6Confident91Very high65 Ų6546.5 Ų46.542%0.42224%0.238SC..THydrogen-bonded Turntrans-58.5-27.4178.3-25.433.5000114.4Y331 D335 L336Y331-P333 HydrophobicContact CE1-CG 3.89Å; P333-D335 PolarHBondContact O-N 3.48Å; P333-L336 WeakPolarHBondContact O-CB 3.37Å; P333-L336 WeakPolarHBondContact O-CG 3.06Å; P333-L336 PolarHBondContact O-N 2.85Å
334Q86.8Confident91.2Very high134 Ų13446.6 Ų46.663%0.62624%0.236SC*.THydrogen-bonded Turntrans-65.9-28.5179.5-62.285.9-7.300112.3A332 L336 Q337A332-Q334 PolarHBondContact O-N 2.76Å; A332-Q334 VanDerWaalsContact O-N 3.13Å; Q334-L336 PolarHBondContact O-N 3.15Å; Q334-Q337 PolarHBondContact O-N 3.47Å; Q334-Q337 VanDerWaalsContact O-N 3.13Å
335D90.4Very high91Very high15 Ų1547.4 Ų47.48%0.0823%0.23CC..Hα-helixtrans-65.4-22.8-179.1-62.4-39.6000112K214 Q303 I304 A332 P333 Q337 V338 Q339K214-D335 IonicContact NZ-OD2 2.83Å; K214-D335 PolarHBondContact NZ-OD2 3.01Å; Q303-D335 HydrophobicContact CB-CB 4.36Å; Q303-D335 PolarHBondContact NE2-OD1 3.05Å; I304-D335 HydrophobicContact CB-CB 4.29Å; I304-D335 HydrophobicContact CG2-CB 3.64Å; A332-D335 WeakPolarHBondContact O-CB 2.86Å; A332-D335 PolarHBondContact O-N 3.1Å; A332-D335 VanDerWaalsContact O-N 3.08Å; P333-D335 PolarHBondContact O-N 3.48Å; D335-Q337 PolarHBondContact O-N 3.26Å; D335-V338 WeakPolarHBondContact O-CB 3.38Å; D335-V338 PolarHBondContact O-N 2.85Å; D335-V338 VanDerWaalsContact O-N 3.1Å; D335-Q339 PolarHBondContact O-N 2.75Å
336L90.3Very high90.3Very high20 Ų2048.5 Ų48.511%0.10524%0.238CC..Hα-helixtrans-58.5-33.9174.8-62.4172.4000112.1I304 P333 Q334 V338 Q339 K340 L360 N364I304-L336 HydrophobicContact CD1-CD2 3.89Å; I304-L336 HydrophobicContact CG2-CD2 4.26Å; P333-L336 WeakPolarHBondContact O-CB 3.37Å; P333-L336 WeakPolarHBondContact O-CG 3.06Å; P333-L336 PolarHBondContact O-N 2.85Å; Q334-L336 PolarHBondContact O-N 3.15Å; L336-V338 VanDerWaalsContact C-N 3.27Å; L336-V338 PolarHBondContact O-N 2.75Å; L336-Q339 PolarHBondContact O-N 3.15Å; L336-K340 VanDerWaalsContact O-CG 3.27Å; L336-K340 WeakPolarHBondContact O-CG 3.49Å; L336-K340 PolarHBondContact O-N 2.88Å; L336-L360 HydrophobicContact CD2-CD1 3.92Å; L336-L360 HydrophobicContact CD2-CG 4.32Å; L336-N364 HydrophobicContact CD1-CB 4.41Å; L336-N364 WeakPolarHBondContact CD1-OD1 3.3Å; L336-N364 HydrophobicContact CD2-CB 3.9Å
337Q91.2Very high89.1Confident123 Ų12355.5 Ų55.558%0.57527%0.271SS*.Hα-helixtrans-66.4-33.5-179.9-60.9-61.7-22.100111.7Q334 D335 F341Q334-Q337 PolarHBondContact O-N 3.47Å; Q334-Q337 VanDerWaalsContact O-N 3.13Å; D335-Q337 PolarHBondContact O-N 3.26Å; Q337-F341 WeakPolarHBondContact O-CB 3.36Å; Q337-F341 PolarHBondContact O-N 3.35Å
338V92.7Very high87.8Confident37 Ų3758 Ų5822%0.22429%0.288CS..Hα-helixtrans-64.3-45.1175.3179.90000110T236 D335 L336 F341 F342T236-V338 HydrophobicContact CG2-CG1 3.64Å; D335-V338 WeakPolarHBondContact O-CB 3.38Å; D335-V338 PolarHBondContact O-N 2.85Å; D335-V338 VanDerWaalsContact O-N 3.1Å; L336-V338 VanDerWaalsContact C-N 3.27Å; L336-V338 PolarHBondContact O-N 2.75Å; V338-F341 WeakPolarHBondContact O-CB 3.35Å; V338-F341 PolarHBondContact O-N 2.65Å; V338-F342 HydrophobicContact CG1-CD2 4.34Å; V338-F342 HydrophobicContact CG1-CE1 4.47Å; V338-F342 HydrophobicContact CG1-CE2 3.66Å; V338-F342 HydrophobicContact CG1-CZ 3.73Å; V338-F342 WeakPolarHBondContact O-CG 3.45Å; V338-F342 PolarHBondContact O-N 2.65Å; V338-F342 VanDerWaalsContact O-N 3.12Å
339Q93.7Very high86.6Confident20 Ų2065.2 Ų65.29%0.09332%0.322CS..Hα-helixtrans-68.1-40.7178.9-61.1-58.5-16.900112.2S235 I304 D335 L336 F341 F342 I343 L360S235-Q339 PolarHBondContact OG-NE2 2.92Å; I304-Q339 HydrophobicContact CG2-CG 4.11Å; I304-Q339 PolarHBondContact O-NE2 3.27Å; D335-Q339 PolarHBondContact O-N 2.75Å; L336-Q339 PolarHBondContact O-N 3.15Å; Q339-F341 VanDerWaalsContact C-N 3.31Å; Q339-F341 PolarHBondContact O-N 2.89Å; Q339-F342 PolarHBondContact O-N 3.18Å; Q339-F342 VanDerWaalsContact O-N 3.12Å; Q339-I343 WeakPolarHBondContact O-CG1 3.48Å; Q339-I343 PolarHBondContact O-N 3.21Å; Q339-L360 HydrophobicContact CB-CD1 3.56Å; Q339-L360 HydrophobicContact CB-CD2 3.76Å; Q339-L360 HydrophobicContact CB-CG 4.32Å; Q339-L360 HydrophobicContact CG-CD1 3.91Å
340K91.4Very high85.6Confident57 Ų5769.1 Ų69.125%0.24835%0.349CS..Hα-helixtrans-58.6-43.8173.6-69.4-176.7-179.7-170.90112L336 F342 I343 E344 Y357 L360L336-K340 VanDerWaalsContact O-CG 3.27Å; L336-K340 WeakPolarHBondContact O-CG 3.49Å; L336-K340 PolarHBondContact O-N 2.88Å; K340-F342 VanDerWaalsContact C-N 3.3Å; K340-F342 PolarHBondContact O-N 2.68Å; K340-I343 PolarHBondContact O-N 2.87Å; K340-E344 WeakPolarHBondContact O-CG 3.44Å; K340-E344 PolarHBondContact O-N 3.13Å; K340-Y357 HydrophobicContact CB-CE1 4.38Å; K340-Y357 HydrophobicContact CG-CE1 3.97Å; K340-L360 HydrophobicContact CG-CD2 3.78Å
341F90.7Very high84.7Confident109 Ų10971.9 Ų71.948%0.47837%0.369SS..Hα-helixtrans-59-41.3175.2176.8-97.8000111.8Q337 V338 Q339 E344 Q345Q337-F341 WeakPolarHBondContact O-CB 3.36Å; Q337-F341 PolarHBondContact O-N 3.35Å; V338-F341 WeakPolarHBondContact O-CB 3.35Å; V338-F341 PolarHBondContact O-N 2.65Å; Q339-F341 VanDerWaalsContact C-N 3.31Å; Q339-F341 PolarHBondContact O-N 2.89Å; F341-E344 PolarHBondContact O-N 2.81Å; F341-Q345 HydrophobicContact CD1-CG 4.26Å; F341-Q345 HydrophobicContact CD2-CG 4.43Å; F341-Q345 HydrophobicContact CE1-CG 3.81Å; F341-Q345 HydrophobicContact CE2-CG 4Å; F341-Q345 HydrophobicContact CZ-CG 3.66Å; F341-Q345 VanDerWaalsContact O-CG 3.29Å; F341-Q345 WeakPolarHBondContact O-CG 3.2Å; F341-Q345 PolarHBondContact O-N 3.05Å
342F89.3Confident84.1Confident87 Ų8774 Ų7438%0.38238%0.377SS..Hα-helixtrans-64.6-40.2175.4-63.6-30.3000113.1S235 T236 V338 Q339 K340 E344 Q345 S346S235-F342 WeakPolarHBondContact O-CZ 3.49Å; T236-F342 HydrophobicContact CG2-CZ 4.25Å; V338-F342 HydrophobicContact CG1-CD2 4.34Å; V338-F342 HydrophobicContact CG1-CE1 4.47Å; V338-F342 HydrophobicContact CG1-CE2 3.66Å; V338-F342 HydrophobicContact CG1-CZ 3.73Å; V338-F342 WeakPolarHBondContact O-CG 3.45Å; V338-F342 PolarHBondContact O-N 2.65Å; V338-F342 VanDerWaalsContact O-N 3.12Å; Q339-F342 PolarHBondContact O-N 3.18Å; Q339-F342 VanDerWaalsContact O-N 3.12Å; K340-F342 VanDerWaalsContact C-N 3.3Å; K340-F342 PolarHBondContact O-N 2.68Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-E344 PolarHBondContact O-N 2.82Å; F342-Q345 PolarHBondContact O-N 3.1Å; F342-S346 PolarHBondContact O-N 3.48Å
343I88.3Confident83.7Confident15 Ų1575.8 Ų75.88%0.07738%0.383CS..Hα-helixtrans-61.2-45.1175.2-63.7167.7000110.1Q339 K340 Q345 S346 Q353 E356 Y357 L360Q339-I343 WeakPolarHBondContact O-CG1 3.48Å; Q339-I343 PolarHBondContact O-N 3.21Å; K340-I343 PolarHBondContact O-N 2.87Å; I343-Q345 VanDerWaalsContact C-N 3.31Å; I343-Q345 PolarHBondContact O-N 3.13Å; I343-S346 WeakPolarHBondContact O-CB 3.44Å; I343-S346 PolarHBondContact O-N 3.04Å; I343-S346 PolarHBondContact O-OG 3.23Å; I343-Q353 HydrophobicContact CG2-CB 4.16Å; I343-Q353 HydrophobicContact CG2-CG 4.38Å; I343-Q353 PolarHBondContact O-NE2 2.88Å; I343-E356 HydrophobicContact CD1-CB 4Å; I343-E356 HydrophobicContact CG1-CB 3.96Å; I343-E356 HydrophobicContact CG2-CB 4.21Å; I343-Y357 HydrophobicContact CD1-CD1 4.07Å; I343-Y357 HydrophobicContact CD1-CE1 4.23Å; I343-Y357 HydrophobicContact CD1-CG 4.38Å; I343-Y357 HydrophobicContact CG2-CD2 3.94Å; I343-Y357 HydrophobicContact CG2-CE1 4.45Å; I343-Y357 HydrophobicContact CG2-CE2 3.57Å; I343-Y357 HydrophobicContact CG2-CG 4.49Å; I343-L360 HydrophobicContact CD1-CB 4.26Å; I343-L360 HydrophobicContact CD1-CD2 3.9Å
344E87.1Confident83.8Confident97 Ų9776.9 Ų76.945%0.45338%0.383SS..Hα-helixtrans-66.2-30.3179.6-69.5172.3-176.800113.5K340 F341 F342 S346 Y357 Q479K340-E344 WeakPolarHBondContact O-CG 3.44Å; K340-E344 PolarHBondContact O-N 3.13Å; F341-E344 PolarHBondContact O-N 2.81Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-E344 PolarHBondContact O-N 2.82Å; E344-S346 VanDerWaalsContact C-N 3.34Å; E344-Y357 WeakPolarHBondContact CG-OH 3.41Å; E344-Y357 PolarHBondContact OE1-OH 2.83Å; E344-Q479 PolarHBondContact OE1-NE2 3.3Å
345Q84.5Confident83.7Confident126 Ų12671.8 Ų71.859%0.58936%0.36SS*.Hα-helixtrans-81.2-12.8176.3-68.7-63.3-49.200113.3F341 F342 I343 Q347F341-Q345 HydrophobicContact CD1-CG 4.26Å; F341-Q345 HydrophobicContact CD2-CG 4.43Å; F341-Q345 HydrophobicContact CE1-CG 3.81Å; F341-Q345 HydrophobicContact CE2-CG 4Å; F341-Q345 HydrophobicContact CZ-CG 3.66Å; F341-Q345 VanDerWaalsContact O-CG 3.29Å; F341-Q345 WeakPolarHBondContact O-CG 3.2Å; F341-Q345 PolarHBondContact O-N 3.05Å; F342-Q345 PolarHBondContact O-N 3.1Å; I343-Q345 VanDerWaalsContact C-N 3.31Å; I343-Q345 PolarHBondContact O-N 3.13Å; Q345-Q347 PolarHBondContact O-N 2.87Å
346S77.1Confident83.6Confident31 Ų3172.1 Ų72.122%0.21736%0.361CS..  trans-67.2122.4175.8710000109.7F342 I343 E344 S348 Q353F342-S346 PolarHBondContact O-N 3.48Å; I343-S346 WeakPolarHBondContact O-CB 3.44Å; I343-S346 PolarHBondContact O-N 3.04Å; I343-S346 PolarHBondContact O-OG 3.23Å; E344-S346 VanDerWaalsContact C-N 3.34Å; S346-S348 PolarHBondContact O-N 3.05Å; S346-Q353 PolarHBondContact O-NE2 3Å
347Q67.8Low83.6Confident206 Ų20672.1 Ų72.196%0.96336%0.36SS*.  trans-75.137176.8-64.6-173.8-5.200112.2Q345Q345-Q347 PolarHBondContact O-N 2.87Å
348S68.3Low83.5Confident53 Ų5367.7 Ų67.737%0.37134%0.341SS..  trans-97.1163.9-173.1-57.50000111.7S346 Y352S346-S348 PolarHBondContact O-N 3.05Å; S348-Y352 WeakPolarHBondContact OG-CD1 3.42Å
349E71.2Confident83.5Confident150 Ų15066.2 Ų66.270%0.70133%0.331SS*.  trans-59.4155.3173.5-64.5-171.1171.100112.4S351 Y352 Q353E349-S351 PolarHBondContact O-N 3.09Å; E349-Y352 PolarHBondContact O-N 3.08Å; E349-Q353 PolarHBondContact O-N 3.24Å
350S75.6Confident83.5Confident83 Ų8365.6 Ų65.658%0.5833%0.329SS*.Hα-helixtrans-60.3-33-177.356.60000113.2Q354S350-Q354 VanDerWaalsContact O-CG 3.25Å; S350-Q354 WeakPolarHBondContact O-CG 3.27Å; S350-Q354 PolarHBondContact O-N 3.4Å; S350-Q354 VanDerWaalsContact O-N 3.07Å
351S77.4Confident83.4Confident60 Ų6064.6 Ų64.642%0.4232%0.324SS..Hα-helixtrans-64.5-45.6175.752.90000112.2E349 Q353 Q354 N355E349-S351 PolarHBondContact O-N 3.09Å; S351-Q353 PolarHBondContact O-N 3.33Å; S351-Q354 WeakPolarHBondContact O-CB 3.41Å; S351-Q354 PolarHBondContact O-N 3.01Å; S351-N355 PolarHBondContact O-N 2.6Å
352Y78.3Confident83.5Confident52 Ų5261.4 Ų61.420%0.20431%0.31CS..Hα-helixtrans-61.2-46.3176.8178.7-90.9000111.2F149 S348 E349 Q354 N355 E356F149-Y352 HydrophobicContact CB-CE2 4.33Å; S348-Y352 WeakPolarHBondContact OG-CD1 3.42Å; E349-Y352 PolarHBondContact O-N 3.08Å; Y352-Q354 VanDerWaalsContact C-N 3.29Å; Y352-Q354 PolarHBondContact O-N 3.13Å; Y352-N355 WeakPolarHBondContact O-CB 3.39Å; Y352-N355 PolarHBondContact O-N 3.02Å; Y352-N355 VanDerWaalsContact O-N 3.15Å; Y352-E356 HydrophobicContact CD1-CG 4.06Å; Y352-E356 HydrophobicContact CE1-CG 3.56Å; Y352-E356 HydrophobicContact CE2-CG 4.5Å; Y352-E356 PolarHBondContact O-N 3.13Å
353Q82.7Confident83.8Confident51 Ų5157.3 Ų57.324%0.23829%0.292CS..Hα-helixtrans-60-40.7176.9-69.2-176.4-18.200111.9I343 S346 E349 S351 N355 E356 Y357I343-Q353 HydrophobicContact CG2-CB 4.16Å; I343-Q353 HydrophobicContact CG2-CG 4.38Å; I343-Q353 PolarHBondContact O-NE2 2.88Å; S346-Q353 PolarHBondContact O-NE2 3Å; E349-Q353 PolarHBondContact O-N 3.24Å; S351-Q353 PolarHBondContact O-N 3.33Å; Q353-N355 VanDerWaalsContact C-N 3.34Å; Q353-N355 PolarHBondContact O-N 3.48Å; Q353-E356 PolarHBondContact O-N 3.21Å; Q353-Y357 WeakPolarHBondContact O-CD2 3.45Å; Q353-Y357 PolarHBondContact O-N 3.42Å
354Q84.7Confident84Confident89 Ų8957.1 Ų57.142%0.41629%0.291SS..Hα-helixtrans-61.7-41175.6-73.9173.39.300112.2S350 S351 Y352 Y357 T358S350-Q354 VanDerWaalsContact O-CG 3.25Å; S350-Q354 WeakPolarHBondContact O-CG 3.27Å; S350-Q354 PolarHBondContact O-N 3.4Å; S350-Q354 VanDerWaalsContact O-N 3.07Å; S351-Q354 WeakPolarHBondContact O-CB 3.41Å; S351-Q354 PolarHBondContact O-N 3.01Å; Y352-Q354 VanDerWaalsContact C-N 3.29Å; Y352-Q354 PolarHBondContact O-N 3.13Å; Q354-Y357 PolarHBondContact O-N 2.92Å; Q354-T358 PolarHBondContact O-N 2.9Å; Q354-T358 VanDerWaalsContact O-N 3.1Å; Q354-T358 PolarHBondContact O-OG1 3.46Å
355N84.9Confident84.2Confident27 Ų2752.7 Ų52.714%0.14427%0.27CS..Hα-helixtrans-62.6-45.4174.9-171.331.6000111.6W145 S351 Y352 Q353 Y357 T358 K359W145-N355 PolarHBondContact O-ND2 3.26Å; S351-N355 PolarHBondContact O-N 2.6Å; Y352-N355 WeakPolarHBondContact O-CB 3.39Å; Y352-N355 PolarHBondContact O-N 3.02Å; Y352-N355 VanDerWaalsContact O-N 3.15Å; Q353-N355 VanDerWaalsContact C-N 3.34Å; Q353-N355 PolarHBondContact O-N 3.48Å; N355-Y357 VanDerWaalsContact C-N 3.3Å; N355-Y357 PolarHBondContact O-N 3.35Å; N355-T358 WeakPolarHBondContact O-CA 3.39Å; N355-T358 WeakPolarHBondContact O-CB 3.33Å; N355-T358 PolarHBondContact O-N 3.39Å; N355-K359 WeakPolarHBondContact ND2-CE 3.47Å; N355-K359 PolarHBondContact O-N 3.37Å
356E88.7Confident84.7Confident22 Ų2246.7 Ų46.710%0.10324%0.243CC..Hα-helixtrans-63-34.7177.5-67.4-60.4111.400112.5I343 Y352 Q353 T358 K359 L360I343-E356 HydrophobicContact CD1-CB 4Å; I343-E356 HydrophobicContact CG1-CB 3.96Å; I343-E356 HydrophobicContact CG2-CB 4.21Å; Y352-E356 HydrophobicContact CD1-CG 4.06Å; Y352-E356 HydrophobicContact CE1-CG 3.56Å; Y352-E356 HydrophobicContact CE2-CG 4.5Å; Y352-E356 PolarHBondContact O-N 3.13Å; Q353-E356 PolarHBondContact O-N 3.21Å; E356-T358 VanDerWaalsContact C-N 3.35Å; E356-K359 PolarHBondContact O-N 2.93Å; E356-K359 WeakPolarHBondContact OE1-CD 3.43Å; E356-K359 IonicContact OE1-NZ 3.18Å; E356-K359 PolarHBondContact OE1-NZ 3.03Å; E356-L360 WeakPolarHBondContact O-CB 3.25Å; E356-L360 PolarHBondContact O-N 3.49Å
357Y90.7Very high85.4Confident20 Ų2045.3 Ų45.38%0.07823%0.233CC..Hα-helixtrans-64.1-38.5171.1-82.6-64.9000113K340 I343 E344 Q353 Q354 N355 R361 Q479K340-Y357 HydrophobicContact CB-CE1 4.38Å; K340-Y357 HydrophobicContact CG-CE1 3.97Å; I343-Y357 HydrophobicContact CD1-CD1 4.07Å; I343-Y357 HydrophobicContact CD1-CE1 4.23Å; I343-Y357 HydrophobicContact CD1-CG 4.38Å; I343-Y357 HydrophobicContact CG2-CD2 3.94Å; I343-Y357 HydrophobicContact CG2-CE1 4.45Å; I343-Y357 HydrophobicContact CG2-CE2 3.57Å; I343-Y357 HydrophobicContact CG2-CG 4.49Å; E344-Y357 WeakPolarHBondContact CG-OH 3.41Å; E344-Y357 PolarHBondContact OE1-OH 2.83Å; Q353-Y357 WeakPolarHBondContact O-CD2 3.45Å; Q353-Y357 PolarHBondContact O-N 3.42Å; Q354-Y357 PolarHBondContact O-N 2.92Å; N355-Y357 VanDerWaalsContact C-N 3.3Å; N355-Y357 PolarHBondContact O-N 3.35Å; Y357-R361 WeakPolarHBondContact O-CB 3.33Å; Y357-R361 PolarHBondContact O-N 3.07Å; Y357-R361 VanDerWaalsContact O-N 3.09Å; Y357-Q479 HydrophobicContact CD1-CB 4.38Å; Y357-Q479 HydrophobicContact CD1-CG 4.43Å; Y357-Q479 HydrophobicContact CD2-CB 4.08Å; Y357-Q479 HydrophobicContact CE1-CB 4.1Å; Y357-Q479 HydrophobicContact CE1-CG 3.74Å; Y357-Q479 HydrophobicContact CE2-CB 3.81Å; Y357-Q479 HydrophobicContact CE2-CG 4.07Å; Y357-Q479 HydrophobicContact CG-CB 4.38Å; Y357-Q479 PolarHBondContact OH-NE2 2.97Å
358T89.2Confident86.4Confident29 Ų2936.8 Ų36.818%0.17819%0.193CC..Hα-helixtrans-62.7-47.5173.6-73.50000110.6Q354 N355 E356 L360 R361 E362Q354-T358 PolarHBondContact O-N 2.9Å; Q354-T358 VanDerWaalsContact O-N 3.1Å; Q354-T358 PolarHBondContact O-OG1 3.46Å; N355-T358 WeakPolarHBondContact O-CA 3.39Å; N355-T358 WeakPolarHBondContact O-CB 3.33Å; N355-T358 PolarHBondContact O-N 3.39Å; E356-T358 VanDerWaalsContact C-N 3.35Å; T358-L360 PolarHBondContact O-N 3.03Å; T358-R361 WeakPolarHBondContact O-CB 3.45Å; T358-R361 PolarHBondContact O-N 3.24Å; T358-R361 VanDerWaalsContact O-N 3.12Å; T358-R361 PolarHBondContact OG1-NH2 3.11Å; T358-E362 PolarHBondContact O-N 3.41Å; T358-E362 VanDerWaalsContact O-N 3.07Å
359K91.7Very high87.4Confident6 Ų634.5 Ų34.53%0.02618%0.177CC..Hα-helixtrans-63.7-40.4177.7-63.1179.3-173.4162.20113.3W145 G146 N307 N355 E356 R361 E362 M363W145-K359 WeakPolarHBondContact O-CE 3.1Å; W145-K359 PolarHBondContact O-NZ 3.32Å; G146-K359 PolarHBondContact O-NZ 2.98Å; N307-K359 HydrophobicContact CB-CB 3.59Å; N307-K359 HydrophobicContact CB-CD 4.08Å; N307-K359 HydrophobicContact CB-CG 4.39Å; N355-K359 WeakPolarHBondContact ND2-CE 3.47Å; N355-K359 PolarHBondContact O-N 3.37Å; E356-K359 PolarHBondContact O-N 2.93Å; E356-K359 WeakPolarHBondContact OE1-CD 3.43Å; E356-K359 IonicContact OE1-NZ 3.18Å; E356-K359 PolarHBondContact OE1-NZ 3.03Å; K359-R361 PolarHBondContact O-N 3.35Å; K359-E362 PolarHBondContact O-N 3.02Å; K359-M363 PolarHBondContact O-N 3.34Å
360L93.6Very high88.2Confident7 Ų729 Ų294%0.03715%0.151CC..Hα-helixtrans-62.1-33.8174.8178.860000111.9G306 L336 Q339 K340 I343 E356 T358 M363 N364G306-L360 WeakPolarHBondContact O-CA 3.32Å; G306-L360 PolarHBondContact O-N 2.98Å; L336-L360 HydrophobicContact CD2-CD1 3.92Å; L336-L360 HydrophobicContact CD2-CG 4.32Å; Q339-L360 HydrophobicContact CB-CD1 3.56Å; Q339-L360 HydrophobicContact CB-CD2 3.76Å; Q339-L360 HydrophobicContact CB-CG 4.32Å; Q339-L360 HydrophobicContact CG-CD1 3.91Å; K340-L360 HydrophobicContact CG-CD2 3.78Å; I343-L360 HydrophobicContact CD1-CB 4.26Å; I343-L360 HydrophobicContact CD1-CD2 3.9Å; E356-L360 WeakPolarHBondContact O-CB 3.25Å; E356-L360 PolarHBondContact O-N 3.49Å; T358-L360 PolarHBondContact O-N 3.03Å; L360-M363 PolarHBondContact O-N 2.96Å; L360-N364 WeakPolarHBondContact O-CB 3.28Å; L360-N364 PolarHBondContact O-N 2.96Å
361R90.2Very high89Confident37 Ų3726.7 Ų26.714%0.1413%0.132CC..Hα-helixtrans-69.7-41.5176.4-177178.763.2-122.22.5111.8Y357 T358 K359 M363 N364 Q365 P475 S476Y357-R361 WeakPolarHBondContact O-CB 3.33Å; Y357-R361 PolarHBondContact O-N 3.07Å; Y357-R361 VanDerWaalsContact O-N 3.09Å; T358-R361 WeakPolarHBondContact O-CB 3.45Å; T358-R361 PolarHBondContact O-N 3.24Å; T358-R361 VanDerWaalsContact O-N 3.12Å; T358-R361 PolarHBondContact OG1-NH2 3.11Å; K359-R361 PolarHBondContact O-N 3.35Å; R361-M363 VanDerWaalsContact C-N 3.32Å; R361-M363 PolarHBondContact O-N 3.25Å; R361-N364 WeakPolarHBondContact O-CB 3.45Å; R361-N364 PolarHBondContact O-N 2.97Å; R361-N364 VanDerWaalsContact O-N 3.15Å; R361-Q365 WeakPolarHBondContact O-CG 3.49Å; R361-Q365 PolarHBondContact O-N 3.49Å; R361-P475 VanDerWaalsContact CD-CG 3.45Å; R361-S476 PolarHBondContact NH1-O 3.4Å; R361-S476 VanDerWaalsContact NH1-O 3.12Å
362E92.5Very high89.7Confident42 Ų4223.9 Ų23.920%0.19611%0.112CC..Hα-helixtrans-59.2-43.6172.4-68.2-57.4141.400111.4L308 T358 K359 N364 Q365 Y366 Y376 Y380L308-E362 HydrophobicContact CD1-CB 3.96Å; T358-E362 PolarHBondContact O-N 3.41Å; T358-E362 VanDerWaalsContact O-N 3.07Å; K359-E362 PolarHBondContact O-N 3.02Å; E362-N364 VanDerWaalsContact C-N 3.31Å; E362-N364 PolarHBondContact O-N 3.09Å; E362-Q365 WeakPolarHBondContact O-CB 3.22Å; E362-Q365 PolarHBondContact O-N 3.31Å; E362-Q365 PolarHBondContact OE2-OE1 3.23Å; E362-Y366 PolarHBondContact O-N 3.35Å; E362-Y376 PolarHBondContact OE2-OH 3.25Å; E362-Y380 HydrophobicContact CB-CD2 4.32Å; E362-Y380 HydrophobicContact CB-CE2 4.1Å; E362-Y380 HydrophobicContact CG-CD2 4.32Å; E362-Y380 HydrophobicContact CG-CE2 4.04Å
363M94.7Very high90.5Very high0 Ų021.5 Ų21.50%010%0.102CC..Hα-helixtrans-63-37174.6-168.264.7-12400112.3I304 L308 Y311 L329 K359 L360 R361 Y366 G367I304-M363 HydrophobicContact CD1-CB 4.33Å; I304-M363 HydrophobicContact CD1-CG 3.69Å; I304-M363 HydrophobicContact CG1-CE 4.17Å; I304-M363 HydrophobicContact CG1-CG 3.56Å; L308-M363 HydrophobicContact CD2-CE 4.25Å; L308-M363 HydrophobicContact CD2-SD 3.64Å; L308-M363 HydrophobicContact CG-SD 3.92Å; Y311-M363 HydrophobicContact CD1-CE 4.24Å; Y311-M363 HydrophobicContact CD1-SD 4.46Å; Y311-M363 HydrophobicContact CD2-CE 4.41Å; Y311-M363 HydrophobicContact CG-CE 4.08Å; Y311-M363 HydrophobicContact CG-SD 4.16Å; L329-M363 HydrophobicContact CD2-CE 3.56Å; K359-M363 PolarHBondContact O-N 3.34Å; L360-M363 PolarHBondContact O-N 2.96Å; R361-M363 VanDerWaalsContact C-N 3.32Å; R361-M363 PolarHBondContact O-N 3.25Å; M363-Y366 HydrophobicContact CE-CD1 3.41Å; M363-Y366 VanDerWaalsContact CE-CD1 3.41Å; M363-Y366 HydrophobicContact CE-CE1 4.08Å; M363-Y366 HydrophobicContact CE-CG 4.09Å; M363-Y366 WeakPolarHBondContact O-CB 3.36Å; M363-Y366 PolarHBondContact O-N 3.04Å; M363-G367 PolarHBondContact O-N 2.91Å
364N92.8Very high91.1Very high11 Ų1120 Ų206%0.05910%0.095CC..Hα-helixtrans-66-38.9173.9179.656.6000112.9Y331 L336 L360 R361 E362 G367 H368Y331-N364 PolarHBondContact OH-OD1 3.25Å; L336-N364 HydrophobicContact CD1-CB 4.41Å; L336-N364 WeakPolarHBondContact CD1-OD1 3.3Å; L336-N364 HydrophobicContact CD2-CB 3.9Å; L360-N364 WeakPolarHBondContact O-CB 3.28Å; L360-N364 PolarHBondContact O-N 2.96Å; R361-N364 WeakPolarHBondContact O-CB 3.45Å; R361-N364 PolarHBondContact O-N 2.97Å; R361-N364 VanDerWaalsContact O-N 3.15Å; E362-N364 VanDerWaalsContact C-N 3.31Å; E362-N364 PolarHBondContact O-N 3.09Å; N364-G367 PolarHBondContact O-N 3.22Å; N364-H368 PolarHBondContact O-ND1 3.45Å
365Q91.8Very high91.5Very high4 Ų419.1 Ų19.12%0.0199%0.088CC..Hα-helixtrans-67-40.9176.4-73.9173.32300111.3R361 E362 G367 H368 T369 Y376 T468 A469R361-Q365 WeakPolarHBondContact O-CG 3.49Å; R361-Q365 PolarHBondContact O-N 3.49Å; E362-Q365 WeakPolarHBondContact O-CB 3.22Å; E362-Q365 PolarHBondContact O-N 3.31Å; E362-Q365 PolarHBondContact OE2-OE1 3.23Å; Q365-G367 PolarHBondContact O-N 3.21Å; Q365-H368 CarbonylContact O-C 3.58Å; Q365-H368 WeakPolarHBondContact O-CA 3.44Å; Q365-H368 PolarHBondContact O-N 3.23Å; Q365-T369 PolarHBondContact O-N 3.05Å; Q365-Y376 WeakPolarHBondContact CB-OH 3.42Å; Q365-Y376 PolarHBondContact OE1-OH 3.26Å; Q365-Y376 VanDerWaalsContact OE1-OH 3.1Å; Q365-T468 HydrophobicContact CG-CG2 4.37Å; Q365-T468 VanDerWaalsContact NE2-CG2 3.27Å; Q365-A469 HydrophobicContact CB-CB 3.74Å; Q365-A469 HydrophobicContact CG-CB 4.15Å; Q365-A469 WeakPolarHBondContact O-CB 3.35Å
366Y94.9Very high92Very high1 Ų118.2 Ų18.20%0.0048%0.083CC..Hα-helixtrans-54.5-37.4170.7177.4-91.9000112.5V209 L308 Y311 L329 E362 M363 H368 T369 L373 Y376 I377V209-Y366 HydrophobicContact CG2-CD1 4.31Å; V209-Y366 HydrophobicContact CG2-CE1 3.76Å; L308-Y366 HydrophobicContact CD2-CD1 4.47Å; L308-Y366 HydrophobicContact CD2-CD2 3.94Å; L308-Y366 HydrophobicContact CD2-CG 3.85Å; Y311-Y366 HydrophobicContact CD1-CE1 4.33Å; Y311-Y366 HydrophobicContact CE1-CD1 4.42Å; Y311-Y366 AromaticContact CE1-CE1 3.55Å; Y311-Y366 HydrophobicContact CE1-CE1 3.55Å; Y311-Y366 HydrophobicContact CE1-CE2 4.34Å; Y311-Y366 AromaticContact CE1-CZ 3.5Å; Y311-Y366 VanDerWaalsContact CE1-CZ 3.5Å; Y311-Y366 WeakPolarHBondContact CE1-OH 3.47Å; Y311-Y366 AromaticContact CZ-CE1 3.77Å; Y311-Y366 AromaticContact CZ-CZ 3.98Å; Y311-Y366 PolarHBondContact OH-OH 3.08Å; Y311-Y366 VanDerWaalsContact OH-OH 3.05Å; L329-Y366 HydrophobicContact CD2-CD1 3.92Å; L329-Y366 HydrophobicContact CD2-CE1 3.98Å; E362-Y366 PolarHBondContact O-N 3.35Å; M363-Y366 HydrophobicContact CE-CD1 3.41Å; M363-Y366 VanDerWaalsContact CE-CD1 3.41Å; M363-Y366 HydrophobicContact CE-CE1 4.08Å; M363-Y366 HydrophobicContact CE-CG 4.09Å; M363-Y366 WeakPolarHBondContact O-CB 3.36Å; M363-Y366 PolarHBondContact O-N 3.04Å; Y366-H368 PolarHBondContact O-N 3.35Å; Y366-T369 WeakPolarHBondContact O-CG2 3.44Å; Y366-L373 HydrophobicContact CD2-CD2 4.39Å; Y366-L373 HydrophobicContact CE1-CD2 4.39Å; Y366-L373 HydrophobicContact CE2-CB 3.97Å; Y366-L373 HydrophobicContact CE2-CD2 3.87Å; Y366-L373 HydrophobicContact CE2-CG 4.49Å; Y366-L373 WeakPolarHBondContact CE2-O 3.48Å; Y366-Y376 AromaticContact CD2-CD1 3.72Å; Y366-Y376 HydrophobicContact CD2-CD1 3.72Å; Y366-Y376 HydrophobicContact CD2-CE1 4.43Å; Y366-Y376 HydrophobicContact CD2-CG 4.06Å; Y366-Y376 HydrophobicContact CG-CD1 4.45Å; Y366-I377 HydrophobicContact CD2-CG1 4.22Å; Y366-I377 HydrophobicContact CE2-CD1 3.77Å; Y366-I377 HydrophobicContact CE2-CG1 3.69Å
367G92.2Very high92.2Very high1 Ų117.2 Ų17.21%0.018%0.079CC..THydrogen-bonded Turntrans-65.4-18.5173.400000114.3K211 M363 N364 Q365K211-G367 WeakPolarHBondContact CE-O 3.15Å; K211-G367 PolarHBondContact NZ-O 3.45Å; M363-G367 PolarHBondContact O-N 2.91Å; N364-G367 PolarHBondContact O-N 3.22Å; Q365-G367 PolarHBondContact O-N 3.21Å
368H88.2Confident92.3Very high28 Ų2816.3 Ų16.313%0.138%0.075CC..THydrogen-bonded Turntrans-113.6-20.4-174.1-73.996.4000115.5Y331 N364 Q365 Y366 D465Y331-H368 AromaticContact CE1-CE1 3.68Å; Y331-H368 AromaticContact CZ-CE1 3.5Å; Y331-H368 VanDerWaalsContact CZ-CE1 3.5Å; Y331-H368 AromaticContact CZ-ND1 3.87Å; Y331-H368 PolarHBondContact OH-CE1 3.44Å; N364-H368 PolarHBondContact O-ND1 3.45Å; Q365-H368 CarbonylContact O-C 3.58Å; Q365-H368 WeakPolarHBondContact O-CA 3.44Å; Q365-H368 PolarHBondContact O-N 3.23Å; Y366-H368 PolarHBondContact O-N 3.35Å; H368-D465 HydrophobicContact CB-CB 4.35Å; H368-D465 IonicContact CE1-OD2 2.76Å
369T90.2Very high92.4Very high5 Ų517.6 Ų17.63%0.0318%0.081CC..  trans-58.6150.8-177.7-172.30000112.5Q365 Y366 M371 L373 Y376 N393 E470Q365-T369 PolarHBondContact O-N 3.05Å; Y366-T369 WeakPolarHBondContact O-CG2 3.44Å; T369-M371 VanDerWaalsContact OG1-CB 3.31Å; T369-M371 WeakPolarHBondContact OG1-CB 3.38Å; T369-M371 WeakPolarHBondContact OG1-CG 3.24Å; T369-M371 PolarHBondContact OG1-N 3Å; T369-L373 HydrophobicContact CG2-CD2 3.98Å; T369-Y376 HydrophobicContact CG2-CD2 3.77Å; T369-Y376 HydrophobicContact CG2-CE2 4.35Å; T369-Y376 HydrophobicContact CG2-CG 4.29Å; T369-N393 PolarHBondContact O-ND2 2.9Å; T369-E470 WeakPolarHBondContact CA-OE1 3.48Å; T369-E470 PolarHBondContact OG1-OE1 3.39Å
370Q88.5Confident92.4Very high34 Ų3419.5 Ų19.516%0.1599%0.088CC..  trans-107.7-3.5167.2-63.4-171.6-1200112.7Y466 E470 K502Q370-Y466 HydrophobicContact CB-CE2 3.94Å; Q370-Y466 HydrophobicContact CG-CD2 4.11Å; Q370-Y466 HydrophobicContact CG-CE2 3.63Å; Q370-E470 PolarHBondContact N-OE1 3.49Å; Q370-K502 PolarHBondContact NE2-O 3.28Å
371M90.4Very high92.2Very high35 Ų3519.3 Ų19.317%0.1729%0.087CC..SBendtrans-57.5157.7167.3-58.4179.770.700110.7T369 L373 Y376 N393 E470T369-M371 VanDerWaalsContact OG1-CB 3.31Å; T369-M371 WeakPolarHBondContact OG1-CB 3.38Å; T369-M371 WeakPolarHBondContact OG1-CG 3.24Å; T369-M371 PolarHBondContact OG1-N 3Å; M371-L373 PolarHBondContact O-N 3.01Å; M371-L373 VanDerWaalsContact O-N 3.09Å; M371-Y376 HydrophobicContact SD-CD2 4.44Å; M371-N393 WeakPolarHBondContact O-CB 3.08Å; M371-N393 PolarHBondContact O-ND2 3.01Å; M371-E470 WeakPolarHBondContact CG-OE2 3.22Å; M371-E470 PolarHBondContact N-OE1 3.2Å
372C93.3Very high92.1Very high1 Ų120.1 Ų20.11%0.00711%0.107CC..  trans-48.5121165.4167.20000110.3Q374 R375 Y376 D387 C388C372-Q374 VanDerWaalsContact C-N 3.29Å; C372-Q374 PolarHBondContact O-N 2.87Å; C372-R375 HydrophobicContact CB-CB 3.69Å; C372-R375 WeakPolarHBondContact O-CA 3.48Å; C372-R375 WeakPolarHBondContact O-CB 3.37Å; C372-R375 PolarHBondContact O-N 2.99Å; C372-R375 PolarHBondContact SG-N 2.67Å; C372-Y376 PolarHBondContact O-N 3.33Å; C372-D387 HydrophobicContact CB-CB 3.84Å; C372-D387 VanDerWaalsContact CB-OD1 3.3Å; C372-D387 WeakPolarHBondContact CB-OD1 2.83Å; C372-C388 PolarHBondContact SG-N 3.1Å; C372-C388 PolarHBondContact SG-SG 3.17Å
373L95.4Very high91.8Very high1 Ų119.8 Ų19.81%0.00511%0.105CC..Hα-helixtrans-60.4-39-176.2-66.5175.5000112.1F207 V209 Y366 T369 M371 Y376 I377 C391 S392 N393F207-L373 HydrophobicContact CB-CB 3.94Å; F207-L373 HydrophobicContact CB-CD1 4.04Å; V209-L373 HydrophobicContact CB-CD1 4.43Å; V209-L373 HydrophobicContact CG2-CD1 3.8Å; V209-L373 HydrophobicContact CG2-CD2 3.79Å; V209-L373 HydrophobicContact CG2-CG 4.48Å; Y366-L373 HydrophobicContact CD2-CD2 4.39Å; Y366-L373 HydrophobicContact CE1-CD2 4.39Å; Y366-L373 HydrophobicContact CE2-CB 3.97Å; Y366-L373 HydrophobicContact CE2-CD2 3.87Å; Y366-L373 HydrophobicContact CE2-CG 4.49Å; Y366-L373 WeakPolarHBondContact CE2-O 3.48Å; T369-L373 HydrophobicContact CG2-CD2 3.98Å; M371-L373 PolarHBondContact O-N 3.01Å; M371-L373 VanDerWaalsContact O-N 3.09Å; L373-Y376 PolarHBondContact O-N 2.85Å; L373-I377 WeakPolarHBondContact O-CG1 3.49Å; L373-I377 PolarHBondContact O-N 3.33Å; L373-C391 HydrophobicContact CB-CB 3.99Å; L373-C391 HydrophobicContact CD1-CB 4.23Å; L373-C391 HydrophobicContact CG-CB 4.34Å; L373-C391 PolarHBondContact N-SG 3.16Å; L373-S392 WeakPolarHBondContact CD1-OG 3.3Å; L373-N393 WeakPolarHBondContact CD2-ND2 3.26Å; L373-N393 HydrophobicContact CG-CB 4.39Å
374Q94.7Very high91.4Very high19 Ų1924.7 Ų24.79%0.08913%0.131CC..Hα-helixtrans-63.8-46.9174.8-172.9179.3-7500110R202 F207 C372 Y376 I377 L378 C388R202-Q374 PolarHBondContact O-OE1 3.4Å; F207-Q374 HydrophobicContact CD2-CB 4.16Å; F207-Q374 HydrophobicContact CE2-CB 4.34Å; F207-Q374 HydrophobicContact CE2-CG 4.28Å; C372-Q374 VanDerWaalsContact C-N 3.29Å; C372-Q374 PolarHBondContact O-N 2.87Å; Q374-Y376 VanDerWaalsContact C-N 3.29Å; Q374-Y376 PolarHBondContact O-N 3.08Å; Q374-I377 WeakPolarHBondContact O-CB 3.39Å; Q374-I377 PolarHBondContact O-N 3.23Å; Q374-I377 VanDerWaalsContact O-N 3.08Å; Q374-L378 HydrophobicContact CG-CD1 4.2Å; Q374-L378 HydrophobicContact CG-CG 4.33Å; Q374-L378 VanDerWaalsContact O-CG 3.3Å; Q374-L378 WeakPolarHBondContact O-CG 3.37Å; Q374-L378 PolarHBondContact O-N 3.31Å; Q374-C388 HydrophobicContact CB-CB 3.98Å
375R93.6Very high91.2Very high71 Ų7128.9 Ų28.927%0.26815%0.151SC..Hα-helixtrans-59.8-39.4179-173.6178-176.1-1742.1111.9C372 I377 L378 N379 D384 Q385 D387C372-R375 HydrophobicContact CB-CB 3.69Å; C372-R375 WeakPolarHBondContact O-CA 3.48Å; C372-R375 WeakPolarHBondContact O-CB 3.37Å; C372-R375 PolarHBondContact O-N 2.99Å; C372-R375 PolarHBondContact SG-N 2.67Å; R375-I377 VanDerWaalsContact C-N 3.34Å; R375-I377 PolarHBondContact O-N 3.5Å; R375-L378 PolarHBondContact O-N 2.97Å; R375-N379 WeakPolarHBondContact O-CB 3.49Å; R375-N379 VanDerWaalsContact O-CG 3.3Å; R375-N379 PolarHBondContact O-N 2.95Å; R375-D384 IonicContact CZ-OD1 2.91Å; R375-D384 IonicContact NE-OD1 2.73Å; R375-D384 PolarHBondContact NE-OD1 3.42Å; R375-D384 IonicContact NH2-OD1 3.16Å; R375-D384 PolarHBondContact NH2-OD1 3.12Å; R375-D384 IonicContact NH2-OD2 2.68Å; R375-Q385 WeakPolarHBondContact CD-O 3.45Å; R375-Q385 VanDerWaalsContact CG-O 3.3Å; R375-Q385 WeakPolarHBondContact CG-O 3.23Å; R375-Q385 PolarHBondContact NE-O 3.09Å; R375-D387 WeakPolarHBondContact CD-OD1 3.33Å; R375-D387 IonicContact NH1-OD1 2.84Å
376Y94.4Very high91.1Very high8 Ų833.3 Ų33.33%0.03118%0.18CC..Hα-helixtrans-56.9-47.8173.6-168.3-71.5000111.5L308 E362 Q365 Y366 T369 M371 C372 L373 Q374 L378 N379 Y380L308-Y376 HydrophobicContact CD1-CD1 4.21Å; L308-Y376 HydrophobicContact CD1-CE1 3.73Å; E362-Y376 PolarHBondContact OE2-OH 3.25Å; Q365-Y376 WeakPolarHBondContact CB-OH 3.42Å; Q365-Y376 PolarHBondContact OE1-OH 3.26Å; Q365-Y376 VanDerWaalsContact OE1-OH 3.1Å; Y366-Y376 AromaticContact CD2-CD1 3.72Å; Y366-Y376 HydrophobicContact CD2-CD1 3.72Å; Y366-Y376 HydrophobicContact CD2-CE1 4.43Å; Y366-Y376 HydrophobicContact CD2-CG 4.06Å; Y366-Y376 HydrophobicContact CG-CD1 4.45Å; T369-Y376 HydrophobicContact CG2-CD2 3.77Å; T369-Y376 HydrophobicContact CG2-CE2 4.35Å; T369-Y376 HydrophobicContact CG2-CG 4.29Å; M371-Y376 HydrophobicContact SD-CD2 4.44Å; C372-Y376 PolarHBondContact O-N 3.33Å; L373-Y376 PolarHBondContact O-N 2.85Å; Q374-Y376 VanDerWaalsContact C-N 3.29Å; Q374-Y376 PolarHBondContact O-N 3.08Å; Y376-L378 VanDerWaalsContact C-N 3.35Å; Y376-L378 PolarHBondContact O-N 2.74Å; Y376-N379 PolarHBondContact O-N 3.23Å; Y376-Y380 PolarHBondContact O-N 3.28Å
377I93.8Very high91.1Very high2 Ų237.6 Ų37.61%0.0120%0.203CC..Hα-helixtrans-62.7-42.5177.4-65.4159.2000111F207 L308 Y311 Y312 Y366 L373 Q374 R375 Y380 F381F207-I377 HydrophobicContact CD1-CD1 3.99Å; F207-I377 HydrophobicContact CD2-CD1 4.36Å; F207-I377 HydrophobicContact CE1-CD1 3.73Å; F207-I377 HydrophobicContact CE2-CD1 4.13Å; F207-I377 HydrophobicContact CG-CD1 4.29Å; F207-I377 HydrophobicContact CZ-CD1 3.81Å; L308-I377 HydrophobicContact CD2-CG1 4.41Å; Y311-I377 HydrophobicContact CE1-CD1 4.12Å; Y312-I377 HydrophobicContact CD2-CG2 3.75Å; Y312-I377 HydrophobicContact CE2-CG2 4.28Å; Y312-I377 HydrophobicContact CG-CG2 4.19Å; Y366-I377 HydrophobicContact CD2-CG1 4.22Å; Y366-I377 HydrophobicContact CE2-CD1 3.77Å; Y366-I377 HydrophobicContact CE2-CG1 3.69Å; L373-I377 WeakPolarHBondContact O-CG1 3.49Å; L373-I377 PolarHBondContact O-N 3.33Å; Q374-I377 WeakPolarHBondContact O-CB 3.39Å; Q374-I377 PolarHBondContact O-N 3.23Å; Q374-I377 VanDerWaalsContact O-N 3.08Å; R375-I377 VanDerWaalsContact C-N 3.34Å; R375-I377 PolarHBondContact O-N 3.5Å; I377-Y380 WeakPolarHBondContact O-CB 3.45Å; I377-Y380 PolarHBondContact O-N 2.91Å; I377-F381 HydrophobicContact CG2-CD2 3.82Å; I377-F381 HydrophobicContact CG2-CE2 3.64Å; I377-F381 WeakPolarHBondContact O-CD2 3.42Å; I377-F381 PolarHBondContact O-N 3.49Å
378L92Very high91.1Very high1 Ų139 Ų391%0.00521%0.212CC..Hα-helixtrans-62.2-46.4178.2-63.2-179.8000111F200 A201 Q374 R375 Y376 Y380 F381 G382 E383 Q385F200-L378 HydrophobicContact CB-CD2 3.53Å; A201-L378 HydrophobicContact CB-CD1 4.29Å; A201-L378 HydrophobicContact CB-CD2 4.3Å; Q374-L378 HydrophobicContact CG-CD1 4.2Å; Q374-L378 HydrophobicContact CG-CG 4.33Å; Q374-L378 VanDerWaalsContact O-CG 3.3Å; Q374-L378 WeakPolarHBondContact O-CG 3.37Å; Q374-L378 PolarHBondContact O-N 3.31Å; R375-L378 PolarHBondContact O-N 2.97Å; Y376-L378 VanDerWaalsContact C-N 3.35Å; Y376-L378 PolarHBondContact O-N 2.74Å; L378-Y380 VanDerWaalsContact C-N 3.27Å; L378-Y380 PolarHBondContact O-N 2.6Å; L378-F381 CarbonylContact O-C 3.59Å; L378-F381 WeakPolarHBondContact O-CA 3.49Å; L378-F381 PolarHBondContact O-N 3.48Å; L378-G382 PolarHBondContact O-N 2.9Å; L378-G382 VanDerWaalsContact O-N 3.08Å; L378-E383 CarbonylContact C-O 3.52Å; L378-E383 HydrophobicContact CB-CB 4.07Å; L378-E383 WeakPolarHBondContact CB-O 3.34Å; L378-E383 PolarHBondContact O-N 3.18Å; L378-E383 VanDerWaalsContact O-O 3.11Å; L378-Q385 HydrophobicContact CD1-CB 3.67Å; L378-Q385 HydrophobicContact CD1-CG 3.76Å
379N91.9Very high91.3Very high56 Ų5640.1 Ų40.130%0.29923%0.231SC..Hα-helixtrans-58.5-41.8177.5-74.7-6.8000111R375 Y376 F381 G382 E383R375-N379 WeakPolarHBondContact O-CB 3.49Å; R375-N379 VanDerWaalsContact O-CG 3.3Å; R375-N379 PolarHBondContact O-N 2.95Å; Y376-N379 PolarHBondContact O-N 3.23Å; N379-F381 VanDerWaalsContact C-N 3.26Å; N379-F381 PolarHBondContact O-N 3.45Å; N379-G382 PolarHBondContact O-N 3.07Å; N379-E383 VanDerWaalsContact CA-O 3.31Å; N379-E383 WeakPolarHBondContact CA-O 3.48Å; N379-E383 PolarHBondContact N-O 3.15Å; N379-E383 PolarHBondContact OD1-O 3.12Å; N379-E383 VanDerWaalsContact OD1-O 3.07Å
380Y91.4Very high91.4Very high45 Ų4542.2 Ų42.218%0.17624%0.24CC..Hα-helixtrans-57.2-39175.1179.1-94.7000112.5T177 L308 E309 E362 Y376 I377 L378 G382T177-Y380 HydrophobicContact CG2-CD1 4.35Å; T177-Y380 HydrophobicContact CG2-CE1 3.73Å; L308-Y380 HydrophobicContact CB-CD1 4.01Å; L308-Y380 HydrophobicContact CB-CE1 4Å; L308-Y380 HydrophobicContact CB-CE2 4.48Å; L308-Y380 HydrophobicContact CB-CG 4.27Å; L308-Y380 HydrophobicContact CD1-CD1 4.33Å; L308-Y380 HydrophobicContact CD1-CD2 3.62Å; L308-Y380 HydrophobicContact CD1-CE2 4.12Å; L308-Y380 HydrophobicContact CD1-CG 3.74Å; E309-Y380 HydrophobicContact CG-CE1 4.01Å; E309-Y380 PolarHBondContact OE1-OH 2.95Å; E309-Y380 PolarHBondContact OE2-OH 3.38Å; E362-Y380 HydrophobicContact CB-CD2 4.32Å; E362-Y380 HydrophobicContact CB-CE2 4.1Å; E362-Y380 HydrophobicContact CG-CD2 4.32Å; E362-Y380 HydrophobicContact CG-CE2 4.04Å; Y376-Y380 PolarHBondContact O-N 3.28Å; I377-Y380 WeakPolarHBondContact O-CB 3.45Å; I377-Y380 PolarHBondContact O-N 2.91Å; L378-Y380 VanDerWaalsContact C-N 3.27Å; L378-Y380 PolarHBondContact O-N 2.6Å; Y380-G382 VanDerWaalsContact C-N 3.3Å
381F90.5Very high91.7Very high3 Ų340.6 Ų40.61%0.01323%0.232CC..THydrogen-bonded Turntrans-86.24.8176.3-67.6-63.5000114.4T175 T177 F200 E309 Y312 I377 L378 N379T175-F381 HydrophobicContact CG2-CE1 4.38Å; T175-F381 HydrophobicContact CG2-CZ 4.09Å; T177-F381 HydrophobicContact CG2-CD1 4.2Å; T177-F381 HydrophobicContact CG2-CE1 4.46Å; F200-F381 HydrophobicContact CB-CD2 4.27Å; F200-F381 HydrophobicContact CD1-CB 4.05Å; F200-F381 HydrophobicContact CD1-CD1 4.34Å; F200-F381 AromaticContact CD1-CD2 3.93Å; F200-F381 HydrophobicContact CD1-CD2 3.93Å; F200-F381 HydrophobicContact CD1-CE2 4.48Å; F200-F381 AromaticContact CD1-CG 3.86Å; F200-F381 HydrophobicContact CD1-CG 3.86Å; F200-F381 HydrophobicContact CD2-CB 3.49Å; F200-F381 VanDerWaalsContact CD2-CB 3.49Å; F200-F381 HydrophobicContact CD2-CG 4.21Å; F200-F381 HydrophobicContact CE1-CB 3.98Å; F200-F381 AromaticContact CE1-CD1 3.96Å; F200-F381 HydrophobicContact CE1-CD1 3.96Å; F200-F381 HydrophobicContact CE1-CD2 4.37Å; F200-F381 AromaticContact CE1-CG 3.86Å; F200-F381 HydrophobicContact CE1-CG 3.86Å; F200-F381 HydrophobicContact CE2-CB 3.46Å; F200-F381 VanDerWaalsContact CE2-CB 3.46Å; F200-F381 HydrophobicContact CE2-CG 4.26Å; F200-F381 HydrophobicContact CG-CB 3.81Å; F200-F381 HydrophobicContact CG-CD2 4.03Å; F200-F381 HydrophobicContact CG-CG 4.03Å; F200-F381 HydrophobicContact CZ-CB 3.67Å; F200-F381 HydrophobicContact CZ-CD1 4.2Å; F200-F381 HydrophobicContact CZ-CG 4.05Å; E309-F381 HydrophobicContact CG-CE1 3.99Å; E309-F381 HydrophobicContact CG-CZ 4.24Å; Y312-F381 AromaticContact CD1-CE2 3.73Å; Y312-F381 HydrophobicContact CD1-CE2 3.73Å; Y312-F381 AromaticContact CD1-CZ 3.98Å; Y312-F381 HydrophobicContact CD1-CZ 3.98Å; Y312-F381 HydrophobicContact CE1-CE2 4.32Å; Y312-F381 AromaticContact CG-CE2 3.86Å; Y312-F381 HydrophobicContact CG-CE2 3.86Å; Y312-F381 HydrophobicContact CG-CZ 4.31Å; I377-F381 HydrophobicContact CG2-CD2 3.82Å; I377-F381 HydrophobicContact CG2-CE2 3.64Å; I377-F381 WeakPolarHBondContact O-CD2 3.42Å; I377-F381 PolarHBondContact O-N 3.49Å; L378-F381 CarbonylContact O-C 3.59Å; L378-F381 WeakPolarHBondContact O-CA 3.49Å; L378-F381 PolarHBondContact O-N 3.48Å; N379-F381 VanDerWaalsContact C-N 3.26Å; N379-F381 PolarHBondContact O-N 3.45Å
382G86.8Confident91.8Very high54 Ų5440.4 Ų40.456%0.55724%0.235SC*.THydrogen-bonded Turntrans86.521.117700000115.1L378 N379 Y380L378-G382 PolarHBondContact O-N 2.9Å; L378-G382 VanDerWaalsContact O-N 3.08Å; N379-G382 PolarHBondContact O-N 3.07Å; Y380-G382 VanDerWaalsContact C-N 3.3Å
383E87.1Confident91.7Very high35 Ų3541.2 Ų41.216%0.16424%0.239CC..  trans-113.5129173.9-72.5-177.5-17300111.2G199 F200 L378 N379G199-E383 WeakPolarHBondContact CA-OE1 3.15Å; G199-E383 WeakPolarHBondContact CA-OE2 3.33Å; G199-E383 PolarHBondContact N-OE1 3.04Å; F200-E383 VanDerWaalsContact CD2-CD 3.42Å; F200-E383 HydrophobicContact CD2-CG 4.02Å; F200-E383 VanDerWaalsContact CD2-OE1 3.23Å; F200-E383 WeakPolarHBondContact CD2-OE1 3.46Å; F200-E383 HydrophobicContact CE2-CG 4.39Å; F200-E383 PolarHBondContact N-OE1 3.5Å; F200-E383 PolarHBondContact N-OE2 3.35Å; L378-E383 CarbonylContact C-O 3.52Å; L378-E383 HydrophobicContact CB-CB 4.07Å; L378-E383 WeakPolarHBondContact CB-O 3.34Å; L378-E383 PolarHBondContact O-N 3.18Å; L378-E383 VanDerWaalsContact O-O 3.11Å; N379-E383 VanDerWaalsContact CA-O 3.31Å; N379-E383 WeakPolarHBondContact CA-O 3.48Å; N379-E383 PolarHBondContact N-O 3.15Å; N379-E383 PolarHBondContact OD1-O 3.12Å; N379-E383 VanDerWaalsContact OD1-O 3.07Å
384D86.5Confident91.4Very high103 Ų10342.9 Ų42.955%0.55125%0.25SC*.  trans-103.1126.7167.9-171.622.1000109.5R375R375-D384 IonicContact CZ-OD1 2.91Å; R375-D384 IonicContact NE-OD1 2.73Å; R375-D384 PolarHBondContact NE-OD1 3.42Å; R375-D384 IonicContact NH2-OD1 3.16Å; R375-D384 PolarHBondContact NH2-OD1 3.12Å; R375-D384 IonicContact NH2-OD2 2.68Å
385Q87.5Confident91.1Very high99 Ų9947.5 Ų47.546%0.46328%0.275SS..  trans-139.5156.5-179.9-73.5-65.2-55.100109.7R375 L378R375-Q385 WeakPolarHBondContact CD-O 3.45Å; R375-Q385 VanDerWaalsContact CG-O 3.3Å; R375-Q385 WeakPolarHBondContact CG-O 3.23Å; R375-Q385 PolarHBondContact NE-O 3.09Å; L378-Q385 HydrophobicContact CD1-CB 3.67Å; L378-Q385 HydrophobicContact CD1-CG 3.76Å
386P90.7Very high90.6Very high97 Ų9745.3 Ų45.363%0.6327%0.268SS*.  trans-58.6162.6172.3-22.533.8000113.1
387D93.2Very high89.9Confident92 Ų9252.4 Ų52.449%0.49231%0.307SS..  trans-59138.8175.4-72.2-0.7000111.5C372 R375 G389C372-D387 HydrophobicContact CB-CB 3.84Å; C372-D387 VanDerWaalsContact CB-OD1 3.3Å; C372-D387 WeakPolarHBondContact CB-OD1 2.83Å; R375-D387 WeakPolarHBondContact CD-OD1 3.33Å; R375-D387 IonicContact NH1-OD1 2.84Å; D387-G389 VanDerWaalsContact C-N 3.31Å; D387-G389 PolarHBondContact O-N 3.49Å
388C92.8Very high89.2Confident29 Ų2956.9 Ų56.920%0.19632%0.324CS..  trans-77.4-12.5-169.272.50000114.7C372 Q374 K390 C391C372-C388 PolarHBondContact SG-N 3.1Å; C372-C388 PolarHBondContact SG-SG 3.17Å; Q374-C388 HydrophobicContact CB-CB 3.98Å; C388-K390 HydrophobicContact CB-CG 4.21Å; C388-K390 PolarHBondContact O-N 3.39Å; C388-K390 VanDerWaalsContact O-N 3.11Å; C388-C391 PolarHBondContact SG-N 2.72Å; C388-C391 VanDerWaalsContact SG-N 3.4Å
389G92.2Very high88.6Confident52 Ų5263.6 Ų63.654%0.53636%0.355SS..SBendtrans70.9-2.5179.600000116.6D387 L395D387-G389 VanDerWaalsContact C-N 3.31Å; D387-G389 PolarHBondContact O-N 3.49Å; G389-L395 WeakPolarHBondContact O-CD2 3.42Å
390K92.9Very high88.2Confident50 Ų5065.8 Ų65.822%0.21737%0.366CS..  trans-130.2-13.6-171.362176.4169.51560116.1R202 E203 L205 C388 L395R202-K390 PolarHBondContact O-NZ 2.97Å; E203-K390 PolarHBondContact O-NZ 2.9Å; L205-K390 WeakPolarHBondContact O-CE 3.37Å; L205-K390 PolarHBondContact O-NZ 3.36Å; C388-K390 HydrophobicContact CB-CG 4.21Å; C388-K390 PolarHBondContact O-N 3.39Å; C388-K390 VanDerWaalsContact O-N 3.11Å; K390-L395 WeakPolarHBondContact O-CD1 3.38Å
391C94.6Very high88Confident0 Ų066.1 Ų66.10%037%0.373CS..SBendtrans-76.5162.9177.778.90000111F207 L373 C388 N393 C394 L395F207-C391 HydrophobicContact CB-CB 4.35Å; F207-C391 CarbonylContact O-C 3.58Å; F207-C391 VanDerWaalsContact O-CA 3.22Å; F207-C391 WeakPolarHBondContact O-CA 3.31Å; F207-C391 VanDerWaalsContact O-CB 3.28Å; F207-C391 WeakPolarHBondContact O-CB 3.48Å; L373-C391 HydrophobicContact CB-CB 3.99Å; L373-C391 HydrophobicContact CD1-CB 4.23Å; L373-C391 HydrophobicContact CG-CB 4.34Å; L373-C391 PolarHBondContact N-SG 3.16Å; C388-C391 PolarHBondContact SG-N 2.72Å; C388-C391 VanDerWaalsContact SG-N 3.4Å; C391-N393 PolarHBondContact O-N 3.22Å; C391-N393 VanDerWaalsContact O-N 3.09Å; C391-C394 PolarHBondContact O-N 3.32Å; C391-C394 PolarHBondContact SG-N 3.08Å; C391-C394 PolarHBondContact SG-SG 3.5Å; C391-L395 WeakPolarHBondContact O-CG 3.3Å; C391-L395 PolarHBondContact O-N 3.2Å
392S91.6Very high88.1Confident31 Ų3169.9 Ų69.922%0.21739%0.393CS..THydrogen-bonded Turntrans-54.5-34.4-178.461.90000113.3F207 V209 L373 D396F207-S392 PolarHBondContact O-N 3.33Å; V209-S392 PolarHBondContact N-OG 3.12Å; L373-S392 WeakPolarHBondContact CD1-OG 3.3Å; S392-D396 VanDerWaalsContact O-CB 3.31Å; S392-D396 WeakPolarHBondContact O-CB 3.49Å; S392-D396 PolarHBondContact O-N 3.2Å
393N91.3Very high88.4Confident17 Ų1767.8 Ų67.89%0.09137%0.369CS..THydrogen-bonded Turntrans-74.8-31.3178.3-72-0.4000113.6T369 M371 L373 C391 K502T369-N393 PolarHBondContact O-ND2 2.9Å; M371-N393 WeakPolarHBondContact O-CB 3.08Å; M371-N393 PolarHBondContact O-ND2 3.01Å; L373-N393 WeakPolarHBondContact CD2-ND2 3.26Å; L373-N393 HydrophobicContact CG-CB 4.39Å; C391-N393 PolarHBondContact O-N 3.22Å; C391-N393 VanDerWaalsContact O-N 3.09Å; N393-K502 PolarHBondContact O-NZ 3.03Å
394C90.4Very high88.8Confident36 Ų3666.8 Ų66.824%0.24337%0.365CS..THydrogen-bonded Turntrans-74.3-34.8174.1-66.40000111.7C391 D396C391-C394 PolarHBondContact O-N 3.32Å; C391-C394 PolarHBondContact SG-N 3.08Å; C391-C394 PolarHBondContact SG-SG 3.5Å; C394-D396 VanDerWaalsContact C-N 3.31Å
395L88.2Confident89.3Confident117 Ų11766.1 Ų66.161%0.61337%0.365SS*.SBendtrans-84.1-7.7178.5-61.4179.1000113.2G389 K390 C391 D397G389-L395 WeakPolarHBondContact O-CD2 3.42Å; K390-L395 WeakPolarHBondContact O-CD1 3.38Å; C391-L395 WeakPolarHBondContact O-CG 3.3Å; C391-L395 PolarHBondContact O-N 3.2Å; L395-D397 PolarHBondContact O-N 2.87Å
396D83.7Confident89.7Confident25 Ų2562.5 Ų62.513%0.13435%0.349CS..  trans-70.1110.4178.3-176.66.7000110.6S392 C394 R398 K502S392-D396 VanDerWaalsContact O-CB 3.31Å; S392-D396 WeakPolarHBondContact O-CB 3.49Å; S392-D396 PolarHBondContact O-N 3.2Å; C394-D396 VanDerWaalsContact C-N 3.31Å; D396-R398 VanDerWaalsContact CG-NE 3.26Å; D396-R398 WeakPolarHBondContact OD1-CB 3.46Å; D396-R398 WeakPolarHBondContact OD1-CD 3.38Å; D396-R398 WeakPolarHBondContact OD1-CG 3.45Å; D396-R398 IonicContact OD1-CZ 3.01Å; D396-R398 PolarHBondContact OD1-N 3.45Å; D396-R398 VanDerWaalsContact OD1-N 3.1Å; D396-R398 IonicContact OD1-NE 3.37Å; D396-R398 PolarHBondContact OD1-NE 3.47Å; D396-R398 IonicContact OD1-NH2 3.58Å; D396-R398 IonicContact OD2-CZ 2.7Å; D396-R398 IonicContact OD2-NE 3.77Å; D396-R398 PolarHBondContact OD2-NE 2.9Å; D396-R398 IonicContact OD2-NH2 3.72Å; D396-R398 PolarHBondContact OD2-NH2 3.31Å; D396-K502 HydrophobicContact CB-CD 3.99Å; D396-K502 PolarHBondContact O-NZ 2.98Å; D396-K502 WeakPolarHBondContact OD2-CD 3.48Å
397D79.2Confident90Very high157 Ų15757.9 Ų57.984%0.8432%0.319SS*.  trans-93.66.4-178.766.2-15.8000113.3L395L395-D397 PolarHBondContact O-N 2.87Å
398R79.5Confident90.2Very high96 Ų9656.3 Ų56.336%0.36231%0.309SS..  trans-58.8146.8175.4-71.1179-60.5176.61.5111.7D396 K502D396-R398 VanDerWaalsContact CG-NE 3.26Å; D396-R398 WeakPolarHBondContact OD1-CB 3.46Å; D396-R398 WeakPolarHBondContact OD1-CD 3.38Å; D396-R398 WeakPolarHBondContact OD1-CG 3.45Å; D396-R398 IonicContact OD1-CZ 3.01Å; D396-R398 PolarHBondContact OD1-N 3.45Å; D396-R398 VanDerWaalsContact OD1-N 3.1Å; D396-R398 IonicContact OD1-NE 3.37Å; D396-R398 PolarHBondContact OD1-NE 3.47Å; D396-R398 IonicContact OD1-NH2 3.58Å; D396-R398 IonicContact OD2-CZ 2.7Å; D396-R398 IonicContact OD2-NE 3.77Å; D396-R398 PolarHBondContact OD2-NE 2.9Å; D396-R398 IonicContact OD2-NH2 3.72Å; D396-R398 PolarHBondContact OD2-NH2 3.31Å; R398-K502 HydrophobicContact CB-CB 4.2Å
399E78.2Confident90.4Very high142 Ų14257 Ų5766%0.66431%0.308SS*.  trans-62.9135.6179.3-170.2175.9-177.900111.5V401 K502 Q503E399-V401 PolarHBondContact O-N 2.94Å; E399-K502 WeakPolarHBondContact O-CA 3.41Å; E399-Q503 PolarHBondContact O-N 3.39Å
400L84.1Confident90.7Very high101 Ų10154.6 Ų54.653%0.52928%0.283SS..EExtended strand (participates in β ladder)trans-76.4113.2170.7-75169.4000108.8Y500 K502L400-Y500 HydrophobicContact CB-CD1 4.38Å; L400-K502 HydrophobicContact CD2-CG 3.59Å; L400-K502 HydrophobicContact CG-CG 4.31Å
401V87.4Confident91Very high53 Ų5352.2 Ų52.232%0.32127%0.273SS..EExtended strand (participates in β ladder)trans-96.5131.1175.1-178.80000108.7E399 I403 Y500 R501 Q503E399-V401 PolarHBondContact O-N 2.94Å; V401-I403 HydrophobicContact CG1-CG2 4.37Å; V401-I403 PolarHBondContact O-N 2.9Å; V401-Y500 CarbonylContact O-C 3.52Å; V401-Y500 WeakPolarHBondContact O-CA 3.36Å; V401-R501 PolarHBondContact N-O 3Å; V401-R501 PolarHBondContact O-N 2.95Å; V401-Q503 HydrophobicContact CB-CG 4.24Å; V401-Q503 HydrophobicContact CG2-CB 3.97Å; V401-Q503 HydrophobicContact CG2-CG 4.13Å
402D92.1Very high91.1Very high82 Ų8253.6 Ų53.644%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-67.1117.1169.8-177.90.9000109.6T404 Y500D402-T404 WeakPolarHBondContact OD1-CB 3.49Å; D402-T404 PolarHBondContact OD1-N 3.16Å; D402-T404 PolarHBondContact OD1-OG1 3.35Å; D402-Y500 HydrophobicContact CB-CD1 4.12Å; D402-Y500 HydrophobicContact CB-CE1 3.84Å
403I93.7Very high91.4Very high9 Ų952.1 Ų52.15%0.04627%0.272CS..  trans-117.222.717762.1155.4000111.5V401 T405 D406 T407 L463 Y466 V499 R501V401-I403 HydrophobicContact CG1-CG2 4.37Å; V401-I403 PolarHBondContact O-N 2.9Å; I403-T405 VanDerWaalsContact C-N 3.32Å; I403-T405 PolarHBondContact O-N 3.25Å; I403-D406 PolarHBondContact O-N 2.63Å; I403-T407 WeakPolarHBondContact O-CB 3.44Å; I403-T407 PolarHBondContact O-N 2.95Å; I403-T407 PolarHBondContact O-OG1 3.09Å; I403-L463 HydrophobicContact CD1-CD1 3.69Å; I403-Y466 HydrophobicContact CD1-CD1 4.22Å; I403-Y466 HydrophobicContact CD1-CE1 3.86Å; I403-V499 CarbonylContact C-O 3.48Å; I403-V499 HydrophobicContact CD1-CG1 4.07Å; I403-V499 HydrophobicContact CG1-CB 4.33Å; I403-V499 HydrophobicContact CG1-CG1 3.95Å; I403-V499 VanDerWaalsContact CG1-O 3.25Å; I403-V499 WeakPolarHBondContact CG1-O 3.37Å; I403-V499 PolarHBondContact N-O 2.81Å; I403-R501 HydrophobicContact CD1-CB 3.56Å; I403-R501 HydrophobicContact CD1-CG 4.31Å; I403-R501 HydrophobicContact CG1-CB 3.86Å; I403-R501 HydrophobicContact CG2-CB 4.19Å
404T95.7Very high91.7Very high14 Ų1451.4 Ų51.49%0.08627%0.269CS..Hα-helixtrans-55.8-46.5-177-60.10000111.2D402 T407 Q408 V492 E498 V499D402-T404 WeakPolarHBondContact OD1-CB 3.49Å; D402-T404 PolarHBondContact OD1-N 3.16Å; D402-T404 PolarHBondContact OD1-OG1 3.35Å; T404-T407 WeakPolarHBondContact O-CB 3.31Å; T404-T407 PolarHBondContact O-N 2.91Å; T404-Q408 HydrophobicContact CG2-CG 4.5Å; T404-Q408 WeakPolarHBondContact O-CB 3.22Å; T404-Q408 VanDerWaalsContact O-CG 3.3Å; T404-Q408 WeakPolarHBondContact O-CG 3.33Å; T404-Q408 PolarHBondContact O-N 2.89Å; T404-V492 HydrophobicContact CG2-CG1 4.37Å; T404-E498 VanDerWaalsContact OG1-CA 3.3Å; T404-E498 WeakPolarHBondContact OG1-CA 3.31Å; T404-V499 PolarHBondContact N-O 3.29Å; T404-V499 PolarHBondContact OG1-N 2.97Å
405T95.9Very high92Very high89 Ų8954.5 Ų54.555%0.54628%0.278SS..Hα-helixtrans-64-44.9179.7-54.50000112.1I403 T407 Q408 K409I403-T405 VanDerWaalsContact C-N 3.32Å; I403-T405 PolarHBondContact O-N 3.25Å; T405-T407 VanDerWaalsContact C-N 3.29Å; T405-T407 PolarHBondContact O-N 2.77Å; T405-Q408 PolarHBondContact O-N 3.42Å; T405-K409 WeakPolarHBondContact O-CG 3.15Å; T405-K409 PolarHBondContact O-N 3.07Å
406D96.2Very high92.4Very high24 Ų2454 Ų5413%0.12827%0.268CS..Hα-helixtrans-66.4-35.7178.2-76.7-14.9000111.6I403 K409 V410 M452 Y455 L463I403-D406 PolarHBondContact O-N 2.63Å; D406-K409 WeakPolarHBondContact O-CB 3.33Å; D406-K409 PolarHBondContact O-N 3.1Å; D406-K409 WeakPolarHBondContact OD1-CE 3.45Å; D406-K409 IonicContact OD1-NZ 3.79Å; D406-K409 PolarHBondContact OD1-NZ 2.78Å; D406-V410 WeakPolarHBondContact O-CG2 3.49Å; D406-V410 PolarHBondContact O-N 2.78Å; D406-V410 VanDerWaalsContact O-N 3.16Å; D406-M452 HydrophobicContact CB-CE 4.1Å; D406-Y455 PolarHBondContact OD2-OH 3.34Å; D406-L463 HydrophobicContact CB-CD2 4.12Å
407T96.9Very high93Very high0 Ų053.2 Ų53.20%026%0.263CS..Hα-helixtrans-62.4-48.8171.9-57.20000111.1I403 T404 T405 K409 V410 L411 L467 V492 V499I403-T407 WeakPolarHBondContact O-CB 3.44Å; I403-T407 PolarHBondContact O-N 2.95Å; I403-T407 PolarHBondContact O-OG1 3.09Å; T404-T407 WeakPolarHBondContact O-CB 3.31Å; T404-T407 PolarHBondContact O-N 2.91Å; T405-T407 VanDerWaalsContact C-N 3.29Å; T405-T407 PolarHBondContact O-N 2.77Å; T407-K409 VanDerWaalsContact C-N 3.31Å; T407-K409 PolarHBondContact O-N 2.78Å; T407-V410 PolarHBondContact O-N 3.34Å; T407-V410 VanDerWaalsContact O-N 3.12Å; T407-L411 HydrophobicContact CG2-CD1 3.81Å; T407-L411 HydrophobicContact CG2-CG 4.05Å; T407-L411 VanDerWaalsContact O-CG 3.32Å; T407-L411 WeakPolarHBondContact O-CG 3.49Å; T407-L411 PolarHBondContact O-N 2.77Å; T407-L467 HydrophobicContact CG2-CD1 3.89Å; T407-L467 HydrophobicContact CG2-CD2 3.44Å; T407-L467 VanDerWaalsContact CG2-CD2 3.44Å; T407-L467 HydrophobicContact CG2-CG 4.31Å; T407-V492 HydrophobicContact CG2-CG1 3.97Å; T407-V499 HydrophobicContact CG2-CB 4.42Å; T407-V499 HydrophobicContact CG2-CG1 4.46Å; T407-V499 HydrophobicContact CG2-CG2 3.95Å
408Q97.7Very high93.7Very high59 Ų5947.6 Ų47.628%0.27624%0.243SC..Hα-helixtrans-57.8-42.7176.1-74172.8-1600111.6T404 T405 V410 L411 S412 V492T404-Q408 HydrophobicContact CG2-CG 4.5Å; T404-Q408 WeakPolarHBondContact O-CB 3.22Å; T404-Q408 VanDerWaalsContact O-CG 3.3Å; T404-Q408 WeakPolarHBondContact O-CG 3.33Å; T404-Q408 PolarHBondContact O-N 2.89Å; T405-Q408 PolarHBondContact O-N 3.42Å; Q408-V410 VanDerWaalsContact C-N 3.32Å; Q408-V410 PolarHBondContact O-N 2.92Å; Q408-L411 PolarHBondContact O-N 3.1Å; Q408-S412 WeakPolarHBondContact O-CB 3.31Å; Q408-S412 PolarHBondContact O-N 3.06Å; Q408-V492 HydrophobicContact CG-CG1 3.93Å; Q408-V492 PolarHBondContact NE2-O 3.2Å
409K97.9Very high94.4Very high44 Ų4445.2 Ų45.219%0.19124%0.236CC..Hα-helixtrans-54.4-48.6174.8-68.9172.1-171165.80111T405 D406 T407 C413 L430 L451 M452 E454T405-K409 WeakPolarHBondContact O-CG 3.15Å; T405-K409 PolarHBondContact O-N 3.07Å; D406-K409 WeakPolarHBondContact O-CB 3.33Å; D406-K409 PolarHBondContact O-N 3.1Å; D406-K409 WeakPolarHBondContact OD1-CE 3.45Å; D406-K409 IonicContact OD1-NZ 3.79Å; D406-K409 PolarHBondContact OD1-NZ 2.78Å; T407-K409 VanDerWaalsContact C-N 3.31Å; T407-K409 PolarHBondContact O-N 2.78Å; K409-C413 WeakPolarHBondContact O-CB 3.43Å; K409-C413 PolarHBondContact O-N 3.04Å; K409-L430 HydrophobicContact CB-CD2 4.32Å; K409-L451 HydrophobicContact CD-CB 4.18Å; K409-L451 HydrophobicContact CG-CB 4.37Å; K409-L451 HydrophobicContact CG-CD1 4.21Å; K409-L451 PolarHBondContact NZ-O 2.87Å; K409-M452 HydrophobicContact CB-CG 4.39Å; K409-M452 HydrophobicContact CB-SD 4.27Å; K409-M452 HydrophobicContact CD-CG 3.69Å; K409-M452 HydrophobicContact CD-SD 4.35Å; K409-E454 IonicContact NZ-OE1 2.79Å
410V98Very high95.1Very high0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-62.2-55.8179.1174.60000111.5D406 T407 Q408 S412 C413 V414 L430 M452 L463 I464 L467 L473D406-V410 WeakPolarHBondContact O-CG2 3.49Å; D406-V410 PolarHBondContact O-N 2.78Å; D406-V410 VanDerWaalsContact O-N 3.16Å; T407-V410 PolarHBondContact O-N 3.34Å; T407-V410 VanDerWaalsContact O-N 3.12Å; Q408-V410 VanDerWaalsContact C-N 3.32Å; Q408-V410 PolarHBondContact O-N 2.92Å; V410-S412 VanDerWaalsContact C-N 3.26Å; V410-S412 PolarHBondContact O-N 2.87Å; V410-C413 WeakPolarHBondContact O-CB 3.42Å; V410-C413 PolarHBondContact O-N 2.81Å; V410-C413 VanDerWaalsContact O-N 3.11Å; V410-V414 WeakPolarHBondContact O-CG2 3.49Å; V410-V414 PolarHBondContact O-N 3.15Å; V410-L430 HydrophobicContact CB-CD1 4.3Å; V410-L430 HydrophobicContact CG2-CD1 3.79Å; V410-M452 HydrophobicContact CG2-SD 4.11Å; V410-L463 HydrophobicContact CG2-CD2 3.79Å; V410-L463 HydrophobicContact CG2-CG 4.33Å; V410-I464 HydrophobicContact CG1-CG1 3.74Å; V410-I464 HydrophobicContact CG2-CG1 4.5Å; V410-L467 HydrophobicContact CB-CD1 3.9Å; V410-L467 HydrophobicContact CG1-CD1 3.84Å; V410-L467 HydrophobicContact CG2-CD1 4.22Å; V410-L473 HydrophobicContact CG1-CD1 4.15Å
411L98Very high95.6Very high0 Ų042.2 Ų42.20%022%0.216CC..Hα-helixtrans-60.3-39.7-176.9-61.7-178000111.4T407 Q408 C413 V414 K415 L473 V485 G489 V492 L493T407-L411 HydrophobicContact CG2-CD1 3.81Å; T407-L411 HydrophobicContact CG2-CG 4.05Å; T407-L411 VanDerWaalsContact O-CG 3.32Å; T407-L411 WeakPolarHBondContact O-CG 3.49Å; T407-L411 PolarHBondContact O-N 2.77Å; Q408-L411 PolarHBondContact O-N 3.1Å; L411-C413 VanDerWaalsContact C-N 3.33Å; L411-C413 PolarHBondContact O-N 2.95Å; L411-V414 PolarHBondContact O-N 3Å; L411-K415 PolarHBondContact O-N 2.97Å; L411-L473 HydrophobicContact CD2-CD1 4.43Å; L411-L473 HydrophobicContact CD2-CD2 3.48Å; L411-L473 VanDerWaalsContact CD2-CD2 3.48Å; L411-L473 HydrophobicContact CD2-CG 3.7Å; L411-V485 HydrophobicContact CB-CG1 4.49Å; L411-V485 HydrophobicContact CB-CG2 4.4Å; L411-V485 HydrophobicContact CD2-CG1 4.22Å; L411-V485 HydrophobicContact CD2-CG2 4.45Å; L411-G489 VanDerWaalsContact CD1-O 3.26Å; L411-G489 WeakPolarHBondContact CD1-O 3.17Å; L411-V492 HydrophobicContact CD1-CB 4.09Å; L411-V492 HydrophobicContact CD1-CG1 4.24Å; L411-L493 HydrophobicContact CB-CD1 3.93Å; L411-L493 HydrophobicContact CB-CD2 3.7Å; L411-L493 HydrophobicContact CB-CG 3.71Å; L411-L493 HydrophobicContact CD1-CG 4.16Å
412S97.3Very high95.9Very high30 Ų3040.7 Ų40.721%0.2121%0.211CC..Hα-helixtrans-71.4-31.4-179.5-144.70000111.4Q408 V410 R416Q408-S412 WeakPolarHBondContact O-CB 3.31Å; Q408-S412 PolarHBondContact O-N 3.06Å; V410-S412 VanDerWaalsContact C-N 3.26Å; V410-S412 PolarHBondContact O-N 2.87Å; S412-R416 VanDerWaalsContact CB-NH1 3.29Å; S412-R416 WeakPolarHBondContact O-CB 3.25Å; S412-R416 WeakPolarHBondContact O-CG 3.35Å; S412-R416 PolarHBondContact O-N 3.01Å; S412-R416 PolarHBondContact O-NH1 3.14Å; S412-R416 PolarHBondContact OG-NH1 3.4Å
413C97.9Very high95.9Very high0 Ų040.3 Ų40.30%021%0.206CC..Hα-helixtrans-67.4-47.1171.5-1700000111.2K409 V410 L411 K415 R416 M417 V429 L430 T448K409-C413 WeakPolarHBondContact O-CB 3.43Å; K409-C413 PolarHBondContact O-N 3.04Å; V410-C413 WeakPolarHBondContact O-CB 3.42Å; V410-C413 PolarHBondContact O-N 2.81Å; V410-C413 VanDerWaalsContact O-N 3.11Å; L411-C413 VanDerWaalsContact C-N 3.33Å; L411-C413 PolarHBondContact O-N 2.95Å; C413-K415 VanDerWaalsContact C-N 3.3Å; C413-K415 PolarHBondContact O-N 2.93Å; C413-R416 PolarHBondContact O-N 3.12Å; C413-M417 WeakPolarHBondContact O-CB 3.35Å; C413-M417 VanDerWaalsContact O-CG 3.23Å; C413-M417 WeakPolarHBondContact O-CG 3.35Å; C413-M417 PolarHBondContact O-N 2.83Å; C413-M417 VanDerWaalsContact SG-SD 3.61Å; C413-V429 VanDerWaalsContact SG-CG1 3.58Å; C413-L430 HydrophobicContact CB-CD1 4.36Å; C413-L430 HydrophobicContact CB-CD2 3.66Å; C413-L430 HydrophobicContact CB-CG 3.98Å; C413-T448 HydrophobicContact CB-CG2 4.06Å
414V97.5Very high95.9Very high2 Ų242.9 Ų42.91%0.01223%0.228CC..Hα-helixtrans-55.4-46.3176.11710000110.8V410 L411 M417 G418 E419 V426 L473 L483 V485V410-V414 WeakPolarHBondContact O-CG2 3.49Å; V410-V414 PolarHBondContact O-N 3.15Å; L411-V414 PolarHBondContact O-N 3Å; V414-M417 PolarHBondContact O-N 3.46Å; V414-G418 PolarHBondContact O-N 3.35Å; V414-E419 HydrophobicContact CG1-CG 4.06Å; V414-E419 PolarHBondContact O-N 2.86Å; V414-E419 VanDerWaalsContact O-N 3.07Å; V414-V426 HydrophobicContact CG2-CG1 3.87Å; V414-V426 HydrophobicContact CG2-CG2 4.04Å; V414-L473 HydrophobicContact CB-CD2 4.41Å; V414-L473 HydrophobicContact CG1-CD2 4.22Å; V414-L473 HydrophobicContact CG2-CD2 4.07Å; V414-L483 HydrophobicContact CG1-CB 4.04Å; V414-L483 WeakPolarHBondContact CG1-O 3.3Å; V414-L483 HydrophobicContact CG2-CB 4.28Å; V414-L483 HydrophobicContact CG2-CD1 4.45Å; V414-V485 HydrophobicContact CB-CG2 4.24Å; V414-V485 HydrophobicContact CG1-CG2 3.94Å
415K96.8Very high95.9Very high101 Ų10143.2 Ų43.244%0.43923%0.23SC..Hα-helixtrans-66.4-42.9178.8-15664.5170.3-179.50113.1L411 C413 M417 G418 E419L411-K415 PolarHBondContact O-N 2.97Å; C413-K415 VanDerWaalsContact C-N 3.3Å; C413-K415 PolarHBondContact O-N 2.93Å; K415-M417 VanDerWaalsContact C-N 3.32Å; K415-M417 PolarHBondContact O-N 2.74Å; K415-G418 WeakPolarHBondContact O-CA 3.16Å; K415-G418 PolarHBondContact O-N 2.89Å; K415-E419 HydrophobicContact CD-CG 4.04Å; K415-E419 VanDerWaalsContact CD-OE1 3.27Å; K415-E419 WeakPolarHBondContact CD-OE1 3.16Å; K415-E419 IonicContact NZ-OE1 2.72Å; K415-E419 PolarHBondContact NZ-OE1 2.71Å; K415-E419 IonicContact NZ-OE2 3.76Å; K415-E419 PolarHBondContact NZ-OE2 3.07Å
416R96.3Very high96Very high106 Ų10639 Ų3940%0.420%0.204SC..Hα-helixtrans-69.1-27.4177.8-76.6-170.9-173.981.50.4113.6S412 C413 G418 L446 T448S412-R416 VanDerWaalsContact CB-NH1 3.29Å; S412-R416 WeakPolarHBondContact O-CB 3.25Å; S412-R416 WeakPolarHBondContact O-CG 3.35Å; S412-R416 PolarHBondContact O-N 3.01Å; S412-R416 PolarHBondContact O-NH1 3.14Å; S412-R416 PolarHBondContact OG-NH1 3.4Å; C413-R416 PolarHBondContact O-N 3.12Å; R416-G418 PolarHBondContact O-N 2.91Å; R416-L446 HydrophobicContact CB-CD1 4.28Å; R416-L446 HydrophobicContact CB-CD2 4.1Å; R416-T448 VanDerWaalsContact NH1-CG2 3.3Å
417M96Very high96Very high8 Ų838 Ų384%0.03920%0.198CC..THydrogen-bonded Turntrans-77.12.7170.3-66.6173.673.400112.5C413 V414 K415 E419 F421 L425 V426 V429 F443 L446C413-M417 WeakPolarHBondContact O-CB 3.35Å; C413-M417 VanDerWaalsContact O-CG 3.23Å; C413-M417 WeakPolarHBondContact O-CG 3.35Å; C413-M417 PolarHBondContact O-N 2.83Å; C413-M417 VanDerWaalsContact SG-SD 3.61Å; V414-M417 PolarHBondContact O-N 3.46Å; K415-M417 VanDerWaalsContact C-N 3.32Å; K415-M417 PolarHBondContact O-N 2.74Å; M417-E419 VanDerWaalsContact C-N 3.31Å; M417-E419 PolarHBondContact O-N 3.27Å; M417-F421 HydrophobicContact CB-CD2 3.99Å; M417-F421 HydrophobicContact CE-CB 3.74Å; M417-F421 HydrophobicContact CE-CD2 4.03Å; M417-F421 HydrophobicContact CE-CG 3.89Å; M417-F421 WeakPolarHBondContact O-CD2 3.38Å; M417-F421 VanDerWaalsContact O-CE2 3.3Å; M417-F421 WeakPolarHBondContact O-CE2 3.22Å; M417-L425 HydrophobicContact CE-CB 4.33Å; M417-L425 HydrophobicContact CE-CD2 3.99Å; M417-L425 HydrophobicContact CE-CG 3.87Å; M417-V426 HydrophobicContact CE-CG2 4.27Å; M417-V426 HydrophobicContact SD-CB 4.45Å; M417-V426 HydrophobicContact SD-CG2 3.93Å; M417-V429 HydrophobicContact CE-CG2 3.95Å; M417-V429 HydrophobicContact SD-CB 4.28Å; M417-V429 HydrophobicContact SD-CG2 4.03Å; M417-F443 HydrophobicContact CB-CE1 4.27Å; M417-F443 HydrophobicContact CB-CZ 4.25Å; M417-F443 HydrophobicContact CE-CD2 3.87Å; M417-F443 HydrophobicContact CE-CE2 3.5Å; M417-F443 VanDerWaalsContact CE-CE2 3.5Å; M417-F443 HydrophobicContact CE-CZ 3.93Å; M417-F443 HydrophobicContact CG-CD1 4.25Å; M417-F443 HydrophobicContact CG-CE1 4.01Å; M417-F443 HydrophobicContact CG-CE2 4.48Å; M417-F443 HydrophobicContact CG-CZ 4.13Å; M417-L446 HydrophobicContact CG-CD1 3.75Å
418G94.3Very high96Very high40 Ų4040.6 Ų40.641%0.41221%0.21SC..THydrogen-bonded Turntrans71.920.7177.200000114.3V414 K415 R416 K420V414-G418 PolarHBondContact O-N 3.35Å; K415-G418 WeakPolarHBondContact O-CA 3.16Å; K415-G418 PolarHBondContact O-N 2.89Å; R416-G418 PolarHBondContact O-N 2.91Å; G418-K420 WeakPolarHBondContact O-CG 3.46Å; G418-K420 PolarHBondContact O-N 2.9Å; G418-K420 VanDerWaalsContact O-N 3.12Å
419E95Very high96Very high45 Ų4537.8 Ų37.821%0.2120%0.196CC..THydrogen-bonded Turntrans58.126.1175.9-56.8177.2136.700114.2V414 K415 M417 L483 T484 V485V414-E419 HydrophobicContact CG1-CG 4.06Å; V414-E419 PolarHBondContact O-N 2.86Å; V414-E419 VanDerWaalsContact O-N 3.07Å; K415-E419 HydrophobicContact CD-CG 4.04Å; K415-E419 VanDerWaalsContact CD-OE1 3.27Å; K415-E419 WeakPolarHBondContact CD-OE1 3.16Å; K415-E419 IonicContact NZ-OE1 2.72Å; K415-E419 PolarHBondContact NZ-OE1 2.71Å; K415-E419 IonicContact NZ-OE2 3.76Å; K415-E419 PolarHBondContact NZ-OE2 3.07Å; M417-E419 VanDerWaalsContact C-N 3.31Å; M417-E419 PolarHBondContact O-N 3.27Å; E419-L483 WeakPolarHBondContact CA-O 3.15Å; E419-L483 WeakPolarHBondContact CB-O 3.23Å; E419-T484 HydrophobicContact CB-CG2 3.92Å; E419-V485 PolarHBondContact OE1-N 2.86Å
420K92.8Very high96Very high150 Ų15035.7 Ų35.765%0.65219%0.187SC*.  trans-108.814-176-74.7171.9-170.4-174.80114.1G418 L482G418-K420 WeakPolarHBondContact O-CG 3.46Å; G418-K420 PolarHBondContact O-N 2.9Å; G418-K420 VanDerWaalsContact O-N 3.12Å; K420-L482 WeakPolarHBondContact O-CD2 3.25Å
421F94.4Very high95.9Very high30 Ų3036.7 Ų36.713%0.13219%0.193CC..  trans-139146.4-172-59-84.6000112M417 L425 W441 F443 L483M417-F421 HydrophobicContact CB-CD2 3.99Å; M417-F421 HydrophobicContact CE-CB 3.74Å; M417-F421 HydrophobicContact CE-CD2 4.03Å; M417-F421 HydrophobicContact CE-CG 3.89Å; M417-F421 WeakPolarHBondContact O-CD2 3.38Å; M417-F421 VanDerWaalsContact O-CE2 3.3Å; M417-F421 WeakPolarHBondContact O-CE2 3.22Å; F421-L425 HydrophobicContact CB-CB 4.49Å; F421-L425 HydrophobicContact CB-CD2 4.16Å; F421-L425 HydrophobicContact CD1-CD2 3.31Å; F421-L425 HydrophobicContact CE1-CD2 3.9Å; F421-L425 HydrophobicContact CG-CD2 3.88Å; F421-W441 HydrophobicContact CE1-CD2 4.05Å; F421-W441 AromaticContact CE1-CE2 3.72Å; F421-W441 HydrophobicContact CE1-CG 4.29Å; F421-W441 HydrophobicContact CE1-CZ2 4.09Å; F421-W441 AromaticContact CE1-NE1 3.76Å; F421-W441 AromaticContact CZ-CD2 3.7Å; F421-W441 HydrophobicContact CZ-CD2 3.7Å; F421-W441 AromaticContact CZ-CE2 3.76Å; F421-W441 AromaticContact CZ-CE3 3.94Å; F421-W441 HydrophobicContact CZ-CE3 3.94Å; F421-W441 HydrophobicContact CZ-CG 4.15Å; F421-W441 HydrophobicContact CZ-CH2 4.29Å; F421-W441 HydrophobicContact CZ-CZ2 4.07Å; F421-W441 HydrophobicContact CZ-CZ3 4.23Å; F421-F443 HydrophobicContact CD1-CE2 4.46Å; F421-F443 HydrophobicContact CD2-CE2 4.32Å; F421-F443 AromaticContact CD2-CZ 3.87Å; F421-F443 HydrophobicContact CD2-CZ 3.87Å; F421-F443 HydrophobicContact CE1-CE2 4.22Å; F421-F443 HydrophobicContact CE1-CZ 4.23Å; F421-F443 HydrophobicContact CE2-CE1 4.42Å; F421-F443 HydrophobicContact CE2-CE2 4.13Å; F421-F443 AromaticContact CE2-CZ 3.43Å; F421-F443 HydrophobicContact CE2-CZ 3.43Å; F421-F443 VanDerWaalsContact CE2-CZ 3.43Å; F421-F443 HydrophobicContact CG-CE2 4.48Å; F421-F443 HydrophobicContact CG-CZ 4.46Å; F421-F443 HydrophobicContact CZ-CE2 4.05Å; F421-F443 AromaticContact CZ-CZ 3.61Å; F421-F443 HydrophobicContact CZ-CZ 3.61Å; F421-L483 PolarHBondContact O-N 2.89Å; F421-L483 VanDerWaalsContact O-N 3.09Å
422G92.7Very high95.8Very high21 Ų2137.7 Ų37.722%0.21620%0.204CC..  trans-86.7171179.800000114A424 L425 V426 P481G422-A424 VanDerWaalsContact C-N 3.27Å; G422-A424 PolarHBondContact O-N 3.31Å; G422-A424 VanDerWaalsContact O-N 3.07Å; G422-L425 PolarHBondContact O-N 3.16Å; G422-L425 VanDerWaalsContact O-N 3.08Å; G422-V426 PolarHBondContact O-N 3.23Å; G422-P481 WeakPolarHBondContact CA-O 3.17Å
423K93.5Very high95.6Very high74 Ų7437.4 Ų37.432%0.32220%0.202SC..Hα-helixtrans-48.2-41.4-172.173.1176.9-175.5175.10115.5L425 V426 A427 I464 D465 L483K423-L425 VanDerWaalsContact C-N 3.32Å; K423-L425 PolarHBondContact O-N 2.83Å; K423-V426 PolarHBondContact O-N 2.67Å; K423-A427 WeakPolarHBondContact O-CB 3.34Å; K423-A427 PolarHBondContact O-N 3.24Å; K423-I464 HydrophobicContact CB-CD1 4.45Å; K423-I464 HydrophobicContact CB-CG2 3.82Å; K423-D465 IonicContact NZ-OD1 3.54Å; K423-D465 PolarHBondContact NZ-OD1 3.32Å; K423-D465 IonicContact NZ-OD2 3.93Å; K423-D465 PolarHBondContact NZ-OD2 3.38Å; K423-L483 HydrophobicContact CB-CD1 4.04Å
424A93.7Very high95.2Very high63 Ų6343.5 Ų43.552%0.52123%0.234SC..Hα-helixtrans-65.3-36.2-174.600000112.2G422 K428G422-A424 VanDerWaalsContact C-N 3.27Å; G422-A424 PolarHBondContact O-N 3.31Å; G422-A424 VanDerWaalsContact O-N 3.07Å; A424-K428 VanDerWaalsContact O-CG 3.27Å; A424-K428 WeakPolarHBondContact O-CG 3.36Å; A424-K428 PolarHBondContact O-N 3.24Å
425L95.5Very high94.9Very high22 Ų2245.4 Ų45.412%0.11525%0.245CC..Hα-helixtrans-79.1-37.4177.8-168.162.3000111.3M417 F421 G422 K423 A427 K428 V429 K437 I438 F443M417-L425 HydrophobicContact CE-CB 4.33Å; M417-L425 HydrophobicContact CE-CD2 3.99Å; M417-L425 HydrophobicContact CE-CG 3.87Å; F421-L425 HydrophobicContact CB-CB 4.49Å; F421-L425 HydrophobicContact CB-CD2 4.16Å; F421-L425 HydrophobicContact CD1-CD2 3.31Å; F421-L425 HydrophobicContact CE1-CD2 3.9Å; F421-L425 HydrophobicContact CG-CD2 3.88Å; G422-L425 PolarHBondContact O-N 3.16Å; G422-L425 VanDerWaalsContact O-N 3.08Å; K423-L425 VanDerWaalsContact C-N 3.32Å; K423-L425 PolarHBondContact O-N 2.83Å; L425-A427 PolarHBondContact O-N 3.41Å; L425-K428 PolarHBondContact O-N 3.1Å; L425-V429 WeakPolarHBondContact O-CG2 3.35Å; L425-V429 PolarHBondContact O-N 3.42Å; L425-K437 HydrophobicContact CD1-CB 4.09Å; L425-I438 HydrophobicContact CD1-CG1 4.18Å; L425-F443 HydrophobicContact CD2-CD2 4.38Å; L425-F443 HydrophobicContact CD2-CE2 3.82Å; L425-F443 HydrophobicContact CG-CE2 4.49Å
426V96.9Very high94.6Very high1 Ų148.8 Ų48.81%0.00626%0.262CS..Hα-helixtrans-58.3-48.3174.3177.20000110.7V414 M417 G422 K423 K428 V429 L430 I464 L483V414-V426 HydrophobicContact CG2-CG1 3.87Å; V414-V426 HydrophobicContact CG2-CG2 4.04Å; M417-V426 HydrophobicContact CE-CG2 4.27Å; M417-V426 HydrophobicContact SD-CB 4.45Å; M417-V426 HydrophobicContact SD-CG2 3.93Å; G422-V426 PolarHBondContact O-N 3.23Å; K423-V426 PolarHBondContact O-N 2.67Å; V426-K428 VanDerWaalsContact C-N 3.33Å; V426-K428 PolarHBondContact O-N 3.3Å; V426-V429 PolarHBondContact O-N 2.95Å; V426-L430 HydrophobicContact CG1-CD1 3.87Å; V426-L430 WeakPolarHBondContact O-CG 3.46Å; V426-L430 PolarHBondContact O-N 2.93Å; V426-I464 HydrophobicContact CB-CD1 4.13Å; V426-I464 HydrophobicContact CG1-CD1 3.88Å; V426-L483 HydrophobicContact CG2-CD1 4.29Å
427A97Very high94.3Very high1 Ų149.5 Ų49.51%0.00827%0.268CS..Hα-helixtrans-58.2-44.6176.100000111.8K423 L425 V429 L430 T431 V460 I464K423-A427 WeakPolarHBondContact O-CB 3.34Å; K423-A427 PolarHBondContact O-N 3.24Å; L425-A427 PolarHBondContact O-N 3.41Å; A427-V429 PolarHBondContact O-N 3.03Å; A427-L430 PolarHBondContact O-N 3.39Å; A427-T431 WeakPolarHBondContact O-CG2 3.1Å; A427-T431 PolarHBondContact O-N 3.06Å; A427-T431 PolarHBondContact O-OG1 2.92Å; A427-T431 VanDerWaalsContact O-OG1 3.06Å; A427-V460 HydrophobicContact CB-CB 4.23Å; A427-V460 HydrophobicContact CB-CG1 3.98Å; A427-I464 HydrophobicContact CB-CD1 4.26Å
428K97Very high94Very high55 Ų5549.1 Ų49.124%0.23927%0.266CS..Hα-helixtrans-61-41.1177.5-76.9176.5178.8-172.30113A424 L425 V426 T431 G432 S433 D435 I438A424-K428 VanDerWaalsContact O-CG 3.27Å; A424-K428 WeakPolarHBondContact O-CG 3.36Å; A424-K428 PolarHBondContact O-N 3.24Å; L425-K428 PolarHBondContact O-N 3.1Å; V426-K428 VanDerWaalsContact C-N 3.33Å; V426-K428 PolarHBondContact O-N 3.3Å; K428-T431 PolarHBondContact O-OG1 2.83Å; K428-G432 PolarHBondContact O-N 2.74Å; K428-S433 VanDerWaalsContact O-CB 3.28Å; K428-S433 WeakPolarHBondContact O-CB 3.21Å; K428-S433 PolarHBondContact O-N 3.19Å; K428-D435 HydrophobicContact CD-CB 4.27Å; K428-D435 IonicContact NZ-OD2 2.91Å; K428-D435 PolarHBondContact NZ-OD2 2.82Å; K428-I438 HydrophobicContact CB-CD1 3.84Å
429V97.4Very high93.8Very high0 Ų053.5 Ų53.50%027%0.274CS..Hα-helixtrans-64.9-49.7177.5172.20000110.1C413 M417 L425 V426 A427 T431 G432 I438 F443 L446 Y449 G450C413-V429 VanDerWaalsContact SG-CG1 3.58Å; M417-V429 HydrophobicContact CE-CG2 3.95Å; M417-V429 HydrophobicContact SD-CB 4.28Å; M417-V429 HydrophobicContact SD-CG2 4.03Å; L425-V429 WeakPolarHBondContact O-CG2 3.35Å; L425-V429 PolarHBondContact O-N 3.42Å; V426-V429 PolarHBondContact O-N 2.95Å; A427-V429 PolarHBondContact O-N 3.03Å; V429-T431 VanDerWaalsContact C-N 3.31Å; V429-T431 PolarHBondContact O-N 3.16Å; V429-G432 PolarHBondContact O-N 3.04Å; V429-I438 HydrophobicContact CG2-CD1 4.13Å; V429-I438 HydrophobicContact CG2-CG1 4.02Å; V429-F443 HydrophobicContact CG1-CB 4.4Å; V429-F443 HydrophobicContact CG2-CB 3.76Å; V429-F443 HydrophobicContact CG2-CD2 3.84Å; V429-F443 HydrophobicContact CG2-CG 4.07Å; V429-L446 HydrophobicContact CG1-CD1 4.48Å; V429-Y449 HydrophobicContact CG1-CD2 4.29Å; V429-Y449 WeakPolarHBondContact O-CA 3.48Å; V429-Y449 WeakPolarHBondContact O-CD2 3.39Å; V429-G450 PolarHBondContact O-N 2.74Å
430L97.6Very high93.7Very high0 Ų058.1 Ų58.10%030%0.295CS..Hα-helixtrans-60.3-38.6-179.5-74.1166.4000113K409 V410 C413 V426 A427 G432 G450 L451 M452 V460K409-L430 HydrophobicContact CB-CD2 4.32Å; V410-L430 HydrophobicContact CB-CD1 4.3Å; V410-L430 HydrophobicContact CG2-CD1 3.79Å; C413-L430 HydrophobicContact CB-CD1 4.36Å; C413-L430 HydrophobicContact CB-CD2 3.66Å; C413-L430 HydrophobicContact CB-CG 3.98Å; V426-L430 HydrophobicContact CG1-CD1 3.87Å; V426-L430 WeakPolarHBondContact O-CG 3.46Å; V426-L430 PolarHBondContact O-N 2.93Å; A427-L430 PolarHBondContact O-N 3.39Å; L430-G432 VanDerWaalsContact C-N 3.28Å; L430-G432 PolarHBondContact O-N 3.01Å; L430-G450 CarbonylContact O-C 3.44Å; L430-G450 WeakPolarHBondContact O-CA 3.18Å; L430-G450 PolarHBondContact O-N 2.84Å; L430-L451 PolarHBondContact O-N 2.82Å; L430-L451 VanDerWaalsContact O-N 3.15Å; L430-M452 HydrophobicContact CB-CB 4.21Å; L430-M452 HydrophobicContact CB-CG 4.34Å; L430-M452 HydrophobicContact CB-SD 4.29Å; L430-M452 HydrophobicContact CD1-SD 4.1Å; L430-M452 HydrophobicContact CD2-CG 4.34Å; L430-M452 HydrophobicContact CD2-SD 4.22Å; L430-M452 HydrophobicContact CG-SD 4.45Å; L430-M452 CarbonylContact O-C 3.52Å; L430-M452 PolarHBondContact O-N 3.41Å; L430-V460 HydrophobicContact CB-CG1 4.21Å; L430-V460 HydrophobicContact CD1-CG1 3.72Å
431T97.2Very high93.7Very high21 Ų2157.5 Ų57.513%0.12929%0.289CS..THydrogen-bonded Turntrans-82.4-1.8177.662.30000113.8A427 K428 V429 Y455 Q457 V460A427-T431 WeakPolarHBondContact O-CG2 3.1Å; A427-T431 PolarHBondContact O-N 3.06Å; A427-T431 PolarHBondContact O-OG1 2.92Å; A427-T431 VanDerWaalsContact O-OG1 3.06Å; K428-T431 PolarHBondContact O-OG1 2.83Å; V429-T431 VanDerWaalsContact C-N 3.31Å; V429-T431 PolarHBondContact O-N 3.16Å; T431-Y455 WeakPolarHBondContact CG2-O 3.28Å; T431-Q457 HydrophobicContact CG2-CG 4Å; T431-Q457 WeakPolarHBondContact OG1-CG 3.44Å; T431-V460 HydrophobicContact CG2-CB 4.37Å; T431-V460 HydrophobicContact CG2-CG2 3.68Å
432G94.3Very high93.6Very high21 Ų2163.9 Ų63.922%0.21631%0.312CS..THydrogen-bonded Turntrans71.437.8179.300000114.1K428 V429 L430 Y449K428-G432 PolarHBondContact O-N 2.74Å; V429-G432 PolarHBondContact O-N 3.04Å; L430-G432 VanDerWaalsContact C-N 3.28Å; L430-G432 PolarHBondContact O-N 3.01Å; G432-Y449 VanDerWaalsContact C-OH 3.31Å; G432-Y449 PolarHBondContact O-OH 3.32Å; G432-Y449 VanDerWaalsContact O-OH 3.09Å
433S93.5Very high93.8Very high24 Ų2463.5 Ų63.517%0.16831%0.305CS..  trans-67.7140.7-179.9-179.50000112.1K428 D435 I438 Y449K428-S433 VanDerWaalsContact O-CB 3.28Å; K428-S433 WeakPolarHBondContact O-CB 3.21Å; K428-S433 PolarHBondContact O-N 3.19Å; S433-D435 PolarHBondContact O-N 2.87Å; S433-D435 PolarHBondContact OG-N 3.22Å; S433-I438 WeakPolarHBondContact O-CD1 3.39Å; S433-Y449 PolarHBondContact O-OH 3.05Å
434N90.5Very high93.7Very high128 Ų12863.5 Ų63.568%0.68431%0.306SS*.  trans-84.321.2176.6-72.8-38.8000113.9
435D90.5Very high93.7Very high43 Ų4367.1 Ų67.123%0.2331%0.312CS..  trans-57141.4-179.6-167.6-65.1000111.9K428 S433 K437 I438K428-D435 HydrophobicContact CD-CB 4.27Å; K428-D435 IonicContact NZ-OD2 2.91Å; K428-D435 PolarHBondContact NZ-OD2 2.82Å; S433-D435 PolarHBondContact O-N 2.87Å; S433-D435 PolarHBondContact OG-N 3.22Å; D435-K437 PolarHBondContact O-N 2.68Å; D435-K437 WeakPolarHBondContact OD1-CB 3.34Å; D435-K437 PolarHBondContact OD1-N 2.76Å; D435-I438 HydrophobicContact CB-CD1 4.3Å; D435-I438 HydrophobicContact CB-CG1 4.44Å; D435-I438 WeakPolarHBondContact O-CB 3.46Å; D435-I438 PolarHBondContact O-N 2.91Å
436Q90.2Very high93.7Very high171 Ų17167.9 Ų67.980%0.79932%0.316SS*.Hα-helixtrans-58-34.1-179.9-69-176.7-200112.9I438 K439 Q440Q436-I438 VanDerWaalsContact C-N 3.25Å; Q436-I438 PolarHBondContact O-N 3.4Å; Q436-K439 PolarHBondContact O-N 2.85Å; Q436-Q440 WeakPolarHBondContact O-CB 3.4Å; Q436-Q440 PolarHBondContact O-N 2.93Å
437K89.4Confident93.5Very high121 Ų12175.1 Ų75.153%0.52635%0.35SS..Hα-helixtrans-62.9-32.6177.6-71.3-173.3177-176.50112.1L425 D435 Q440 W441L425-K437 HydrophobicContact CD1-CB 4.09Å; D435-K437 PolarHBondContact O-N 2.68Å; D435-K437 WeakPolarHBondContact OD1-CB 3.34Å; D435-K437 PolarHBondContact OD1-N 2.76Å; K437-Q440 PolarHBondContact O-N 3.41Å; K437-W441 PolarHBondContact O-N 3.15Å; K437-W441 VanDerWaalsContact O-N 3.17Å
438I91.1Very high93.5Very high1 Ų175.2 Ų75.21%0.00535%0.35CS..Hα-helixtrans-64.5-48.7178.4-72.9174.3000109.7L425 K428 V429 S433 D435 Q436 Q440 W441 R442 F443 E444 Y449L425-I438 HydrophobicContact CD1-CG1 4.18Å; K428-I438 HydrophobicContact CB-CD1 3.84Å; V429-I438 HydrophobicContact CG2-CD1 4.13Å; V429-I438 HydrophobicContact CG2-CG1 4.02Å; S433-I438 WeakPolarHBondContact O-CD1 3.39Å; D435-I438 HydrophobicContact CB-CD1 4.3Å; D435-I438 HydrophobicContact CB-CG1 4.44Å; D435-I438 WeakPolarHBondContact O-CB 3.46Å; D435-I438 PolarHBondContact O-N 2.91Å; Q436-I438 VanDerWaalsContact C-N 3.25Å; Q436-I438 PolarHBondContact O-N 3.4Å; I438-Q440 PolarHBondContact O-N 3.41Å; I438-W441 CarbonylContact O-C 3.59Å; I438-W441 PolarHBondContact O-N 3.45Å; I438-R442 PolarHBondContact O-N 3.11Å; I438-F443 HydrophobicContact CG2-CB 4.01Å; I438-F443 PolarHBondContact O-N 3.34Å; I438-E444 HydrophobicContact CG2-CB 4.38Å; I438-E444 VanDerWaalsContact O-OE2 3.11Å; I438-Y449 HydrophobicContact CD1-CE2 4.29Å; I438-Y449 HydrophobicContact CG2-CD2 4.17Å; I438-Y449 HydrophobicContact CG2-CE2 3.7Å
439K90.5Very high93.4Very high132 Ų13275.4 Ų75.457%0.57435%0.35SS*.Hα-helixtrans-62.6-40.6176.3-63.9-176.6-179.4-179.10112.8Q436 W441 R442 E444Q436-K439 PolarHBondContact O-N 2.85Å; K439-W441 VanDerWaalsContact C-N 3.28Å; K439-W441 PolarHBondContact O-N 2.71Å; K439-R442 PolarHBondContact O-N 2.92Å; K439-R442 VanDerWaalsContact O-N 3.13Å; K439-E444 WeakPolarHBondContact CA-OE2 3.45Å
440Q92.7Very high93.3Very high141 Ų14176.2 Ų76.266%0.65936%0.358SS*.Hα-helixtrans-58.3-42178.6-176-177.7200111.9Q436 K437 I438Q436-Q440 WeakPolarHBondContact O-CB 3.4Å; Q436-Q440 PolarHBondContact O-N 2.93Å; K437-Q440 PolarHBondContact O-N 3.41Å; I438-Q440 PolarHBondContact O-N 3.41Å
441W92.3Very high93.3Very high138 Ų13879.8 Ų79.852%0.52338%0.376SS..THydrogen-bonded Turntrans-91.61.8178.5-68.6104.6000113.9F421 K437 I438 K439 F443F421-W441 HydrophobicContact CE1-CD2 4.05Å; F421-W441 AromaticContact CE1-CE2 3.72Å; F421-W441 HydrophobicContact CE1-CG 4.29Å; F421-W441 HydrophobicContact CE1-CZ2 4.09Å; F421-W441 AromaticContact CE1-NE1 3.76Å; F421-W441 AromaticContact CZ-CD2 3.7Å; F421-W441 HydrophobicContact CZ-CD2 3.7Å; F421-W441 AromaticContact CZ-CE2 3.76Å; F421-W441 AromaticContact CZ-CE3 3.94Å; F421-W441 HydrophobicContact CZ-CE3 3.94Å; F421-W441 HydrophobicContact CZ-CG 4.15Å; F421-W441 HydrophobicContact CZ-CH2 4.29Å; F421-W441 HydrophobicContact CZ-CZ2 4.07Å; F421-W441 HydrophobicContact CZ-CZ3 4.23Å; K437-W441 PolarHBondContact O-N 3.15Å; K437-W441 VanDerWaalsContact O-N 3.17Å; I438-W441 CarbonylContact O-C 3.59Å; I438-W441 PolarHBondContact O-N 3.45Å; K439-W441 VanDerWaalsContact C-N 3.28Å; K439-W441 PolarHBondContact O-N 2.71Å; W441-F443 HydrophobicContact CB-CD1 4.1Å; W441-F443 HydrophobicContact CB-CD2 3.64Å; W441-F443 HydrophobicContact CB-CE1 3.88Å; W441-F443 HydrophobicContact CB-CE2 3.37Å; W441-F443 HydrophobicContact CB-CG 3.99Å; W441-F443 HydrophobicContact CB-CZ 3.5Å; W441-F443 VanDerWaalsContact CB-CZ 3.5Å; W441-F443 HydrophobicContact CG-CD2 4.45Å; W441-F443 AromaticContact CG-CE2 3.81Å; W441-F443 HydrophobicContact CG-CE2 3.81Å; W441-F443 AromaticContact CG-CZ 3.97Å; W441-F443 HydrophobicContact CG-CZ 3.97Å; W441-F443 PolarHBondContact O-N 3.24Å
442R92.9Very high93.2Very high164 Ų16478.9 Ų78.962%0.61937%0.371SS*.THydrogen-bonded Turntrans57.631.7-176.6-55.1179.8-178.8177.7-0.1113.6I438 K439 E444 Q445I438-R442 PolarHBondContact O-N 3.11Å; K439-R442 PolarHBondContact O-N 2.92Å; K439-R442 VanDerWaalsContact O-N 3.13Å; R442-E444 VanDerWaalsContact C-OE2 3.24Å; R442-E444 VanDerWaalsContact CA-OE2 3.31Å; R442-E444 WeakPolarHBondContact CA-OE2 3.38Å; R442-E444 PolarHBondContact O-N 2.99Å; R442-Q445 HydrophobicContact CB-CG 4.37Å; R442-Q445 WeakPolarHBondContact O-CB 3.14Å; R442-Q445 PolarHBondContact O-N 3.46Å; R442-Q445 VanDerWaalsContact O-N 3.1Å
443F95.6Very high93.2Very high13 Ų1385.7 Ų85.76%0.05740%0.395CS..G310 helixtrans-70.7-16.3-178.3-68-33.5000113.7M417 F421 L425 V429 I438 W441 Q445 L446M417-F443 HydrophobicContact CB-CE1 4.27Å; M417-F443 HydrophobicContact CB-CZ 4.25Å; M417-F443 HydrophobicContact CE-CD2 3.87Å; M417-F443 HydrophobicContact CE-CE2 3.5Å; M417-F443 VanDerWaalsContact CE-CE2 3.5Å; M417-F443 HydrophobicContact CE-CZ 3.93Å; M417-F443 HydrophobicContact CG-CD1 4.25Å; M417-F443 HydrophobicContact CG-CE1 4.01Å; M417-F443 HydrophobicContact CG-CE2 4.48Å; M417-F443 HydrophobicContact CG-CZ 4.13Å; F421-F443 HydrophobicContact CD1-CE2 4.46Å; F421-F443 HydrophobicContact CD2-CE2 4.32Å; F421-F443 AromaticContact CD2-CZ 3.87Å; F421-F443 HydrophobicContact CD2-CZ 3.87Å; F421-F443 HydrophobicContact CE1-CE2 4.22Å; F421-F443 HydrophobicContact CE1-CZ 4.23Å; F421-F443 HydrophobicContact CE2-CE1 4.42Å; F421-F443 HydrophobicContact CE2-CE2 4.13Å; F421-F443 AromaticContact CE2-CZ 3.43Å; F421-F443 HydrophobicContact CE2-CZ 3.43Å; F421-F443 VanDerWaalsContact CE2-CZ 3.43Å; F421-F443 HydrophobicContact CG-CE2 4.48Å; F421-F443 HydrophobicContact CG-CZ 4.46Å; F421-F443 HydrophobicContact CZ-CE2 4.05Å; F421-F443 AromaticContact CZ-CZ 3.61Å; F421-F443 HydrophobicContact CZ-CZ 3.61Å; L425-F443 HydrophobicContact CD2-CD2 4.38Å; L425-F443 HydrophobicContact CD2-CE2 3.82Å; L425-F443 HydrophobicContact CG-CE2 4.49Å; V429-F443 HydrophobicContact CG1-CB 4.4Å; V429-F443 HydrophobicContact CG2-CB 3.76Å; V429-F443 HydrophobicContact CG2-CD2 3.84Å; V429-F443 HydrophobicContact CG2-CG 4.07Å; I438-F443 HydrophobicContact CG2-CB 4.01Å; I438-F443 PolarHBondContact O-N 3.34Å; W441-F443 HydrophobicContact CB-CD1 4.1Å; W441-F443 HydrophobicContact CB-CD2 3.64Å; W441-F443 HydrophobicContact CB-CE1 3.88Å; W441-F443 HydrophobicContact CB-CE2 3.37Å; W441-F443 HydrophobicContact CB-CG 3.99Å; W441-F443 HydrophobicContact CB-CZ 3.5Å; W441-F443 VanDerWaalsContact CB-CZ 3.5Å; W441-F443 HydrophobicContact CG-CD2 4.45Å; W441-F443 AromaticContact CG-CE2 3.81Å; W441-F443 HydrophobicContact CG-CE2 3.81Å; W441-F443 AromaticContact CG-CZ 3.97Å; W441-F443 HydrophobicContact CG-CZ 3.97Å; W441-F443 PolarHBondContact O-N 3.24Å; F443-Q445 PolarHBondContact O-N 3.46Å; F443-L446 HydrophobicContact CB-CD1 4.17Å; F443-L446 HydrophobicContact CB-CG 4.5Å; F443-L446 HydrophobicContact CD1-CD1 3.52Å; F443-L446 HydrophobicContact CD1-CG 4.11Å; F443-L446 HydrophobicContact CE1-CD1 4.25Å; F443-L446 HydrophobicContact CG-CD1 4.11Å; F443-L446 VanDerWaalsContact O-CB 3.31Å; F443-L446 WeakPolarHBondContact O-CB 3.41Å; F443-L446 PolarHBondContact O-N 2.86Å
444E92.8Very high93.2Very high74 Ų7490 Ų9035%0.34641%0.412SS..G310 helixtrans-61.1-18.6168.469.8-78.3-177.700113.4I438 K439 R442 Y449I438-E444 HydrophobicContact CG2-CB 4.38Å; I438-E444 VanDerWaalsContact O-OE2 3.11Å; K439-E444 WeakPolarHBondContact CA-OE2 3.45Å; R442-E444 VanDerWaalsContact C-OE2 3.24Å; R442-E444 VanDerWaalsContact CA-OE2 3.31Å; R442-E444 WeakPolarHBondContact CA-OE2 3.38Å; R442-E444 PolarHBondContact O-N 2.99Å; E444-Y449 HydrophobicContact CB-CD1 4.43Å; E444-Y449 HydrophobicContact CB-CE1 4.34Å
445Q93.7Very high93.3Very high138 Ų13887.8 Ų87.865%0.64540%0.395SS*.G310 helixtrans-86.5-11176.3-56-178.3-6.100112.4R442 F443R442-Q445 HydrophobicContact CB-CG 4.37Å; R442-Q445 WeakPolarHBondContact O-CB 3.14Å; R442-Q445 PolarHBondContact O-N 3.46Å; R442-Q445 VanDerWaalsContact O-N 3.1Å; F443-Q445 PolarHBondContact O-N 3.46Å
446L94.5Very high93.4Very high39 Ų3988.2 Ų88.220%0.20440%0.401CS..SBendtrans-71.5137.7176.9-64-177.6000110.1R416 M417 V429 F443 T448 Y449R416-L446 HydrophobicContact CB-CD1 4.28Å; R416-L446 HydrophobicContact CB-CD2 4.1Å; M417-L446 HydrophobicContact CG-CD1 3.75Å; V429-L446 HydrophobicContact CG1-CD1 4.48Å; F443-L446 HydrophobicContact CB-CD1 4.17Å; F443-L446 HydrophobicContact CB-CG 4.5Å; F443-L446 HydrophobicContact CD1-CD1 3.52Å; F443-L446 HydrophobicContact CD1-CG 4.11Å; F443-L446 HydrophobicContact CE1-CD1 4.25Å; F443-L446 HydrophobicContact CG-CD1 4.11Å; F443-L446 VanDerWaalsContact O-CB 3.31Å; F443-L446 WeakPolarHBondContact O-CB 3.41Å; F443-L446 PolarHBondContact O-N 2.86Å; L446-T448 PolarHBondContact O-N 3.25Å; L446-Y449 VanDerWaalsContact O-CB 3.22Å; L446-Y449 WeakPolarHBondContact O-CB 3.28Å; L446-Y449 PolarHBondContact O-N 2.87Å
447Q93.9Very high93.5Very high153 Ų15384 Ų8472%0.71538%0.381SS*.THydrogen-bonded Turntrans-60.7-18.5173.5-67.4-179.1-32.300113.4L451Q447-L451 WeakPolarHBondContact O-CG 3.42Å
448T95.1Very high93.5Very high2 Ų286.1 Ų86.11%0.01239%0.39CS..THydrogen-bonded Turntrans-85.3-8177490000113.8C413 R416 L446 G450 L451C413-T448 HydrophobicContact CB-CG2 4.06Å; R416-T448 VanDerWaalsContact NH1-CG2 3.3Å; L446-T448 PolarHBondContact O-N 3.25Å; T448-G450 PolarHBondContact O-N 3.23Å; T448-L451 HydrophobicContact CG2-CD1 4.02Å; T448-L451 PolarHBondContact O-N 3.23Å
449Y96.3Very high93.4Very high60 Ų6091.1 Ų91.124%0.23541%0.414CS..THydrogen-bonded Turntrans-65.6122.2178.5-178.5-103.4000111V429 G432 S433 I438 E444 L446 L451V429-Y449 HydrophobicContact CG1-CD2 4.29Å; V429-Y449 WeakPolarHBondContact O-CA 3.48Å; V429-Y449 WeakPolarHBondContact O-CD2 3.39Å; G432-Y449 VanDerWaalsContact C-OH 3.31Å; G432-Y449 PolarHBondContact O-OH 3.32Å; G432-Y449 VanDerWaalsContact O-OH 3.09Å; S433-Y449 PolarHBondContact O-OH 3.05Å; I438-Y449 HydrophobicContact CD1-CE2 4.29Å; I438-Y449 HydrophobicContact CG2-CD2 4.17Å; I438-Y449 HydrophobicContact CG2-CE2 3.7Å; E444-Y449 HydrophobicContact CB-CD1 4.43Å; E444-Y449 HydrophobicContact CB-CE1 4.34Å; L446-Y449 VanDerWaalsContact O-CB 3.22Å; L446-Y449 WeakPolarHBondContact O-CB 3.28Å; L446-Y449 PolarHBondContact O-N 2.87Å; Y449-L451 VanDerWaalsContact C-N 3.29Å; Y449-L451 PolarHBondContact O-N 2.87Å
450G95.6Very high93.6Very high16 Ų1684.9 Ų84.917%0.16539%0.387CS..THydrogen-bonded Turntrans71.813.3178.200000115.8V429 L430 T448 M452 K453V429-G450 PolarHBondContact O-N 2.74Å; L430-G450 CarbonylContact O-C 3.44Å; L430-G450 WeakPolarHBondContact O-CA 3.18Å; L430-G450 PolarHBondContact O-N 2.84Å; T448-G450 PolarHBondContact O-N 3.23Å; G450-M452 PolarHBondContact O-N 2.9Å; G450-K453 WeakPolarHBondContact O-CB 3.16Å; G450-K453 PolarHBondContact O-N 3.44Å
451L95.9Very high93.6Very high75 Ų7579.4 Ų79.439%0.39336%0.364SS..THydrogen-bonded Turntrans-68-12.8176.3-75.3-172000114.5K409 L430 Q447 T448 Y449K409-L451 HydrophobicContact CD-CB 4.18Å; K409-L451 HydrophobicContact CG-CB 4.37Å; K409-L451 HydrophobicContact CG-CD1 4.21Å; K409-L451 PolarHBondContact NZ-O 2.87Å; L430-L451 PolarHBondContact O-N 2.82Å; L430-L451 VanDerWaalsContact O-N 3.15Å; Q447-L451 WeakPolarHBondContact O-CG 3.42Å; T448-L451 HydrophobicContact CG2-CD1 4.02Å; T448-L451 PolarHBondContact O-N 3.23Å; Y449-L451 VanDerWaalsContact C-N 3.29Å; Y449-L451 PolarHBondContact O-N 2.87Å
452M97Very high93.5Very high2 Ų273.5 Ų73.51%0.0135%0.346CS..THydrogen-bonded Turntrans-128.735179-60.5-172.279.300110.6D406 K409 V410 L430 G450 E454 Y455 V460 L463D406-M452 HydrophobicContact CB-CE 4.1Å; K409-M452 HydrophobicContact CB-CG 4.39Å; K409-M452 HydrophobicContact CB-SD 4.27Å; K409-M452 HydrophobicContact CD-CG 3.69Å; K409-M452 HydrophobicContact CD-SD 4.35Å; V410-M452 HydrophobicContact CG2-SD 4.11Å; L430-M452 HydrophobicContact CB-CB 4.21Å; L430-M452 HydrophobicContact CB-CG 4.34Å; L430-M452 HydrophobicContact CB-SD 4.29Å; L430-M452 HydrophobicContact CD1-SD 4.1Å; L430-M452 HydrophobicContact CD2-CG 4.34Å; L430-M452 HydrophobicContact CD2-SD 4.22Å; L430-M452 HydrophobicContact CG-SD 4.45Å; L430-M452 CarbonylContact O-C 3.52Å; L430-M452 PolarHBondContact O-N 3.41Å; G450-M452 PolarHBondContact O-N 2.9Å; M452-E454 VanDerWaalsContact C-OE2 3.26Å; M452-E454 WeakPolarHBondContact CA-OE2 3.4Å; M452-E454 PolarHBondContact O-N 3.29Å; M452-Y455 HydrophobicContact CB-CD2 3.9Å; M452-Y455 HydrophobicContact CE-CD2 3.64Å; M452-Y455 HydrophobicContact CE-CE2 3.75Å; M452-Y455 HydrophobicContact CE-CG 4.34Å; M452-Y455 HydrophobicContact CG-CD2 4.41Å; M452-Y455 PolarHBondContact O-N 3.1Å; M452-Y455 VanDerWaalsContact O-N 3.07Å; M452-V460 HydrophobicContact CB-CG2 4.16Å; M452-V460 HydrophobicContact CE-CG2 4.16Å; M452-V460 HydrophobicContact SD-CG1 4.31Å; M452-V460 HydrophobicContact SD-CG2 4.22Å; M452-L463 HydrophobicContact CE-CD2 3.87Å
453K94Very high93.5Very high165 Ų16566.2 Ų66.272%0.71732%0.319SS*.THydrogen-bonded Turntrans-63.7-21-177.863.5-177.3178.6-178.80113.9G450 Y455G450-K453 WeakPolarHBondContact O-CB 3.16Å; G450-K453 PolarHBondContact O-N 3.44Å; K453-Y455 VanDerWaalsContact C-N 3.27Å
454E92.5Very high93.5Very high114 Ų11465.6 Ų65.653%0.53332%0.317SS..THydrogen-bonded Turntrans-72.3-21.8174.565.8-78.6-174.400112.7K409 M452K409-E454 IonicContact NZ-OE1 2.79Å; M452-E454 VanDerWaalsContact C-OE2 3.26Å; M452-E454 WeakPolarHBondContact CA-OE2 3.4Å; M452-E454 PolarHBondContact O-N 3.29Å
455Y93.3Very high93.4Very high82 Ų8262.9 Ų62.932%0.32231%0.305SS..SBendtrans-96.4147.6177.8-63.7-79.1000111.2D406 T431 M452 K453 E459D406-Y455 PolarHBondContact OD2-OH 3.34Å; T431-Y455 WeakPolarHBondContact CG2-O 3.28Å; M452-Y455 HydrophobicContact CB-CD2 3.9Å; M452-Y455 HydrophobicContact CE-CD2 3.64Å; M452-Y455 HydrophobicContact CE-CE2 3.75Å; M452-Y455 HydrophobicContact CE-CG 4.34Å; M452-Y455 HydrophobicContact CG-CD2 4.41Å; M452-Y455 PolarHBondContact O-N 3.1Å; M452-Y455 VanDerWaalsContact O-N 3.07Å; K453-Y455 VanDerWaalsContact C-N 3.27Å; Y455-E459 HydrophobicContact CD1-CB 4.34Å
456S92.8Very high93.3Very high52 Ų5256.8 Ų56.836%0.36428%0.276SS..  trans-70.8154.7167.570.20000111.3K458 E459 V460S456-K458 PolarHBondContact O-N 3.4Å; S456-K458 VanDerWaalsContact O-N 3.12Å; S456-E459 WeakPolarHBondContact CA-OE2 3.5Å; S456-E459 VanDerWaalsContact CB-OE2 3.23Å; S456-E459 WeakPolarHBondContact CB-OE2 3.38Å; S456-E459 PolarHBondContact N-OE2 2.64Å; S456-E459 PolarHBondContact O-N 2.96Å; S456-E459 VanDerWaalsContact OG-CD 3.32Å; S456-E459 WeakPolarHBondContact OG-CG 3.5Å; S456-E459 PolarHBondContact OG-N 3.16Å; S456-E459 PolarHBondContact OG-OE2 2.74Å; S456-V460 PolarHBondContact O-N 3.18Å
457Q92Very high93.3Very high82 Ų8255 Ų5538%0.38327%0.266SS..Hα-helixtrans-58.1-28.2173.8-70.1174.22900112.4T431 S461T431-Q457 HydrophobicContact CG2-CG 4Å; T431-Q457 WeakPolarHBondContact OG1-CG 3.44Å; Q457-S461 VanDerWaalsContact O-CB 3.22Å; Q457-S461 WeakPolarHBondContact O-CB 3.45Å; Q457-S461 PolarHBondContact O-N 3.19Å; Q457-S461 PolarHBondContact O-OG 3.06Å
458K88.3Confident93.3Very high165 Ų16548.1 Ų48.172%0.71724%0.235SC*.Hα-helixtrans-68.9-44.6176.3-173.9-177175.3-1700111.1S456 S461 G462S456-K458 PolarHBondContact O-N 3.4Å; S456-K458 VanDerWaalsContact O-N 3.12Å; K458-S461 PolarHBondContact O-N 2.96Å; K458-G462 PolarHBondContact O-N 3.18Å
459E90.5Very high93Very high106 Ų10648 Ų4850%0.49523%0.234SC..Hα-helixtrans-64.6-45.7177-73.3159.5133.400111.6Y455 S456 S461 G462 L463Y455-E459 HydrophobicContact CD1-CB 4.34Å; S456-E459 WeakPolarHBondContact CA-OE2 3.5Å; S456-E459 VanDerWaalsContact CB-OE2 3.23Å; S456-E459 WeakPolarHBondContact CB-OE2 3.38Å; S456-E459 PolarHBondContact N-OE2 2.64Å; S456-E459 PolarHBondContact O-N 2.96Å; S456-E459 VanDerWaalsContact OG-CD 3.32Å; S456-E459 WeakPolarHBondContact OG-CG 3.5Å; S456-E459 PolarHBondContact OG-N 3.16Å; S456-E459 PolarHBondContact OG-OE2 2.74Å; E459-S461 VanDerWaalsContact C-N 3.34Å; E459-S461 PolarHBondContact O-N 3.48Å; E459-G462 PolarHBondContact O-N 3.07Å; E459-L463 PolarHBondContact O-N 2.67Å
460V94.7Very high92.7Very high1 Ų146.5 Ų46.51%0.00623%0.229CC..Hα-helixtrans-63.8-40176.3-179.60000111.2A427 L430 T431 M452 S456 G462 L463 I464A427-V460 HydrophobicContact CB-CB 4.23Å; A427-V460 HydrophobicContact CB-CG1 3.98Å; L430-V460 HydrophobicContact CB-CG1 4.21Å; L430-V460 HydrophobicContact CD1-CG1 3.72Å; T431-V460 HydrophobicContact CG2-CB 4.37Å; T431-V460 HydrophobicContact CG2-CG2 3.68Å; M452-V460 HydrophobicContact CB-CG2 4.16Å; M452-V460 HydrophobicContact CE-CG2 4.16Å; M452-V460 HydrophobicContact SD-CG1 4.31Å; M452-V460 HydrophobicContact SD-CG2 4.22Å; S456-V460 PolarHBondContact O-N 3.18Å; V460-G462 VanDerWaalsContact C-N 3.34Å; V460-G462 PolarHBondContact O-N 2.91Å; V460-L463 PolarHBondContact O-N 2.9Å; V460-I464 HydrophobicContact CG1-CD1 4.15Å; V460-I464 WeakPolarHBondContact O-CG1 3.49Å; V460-I464 PolarHBondContact O-N 3.12Å
461S92.4Very high92.5Very high26 Ų2650.1 Ų50.118%0.18224%0.242CC..Hα-helixtrans-63.1-40.4174.5-63.30000111.9Q457 K458 E459 L463 I464 D465Q457-S461 VanDerWaalsContact O-CB 3.22Å; Q457-S461 WeakPolarHBondContact O-CB 3.45Å; Q457-S461 PolarHBondContact O-N 3.19Å; Q457-S461 PolarHBondContact O-OG 3.06Å; K458-S461 PolarHBondContact O-N 2.96Å; E459-S461 VanDerWaalsContact C-N 3.34Å; E459-S461 PolarHBondContact O-N 3.48Å; S461-L463 VanDerWaalsContact C-N 3.35Å; S461-I464 PolarHBondContact O-N 3.45Å; S461-D465 PolarHBondContact O-N 2.93Å
462G89.7Confident92.5Very high15 Ų1547.4 Ų47.416%0.15523%0.226CC..Hα-helixtrans-65.9-34.8174.600000113.1K458 E459 V460 Y466K458-G462 PolarHBondContact O-N 3.18Å; E459-G462 PolarHBondContact O-N 3.07Å; V460-G462 VanDerWaalsContact C-N 3.34Å; V460-G462 PolarHBondContact O-N 2.91Å; G462-Y466 PolarHBondContact O-N 3.09Å
463L93.1Very high92.4Very high10 Ų1047.4 Ų47.45%0.05223%0.226CC..Hα-helixtrans-65.3-44.1170.6176.261.9000111.1I403 D406 V410 M452 E459 V460 S461 D465 Y466 L467I403-L463 HydrophobicContact CD1-CD1 3.69Å; D406-L463 HydrophobicContact CB-CD2 4.12Å; V410-L463 HydrophobicContact CG2-CD2 3.79Å; V410-L463 HydrophobicContact CG2-CG 4.33Å; M452-L463 HydrophobicContact CE-CD2 3.87Å; E459-L463 PolarHBondContact O-N 2.67Å; V460-L463 PolarHBondContact O-N 2.9Å; S461-L463 VanDerWaalsContact C-N 3.35Å; L463-D465 VanDerWaalsContact C-N 3.33Å; L463-D465 PolarHBondContact O-N 3.03Å; L463-Y466 HydrophobicContact CD1-CD1 4.25Å; L463-Y466 WeakPolarHBondContact O-CB 3.33Å; L463-Y466 PolarHBondContact O-N 3.22Å; L463-L467 HydrophobicContact CD1-CD1 4.27Å; L463-L467 HydrophobicContact CD1-CD2 4.5Å; L463-L467 HydrophobicContact CD1-CG 4.11Å; L463-L467 HydrophobicContact CG-CD1 4.1Å; L463-L467 HydrophobicContact CG-CG 4.37Å; L463-L467 VanDerWaalsContact O-CG 3.28Å; L463-L467 WeakPolarHBondContact O-CG 3.23Å; L463-L467 PolarHBondContact O-N 2.86Å
464I95.3Very high92.4Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-61.3-43.4175.8-68163.2000111V410 K423 V426 A427 V460 S461 Y466 L467 T468 L473 L483V410-I464 HydrophobicContact CG1-CG1 3.74Å; V410-I464 HydrophobicContact CG2-CG1 4.5Å; K423-I464 HydrophobicContact CB-CD1 4.45Å; K423-I464 HydrophobicContact CB-CG2 3.82Å; V426-I464 HydrophobicContact CB-CD1 4.13Å; V426-I464 HydrophobicContact CG1-CD1 3.88Å; A427-I464 HydrophobicContact CB-CD1 4.26Å; V460-I464 HydrophobicContact CG1-CD1 4.15Å; V460-I464 WeakPolarHBondContact O-CG1 3.49Å; V460-I464 PolarHBondContact O-N 3.12Å; S461-I464 PolarHBondContact O-N 3.45Å; I464-Y466 VanDerWaalsContact C-N 3.32Å; I464-Y466 PolarHBondContact O-N 3.28Å; I464-L467 PolarHBondContact O-N 3.3Å; I464-T468 WeakPolarHBondContact O-CB 3.41Å; I464-T468 PolarHBondContact O-N 3.46Å; I464-T468 PolarHBondContact O-OG1 3.34Å; I464-L473 HydrophobicContact CG2-CD1 3.97Å; I464-L483 HydrophobicContact CG2-CD1 3.68Å
465D91.2Very high92.4Very high17 Ų1738.4 Ų38.49%0.09119%0.193CC..Hα-helixtrans-62-40.2177-72.6-36.8000111H368 K423 S461 L463 T468 A469H368-D465 HydrophobicContact CB-CB 4.35Å; H368-D465 IonicContact CE1-OD2 2.76Å; K423-D465 IonicContact NZ-OD1 3.54Å; K423-D465 PolarHBondContact NZ-OD1 3.32Å; K423-D465 IonicContact NZ-OD2 3.93Å; K423-D465 PolarHBondContact NZ-OD2 3.38Å; S461-D465 PolarHBondContact O-N 2.93Å; L463-D465 VanDerWaalsContact C-N 3.33Å; L463-D465 PolarHBondContact O-N 3.03Å; D465-T468 PolarHBondContact O-N 2.89Å; D465-A469 WeakPolarHBondContact O-CB 3.49Å; D465-A469 PolarHBondContact O-N 3.49Å
466Y91.4Very high92.2Very high11 Ų1136.7 Ų36.74%0.04319%0.194CC..Hα-helixtrans-60.2-52171170.6-102.7000112.2Q370 I403 G462 L463 I464 T468 A469 E470 V499 Y500 R501Q370-Y466 HydrophobicContact CB-CE2 3.94Å; Q370-Y466 HydrophobicContact CG-CD2 4.11Å; Q370-Y466 HydrophobicContact CG-CE2 3.63Å; I403-Y466 HydrophobicContact CD1-CD1 4.22Å; I403-Y466 HydrophobicContact CD1-CE1 3.86Å; G462-Y466 PolarHBondContact O-N 3.09Å; L463-Y466 HydrophobicContact CD1-CD1 4.25Å; L463-Y466 WeakPolarHBondContact O-CB 3.33Å; L463-Y466 PolarHBondContact O-N 3.22Å; I464-Y466 VanDerWaalsContact C-N 3.32Å; I464-Y466 PolarHBondContact O-N 3.28Å; Y466-T468 PolarHBondContact O-N 3.22Å; Y466-A469 WeakPolarHBondContact O-CB 3.34Å; Y466-A469 PolarHBondContact O-N 3.03Å; Y466-E470 HydrophobicContact CD2-CG 3.89Å; Y466-E470 HydrophobicContact CE1-CG 4.14Å; Y466-E470 HydrophobicContact CE2-CG 3.42Å; Y466-E470 VanDerWaalsContact CE2-CG 3.42Å; Y466-E470 HydrophobicContact CG-CG 4.43Å; Y466-E470 WeakPolarHBondContact O-CG 3.42Å; Y466-E470 PolarHBondContact O-N 3.21Å; Y466-V499 HydrophobicContact CE1-CG1 4.35Å; Y466-Y500 PolarHBondContact OH-O 2.87Å; Y466-R501 HydrophobicContact CD1-CG 4.47Å; Y466-R501 HydrophobicContact CE1-CB 4.15Å; Y466-R501 HydrophobicContact CE1-CG 4.13Å; Y466-R501 HydrophobicContact CE2-CG 4.18Å
467L94.9Very high91.7Very high0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-62.6-29.7-179.1-67.9176.8000113T407 V410 L463 I464 H471 Y472 L473 V499T407-L467 HydrophobicContact CG2-CD1 3.89Å; T407-L467 HydrophobicContact CG2-CD2 3.44Å; T407-L467 VanDerWaalsContact CG2-CD2 3.44Å; T407-L467 HydrophobicContact CG2-CG 4.31Å; V410-L467 HydrophobicContact CB-CD1 3.9Å; V410-L467 HydrophobicContact CG1-CD1 3.84Å; V410-L467 HydrophobicContact CG2-CD1 4.22Å; L463-L467 HydrophobicContact CD1-CD1 4.27Å; L463-L467 HydrophobicContact CD1-CD2 4.5Å; L463-L467 HydrophobicContact CD1-CG 4.11Å; L463-L467 HydrophobicContact CG-CD1 4.1Å; L463-L467 HydrophobicContact CG-CG 4.37Å; L463-L467 VanDerWaalsContact O-CG 3.28Å; L463-L467 WeakPolarHBondContact O-CG 3.23Å; L463-L467 PolarHBondContact O-N 2.86Å; I464-L467 PolarHBondContact O-N 3.3Å; L467-H471 PolarHBondContact O-N 2.97Å; L467-Y472 HydrophobicContact CD2-CD2 3.78Å; L467-Y472 HydrophobicContact CD2-CE2 4.43Å; L467-Y472 HydrophobicContact CD2-CG 4.27Å; L467-Y472 WeakPolarHBondContact O-CA 3.34Å; L467-Y472 WeakPolarHBondContact O-CB 3.44Å; L467-Y472 PolarHBondContact O-N 3.08Å; L467-L473 HydrophobicContact CB-CD1 4.01Å; L467-L473 HydrophobicContact CB-CG 4.38Å; L467-L473 PolarHBondContact O-N 2.88Å; L467-V499 HydrophobicContact CD2-CG1 4.33Å
468T93.1Very high91Very high9 Ų937.6 Ų37.66%0.05520%0.195CC..Hα-helixtrans-72.3-44.5173.5-470000110.6Q365 I464 D465 Y466 E470 H471 P475Q365-T468 HydrophobicContact CG-CG2 4.37Å; Q365-T468 VanDerWaalsContact NE2-CG2 3.27Å; I464-T468 WeakPolarHBondContact O-CB 3.41Å; I464-T468 PolarHBondContact O-N 3.46Å; I464-T468 PolarHBondContact O-OG1 3.34Å; D465-T468 PolarHBondContact O-N 2.89Å; Y466-T468 PolarHBondContact O-N 3.22Å; T468-E470 VanDerWaalsContact C-N 3.29Å; T468-E470 PolarHBondContact O-N 3.17Å; T468-H471 PolarHBondContact O-N 2.96Å; T468-H471 VanDerWaalsContact O-N 3.1Å; T468-P475 HydrophobicContact CG2-CB 4.48Å; T468-P475 HydrophobicContact CG2-CG 3.84Å
469A88.5Confident90.5Very high0 Ų032.8 Ų32.80%018%0.175CC..Hα-helixtrans-64.2-32177.900000113.2Q365 D465 Y466 H471Q365-A469 HydrophobicContact CB-CB 3.74Å; Q365-A469 HydrophobicContact CG-CB 4.15Å; Q365-A469 WeakPolarHBondContact O-CB 3.35Å; D465-A469 WeakPolarHBondContact O-CB 3.49Å; D465-A469 PolarHBondContact O-N 3.49Å; Y466-A469 WeakPolarHBondContact O-CB 3.34Å; Y466-A469 PolarHBondContact O-N 3.03Å; A469-H471 VanDerWaalsContact C-N 3.28Å
470E90.5Very high90.2Very high29 Ų2936.2 Ų36.214%0.13619%0.185CC..THydrogen-bonded Turntrans-91.417.1175.2-54.6-62.6137.300112.8T369 Q370 M371 Y466 T468 Y472T369-E470 WeakPolarHBondContact CA-OE1 3.48Å; T369-E470 PolarHBondContact OG1-OE1 3.39Å; Q370-E470 PolarHBondContact N-OE1 3.49Å; M371-E470 WeakPolarHBondContact CG-OE2 3.22Å; M371-E470 PolarHBondContact N-OE1 3.2Å; Y466-E470 HydrophobicContact CD2-CG 3.89Å; Y466-E470 HydrophobicContact CE1-CG 4.14Å; Y466-E470 HydrophobicContact CE2-CG 3.42Å; Y466-E470 VanDerWaalsContact CE2-CG 3.42Å; Y466-E470 HydrophobicContact CG-CG 4.43Å; Y466-E470 WeakPolarHBondContact O-CG 3.42Å; Y466-E470 PolarHBondContact O-N 3.21Å; T468-E470 VanDerWaalsContact C-N 3.29Å; T468-E470 PolarHBondContact O-N 3.17Å; E470-Y472 VanDerWaalsContact C-N 3.28Å; E470-Y472 HydrophobicContact CB-CD2 3.75Å; E470-Y472 HydrophobicContact CB-CE2 3.65Å; E470-Y472 PolarHBondContact O-N 3.44Å; E470-Y472 VanDerWaalsContact O-N 3.15Å
471H91.6Very high89.7Confident91 Ų9137.9 Ų37.942%0.42120%0.196SC..THydrogen-bonded Turntrans61.317.5174.5-54.9-61.4000117.3L467 T468 A469 L473 S486L467-H471 PolarHBondContact O-N 2.97Å; T468-H471 PolarHBondContact O-N 2.96Å; T468-H471 VanDerWaalsContact O-N 3.1Å; A469-H471 VanDerWaalsContact C-N 3.28Å; H471-L473 VanDerWaalsContact C-N 3.33Å; H471-S486 WeakPolarHBondContact O-CB 3.44Å; H471-S486 PolarHBondContact O-OG 3.46Å
472Y95Very high89.8Confident18 Ų1839.8 Ų39.87%0.07120%0.204CC..SBendtrans-74.3-25.9170.2-62.2-77.1000112.8L467 E470 S486 Q488 V492 V499L467-Y472 HydrophobicContact CD2-CD2 3.78Å; L467-Y472 HydrophobicContact CD2-CE2 4.43Å; L467-Y472 HydrophobicContact CD2-CG 4.27Å; L467-Y472 WeakPolarHBondContact O-CA 3.34Å; L467-Y472 WeakPolarHBondContact O-CB 3.44Å; L467-Y472 PolarHBondContact O-N 3.08Å; E470-Y472 VanDerWaalsContact C-N 3.28Å; E470-Y472 HydrophobicContact CB-CD2 3.75Å; E470-Y472 HydrophobicContact CB-CE2 3.65Å; E470-Y472 PolarHBondContact O-N 3.44Å; E470-Y472 VanDerWaalsContact O-N 3.15Å; Y472-S486 WeakPolarHBondContact CA-OG 3.32Å; Y472-S486 PolarHBondContact O-N 3.3Å; Y472-S486 VanDerWaalsContact O-N 3.16Å; Y472-S486 PolarHBondContact O-OG 3.23Å; Y472-Q488 HydrophobicContact CD1-CB 4.42Å; Y472-Q488 HydrophobicContact CD1-CG 3.82Å; Y472-Q488 HydrophobicContact CE1-CG 3.67Å; Y472-V492 HydrophobicContact CD1-CG2 3.74Å; Y472-V492 HydrophobicContact CE1-CG2 3.46Å; Y472-V492 VanDerWaalsContact CE1-CG2 3.46Å; Y472-V499 HydrophobicContact CD1-CG2 4.49Å; Y472-V499 HydrophobicContact CE1-CG2 3.79Å; Y472-V499 HydrophobicContact CE2-CG1 3.91Å; Y472-V499 HydrophobicContact CE2-CG2 4.35Å
473L96.3Very high90.1Very high2 Ų239.4 Ų39.41%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-120.5139.5174.9-71.4170.4000110V410 L411 V414 I464 L467 H471 L483 T484 V485V410-L473 HydrophobicContact CG1-CD1 4.15Å; L411-L473 HydrophobicContact CD2-CD1 4.43Å; L411-L473 HydrophobicContact CD2-CD2 3.48Å; L411-L473 VanDerWaalsContact CD2-CD2 3.48Å; L411-L473 HydrophobicContact CD2-CG 3.7Å; V414-L473 HydrophobicContact CB-CD2 4.41Å; V414-L473 HydrophobicContact CG1-CD2 4.22Å; V414-L473 HydrophobicContact CG2-CD2 4.07Å; I464-L473 HydrophobicContact CG2-CD1 3.97Å; L467-L473 HydrophobicContact CB-CD1 4.01Å; L467-L473 HydrophobicContact CB-CG 4.38Å; L467-L473 PolarHBondContact O-N 2.88Å; H471-L473 VanDerWaalsContact C-N 3.33Å; L473-L483 HydrophobicContact CB-CD2 4.48Å; L473-L483 HydrophobicContact CD1-CD1 4.42Å; L473-T484 WeakPolarHBondContact CA-O 3.2Å; L473-T484 WeakPolarHBondContact CD2-O 3.34Å; L473-V485 HydrophobicContact CD2-CG2 4.33Å
474V93.9Very high90.3Very high70 Ų7041.5 Ų41.542%0.42421%0.211SC..EExtended strand (participates in β ladder)trans-110.5118.2174-176.10000108.8T484V474-T484 WeakPolarHBondContact CB-OG1 3.28Å; V474-T484 PolarHBondContact N-O 3.16Å; V474-T484 PolarHBondContact O-N 3.5Å; V474-T484 PolarHBondContact O-OG1 2.78Å
475P91.8Very high90.3Very high20 Ų2042 Ų4213%0.1322%0.215CC..EExtended strand (participates in β ladder)trans-81.2139.7173.931.5-30.1000110.5R361 T468 P481 L482 L483R361-P475 VanDerWaalsContact CD-CG 3.45Å; T468-P475 HydrophobicContact CG2-CB 4.48Å; T468-P475 HydrophobicContact CG2-CG 3.84Å; P475-P481 HydrophobicContact CB-CB 3.94Å; P475-L482 CarbonylContact C-O 3.57Å; P475-L482 WeakPolarHBondContact CA-O 3.27Å; P475-L483 HydrophobicContact CB-CD2 4.36Å
476S89.2Confident90.6Very high47 Ų4742 Ų4233%0.32922%0.216SC..PPolyproline II helixtrans-67.3169.3169.676.40000111.8R361 P481 L482R361-S476 PolarHBondContact NH1-O 3.4Å; R361-S476 VanDerWaalsContact NH1-O 3.12Å; S476-P481 WeakPolarHBondContact O-CB 3.49Å; S476-P481 WeakPolarHBondContact OG-CA 3.44Å; S476-L482 PolarHBondContact N-O 3.47Å; S476-L482 PolarHBondContact OG-N 2.88Å
477E81.7Confident90.8Very high141 Ų14149.7 Ų49.766%0.65925%0.252SS*.SBendtrans-70.7163.3172.7-64.8-179.7-179.400112.7
478G78.1Confident90.8Very high12 Ų1253 Ų5312%0.12427%0.267CS..SBendtrans95.5178.9173.400000116.2Y480G478-Y480 VanDerWaalsContact C-N 3.34Å; G478-Y480 PolarHBondContact O-N 2.86Å
479Q77.5Confident90.9Very high64 Ų6452.5 Ų52.530%0.29927%0.265SS..SBendtrans-64.2-33-172.9-175.6-179.125.200113.9E344 Y357 P481E344-Q479 PolarHBondContact OE1-NE2 3.3Å; Y357-Q479 HydrophobicContact CD1-CB 4.38Å; Y357-Q479 HydrophobicContact CD1-CG 4.43Å; Y357-Q479 HydrophobicContact CD2-CB 4.08Å; Y357-Q479 HydrophobicContact CE1-CB 4.1Å; Y357-Q479 HydrophobicContact CE1-CG 3.74Å; Y357-Q479 HydrophobicContact CE2-CB 3.81Å; Y357-Q479 HydrophobicContact CE2-CG 4.07Å; Y357-Q479 HydrophobicContact CG-CB 4.38Å; Y357-Q479 PolarHBondContact OH-NE2 2.97Å; Q479-P481 WeakPolarHBondContact O-CD 3.42Å
480Y84Confident91.3Very high177 Ų17755.8 Ų55.869%0.69428%0.281SS*.SBendtrans-12475.4-178.5-58.4-73000110.2G478G478-Y480 VanDerWaalsContact C-N 3.34Å; G478-Y480 PolarHBondContact O-N 2.86Å
481P85.2Confident91.6Very high36 Ų3656.3 Ų56.323%0.23429%0.288CS..PPolyproline II helixtrans-66.9138.6-172.128.8-36.8000111.6G422 P475 S476 Q479G422-P481 WeakPolarHBondContact CA-O 3.17Å; P475-P481 HydrophobicContact CB-CB 3.94Å; S476-P481 WeakPolarHBondContact O-CB 3.49Å; S476-P481 WeakPolarHBondContact OG-CA 3.44Å; Q479-P481 WeakPolarHBondContact O-CD 3.42Å
482L93.7Very high91.8Very high67 Ų6752 Ų5235%0.35127%0.268SS..PPolyproline II helixtrans-85.4148.4170.3-47-176.1000108.5K420 P475 S476K420-L482 WeakPolarHBondContact O-CD2 3.25Å; P475-L482 CarbonylContact C-O 3.57Å; P475-L482 WeakPolarHBondContact CA-O 3.27Å; S476-L482 PolarHBondContact N-O 3.47Å; S476-L482 PolarHBondContact OG-N 2.88Å
483L96Very high91.7Very high7 Ų753.5 Ų53.54%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-99.5129.6178.9-65171.5000110.4V414 E419 F421 K423 V426 I464 L473 P475V414-L483 HydrophobicContact CG1-CB 4.04Å; V414-L483 WeakPolarHBondContact CG1-O 3.3Å; V414-L483 HydrophobicContact CG2-CB 4.28Å; V414-L483 HydrophobicContact CG2-CD1 4.45Å; E419-L483 WeakPolarHBondContact CA-O 3.15Å; E419-L483 WeakPolarHBondContact CB-O 3.23Å; F421-L483 PolarHBondContact O-N 2.89Å; F421-L483 VanDerWaalsContact O-N 3.09Å; K423-L483 HydrophobicContact CB-CD1 4.04Å; V426-L483 HydrophobicContact CG2-CD1 4.29Å; I464-L483 HydrophobicContact CG2-CD1 3.68Å; L473-L483 HydrophobicContact CB-CD2 4.48Å; L473-L483 HydrophobicContact CD1-CD1 4.42Å; P475-L483 HydrophobicContact CB-CD2 4.36Å
484T96.9Very high91.7Very high53 Ų5358.7 Ų58.733%0.32530%0.304SS..EExtended strand (participates in β ladder)trans-114.5155.5166.858.10000109.7E419 L473 V474E419-T484 HydrophobicContact CB-CG2 3.92Å; L473-T484 WeakPolarHBondContact CA-O 3.2Å; L473-T484 WeakPolarHBondContact CD2-O 3.34Å; V474-T484 WeakPolarHBondContact CB-OG1 3.28Å; V474-T484 PolarHBondContact N-O 3.16Å; V474-T484 PolarHBondContact O-N 3.5Å; V474-T484 PolarHBondContact O-OG1 2.78Å
485V96.9Very high91.6Very high12 Ų1258 Ų587%0.07331%0.312CS..EExtended strand (participates in β ladder)trans-87.4128.6175.9-174.70000109.3L411 V414 E419 L473 I490 L493L411-V485 HydrophobicContact CB-CG1 4.49Å; L411-V485 HydrophobicContact CB-CG2 4.4Å; L411-V485 HydrophobicContact CD2-CG1 4.22Å; L411-V485 HydrophobicContact CD2-CG2 4.45Å; V414-V485 HydrophobicContact CB-CG2 4.24Å; V414-V485 HydrophobicContact CG1-CG2 3.94Å; E419-V485 PolarHBondContact OE1-N 2.86Å; L473-V485 HydrophobicContact CD2-CG2 4.33Å; V485-I490 HydrophobicContact CG1-CG1 4.01Å; V485-L493 HydrophobicContact CG1-CD1 4.12Å
486S96.1Very high91.7Very high17 Ų1765 Ų6512%0.11934%0.34CS..  trans-74171.9176.674.50000112.2H471 Y472 Q488 G489 I490H471-S486 WeakPolarHBondContact O-CB 3.44Å; H471-S486 PolarHBondContact O-OG 3.46Å; Y472-S486 WeakPolarHBondContact CA-OG 3.32Å; Y472-S486 PolarHBondContact O-N 3.3Å; Y472-S486 VanDerWaalsContact O-N 3.16Å; Y472-S486 PolarHBondContact O-OG 3.23Å; S486-Q488 PolarHBondContact O-N 3.41Å; S486-Q488 PolarHBondContact OG-N 2.89Å; S486-G489 CarbonylContact O-C 3.59Å; S486-G489 PolarHBondContact O-N 2.96Å; S486-G489 VanDerWaalsContact O-N 3.13Å; S486-G489 PolarHBondContact OG-N 3.31Å; S486-I490 WeakPolarHBondContact O-CG1 3.23Å; S486-I490 PolarHBondContact O-N 3.49Å
487E95.3Very high91.9Very high172 Ų17265.9 Ų65.980%0.80434%0.339SS*.Hα-helixtrans-59.5-37.2171.4-63.6-172166.200112.5I490 S491E487-I490 PolarHBondContact O-N 2.93Å; E487-S491 PolarHBondContact O-N 2.67Å; E487-S491 PolarHBondContact O-OG 2.82Å; E487-S491 VanDerWaalsContact O-OG 3.09Å
488Q94.7Very high92.5Very high68 Ų6864.5 Ų64.532%0.31833%0.333SS..Hα-helixtrans-65.4-43173.6-169.3179.4-15.400111Y472 S486 I490 S491 V492Y472-Q488 HydrophobicContact CD1-CB 4.42Å; Y472-Q488 HydrophobicContact CD1-CG 3.82Å; Y472-Q488 HydrophobicContact CE1-CG 3.67Å; S486-Q488 PolarHBondContact O-N 3.41Å; S486-Q488 PolarHBondContact OG-N 2.89Å; Q488-I490 VanDerWaalsContact C-N 3.34Å; Q488-I490 PolarHBondContact O-N 3.47Å; Q488-S491 WeakPolarHBondContact O-CB 3.39Å; Q488-S491 PolarHBondContact O-N 3.29Å; Q488-S491 VanDerWaalsContact O-N 3.17Å; Q488-V492 PolarHBondContact O-N 2.93Å
489G95.9Very high93.2Very high0 Ų064 Ų640%033%0.327CS..Hα-helixtrans-61.7-38.9173.400000113L411 S486 S491 V492 L493L411-G489 VanDerWaalsContact CD1-O 3.26Å; L411-G489 WeakPolarHBondContact CD1-O 3.17Å; S486-G489 CarbonylContact O-C 3.59Å; S486-G489 PolarHBondContact O-N 2.96Å; S486-G489 VanDerWaalsContact O-N 3.13Å; S486-G489 PolarHBondContact OG-N 3.31Å; G489-S491 VanDerWaalsContact C-N 3.29Å; G489-S491 PolarHBondContact O-N 3.11Å; G489-V492 PolarHBondContact O-N 3.39Å; G489-L493 PolarHBondContact O-N 3.26Å
490I96.5Very high93.8Very high69 Ų6965.7 Ų65.735%0.35433%0.331SS..Hα-helixtrans-62.6-39.7174.6-69167.6000110.4V485 S486 E487 Q488 V492 L493 L494V485-I490 HydrophobicContact CG1-CG1 4.01Å; S486-I490 WeakPolarHBondContact O-CG1 3.23Å; S486-I490 PolarHBondContact O-N 3.49Å; E487-I490 PolarHBondContact O-N 2.93Å; Q488-I490 VanDerWaalsContact C-N 3.34Å; Q488-I490 PolarHBondContact O-N 3.47Å; I490-V492 VanDerWaalsContact C-N 3.3Å; I490-V492 PolarHBondContact O-N 3.47Å; I490-L493 WeakPolarHBondContact O-CB 3.47Å; I490-L493 PolarHBondContact O-N 2.87Å; I490-L494 HydrophobicContact CG2-CD1 3.87Å; I490-L494 HydrophobicContact CG2-CG 4.25Å; I490-L494 VanDerWaalsContact O-CG 3.31Å; I490-L494 WeakPolarHBondContact O-CG 3.36Å; I490-L494 PolarHBondContact O-N 3.46Å
491S96.5Very high94Very high40 Ų4060.3 Ų60.328%0.2831%0.31SS..Hα-helixtrans-61.5-38.7177.4-61.70000112.2E487 Q488 G489 L494 G495 K496E487-S491 PolarHBondContact O-N 2.67Å; E487-S491 PolarHBondContact O-OG 2.82Å; E487-S491 VanDerWaalsContact O-OG 3.09Å; Q488-S491 WeakPolarHBondContact O-CB 3.39Å; Q488-S491 PolarHBondContact O-N 3.29Å; Q488-S491 VanDerWaalsContact O-N 3.17Å; G489-S491 VanDerWaalsContact C-N 3.29Å; G489-S491 PolarHBondContact O-N 3.11Å; S491-L494 PolarHBondContact O-N 3.39Å; S491-G495 PolarHBondContact O-N 2.88Å; S491-K496 WeakPolarHBondContact O-CB 3.49Å; S491-K496 PolarHBondContact O-N 2.87Å
492V96.3Very high93.7Very high0 Ų060.5 Ų60.50%031%0.307CS..Hα-helixtrans-66.5-43.5172.8177.90000111.8T404 T407 Q408 L411 Y472 Q488 G489 I490 L494 G495 Q497 V499T404-V492 HydrophobicContact CG2-CG1 4.37Å; T407-V492 HydrophobicContact CG2-CG1 3.97Å; Q408-V492 HydrophobicContact CG-CG1 3.93Å; Q408-V492 PolarHBondContact NE2-O 3.2Å; L411-V492 HydrophobicContact CD1-CB 4.09Å; L411-V492 HydrophobicContact CD1-CG1 4.24Å; Y472-V492 HydrophobicContact CD1-CG2 3.74Å; Y472-V492 HydrophobicContact CE1-CG2 3.46Å; Y472-V492 VanDerWaalsContact CE1-CG2 3.46Å; Q488-V492 PolarHBondContact O-N 2.93Å; G489-V492 PolarHBondContact O-N 3.39Å; I490-V492 VanDerWaalsContact C-N 3.3Å; I490-V492 PolarHBondContact O-N 3.47Å; V492-L494 PolarHBondContact O-N 2.86Å; V492-G495 PolarHBondContact O-N 3.22Å; V492-Q497 HydrophobicContact CG2-CB 4.01Å; V492-Q497 HydrophobicContact CG2-CG 4.15Å; V492-V499 HydrophobicContact CB-CG2 4.28Å; V492-V499 HydrophobicContact CG1-CG2 3.73Å; V492-V499 HydrophobicContact CG2-CG2 3.48Å; V492-V499 VanDerWaalsContact CG2-CG2 3.48Å
493L94.2Very high92.6Very high50 Ų5060.6 Ų60.626%0.26231%0.306SS..Hα-helixtrans-60-33.3176.1-80.3176.9000113L411 V485 G489 I490 G495L411-L493 HydrophobicContact CB-CD1 3.93Å; L411-L493 HydrophobicContact CB-CD2 3.7Å; L411-L493 HydrophobicContact CB-CG 3.71Å; L411-L493 HydrophobicContact CD1-CG 4.16Å; V485-L493 HydrophobicContact CG1-CD1 4.12Å; G489-L493 PolarHBondContact O-N 3.26Å; I490-L493 WeakPolarHBondContact O-CB 3.47Å; I490-L493 PolarHBondContact O-N 2.87Å; L493-G495 VanDerWaalsContact C-N 3.26Å
494L94.4Very high90.6Very high110 Ų11063.2 Ų63.258%0.57633%0.328SS*.THydrogen-bonded Turntrans-84.22.2176.8-64.7176.5000113.1I490 S491 V492 K496I490-L494 HydrophobicContact CG2-CD1 3.87Å; I490-L494 HydrophobicContact CG2-CG 4.25Å; I490-L494 VanDerWaalsContact O-CG 3.31Å; I490-L494 WeakPolarHBondContact O-CG 3.36Å; I490-L494 PolarHBondContact O-N 3.46Å; S491-L494 PolarHBondContact O-N 3.39Å; V492-L494 PolarHBondContact O-N 2.86Å; L494-K496 VanDerWaalsContact C-N 3.25Å; L494-K496 HydrophobicContact CB-CD 4.3Å; L494-K496 HydrophobicContact CB-CG 4.16Å; L494-K496 PolarHBondContact O-N 3.25Å
495G92.7Very high88.2Confident57 Ų5764.9 Ų64.959%0.58834%0.34SS*.THydrogen-bonded Turntrans69.219.4-178.700000114.2S491 V492 L493S491-G495 PolarHBondContact O-N 2.88Å; V492-G495 PolarHBondContact O-N 3.22Å; L493-G495 VanDerWaalsContact C-N 3.26Å
496K94Very high85.5Confident165 Ų16570.8 Ų70.872%0.71738%0.376SS*.SBendtrans-87.8-14.7179.1-63.4178.8178.4-179.70113.2S491 L494S491-K496 WeakPolarHBondContact O-CB 3.49Å; S491-K496 PolarHBondContact O-N 2.87Å; L494-K496 VanDerWaalsContact C-N 3.25Å; L494-K496 HydrophobicContact CB-CD 4.3Å; L494-K496 HydrophobicContact CB-CG 4.16Å; L494-K496 PolarHBondContact O-N 3.25Å
497Q93.6Very high82.5Confident66 Ų6678.1 Ų78.131%0.30841%0.406SS..SBendtrans-142.5134.1-177.3-178.3172.3-2.300109.9V492V492-Q497 HydrophobicContact CG2-CB 4.01Å; V492-Q497 HydrophobicContact CG2-CG 4.15Å
498E94.4Very high79.4Confident113 Ų11377.5 Ų77.553%0.52840%0.403SS..  trans-89.4156.4172.5-66.9171.9169.700110.4T404 Y500T404-E498 VanDerWaalsContact OG1-CA 3.3Å; T404-E498 WeakPolarHBondContact OG1-CA 3.31Å; E498-Y500 HydrophobicContact CB-CD2 4.35Å; E498-Y500 HydrophobicContact CB-CE2 3.61Å; E498-Y500 WeakPolarHBondContact OE2-CE2 3.22Å; E498-Y500 PolarHBondContact OE2-OH 2.69Å
499V93.1Very high77Confident0 Ų081.7 Ų81.70%043%0.426CS..  trans-127117-179.7-173.70000108.9I403 T404 T407 Y466 L467 Y472 V492I403-V499 CarbonylContact C-O 3.48Å; I403-V499 HydrophobicContact CD1-CG1 4.07Å; I403-V499 HydrophobicContact CG1-CB 4.33Å; I403-V499 HydrophobicContact CG1-CG1 3.95Å; I403-V499 VanDerWaalsContact CG1-O 3.25Å; I403-V499 WeakPolarHBondContact CG1-O 3.37Å; I403-V499 PolarHBondContact N-O 2.81Å; T404-V499 PolarHBondContact N-O 3.29Å; T404-V499 PolarHBondContact OG1-N 2.97Å; T407-V499 HydrophobicContact CG2-CB 4.42Å; T407-V499 HydrophobicContact CG2-CG1 4.46Å; T407-V499 HydrophobicContact CG2-CG2 3.95Å; Y466-V499 HydrophobicContact CE1-CG1 4.35Å; L467-V499 HydrophobicContact CD2-CG1 4.33Å; Y472-V499 HydrophobicContact CD1-CG2 4.49Å; Y472-V499 HydrophobicContact CE1-CG2 3.79Å; Y472-V499 HydrophobicContact CE2-CG1 3.91Å; Y472-V499 HydrophobicContact CE2-CG2 4.35Å; V492-V499 HydrophobicContact CB-CG2 4.28Å; V492-V499 HydrophobicContact CG1-CG2 3.73Å; V492-V499 HydrophobicContact CG2-CG2 3.48Å; V492-V499 VanDerWaalsContact CG2-CG2 3.48Å
500Y90.2Very high74.3Confident100 Ų10084.9 Ų84.939%0.39245%0.446SS..EExtended strand (participates in β ladder)trans-105.1153.4177.3-64.9-92.5000109.9L400 V401 D402 Y466 E498L400-Y500 HydrophobicContact CB-CD1 4.38Å; V401-Y500 CarbonylContact O-C 3.52Å; V401-Y500 WeakPolarHBondContact O-CA 3.36Å; D402-Y500 HydrophobicContact CB-CD1 4.12Å; D402-Y500 HydrophobicContact CB-CE1 3.84Å; Y466-Y500 PolarHBondContact OH-O 2.87Å; E498-Y500 HydrophobicContact CB-CD2 4.35Å; E498-Y500 HydrophobicContact CB-CE2 3.61Å; E498-Y500 WeakPolarHBondContact OE2-CE2 3.22Å; E498-Y500 PolarHBondContact OE2-OH 2.69Å
501R87.2Confident71.8Confident65 Ų6585.4 Ų85.425%0.24546%0.46CS..EExtended strand (participates in β ladder)trans-146.3130.2174.7-174.6179.4169.3-171.7-5109.6V401 I403 Y466 Q503V401-R501 PolarHBondContact N-O 3Å; V401-R501 PolarHBondContact O-N 2.95Å; I403-R501 HydrophobicContact CD1-CB 3.56Å; I403-R501 HydrophobicContact CD1-CG 4.31Å; I403-R501 HydrophobicContact CG1-CB 3.86Å; I403-R501 HydrophobicContact CG2-CB 4.19Å; Y466-R501 HydrophobicContact CD1-CG 4.47Å; Y466-R501 HydrophobicContact CE1-CB 4.15Å; Y466-R501 HydrophobicContact CE1-CG 4.13Å; Y466-R501 HydrophobicContact CE2-CG 4.18Å; R501-Q503 PolarHBondContact O-N 3.49Å
502K79Confident69.5Low39 Ų3990.9 Ų90.917%0.1749%0.487CS..EExtended strand (participates in β ladder)trans-62.9122170.4-63.5-172.4-176.7-176.50109.4Q370 N393 D396 R398 E399 L400Q370-K502 PolarHBondContact NE2-O 3.28Å; N393-K502 PolarHBondContact O-NZ 3.03Å; D396-K502 HydrophobicContact CB-CD 3.99Å; D396-K502 PolarHBondContact O-NZ 2.98Å; D396-K502 WeakPolarHBondContact OD2-CD 3.48Å; R398-K502 HydrophobicContact CB-CB 4.2Å; E399-K502 WeakPolarHBondContact O-CA 3.41Å; L400-K502 HydrophobicContact CD2-CG 3.59Å; L400-K502 HydrophobicContact CG-CG 4.31Å
503Q70Confident68.1Low70 Ų7094 Ų9433%0.32750%0.503SS..  trans-124.1144.1175.9-60.5-169.21900109.5E399 V401 R501E399-Q503 PolarHBondContact O-N 3.39Å; V401-Q503 HydrophobicContact CB-CG 4.24Å; V401-Q503 HydrophobicContact CG2-CB 3.97Å; V401-Q503 HydrophobicContact CG2-CG 4.13Å; R501-Q503 PolarHBondContact O-N 3.49Å
504A55.7Low67.4Low61 Ų6194.6 Ų94.650%0.50452%0.515SS..  trans-62.2135.617000000107.3V506A504-V506 PolarHBondContact O-N 2.93Å
505P44.6Very low66.9Low89 Ų8989.4 Ų89.458%0.57849%0.488SS*.  trans-54.2123.6172.422-30.8000106.8K507P505-K507 PolarHBondContact O-N 2.76Å
506V41.2Very low66.4Low135 Ų13587.4 Ų87.482%0.81846%0.463SS*.  trans-64.889.1165.7-179.40000104.2A504 Q508A504-V506 PolarHBondContact O-N 2.93Å; V506-Q508 VanDerWaalsContact C-N 3.25Å; V506-Q508 PolarHBondContact O-N 3.22Å
507K32.2Very low65.8Low172 Ų17283.1 Ų83.175%0.74845%0.446SS*.  trans-62100.9169.5-93.3-173.1175.1-179.80105.2P505 L509P505-K507 PolarHBondContact O-N 2.76Å; K507-L509 PolarHBondContact O-N 2.85Å
508Q31.2Very low65.5Low159 Ų15984.3 Ų84.374%0.74345%0.451SS*.  trans-59.197.9162-158.4169.1-2.600104.8V506 V510V506-Q508 VanDerWaalsContact C-N 3.25Å; V506-Q508 PolarHBondContact O-N 3.22Å; Q508-V510 PolarHBondContact O-N 2.58Å; Q508-V510 VanDerWaalsContact O-N 3.11Å
509L44.7Very low65.3Low156 Ų15678.9 Ų78.982%0.81743%0.426SS*.SBendtrans-63.9-13-176.9-80.2163.6000112.1K507K507-L509 PolarHBondContact O-N 2.85Å
510V39.7Very low64.9Low67 Ų6783.3 Ų83.341%0.40644%0.443SS..  trans-101.895.6176.7-166.40000105.8Q508 D512Q508-V510 PolarHBondContact O-N 2.58Å; Q508-V510 VanDerWaalsContact O-N 3.11Å; V510-D512 PolarHBondContact O-N 2.97Å
511A42.4Very low64.8Low80 Ų8082.3 Ų82.366%0.66145%0.45SS*.  trans-54126.6148.500000105.1D513A511-D513 PolarHBondContact O-N 3.3Å
512D48.3Very low64.9Low155 Ų15580.6 Ų80.683%0.82945%0.446SS*.  trans-67.965.8-177.1-139.75.3000108.9V510 A514V510-D512 PolarHBondContact O-N 2.97Å; D512-A514 PolarHBondContact O-N 3.37Å
513D66.7Low65.6Low65 Ų6579.5 Ų79.535%0.34844%0.441SS..  trans-90.794.6-176.4-167.9-21.6000106.4A511 L515 F516 E517A511-D513 PolarHBondContact O-N 3.3Å; D513-L515 PolarHBondContact O-N 3.13Å; D513-L515 VanDerWaalsContact O-N 3.14Å; D513-L515 WeakPolarHBondContact OD1-CB 3.44Å; D513-L515 PolarHBondContact OD1-N 3.07Å; D513-F516 HydrophobicContact CB-CB 3.94Å; D513-F516 WeakPolarHBondContact O-CA 3.25Å; D513-F516 WeakPolarHBondContact O-CB 3.26Å; D513-F516 PolarHBondContact O-N 3Å; D513-E517 PolarHBondContact O-N 3.16Å
514A80.1Confident66.2Low63 Ų6378.5 Ų78.552%0.52144%0.442SS..Hα-helixtrans-50.6-37.8-178.900000111.3D512 F516 E517 E518D512-A514 PolarHBondContact O-N 3.37Å; A514-F516 PolarHBondContact O-N 3.34Å; A514-E517 PolarHBondContact O-N 2.89Å; A514-E518 WeakPolarHBondContact O-CG 3.14Å; A514-E518 PolarHBondContact O-N 3.46Å
515L83.8Confident67.8Low1 Ų180.6 Ų80.61%0.00544%0.441CS..Hα-helixtrans-64.9-39.2178-176.157000112.3D513 E518 M519 A547 Q550 L579 E582D513-L515 PolarHBondContact O-N 3.13Å; D513-L515 VanDerWaalsContact O-N 3.14Å; D513-L515 WeakPolarHBondContact OD1-CB 3.44Å; D513-L515 PolarHBondContact OD1-N 3.07Å; L515-E518 PolarHBondContact O-N 2.94Å; L515-M519 HydrophobicContact CD1-CE 4.27Å; L515-M519 HydrophobicContact CD2-CE 4.15Å; L515-M519 HydrophobicContact CG-CE 3.67Å; L515-M519 VanDerWaalsContact O-CB 3.31Å; L515-M519 WeakPolarHBondContact O-CB 3.47Å; L515-M519 WeakPolarHBondContact O-CG 3.47Å; L515-M519 PolarHBondContact O-N 3.25Å; L515-A547 HydrophobicContact CD2-CB 4.27Å; L515-Q550 HydrophobicContact CD2-CG 4.15Å; L515-Q550 VanDerWaalsContact CD2-NE2 3.31Å; L515-L579 HydrophobicContact CD1-CD2 4.12Å; L515-L579 HydrophobicContact CD2-CD2 3.86Å; L515-L579 HydrophobicContact CG-CD2 4.4Å; L515-E582 WeakPolarHBondContact CB-OE2 3.47Å; L515-E582 HydrophobicContact CD1-CG 4.1Å; L515-E582 WeakPolarHBondContact CD1-OE2 3.41Å
516F81.7Confident70Confident15 Ų1576.6 Ų76.67%0.06642%0.415CS..Hα-helixtrans-63.9-41.4175.6178.7-103.2000111.6D513 A514 M519 R520 D540 L543 M544D513-F516 HydrophobicContact CB-CB 3.94Å; D513-F516 WeakPolarHBondContact O-CA 3.25Å; D513-F516 WeakPolarHBondContact O-CB 3.26Å; D513-F516 PolarHBondContact O-N 3Å; A514-F516 PolarHBondContact O-N 3.34Å; F516-M519 PolarHBondContact O-N 3.44Å; F516-R520 HydrophobicContact CD1-CG 4.4Å; F516-R520 HydrophobicContact CE1-CG 4.03Å; F516-R520 HydrophobicContact CZ-CG 4.12Å; F516-R520 WeakPolarHBondContact O-CG 3.4Å; F516-R520 PolarHBondContact O-N 3.39Å; F516-D540 HydrophobicContact CE2-CB 4.49Å; F516-D540 HydrophobicContact CZ-CB 4.15Å; F516-L543 HydrophobicContact CD2-CB 3.82Å; F516-L543 HydrophobicContact CE2-CB 3.59Å; F516-L543 HydrophobicContact CE2-CD1 4.47Å; F516-M544 HydrophobicContact CD2-CG 3.89Å; F516-M544 HydrophobicContact CE2-CE 4.32Å; F516-M544 HydrophobicContact CE2-CG 3.55Å; F516-M544 HydrophobicContact CZ-CE 4.09Å; F516-M544 HydrophobicContact CZ-CG 4.24Å
517E82.1Confident72Confident74 Ų7470.3 Ų70.335%0.34638%0.377SS..Hα-helixtrans-70.7-38.4177.1-74.1-58.714200112.5D513 A514 M519 R520 S521D513-E517 PolarHBondContact O-N 3.16Å; A514-E517 PolarHBondContact O-N 2.89Å; E517-M519 VanDerWaalsContact C-N 3.32Å; E517-M519 PolarHBondContact O-N 3.03Å; E517-R520 PolarHBondContact O-N 2.97Å; E517-R520 IonicContact OE1-CZ 3.51Å; E517-R520 IonicContact OE1-NH1 3.99Å; E517-R520 PolarHBondContact OE1-NH1 3.3Å; E517-R520 IonicContact OE2-CZ 2.71Å; E517-R520 IonicContact OE2-NH1 2.89Å; E517-S521 WeakPolarHBondContact O-CB 3.35Å; E517-S521 PolarHBondContact O-N 3.15Å
518E87.9Confident74.5Confident91 Ų9169.8 Ų69.843%0.42538%0.377SS..Hα-helixtrans-60.7-43.1170.5-72.9-161.9172.900111.5A514 L515 R520 S521 L522 L578A514-E518 WeakPolarHBondContact O-CG 3.14Å; A514-E518 PolarHBondContact O-N 3.46Å; L515-E518 PolarHBondContact O-N 2.94Å; E518-R520 VanDerWaalsContact C-N 3.35Å; E518-R520 PolarHBondContact O-N 3.34Å; E518-S521 WeakPolarHBondContact O-CB 3.44Å; E518-S521 PolarHBondContact O-N 3.06Å; E518-L522 PolarHBondContact O-N 3.37Å; E518-L578 HydrophobicContact CB-CD1 4.38Å; E518-L578 HydrophobicContact CB-CD2 4.15Å; E518-L578 WeakPolarHBondContact OE2-CD1 3.38Å
519M88.8Confident77.2Confident0 Ų068.1 Ų68.10%037%0.369CS..Hα-helixtrans-64.4-36.4174.6-83.6-164.1-86.300112.8L515 F516 E517 R523 L543 L546 A547 F575 L578 L579L515-M519 HydrophobicContact CD1-CE 4.27Å; L515-M519 HydrophobicContact CD2-CE 4.15Å; L515-M519 HydrophobicContact CG-CE 3.67Å; L515-M519 VanDerWaalsContact O-CB 3.31Å; L515-M519 WeakPolarHBondContact O-CB 3.47Å; L515-M519 WeakPolarHBondContact O-CG 3.47Å; L515-M519 PolarHBondContact O-N 3.25Å; F516-M519 PolarHBondContact O-N 3.44Å; E517-M519 VanDerWaalsContact C-N 3.32Å; E517-M519 PolarHBondContact O-N 3.03Å; M519-R523 WeakPolarHBondContact O-CB 3.42Å; M519-R523 PolarHBondContact O-N 3.23Å; M519-L543 HydrophobicContact CB-CD1 4.24Å; M519-L543 HydrophobicContact CB-CD2 4.15Å; M519-L543 WeakPolarHBondContact CE-O 3.06Å; M519-L543 HydrophobicContact SD-CD2 4.26Å; M519-L546 HydrophobicContact CE-CB 3.98Å; M519-L546 HydrophobicContact SD-CB 3.65Å; M519-L546 HydrophobicContact SD-CD1 4.11Å; M519-A547 HydrophobicContact CE-CB 3.56Å; M519-F575 HydrophobicContact CB-CD1 4.49Å; M519-F575 HydrophobicContact CB-CE1 4.05Å; M519-F575 HydrophobicContact CG-CD1 3.93Å; M519-F575 HydrophobicContact CG-CE1 3.99Å; M519-F575 HydrophobicContact SD-CD1 4.01Å; M519-F575 HydrophobicContact SD-CE1 4.34Å; M519-L578 HydrophobicContact CB-CD2 4.36Å; M519-L578 HydrophobicContact CG-CD2 3.6Å; M519-L579 HydrophobicContact CE-CD2 4.44Å
520R84.8Confident79.1Confident93 Ų9365.4 Ų65.435%0.35135%0.351SS..Hα-helixtrans-66.2-39.5173.1-81.4-176.666.5-168.96.5111.7F516 E517 E518 R523 S524 L543F516-R520 HydrophobicContact CD1-CG 4.4Å; F516-R520 HydrophobicContact CE1-CG 4.03Å; F516-R520 HydrophobicContact CZ-CG 4.12Å; F516-R520 WeakPolarHBondContact O-CG 3.4Å; F516-R520 PolarHBondContact O-N 3.39Å; E517-R520 PolarHBondContact O-N 2.97Å; E517-R520 IonicContact OE1-CZ 3.51Å; E517-R520 IonicContact OE1-NH1 3.99Å; E517-R520 PolarHBondContact OE1-NH1 3.3Å; E517-R520 IonicContact OE2-CZ 2.71Å; E517-R520 IonicContact OE2-NH1 2.89Å; E518-R520 VanDerWaalsContact C-N 3.35Å; E518-R520 PolarHBondContact O-N 3.34Å; R520-R523 PolarHBondContact O-N 2.89Å; R520-S524 WeakPolarHBondContact O-CB 3.49Å; R520-S524 PolarHBondContact O-N 3.41Å; R520-S524 PolarHBondContact O-OG 2.87Å; R520-L543 HydrophobicContact CG-CD1 3.84Å
521S88.3Confident81.3Confident79 Ų7969.4 Ų69.455%0.55237%0.37SS*.Hα-helixtrans-62.9-51.6176.3-171.40000110.6E517 E518 R523 S524 Q525E517-S521 WeakPolarHBondContact O-CB 3.35Å; E517-S521 PolarHBondContact O-N 3.15Å; E518-S521 WeakPolarHBondContact O-CB 3.44Å; E518-S521 PolarHBondContact O-N 3.06Å; S521-R523 PolarHBondContact O-N 3.44Å; S521-S524 PolarHBondContact O-N 2.72Å; S521-S524 VanDerWaalsContact O-N 3.11Å; S521-Q525 PolarHBondContact O-N 3.11Å
522L91Very high83.2Confident29 Ų2968.9 Ų68.915%0.15236%0.356CS..Hα-helixtrans-57.5-47175.2179.160.9000111.4E518 S524 Q525 L526 Q574 F575 L578E518-L522 PolarHBondContact O-N 3.37Å; L522-S524 VanDerWaalsContact C-N 3.29Å; L522-S524 PolarHBondContact O-N 3.09Å; L522-Q525 PolarHBondContact O-N 3.31Å; L522-L526 HydrophobicContact CD1-CD1 4.06Å; L522-L526 HydrophobicContact CD1-CG 4.19Å; L522-L526 HydrophobicContact CG-CD1 3.99Å; L522-L526 VanDerWaalsContact O-CG 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.46Å; L522-L526 PolarHBondContact O-N 3.03Å; L522-Q574 HydrophobicContact CD2-CB 4.28Å; L522-F575 HydrophobicContact CD2-CD1 4.1Å; L522-F575 HydrophobicContact CD2-CD2 4.06Å; L522-F575 HydrophobicContact CD2-CE1 4.17Å; L522-F575 HydrophobicContact CD2-CE2 4.16Å; L522-F575 HydrophobicContact CD2-CG 4.03Å; L522-F575 HydrophobicContact CD2-CZ 4.2Å; L522-F575 HydrophobicContact CG-CE2 4.28Å; L522-F575 HydrophobicContact CG-CZ 4.21Å; L522-L578 HydrophobicContact CB-CD2 4.39Å; L522-L578 HydrophobicContact CD2-CB 4.2Å; L522-L578 HydrophobicContact CD2-CD2 3.97Å
523R92.6Very high84.1Confident15 Ų1564.2 Ų64.26%0.05733%0.334CS..Hα-helixtrans-56.8-44.3176.4-174.1-176.263.7-177.5-7.7111.8M519 R520 S521 L526 A527 P534 I537 F538 D540 L543 F575M519-R523 WeakPolarHBondContact O-CB 3.42Å; M519-R523 PolarHBondContact O-N 3.23Å; R520-R523 PolarHBondContact O-N 2.89Å; S521-R523 PolarHBondContact O-N 3.44Å; R523-L526 PolarHBondContact O-N 3.07Å; R523-A527 WeakPolarHBondContact O-CB 3.38Å; R523-A527 PolarHBondContact O-N 3.24Å; R523-P534 VanDerWaalsContact CD-O 3.28Å; R523-P534 WeakPolarHBondContact CD-O 3.13Å; R523-P534 HydrophobicContact CG-CB 4.22Å; R523-I537 HydrophobicContact CG-CB 3.93Å; R523-I537 HydrophobicContact CG-CG1 4.47Å; R523-I537 HydrophobicContact CG-CG2 4.21Å; R523-F538 WeakPolarHBondContact CD-O 3.41Å; R523-F538 PolarHBondContact NH1-O 2.89Å; R523-D540 IonicContact CZ-OD1 2.81Å; R523-D540 IonicContact NH1-OD1 2.76Å; R523-D540 PolarHBondContact NH1-OD1 3.48Å; R523-D540 IonicContact NH2-OD1 3.78Å; R523-D540 PolarHBondContact NH2-OD1 3.33Å; R523-L543 HydrophobicContact CB-CD1 4.4Å; R523-F575 HydrophobicContact CB-CZ 4Å
524S82.9Confident84.7Confident50 Ų5063.4 Ų63.435%0.3533%0.332SS..Hα-helixtrans-67.6-40.4-177.6-580000111.2R520 S521 L522 A527 Q528R520-S524 WeakPolarHBondContact O-CB 3.49Å; R520-S524 PolarHBondContact O-N 3.41Å; R520-S524 PolarHBondContact O-OG 2.87Å; S521-S524 PolarHBondContact O-N 2.72Å; S521-S524 VanDerWaalsContact O-N 3.11Å; L522-S524 VanDerWaalsContact C-N 3.29Å; L522-S524 PolarHBondContact O-N 3.09Å; S524-A527 PolarHBondContact O-N 3.31Å; S524-Q528 WeakPolarHBondContact O-CB 3.39Å; S524-Q528 PolarHBondContact O-N 3.12Å
525Q89.5Confident84.6Confident104 Ų10468.2 Ų68.249%0.48634%0.338SS..Hα-helixtrans-59.6-50.2173.8-175.2-176-19.800111.3S521 L522 A527 Q528 E529S521-Q525 PolarHBondContact O-N 3.11Å; L522-Q525 PolarHBondContact O-N 3.31Å; Q525-A527 VanDerWaalsContact C-N 3.32Å; Q525-A527 PolarHBondContact O-N 2.95Å; Q525-Q528 WeakPolarHBondContact O-CB 3.27Å; Q525-Q528 PolarHBondContact O-N 3.43Å; Q525-E529 PolarHBondContact NE2-OE1 3.13Å; Q525-E529 VanDerWaalsContact NE2-OE1 3.13Å; Q525-E529 WeakPolarHBondContact O-CG 3.38Å; Q525-E529 PolarHBondContact O-N 3.15Å
526L89.5Confident84.5Confident6 Ų670.9 Ų70.93%0.03135%0.354CS..Hα-helixtrans-65.6-35.8180-63.5172.2000113.1L522 R523 Q528 K530 Y571 Q574 F575L522-L526 HydrophobicContact CD1-CD1 4.06Å; L522-L526 HydrophobicContact CD1-CG 4.19Å; L522-L526 HydrophobicContact CG-CD1 3.99Å; L522-L526 VanDerWaalsContact O-CG 3.26Å; L522-L526 WeakPolarHBondContact O-CG 3.46Å; L522-L526 PolarHBondContact O-N 3.03Å; R523-L526 PolarHBondContact O-N 3.07Å; L526-Q528 VanDerWaalsContact C-N 3.34Å; L526-K530 PolarHBondContact O-N 2.97Å; L526-K530 VanDerWaalsContact O-N 3.16Å; L526-Y571 HydrophobicContact CD1-CD1 4.22Å; L526-Q574 VanDerWaalsContact CD2-CD 3.49Å; L526-F575 HydrophobicContact CD1-CD2 4.41Å; L526-F575 HydrophobicContact CD1-CE2 3.72Å
527A83.3Confident84.8Confident2 Ų270.2 Ų70.22%0.01735%0.351CS..Hα-helixtrans-63.9-42.417500000111R523 S524 Q525 K530 N531 L532 P534 I537R523-A527 WeakPolarHBondContact O-CB 3.38Å; R523-A527 PolarHBondContact O-N 3.24Å; S524-A527 PolarHBondContact O-N 3.31Å; Q525-A527 VanDerWaalsContact C-N 3.32Å; Q525-A527 PolarHBondContact O-N 2.95Å; A527-K530 CarbonylContact O-C 3.19Å; A527-K530 PolarHBondContact O-N 3.37Å; A527-N531 WeakPolarHBondContact O-CA 3.46Å; A527-N531 PolarHBondContact O-N 3.04Å; A527-L532 CarbonylContact C-O 3.53Å; A527-L532 WeakPolarHBondContact CB-O 3.45Å; A527-L532 PolarHBondContact O-N 3.01Å; A527-P534 HydrophobicContact CB-CB 4.1Å; A527-P534 HydrophobicContact CB-CG 3.9Å; A527-I537 HydrophobicContact CB-CG1 3.89Å
528Q85Confident85.1Confident161 Ų16166.7 Ų66.775%0.75234%0.335SS*.Hα-helixtrans-67.2-42.8177.8-166.4172.88.600111.9S524 Q525 L526 K530 N531S524-Q528 WeakPolarHBondContact O-CB 3.39Å; S524-Q528 PolarHBondContact O-N 3.12Å; Q525-Q528 WeakPolarHBondContact O-CB 3.27Å; Q525-Q528 PolarHBondContact O-N 3.43Å; L526-Q528 VanDerWaalsContact C-N 3.34Å; Q528-K530 VanDerWaalsContact C-N 3.27Å; Q528-K530 PolarHBondContact O-N 3.31Å; Q528-N531 PolarHBondContact O-N 3.23Å; Q528-N531 VanDerWaalsContact O-N 3.12Å
529E88.6Confident84.9Confident125 Ų12564.5 Ų64.558%0.58433%0.33SS*.Hα-helixtrans-59.5-36.5175.8-73.6172.8-167.900112.5Q525Q525-E529 PolarHBondContact NE2-OE1 3.13Å; Q525-E529 VanDerWaalsContact NE2-OE1 3.13Å; Q525-E529 WeakPolarHBondContact O-CG 3.38Å; Q525-E529 PolarHBondContact O-N 3.15Å
530K85.1Confident84.6Confident98 Ų9868.1 Ų68.143%0.42635%0.349SS..THydrogen-bonded Turntrans-93.91177.1-65.4-155.7179.3-175.30114.4L526 A527 Q528 L532 N570 Y571L526-K530 PolarHBondContact O-N 2.97Å; L526-K530 VanDerWaalsContact O-N 3.16Å; A527-K530 CarbonylContact O-C 3.19Å; A527-K530 PolarHBondContact O-N 3.37Å; Q528-K530 VanDerWaalsContact C-N 3.27Å; Q528-K530 PolarHBondContact O-N 3.31Å; K530-L532 VanDerWaalsContact C-N 3.27Å; K530-L532 HydrophobicContact CB-CD1 4Å; K530-L532 HydrophobicContact CB-CG 4.16Å; K530-L532 PolarHBondContact O-N 3.46Å; K530-N570 PolarHBondContact NZ-OD1 3.26Å; K530-N570 VanDerWaalsContact NZ-OD1 3.1Å; K530-Y571 HydrophobicContact CD-CE1 4.23Å
531N84.7Confident84.2Confident151 Ų15170.8 Ų70.881%0.80736%0.363SS*.THydrogen-bonded Turntrans51.344.1-174.3-162.532.8000113.1A527 Q528A527-N531 WeakPolarHBondContact O-CA 3.46Å; A527-N531 PolarHBondContact O-N 3.04Å; Q528-N531 PolarHBondContact O-N 3.23Å; Q528-N531 VanDerWaalsContact O-N 3.12Å
532L82.2Confident84.1Confident70 Ų7067.2 Ų67.237%0.36634%0.338SS..  trans-116.4153.5178.6-68.1173.5000110.5A527 K530 V536 I537A527-L532 CarbonylContact C-O 3.53Å; A527-L532 WeakPolarHBondContact CB-O 3.45Å; A527-L532 PolarHBondContact O-N 3.01Å; K530-L532 VanDerWaalsContact C-N 3.27Å; K530-L532 HydrophobicContact CB-CD1 4Å; K530-L532 HydrophobicContact CB-CG 4.16Å; K530-L532 PolarHBondContact O-N 3.46Å; L532-V536 HydrophobicContact CD1-CG1 4.35Å; L532-I537 HydrophobicContact CD1-CD1 4.32Å
533P68.6Low83.9Confident57 Ų5765.8 Ų65.837%0.3733%0.331SS..  trans-62.6138168.3-20.932000111.5Y535 V536P533-Y535 VanDerWaalsContact C-N 3.3Å; P533-Y535 HydrophobicContact CB-CD1 3.82Å; P533-Y535 HydrophobicContact CB-CE1 3.34Å; P533-Y535 HydrophobicContact CG-CE1 4.22Å; P533-Y535 PolarHBondContact O-N 3.45Å; P533-Y535 VanDerWaalsContact O-N 3.15Å; P533-V536 HydrophobicContact CB-CG2 4.13Å; P533-V536 HydrophobicContact CG-CG2 4.23Å; P533-V536 VanDerWaalsContact O-CB 3.26Å; P533-V536 WeakPolarHBondContact O-CB 3.33Å; P533-V536 PolarHBondContact O-N 3.44Å
534P79.3Confident83.4Confident48 Ų4869.9 Ų69.931%0.31235%0.351SS..Hα-helixtrans-54.2-38.8-174.7-29.634.8000115.4R523 A527 V536 I537 F538R523-P534 VanDerWaalsContact CD-O 3.28Å; R523-P534 WeakPolarHBondContact CD-O 3.13Å; R523-P534 HydrophobicContact CG-CB 4.22Å; A527-P534 HydrophobicContact CB-CB 4.1Å; A527-P534 HydrophobicContact CB-CG 3.9Å; P534-V536 PolarHBondContact O-N 3.45Å; P534-V536 VanDerWaalsContact O-N 3.14Å; P534-I537 WeakPolarHBondContact O-CB 3.23Å; P534-I537 PolarHBondContact O-N 3.02Å; P534-F538 PolarHBondContact O-N 3.05Å
535Y78.3Confident83.4Confident163 Ų16368.4 Ų68.464%0.63934%0.339SS*.Hα-helixtrans-64.2-19.4179.867.5-97.4000113.5P533 I537 F538P533-Y535 VanDerWaalsContact C-N 3.3Å; P533-Y535 HydrophobicContact CB-CD1 3.82Å; P533-Y535 HydrophobicContact CB-CE1 3.34Å; P533-Y535 HydrophobicContact CG-CE1 4.22Å; P533-Y535 PolarHBondContact O-N 3.45Å; P533-Y535 VanDerWaalsContact O-N 3.15Å; Y535-I537 VanDerWaalsContact C-N 3.34Å; Y535-F538 WeakPolarHBondContact CA-O 3.39Å; Y535-F538 CarbonylContact O-C 3.56Å
536V81.4Confident83.2Confident58 Ų5863.4 Ų63.435%0.35232%0.316SS..Hα-helixtrans-69-36174.2178.20000110.5L532 P533 P534 K567L532-V536 HydrophobicContact CD1-CG1 4.35Å; P533-V536 HydrophobicContact CB-CG2 4.13Å; P533-V536 HydrophobicContact CG-CG2 4.23Å; P533-V536 VanDerWaalsContact O-CB 3.26Å; P533-V536 WeakPolarHBondContact O-CB 3.33Å; P533-V536 PolarHBondContact O-N 3.44Å; P534-V536 PolarHBondContact O-N 3.45Å; P534-V536 VanDerWaalsContact O-N 3.14Å; V536-K567 WeakPolarHBondContact O-CE 3.5Å; V536-K567 PolarHBondContact O-NZ 3.02Å
537I87.8Confident83Confident0 Ų063.5 Ų63.50%032%0.317CS..Hα-helixtrans-65.2-66.5173.1-48-60.7000108.5R523 A527 L532 P534 Y535 K567 Y571R523-I537 HydrophobicContact CG-CB 3.93Å; R523-I537 HydrophobicContact CG-CG1 4.47Å; R523-I537 HydrophobicContact CG-CG2 4.21Å; A527-I537 HydrophobicContact CB-CG1 3.89Å; L532-I537 HydrophobicContact CD1-CD1 4.32Å; P534-I537 WeakPolarHBondContact O-CB 3.23Å; P534-I537 PolarHBondContact O-N 3.02Å; Y535-I537 VanDerWaalsContact C-N 3.34Å; I537-K567 WeakPolarHBondContact O-CD 3.34Å; I537-K567 VanDerWaalsContact O-CE 3.24Å; I537-K567 WeakPolarHBondContact O-CE 3.38Å; I537-K567 PolarHBondContact O-NZ 2.98Å; I537-Y571 HydrophobicContact CD1-CE1 3.72Å; I537-Y571 HydrophobicContact CD1-CE2 4.15Å; I537-Y571 VanDerWaalsContact CD1-CZ 3.46Å; I537-Y571 VanDerWaalsContact CD1-OH 3.25Å; I537-Y571 WeakPolarHBondContact CD1-OH 3.44Å; I537-Y571 HydrophobicContact CG2-CD1 4.02Å; I537-Y571 HydrophobicContact CG2-CD2 3.91Å; I537-Y571 HydrophobicContact CG2-CE1 4.15Å; I537-Y571 HydrophobicContact CG2-CE2 4.07Å; I537-Y571 HydrophobicContact CG2-CG 3.89Å
538F87.8Confident83Confident0 Ų071 Ų710%035%0.352CS..  trans-147.1142174-69.4-56000111R523 P534 Y535 T542 L543 F557 V563 K567 Y571 F575R523-F538 WeakPolarHBondContact CD-O 3.41Å; R523-F538 PolarHBondContact NH1-O 2.89Å; P534-F538 PolarHBondContact O-N 3.05Å; Y535-F538 WeakPolarHBondContact CA-O 3.39Å; Y535-F538 CarbonylContact O-C 3.56Å; F538-T542 HydrophobicContact CB-CG2 4.17Å; F538-T542 HydrophobicContact CD1-CG2 3.62Å; F538-T542 HydrophobicContact CE1-CG2 4.33Å; F538-T542 HydrophobicContact CG-CG2 4.07Å; F538-L543 HydrophobicContact CB-CD2 3.87Å; F538-L543 HydrophobicContact CB-CG 4.34Å; F538-L543 HydrophobicContact CD2-CD2 4.34Å; F538-L543 HydrophobicContact CG-CD2 4.44Å; F538-F557 HydrophobicContact CE2-CZ 4.39Å; F538-F557 AromaticContact CZ-CE1 3.98Å; F538-F557 HydrophobicContact CZ-CE1 3.98Å; F538-F557 HydrophobicContact CZ-CZ 4.26Å; F538-V563 HydrophobicContact CD1-CG2 4.35Å; F538-V563 HydrophobicContact CE1-CB 4.44Å; F538-V563 HydrophobicContact CE1-CG1 4.48Å; F538-V563 HydrophobicContact CE1-CG2 3.74Å; F538-V563 HydrophobicContact CZ-CG2 4.4Å; F538-K567 HydrophobicContact CD1-CD 4.09Å; F538-K567 HydrophobicContact CE1-CB 3.81Å; F538-K567 HydrophobicContact CE1-CD 3.75Å; F538-K567 HydrophobicContact CE1-CG 4.37Å; F538-K567 HydrophobicContact CZ-CB 4.05Å; F538-Y571 HydrophobicContact CZ-CD2 4.42Å; F538-F575 HydrophobicContact CD2-CD2 4.16Å; F538-F575 HydrophobicContact CD2-CE1 4.3Å; F538-F575 AromaticContact CD2-CE2 3.7Å; F538-F575 HydrophobicContact CD2-CE2 3.7Å; F538-F575 AromaticContact CD2-CZ 3.79Å; F538-F575 HydrophobicContact CD2-CZ 3.79Å; F538-F575 AromaticContact CE2-CD2 3.71Å; F538-F575 HydrophobicContact CE2-CD2 3.71Å; F538-F575 AromaticContact CE2-CE2 3.65Å; F538-F575 HydrophobicContact CE2-CE2 3.65Å; F538-F575 HydrophobicContact CE2-CG 4.29Å; F538-F575 HydrophobicContact CE2-CZ 4.19Å
539S84.4Confident82.9Confident46 Ų4668.8 Ų68.832%0.32234%0.34SS..  trans-71.6157.2172.573.30000110.6K541 T542 L543S539-K541 PolarHBondContact O-N 3.14Å; S539-T542 WeakPolarHBondContact O-CA 3.47Å; S539-T542 WeakPolarHBondContact O-CB 3.3Å; S539-T542 PolarHBondContact O-N 3.35Å; S539-T542 PolarHBondContact OG-N 3.19Å; S539-T542 VanDerWaalsContact OG-N 3.16Å; S539-T542 PolarHBondContact OG-OG1 3.3Å; S539-L543 PolarHBondContact O-N 2.82Å
540D81.8Confident82.8Confident75 Ų7565.7 Ų65.740%0.40133%0.325SS..Hα-helixtrans-58-35.5174.6-71.4-9.8000111.4F516 R523 T542 L543 M544F516-D540 HydrophobicContact CE2-CB 4.49Å; F516-D540 HydrophobicContact CZ-CB 4.15Å; R523-D540 IonicContact CZ-OD1 2.81Å; R523-D540 IonicContact NH1-OD1 2.76Å; R523-D540 PolarHBondContact NH1-OD1 3.48Å; R523-D540 IonicContact NH2-OD1 3.78Å; R523-D540 PolarHBondContact NH2-OD1 3.33Å; D540-T542 VanDerWaalsContact C-N 3.29Å; D540-T542 PolarHBondContact O-N 2.89Å; D540-L543 PolarHBondContact O-N 2.55Å; D540-L543 VanDerWaalsContact O-N 3.16Å; D540-M544 WeakPolarHBondContact O-CG 3.33Å; D540-M544 PolarHBondContact O-N 2.87Å
541K76.9Confident82.7Confident150 Ų15061.2 Ų61.265%0.65231%0.306SS*.Hα-helixtrans-59.4-38.9173.6-174.6175.9-177172.90112.7S539 E545S539-K541 PolarHBondContact O-N 3.14Å; K541-E545 WeakPolarHBondContact O-CB 3.31Å; K541-E545 PolarHBondContact O-N 3.26Å
542T85.3Confident82.6Confident3 Ų357 Ų572%0.01828%0.282CS..Hα-helixtrans-69.3-40.3176.5-55.60000111F538 S539 D540 E545 L546 I560 K561 V563F538-T542 HydrophobicContact CB-CG2 4.17Å; F538-T542 HydrophobicContact CD1-CG2 3.62Å; F538-T542 HydrophobicContact CE1-CG2 4.33Å; F538-T542 HydrophobicContact CG-CG2 4.07Å; S539-T542 WeakPolarHBondContact O-CA 3.47Å; S539-T542 WeakPolarHBondContact O-CB 3.3Å; S539-T542 PolarHBondContact O-N 3.35Å; S539-T542 PolarHBondContact OG-N 3.19Å; S539-T542 VanDerWaalsContact OG-N 3.16Å; S539-T542 PolarHBondContact OG-OG1 3.3Å; D540-T542 VanDerWaalsContact C-N 3.29Å; D540-T542 PolarHBondContact O-N 2.89Å; T542-E545 PolarHBondContact O-N 3.31Å; T542-L546 HydrophobicContact CG2-CD1 4.43Å; T542-L546 WeakPolarHBondContact O-CG 3.33Å; T542-L546 PolarHBondContact O-N 2.86Å; T542-I560 HydrophobicContact CG2-CG2 3.91Å; T542-K561 PolarHBondContact OG1-O 2.93Å; T542-V563 HydrophobicContact CG2-CG2 3.82Å
543L87.8Confident82.3Confident0 Ų056.6 Ų56.60%028%0.282CS..Hα-helixtrans-66.5-40.3176-63.9-170.5000111.8F516 M519 R520 R523 F538 S539 D540 L546 A547 F575F516-L543 HydrophobicContact CD2-CB 3.82Å; F516-L543 HydrophobicContact CE2-CB 3.59Å; F516-L543 HydrophobicContact CE2-CD1 4.47Å; M519-L543 HydrophobicContact CB-CD1 4.24Å; M519-L543 HydrophobicContact CB-CD2 4.15Å; M519-L543 WeakPolarHBondContact CE-O 3.06Å; M519-L543 HydrophobicContact SD-CD2 4.26Å; R520-L543 HydrophobicContact CG-CD1 3.84Å; R523-L543 HydrophobicContact CB-CD1 4.4Å; F538-L543 HydrophobicContact CB-CD2 3.87Å; F538-L543 HydrophobicContact CB-CG 4.34Å; F538-L543 HydrophobicContact CD2-CD2 4.34Å; F538-L543 HydrophobicContact CG-CD2 4.44Å; S539-L543 PolarHBondContact O-N 2.82Å; D540-L543 PolarHBondContact O-N 2.55Å; D540-L543 VanDerWaalsContact O-N 3.16Å; L543-L546 HydrophobicContact CD2-CD1 4.18Å; L543-L546 WeakPolarHBondContact O-CB 3.48Å; L543-L546 PolarHBondContact O-N 3.45Å; L543-A547 PolarHBondContact O-N 3.35Å; L543-F575 HydrophobicContact CD2-CD1 4.34Å; L543-F575 HydrophobicContact CD2-CE1 3.58Å; L543-F575 HydrophobicContact CD2-CZ 4.17Å
544M80.8Confident82.7Confident100 Ų10057.2 Ų57.249%0.49329%0.288SS..Hα-helixtrans-61.1-44.4173.5-73.3176.6169.400111.4F516 D540 L546 A547 E548F516-M544 HydrophobicContact CD2-CG 3.89Å; F516-M544 HydrophobicContact CE2-CE 4.32Å; F516-M544 HydrophobicContact CE2-CG 3.55Å; F516-M544 HydrophobicContact CZ-CE 4.09Å; F516-M544 HydrophobicContact CZ-CG 4.24Å; D540-M544 WeakPolarHBondContact O-CG 3.33Å; D540-M544 PolarHBondContact O-N 2.87Å; M544-L546 VanDerWaalsContact C-N 3.29Å; M544-L546 PolarHBondContact O-N 3.25Å; M544-A547 PolarHBondContact O-N 2.8Å; M544-E548 WeakPolarHBondContact O-CB 3.42Å; M544-E548 PolarHBondContact O-N 2.84Å
545E82.9Confident82.2Confident19 Ų1961.4 Ų61.49%0.08931%0.307CS..Hα-helixtrans-67.6-30.2177.3-169.1174.7178.900112.2K541 T542 K549 I560 K561K541-E545 WeakPolarHBondContact O-CB 3.31Å; K541-E545 PolarHBondContact O-N 3.26Å; T542-E545 PolarHBondContact O-N 3.31Å; E545-K549 HydrophobicContact CG-CD 3.96Å; E545-K549 HydrophobicContact CG-CG 4.46Å; E545-K549 WeakPolarHBondContact O-CB 3.37Å; E545-K549 PolarHBondContact O-N 3.26Å; E545-K549 WeakPolarHBondContact OE1-CE 3.46Å; E545-K549 IonicContact OE1-NZ 2.69Å; E545-K549 PolarHBondContact OE1-NZ 3.2Å; E545-I560 HydrophobicContact CB-CG2 3.99Å; E545-I560 HydrophobicContact CG-CD1 4.13Å; E545-I560 HydrophobicContact CG-CG2 3.97Å; E545-K561 VanDerWaalsContact OE2-CB 3.23Å; E545-K561 WeakPolarHBondContact OE2-CB 3.4Å; E545-K561 WeakPolarHBondContact OE2-CG 3.49Å; E545-K561 PolarHBondContact OE2-N 3.42Å; E545-K561 VanDerWaalsContact OE2-N 3.12Å
546L86.4Confident81.9Confident0 Ų057.8 Ų57.80%030%0.296CS..Hα-helixtrans-68.2-42.1170.9-77170.1000112.3M519 T542 L543 M544 E548 Q550 P551 F557 I560 F575 L579M519-L546 HydrophobicContact CE-CB 3.98Å; M519-L546 HydrophobicContact SD-CB 3.65Å; M519-L546 HydrophobicContact SD-CD1 4.11Å; T542-L546 HydrophobicContact CG2-CD1 4.43Å; T542-L546 WeakPolarHBondContact O-CG 3.33Å; T542-L546 PolarHBondContact O-N 2.86Å; L543-L546 HydrophobicContact CD2-CD1 4.18Å; L543-L546 WeakPolarHBondContact O-CB 3.48Å; L543-L546 PolarHBondContact O-N 3.45Å; M544-L546 VanDerWaalsContact C-N 3.29Å; M544-L546 PolarHBondContact O-N 3.25Å; L546-E548 VanDerWaalsContact C-N 3.31Å; L546-Q550 VanDerWaalsContact O-CA 3.3Å; L546-Q550 WeakPolarHBondContact O-CA 3.47Å; L546-Q550 PolarHBondContact O-N 3.39Å; L546-P551 HydrophobicContact CD2-CG 3.66Å; L546-F557 HydrophobicContact CD1-CE2 3.98Å; L546-F557 HydrophobicContact CD1-CZ 3.76Å; L546-F557 HydrophobicContact CD2-CD2 3.64Å; L546-F557 HydrophobicContact CD2-CE1 4.46Å; L546-F557 HydrophobicContact CD2-CE2 3.25Å; L546-F557 HydrophobicContact CD2-CG 4.39Å; L546-F557 HydrophobicContact CD2-CZ 3.71Å; L546-F557 HydrophobicContact CG-CE2 4.28Å; L546-F557 HydrophobicContact CG-CZ 4.4Å; L546-I560 HydrophobicContact CD2-CB 4.46Å; L546-I560 HydrophobicContact CD2-CD1 4.31Å; L546-I560 HydrophobicContact CD2-CG1 3.77Å; L546-I560 HydrophobicContact CD2-CG2 4.31Å; L546-I560 HydrophobicContact CG-CG1 4.5Å; L546-I560 HydrophobicContact CG-CG2 4.16Å; L546-F575 HydrophobicContact CD1-CD1 4.28Å; L546-L579 HydrophobicContact CD2-CD1 4.32Å
547A84.9Confident81.7Confident7 Ų755 Ų556%0.05828%0.279CS..Hα-helixtrans-64.2-39.1176.300000111L515 M519 L543 M544 Q550L515-A547 HydrophobicContact CD2-CB 4.27Å; M519-A547 HydrophobicContact CE-CB 3.56Å; L543-A547 PolarHBondContact O-N 3.35Å; M544-A547 PolarHBondContact O-N 2.8Å; A547-Q550 WeakPolarHBondContact O-CG 3.31Å
548E83.2Confident81.2Confident159 Ų15958.4 Ų58.474%0.74330%0.297SS*.Hα-helixtrans-72.3-45.1-179.9-173.9-176.8-174.200112.7M544 L546M544-E548 WeakPolarHBondContact O-CB 3.42Å; M544-E548 PolarHBondContact O-N 2.84Å; L546-E548 VanDerWaalsContact C-N 3.31Å
549K83.3Confident80.7Confident115 Ų11565.2 Ų65.250%0.533%0.328SS..Hα-helixtrans-92.8-19.3-173.6-70.2-178.2173.9173.30114.6E545 I560E545-K549 HydrophobicContact CG-CD 3.96Å; E545-K549 HydrophobicContact CG-CG 4.46Å; E545-K549 WeakPolarHBondContact O-CB 3.37Å; E545-K549 PolarHBondContact O-N 3.26Å; E545-K549 WeakPolarHBondContact OE1-CE 3.46Å; E545-K549 IonicContact OE1-NZ 2.69Å; E545-K549 PolarHBondContact OE1-NZ 3.2Å; K549-I560 HydrophobicContact CB-CD1 3.93Å; K549-I560 HydrophobicContact CD-CD1 3.61Å; K549-I560 HydrophobicContact CG-CD1 4.34Å
550Q86.8Confident80.6Confident61 Ų6163.2 Ų63.229%0.28531%0.314SS..  trans36.759.5-179-56.7-169.8-10.400114.3L515 L546 A547 Q552 L579L515-Q550 HydrophobicContact CD2-CG 4.15Å; L515-Q550 VanDerWaalsContact CD2-NE2 3.31Å; L546-Q550 VanDerWaalsContact O-CA 3.3Å; L546-Q550 WeakPolarHBondContact O-CA 3.47Å; L546-Q550 PolarHBondContact O-N 3.39Å; A547-Q550 WeakPolarHBondContact O-CG 3.31Å; Q550-Q552 PolarHBondContact O-N 3.17Å; Q550-Q552 PolarHBondContact O-NE2 3.44Å; Q550-L579 HydrophobicContact CB-CD2 4.39Å; Q550-L579 HydrophobicContact CG-CD2 4.3Å
551P82.1Confident80.3Confident4 Ų466.7 Ų66.73%0.02633%0.326CS..  trans-58.6138.1-17726.1-36.6000111.9L546 E556 F557 I560 L576 L579L546-P551 HydrophobicContact CD2-CG 3.66Å; P551-E556 HydrophobicContact CB-CB 3.53Å; P551-F557 HydrophobicContact CB-CB 4.28Å; P551-F557 HydrophobicContact CB-CD2 4.5Å; P551-F557 HydrophobicContact CG-CB 4.24Å; P551-F557 HydrophobicContact CG-CD2 3.66Å; P551-F557 HydrophobicContact CG-CE2 4.46Å; P551-F557 HydrophobicContact CG-CG 4.31Å; P551-I560 HydrophobicContact CG-CD1 4.38Å; P551-I560 HydrophobicContact CG-CG1 4.32Å; P551-L576 WeakPolarHBondContact O-CD2 3.31Å; P551-L579 HydrophobicContact CG-CD1 3.95Å
552Q82.4Confident80.4Confident63 Ų6361.9 Ų61.929%0.29432%0.319SS..  trans-102.9-17.7-176.9-61.6-57-48.500112.9Q550 E556 N583Q550-Q552 PolarHBondContact O-N 3.17Å; Q550-Q552 PolarHBondContact O-NE2 3.44Å; Q552-E556 PolarHBondContact N-OE2 3.43Å; Q552-N583 PolarHBondContact NE2-ND2 3.06Å
553T75.7Confident80.3Confident61 Ų6162.3 Ų62.337%0.37432%0.322SS..SBendtrans-123.6155.5-178.469.70000111.8L555 E556 F557T553-L555 PolarHBondContact O-N 3.34Å; T553-E556 PolarHBondContact N-OE2 3.03Å; T553-E556 PolarHBondContact O-N 2.98Å; T553-E556 VanDerWaalsContact O-N 3.16Å; T553-E556 VanDerWaalsContact OG1-CD 3.27Å; T553-E556 WeakPolarHBondContact OG1-CG 3.44Å; T553-E556 PolarHBondContact OG1-N 3.13Å; T553-E556 PolarHBondContact OG1-OE1 2.79Å; T553-F557 PolarHBondContact O-N 3.45Å
554S77.5Confident79.6Confident69 Ų6964.1 Ų64.148%0.48334%0.34SS..Hα-helixtrans-60.4-29.4176.4-51.30000112.9L558S554-L558 PolarHBondContact O-N 3.16Å; S554-L558 VanDerWaalsContact O-N 3.16Å
555L69.5Low79.4Confident136 Ų13666.7 Ų66.771%0.71235%0.349SS*.Hα-helixtrans-68.1-43.7175.6-76170.2000111.7T553 L558T553-L555 PolarHBondContact O-N 3.34Å; L555-L558 PolarHBondContact O-N 2.84Å
556E71.2Confident79.3Confident88 Ų8869.7 Ų69.741%0.41137%0.372SS..Hα-helixtrans-66.9-40.4175.3-71.5159.5-147.400111.6P551 Q552 T553 L558 Q559P551-E556 HydrophobicContact CB-CB 3.53Å; Q552-E556 PolarHBondContact N-OE2 3.43Å; T553-E556 PolarHBondContact N-OE2 3.03Å; T553-E556 PolarHBondContact O-N 2.98Å; T553-E556 VanDerWaalsContact O-N 3.16Å; T553-E556 VanDerWaalsContact OG1-CD 3.27Å; T553-E556 WeakPolarHBondContact OG1-CG 3.44Å; T553-E556 PolarHBondContact OG1-N 3.13Å; T553-E556 PolarHBondContact OG1-OE1 2.79Å; E556-L558 PolarHBondContact O-N 3.09Å; E556-Q559 WeakPolarHBondContact O-CB 3.45Å; E556-Q559 PolarHBondContact O-N 3.37Å
557F78.2Confident79.1Confident0 Ų072.3 Ų72.30%038%0.383CS..Hα-helixtrans-61.2-34.6177.8-160.2-83000111.8F538 L546 P551 T553 Q559 I560 V563 L568 F575 L576 L579F538-F557 HydrophobicContact CE2-CZ 4.39Å; F538-F557 AromaticContact CZ-CE1 3.98Å; F538-F557 HydrophobicContact CZ-CE1 3.98Å; F538-F557 HydrophobicContact CZ-CZ 4.26Å; L546-F557 HydrophobicContact CD1-CE2 3.98Å; L546-F557 HydrophobicContact CD1-CZ 3.76Å; L546-F557 HydrophobicContact CD2-CD2 3.64Å; L546-F557 HydrophobicContact CD2-CE1 4.46Å; L546-F557 HydrophobicContact CD2-CE2 3.25Å; L546-F557 HydrophobicContact CD2-CG 4.39Å; L546-F557 HydrophobicContact CD2-CZ 3.71Å; L546-F557 HydrophobicContact CG-CE2 4.28Å; L546-F557 HydrophobicContact CG-CZ 4.4Å; P551-F557 HydrophobicContact CB-CB 4.28Å; P551-F557 HydrophobicContact CB-CD2 4.5Å; P551-F557 HydrophobicContact CG-CB 4.24Å; P551-F557 HydrophobicContact CG-CD2 3.66Å; P551-F557 HydrophobicContact CG-CE2 4.46Å; P551-F557 HydrophobicContact CG-CG 4.31Å; T553-F557 PolarHBondContact O-N 3.45Å; F557-Q559 PolarHBondContact O-N 3.12Å; F557-I560 WeakPolarHBondContact O-CB 3.3Å; F557-I560 WeakPolarHBondContact O-CG1 3.46Å; F557-I560 PolarHBondContact O-N 3.36Å; F557-V563 HydrophobicContact CD1-CG1 3.67Å; F557-V563 HydrophobicContact CD1-CG2 4.24Å; F557-V563 HydrophobicContact CE1-CG1 3.79Å; F557-V563 HydrophobicContact CE1-CG2 3.92Å; F557-L568 HydrophobicContact CB-CD1 3.91Å; F557-L568 HydrophobicContact CD1-CD1 3.54Å; F557-L568 HydrophobicContact CE1-CD1 4.42Å; F557-L568 HydrophobicContact CG-CD1 4Å; F557-F575 HydrophobicContact CE2-CB 3.67Å; F557-F575 HydrophobicContact CZ-CB 3.66Å; F557-F575 HydrophobicContact CZ-CG 4.32Å; F557-L576 HydrophobicContact CB-CD1 4.45Å; F557-L576 HydrophobicContact CB-CD2 4.25Å; F557-L576 HydrophobicContact CB-CG 4.5Å; F557-L576 HydrophobicContact CD2-CD1 4.48Å; F557-L576 HydrophobicContact CD2-CD2 3.69Å; F557-L576 HydrophobicContact CD2-CG 3.74Å; F557-L576 HydrophobicContact CE2-CG 4.31Å; F557-L576 HydrophobicContact CG-CD2 4.35Å; F557-L576 HydrophobicContact CG-CG 4.3Å; F557-L579 HydrophobicContact CE2-CD1 4.3Å
558L76Confident78.8Confident70 Ų7073.2 Ų73.237%0.36639%0.387SS..THydrogen-bonded Turntrans-68.9-18.7174.8-158.283.5000113.3S554 L555 E556 I560 L568S554-L558 PolarHBondContact O-N 3.16Å; S554-L558 VanDerWaalsContact O-N 3.16Å; L555-L558 PolarHBondContact O-N 2.84Å; E556-L558 PolarHBondContact O-N 3.09Å; L558-I560 VanDerWaalsContact C-N 3.27Å; L558-I560 PolarHBondContact O-N 2.93Å; L558-L568 HydrophobicContact CB-CD2 4.4Å; L558-L568 HydrophobicContact CD1-CB 4.17Å; L558-L568 HydrophobicContact CD1-CD2 3.71Å
559Q77.9Confident78.6Confident143 Ų14371 Ų7167%0.66838%0.38SS*.THydrogen-bonded Turntrans-79.8-8.4177.2-60.6-61-36.200113.2E556 F557E556-Q559 WeakPolarHBondContact O-CB 3.45Å; E556-Q559 PolarHBondContact O-N 3.37Å; F557-Q559 PolarHBondContact O-N 3.12Å
560I81.9Confident78.8Confident5 Ų569.1 Ų69.13%0.02638%0.376CS..SBendtrans-76.7133.8-179.8-54.2-65.3000110T542 E545 L546 K549 P551 F557 L558 G562 V563T542-I560 HydrophobicContact CG2-CG2 3.91Å; E545-I560 HydrophobicContact CB-CG2 3.99Å; E545-I560 HydrophobicContact CG-CD1 4.13Å; E545-I560 HydrophobicContact CG-CG2 3.97Å; L546-I560 HydrophobicContact CD2-CB 4.46Å; L546-I560 HydrophobicContact CD2-CD1 4.31Å; L546-I560 HydrophobicContact CD2-CG1 3.77Å; L546-I560 HydrophobicContact CD2-CG2 4.31Å; L546-I560 HydrophobicContact CG-CG1 4.5Å; L546-I560 HydrophobicContact CG-CG2 4.16Å; K549-I560 HydrophobicContact CB-CD1 3.93Å; K549-I560 HydrophobicContact CD-CD1 3.61Å; K549-I560 HydrophobicContact CG-CD1 4.34Å; P551-I560 HydrophobicContact CG-CD1 4.38Å; P551-I560 HydrophobicContact CG-CG1 4.32Å; F557-I560 WeakPolarHBondContact O-CB 3.3Å; F557-I560 WeakPolarHBondContact O-CG1 3.46Å; F557-I560 PolarHBondContact O-N 3.36Å; L558-I560 VanDerWaalsContact C-N 3.27Å; L558-I560 PolarHBondContact O-N 2.93Å; I560-G562 PolarHBondContact O-N 2.85Å; I560-V563 HydrophobicContact CB-CB 4.43Å; I560-V563 HydrophobicContact CB-CG2 3.75Å; I560-V563 HydrophobicContact CG2-CG2 4.02Å; I560-V563 WeakPolarHBondContact O-CB 3.11Å; I560-V563 PolarHBondContact O-N 3.36Å; I560-V563 VanDerWaalsContact O-N 3.08Å
561K76Confident79Confident147 Ų14767.1 Ų67.164%0.63937%0.366SS*.THydrogen-bonded Turntrans-66125.6-177.5-62.7174.6179.9170.40110.6T542 E545T542-K561 PolarHBondContact OG1-O 2.93Å; E545-K561 VanDerWaalsContact OE2-CB 3.23Å; E545-K561 WeakPolarHBondContact OE2-CB 3.4Å; E545-K561 WeakPolarHBondContact OE2-CG 3.49Å; E545-K561 PolarHBondContact OE2-N 3.42Å; E545-K561 VanDerWaalsContact OE2-N 3.12Å
562G79.3Confident79.1Confident50 Ų5067 Ų6752%0.51537%0.365SS..THydrogen-bonded Turntrans95.3-2.6-177.700000114.4I560 K567I560-G562 PolarHBondContact O-N 2.85Å; G562-K567 WeakPolarHBondContact O-CD 3.3Å
563V82.8Confident79.4Confident12 Ų1272 Ų727%0.07339%0.388CS..  trans-94106.7170.2-175.40000109.5F538 T542 F557 I560 L568F538-V563 HydrophobicContact CD1-CG2 4.35Å; F538-V563 HydrophobicContact CE1-CB 4.44Å; F538-V563 HydrophobicContact CE1-CG1 4.48Å; F538-V563 HydrophobicContact CE1-CG2 3.74Å; F538-V563 HydrophobicContact CZ-CG2 4.4Å; T542-V563 HydrophobicContact CG2-CG2 3.82Å; F557-V563 HydrophobicContact CD1-CG1 3.67Å; F557-V563 HydrophobicContact CD1-CG2 4.24Å; F557-V563 HydrophobicContact CE1-CG1 3.79Å; F557-V563 HydrophobicContact CE1-CG2 3.92Å; I560-V563 HydrophobicContact CB-CB 4.43Å; I560-V563 HydrophobicContact CB-CG2 3.75Å; I560-V563 HydrophobicContact CG2-CG2 4.02Å; I560-V563 WeakPolarHBondContact O-CB 3.11Å; I560-V563 PolarHBondContact O-N 3.36Å; I560-V563 VanDerWaalsContact O-N 3.08Å; V563-L568 HydrophobicContact CG1-CB 4.24Å
564G73.1Confident80.2Confident38 Ų3873 Ų7339%0.39239%0.388SS..  trans-95.7168.2166.700000111.5S566 K567 L568G564-S566 VanDerWaalsContact C-N 3.29Å; G564-S566 PolarHBondContact O-N 3.41Å; G564-K567 PolarHBondContact O-N 3.36Å; G564-L568 PolarHBondContact O-N 3.36Å
565K76.8Confident80.8Confident154 Ų15469.7 Ų69.767%0.6737%0.365SS*.Hα-helixtrans-51.1-45.8179.8-169.2176.1-179.4-179.30113.1K567 L568 D569K565-K567 VanDerWaalsContact C-N 3.31Å; K565-K567 PolarHBondContact O-N 3.42Å; K565-L568 WeakPolarHBondContact O-CB 3.48Å; K565-L568 PolarHBondContact O-N 3.31Å; K565-D569 PolarHBondContact O-N 2.9Å
566S79.7Confident81.7Confident81 Ų8163.9 Ų63.957%0.56634%0.335SS*.Hα-helixtrans-59.3-38.2176.8176.20000113.3G564 N570G564-S566 VanDerWaalsContact C-N 3.29Å; G564-S566 PolarHBondContact O-N 3.41Å; S566-N570 VanDerWaalsContact O-CB 3.31Å; S566-N570 WeakPolarHBondContact O-CB 3.32Å; S566-N570 PolarHBondContact O-N 3.46Å; S566-N570 PolarHBondContact O-ND2 3.33Å; S566-N570 PolarHBondContact OG-ND2 3.26Å
567K83.2Confident82.5Confident55 Ų5562 Ų6224%0.23934%0.335CS..Hα-helixtrans-74.3-36.8178-69.5-172.3170.9-161.30112V536 I537 F538 G562 G564 K565 N570 Y571 G572V536-K567 WeakPolarHBondContact O-CE 3.5Å; V536-K567 PolarHBondContact O-NZ 3.02Å; I537-K567 WeakPolarHBondContact O-CD 3.34Å; I537-K567 VanDerWaalsContact O-CE 3.24Å; I537-K567 WeakPolarHBondContact O-CE 3.38Å; I537-K567 PolarHBondContact O-NZ 2.98Å; F538-K567 HydrophobicContact CD1-CD 4.09Å; F538-K567 HydrophobicContact CE1-CB 3.81Å; F538-K567 HydrophobicContact CE1-CD 3.75Å; F538-K567 HydrophobicContact CE1-CG 4.37Å; F538-K567 HydrophobicContact CZ-CB 4.05Å; G562-K567 WeakPolarHBondContact O-CD 3.3Å; G564-K567 PolarHBondContact O-N 3.36Å; K565-K567 VanDerWaalsContact C-N 3.31Å; K565-K567 PolarHBondContact O-N 3.42Å; K567-N570 PolarHBondContact O-N 3Å; K567-Y571 HydrophobicContact CB-CD2 4.2Å; K567-Y571 HydrophobicContact CG-CD2 4.46Å; K567-Y571 HydrophobicContact CG-CE2 4.46Å; K567-Y571 WeakPolarHBondContact O-CB 3.26Å; K567-Y571 WeakPolarHBondContact O-CD2 3.41Å; K567-Y571 PolarHBondContact O-N 3.49Å; K567-G572 PolarHBondContact O-N 3.36Å
568L77.4Confident83Confident26 Ų2663.3 Ų63.314%0.13634%0.342CS..Iπ-helixtrans-60.2-47.6171.8178.371.8000110.6F557 L558 V563 G564 K565 N570 G572F557-L568 HydrophobicContact CB-CD1 3.91Å; F557-L568 HydrophobicContact CD1-CD1 3.54Å; F557-L568 HydrophobicContact CE1-CD1 4.42Å; F557-L568 HydrophobicContact CG-CD1 4Å; L558-L568 HydrophobicContact CB-CD2 4.4Å; L558-L568 HydrophobicContact CD1-CB 4.17Å; L558-L568 HydrophobicContact CD1-CD2 3.71Å; V563-L568 HydrophobicContact CG1-CB 4.24Å; G564-L568 PolarHBondContact O-N 3.36Å; K565-L568 WeakPolarHBondContact O-CB 3.48Å; K565-L568 PolarHBondContact O-N 3.31Å; L568-N570 VanDerWaalsContact C-N 3.31Å; L568-N570 PolarHBondContact O-N 2.98Å; L568-G572 WeakPolarHBondContact O-CA 3.49Å; L568-G572 PolarHBondContact O-N 3.04Å
569D80Confident83.5Confident114 Ų11460 Ų6061%0.6133%0.325SS*.Iπ-helixtrans-65.6-35-179.3-63.5-19.4000112K565K565-D569 PolarHBondContact O-N 2.9Å
570N87.4Confident83.7Confident75 Ų7559 Ų5940%0.40132%0.318SS..Iπ-helixtrans-84.9-32.3-177.7-81.6-68.1000114.7K530 S566 K567 L568K530-N570 PolarHBondContact NZ-OD1 3.26Å; K530-N570 VanDerWaalsContact NZ-OD1 3.1Å; S566-N570 VanDerWaalsContact O-CB 3.31Å; S566-N570 WeakPolarHBondContact O-CB 3.32Å; S566-N570 PolarHBondContact O-N 3.46Å; S566-N570 PolarHBondContact O-ND2 3.33Å; S566-N570 PolarHBondContact OG-ND2 3.26Å; K567-N570 PolarHBondContact O-N 3Å; L568-N570 VanDerWaalsContact C-N 3.31Å; L568-N570 PolarHBondContact O-N 2.98Å
571Y90.4Very high83.2Confident19 Ų1967.3 Ų67.38%0.07535%0.354CS..Iπ-helixtrans-135.1-16.6-167.1-46.8-64.4000113.4L526 K530 I537 F538 K567 E573 Q574 F575L526-Y571 HydrophobicContact CD1-CD1 4.22Å; K530-Y571 HydrophobicContact CD-CE1 4.23Å; I537-Y571 HydrophobicContact CD1-CE1 3.72Å; I537-Y571 HydrophobicContact CD1-CE2 4.15Å; I537-Y571 VanDerWaalsContact CD1-CZ 3.46Å; I537-Y571 VanDerWaalsContact CD1-OH 3.25Å; I537-Y571 WeakPolarHBondContact CD1-OH 3.44Å; I537-Y571 HydrophobicContact CG2-CD1 4.02Å; I537-Y571 HydrophobicContact CG2-CD2 3.91Å; I537-Y571 HydrophobicContact CG2-CE1 4.15Å; I537-Y571 HydrophobicContact CG2-CE2 4.07Å; I537-Y571 HydrophobicContact CG2-CG 3.89Å; F538-Y571 HydrophobicContact CZ-CD2 4.42Å; K567-Y571 HydrophobicContact CB-CD2 4.2Å; K567-Y571 HydrophobicContact CG-CD2 4.46Å; K567-Y571 HydrophobicContact CG-CE2 4.46Å; K567-Y571 WeakPolarHBondContact O-CB 3.26Å; K567-Y571 WeakPolarHBondContact O-CD2 3.41Å; K567-Y571 PolarHBondContact O-N 3.49Å; Y571-E573 VanDerWaalsContact C-N 3.33Å; Y571-E573 PolarHBondContact O-N 3.1Å; Y571-Q574 PolarHBondContact O-N 3Å; Y571-F575 WeakPolarHBondContact O-CD2 3.03Å; Y571-F575 PolarHBondContact O-N 2.92Å
572G84.8Confident82.4Confident1 Ų164.4 Ų64.41%0.0134%0.342CS..Iπ-helixtrans-59.4-40.3-17200000113.4K567 L568 Q574 F575 L576K567-G572 PolarHBondContact O-N 3.36Å; L568-G572 WeakPolarHBondContact O-CA 3.49Å; L568-G572 PolarHBondContact O-N 3.04Å; G572-Q574 VanDerWaalsContact C-N 3.34Å; G572-Q574 PolarHBondContact O-N 3.2Å; G572-F575 PolarHBondContact O-N 3.34Å; G572-L576 VanDerWaalsContact O-CB 3.23Å; G572-L576 WeakPolarHBondContact O-CB 3.37Å; G572-L576 VanDerWaalsContact O-CG 3.25Å; G572-L576 WeakPolarHBondContact O-CG 3.22Å; G572-L576 PolarHBondContact O-N 2.99Å
573E88.3Confident80.9Confident168 Ų16868.7 Ų68.779%0.78535%0.354SS*.Hα-helixtrans-60.9-42179.6-169.1-180179.100112.3Y571 A577Y571-E573 VanDerWaalsContact C-N 3.33Å; Y571-E573 PolarHBondContact O-N 3.1Å; E573-A577 VanDerWaalsContact O-CB 3.23Å; E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 3.3Å
574Q91.9Very high80.8Confident81 Ų8171.6 Ų71.638%0.37937%0.368SS..Hα-helixtrans-70.7-42.2-178.4-67.1166.7-29.800111.9L522 L526 Y571 G572 A577 L578L522-Q574 HydrophobicContact CD2-CB 4.28Å; L526-Q574 VanDerWaalsContact CD2-CD 3.49Å; Y571-Q574 PolarHBondContact O-N 3Å; G572-Q574 VanDerWaalsContact C-N 3.34Å; G572-Q574 PolarHBondContact O-N 3.2Å; Q574-A577 PolarHBondContact O-N 2.92Å; Q574-L578 PolarHBondContact O-N 3.4Å
575F92.1Very high81.2Confident0 Ų073.3 Ų73.30%037%0.367CS..Hα-helixtrans-70.7-38.6176.2-80.5-92.1000112M519 L522 R523 L526 F538 L543 L546 F557 Y571 G572 A577 L578 L579M519-F575 HydrophobicContact CB-CD1 4.49Å; M519-F575 HydrophobicContact CB-CE1 4.05Å; M519-F575 HydrophobicContact CG-CD1 3.93Å; M519-F575 HydrophobicContact CG-CE1 3.99Å; M519-F575 HydrophobicContact SD-CD1 4.01Å; M519-F575 HydrophobicContact SD-CE1 4.34Å; L522-F575 HydrophobicContact CD2-CD1 4.1Å; L522-F575 HydrophobicContact CD2-CD2 4.06Å; L522-F575 HydrophobicContact CD2-CE1 4.17Å; L522-F575 HydrophobicContact CD2-CE2 4.16Å; L522-F575 HydrophobicContact CD2-CG 4.03Å; L522-F575 HydrophobicContact CD2-CZ 4.2Å; L522-F575 HydrophobicContact CG-CE2 4.28Å; L522-F575 HydrophobicContact CG-CZ 4.21Å; R523-F575 HydrophobicContact CB-CZ 4Å; L526-F575 HydrophobicContact CD1-CD2 4.41Å; L526-F575 HydrophobicContact CD1-CE2 3.72Å; F538-F575 HydrophobicContact CD2-CD2 4.16Å; F538-F575 HydrophobicContact CD2-CE1 4.3Å; F538-F575 AromaticContact CD2-CE2 3.7Å; F538-F575 HydrophobicContact CD2-CE2 3.7Å; F538-F575 AromaticContact CD2-CZ 3.79Å; F538-F575 HydrophobicContact CD2-CZ 3.79Å; F538-F575 AromaticContact CE2-CD2 3.71Å; F538-F575 HydrophobicContact CE2-CD2 3.71Å; F538-F575 AromaticContact CE2-CE2 3.65Å; F538-F575 HydrophobicContact CE2-CE2 3.65Å; F538-F575 HydrophobicContact CE2-CG 4.29Å; F538-F575 HydrophobicContact CE2-CZ 4.19Å; L543-F575 HydrophobicContact CD2-CD1 4.34Å; L543-F575 HydrophobicContact CD2-CE1 3.58Å; L543-F575 HydrophobicContact CD2-CZ 4.17Å; L546-F575 HydrophobicContact CD1-CD1 4.28Å; F557-F575 HydrophobicContact CE2-CB 3.67Å; F557-F575 HydrophobicContact CZ-CB 3.66Å; F557-F575 HydrophobicContact CZ-CG 4.32Å; Y571-F575 WeakPolarHBondContact O-CD2 3.03Å; Y571-F575 PolarHBondContact O-N 2.92Å; G572-F575 PolarHBondContact O-N 3.34Å; F575-A577 VanDerWaalsContact C-N 3.32Å; F575-A577 PolarHBondContact O-N 2.6Å; F575-L578 WeakPolarHBondContact O-CB 3.32Å; F575-L578 PolarHBondContact O-N 3.37Å; F575-L579 VanDerWaalsContact O-CG 3.32Å; F575-L579 WeakPolarHBondContact O-CG 3.31Å; F575-L579 PolarHBondContact O-N 2.88Å
576L86.8Confident81.5Confident14 Ų1468.8 Ų68.87%0.07335%0.35CS..Hα-helixtrans-64.5-37173-76.3169.4000111.9P551 F557 G572 L578 L579 K580P551-L576 WeakPolarHBondContact O-CD2 3.31Å; F557-L576 HydrophobicContact CB-CD1 4.45Å; F557-L576 HydrophobicContact CB-CD2 4.25Å; F557-L576 HydrophobicContact CB-CG 4.5Å; F557-L576 HydrophobicContact CD2-CD1 4.48Å; F557-L576 HydrophobicContact CD2-CD2 3.69Å; F557-L576 HydrophobicContact CD2-CG 3.74Å; F557-L576 HydrophobicContact CE2-CG 4.31Å; F557-L576 HydrophobicContact CG-CD2 4.35Å; F557-L576 HydrophobicContact CG-CG 4.3Å; G572-L576 VanDerWaalsContact O-CB 3.23Å; G572-L576 WeakPolarHBondContact O-CB 3.37Å; G572-L576 VanDerWaalsContact O-CG 3.25Å; G572-L576 WeakPolarHBondContact O-CG 3.22Å; G572-L576 PolarHBondContact O-N 2.99Å; L576-L578 VanDerWaalsContact C-N 3.33Å; L576-L579 PolarHBondContact O-N 3.32Å; L576-K580 WeakPolarHBondContact O-CB 3.43Å; L576-K580 VanDerWaalsContact O-CG 3.31Å; L576-K580 WeakPolarHBondContact O-CG 3.31Å; L576-K580 PolarHBondContact O-N 3.18Å
577A89Confident81.6Confident50 Ų5068.1 Ų68.141%0.41334%0.337SS..Hα-helixtrans-66.1-36.217500000112.1E573 Q574 F575 K581E573-A577 VanDerWaalsContact O-CB 3.23Å; E573-A577 WeakPolarHBondContact O-CB 3.34Å; E573-A577 PolarHBondContact O-N 3.3Å; Q574-A577 PolarHBondContact O-N 2.92Å; F575-A577 VanDerWaalsContact C-N 3.32Å; F575-A577 PolarHBondContact O-N 2.6Å; A577-K581 PolarHBondContact O-N 3.3Å
578L88.4Confident81.5Confident27 Ų2768.9 Ų68.914%0.14134%0.343CS..Hα-helixtrans-65-49.7173-172.369.4000111E518 M519 L522 Q574 F575 L576 K580 K581E518-L578 HydrophobicContact CB-CD1 4.38Å; E518-L578 HydrophobicContact CB-CD2 4.15Å; E518-L578 WeakPolarHBondContact OE2-CD1 3.38Å; M519-L578 HydrophobicContact CB-CD2 4.36Å; M519-L578 HydrophobicContact CG-CD2 3.6Å; L522-L578 HydrophobicContact CB-CD2 4.39Å; L522-L578 HydrophobicContact CD2-CB 4.2Å; L522-L578 HydrophobicContact CD2-CD2 3.97Å; Q574-L578 PolarHBondContact O-N 3.4Å; F575-L578 WeakPolarHBondContact O-CB 3.32Å; F575-L578 PolarHBondContact O-N 3.37Å; L576-L578 VanDerWaalsContact C-N 3.33Å; L578-K580 PolarHBondContact O-N 2.64Å; L578-K581 PolarHBondContact O-N 2.95Å
579L86.4Confident81.7Confident1 Ų171.8 Ų71.81%0.00536%0.357CS..Hα-helixtrans-61.1-29.7179-70168.5000113.4L515 M519 L546 Q550 P551 F557 F575 L576L515-L579 HydrophobicContact CD1-CD2 4.12Å; L515-L579 HydrophobicContact CD2-CD2 3.86Å; L515-L579 HydrophobicContact CG-CD2 4.4Å; M519-L579 HydrophobicContact CE-CD2 4.44Å; L546-L579 HydrophobicContact CD2-CD1 4.32Å; Q550-L579 HydrophobicContact CB-CD2 4.39Å; Q550-L579 HydrophobicContact CG-CD2 4.3Å; P551-L579 HydrophobicContact CG-CD1 3.95Å; F557-L579 HydrophobicContact CE2-CD1 4.3Å; F575-L579 VanDerWaalsContact O-CG 3.32Å; F575-L579 WeakPolarHBondContact O-CG 3.31Å; F575-L579 PolarHBondContact O-N 2.88Å; L576-L579 PolarHBondContact O-N 3.32Å
580K81.4Confident81.9Confident121 Ų12168.8 Ų68.853%0.52634%0.339SS..Hα-helixtrans-77.6-15.7175.8-77.5177.5-177.9-1790114.5L576 L578L576-K580 WeakPolarHBondContact O-CB 3.43Å; L576-K580 VanDerWaalsContact O-CG 3.31Å; L576-K580 WeakPolarHBondContact O-CG 3.31Å; L576-K580 PolarHBondContact O-N 3.18Å; L578-K580 PolarHBondContact O-N 2.64Å
581K72.3Confident81.4Confident179 Ų17968.3 Ų68.378%0.77833%0.334SS*.Hα-helixtrans-83.6-25.3178.4-81.8-179175.5-178.90112.9A577 L578A577-K581 PolarHBondContact O-N 3.3Å; L578-K581 PolarHBondContact O-N 2.95Å
582E58.3Low80.7Confident86 Ų8672.4 Ų72.440%0.40236%0.356SS..Hα-helixtrans-85.5-20178.3-79.7-145.2156.400114L515L515-E582 WeakPolarHBondContact CB-OE2 3.47Å; L515-E582 HydrophobicContact CD1-CG 4.1Å; L515-E582 WeakPolarHBondContact CD1-OE2 3.41Å
583N48.7Very low80.3Confident141 Ų14178.9 Ų78.975%0.75439%0.387SS*.  trans-84.90167.9-79-23.4000111.1Q552Q552-N583 PolarHBondContact NE2-ND2 3.06Å

Retrieved 583 of 583 residues in 197.2 ms (Link to these results)

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