A0A087XV99_POEFO Loading...

FERM domain containing kindlin 3b

AlphaFold DB , UniProt , Accession A0A087XV99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 651 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
1S53.2Low86.7Confident168 Ų16863.3 Ų63.3100%1.17539%0.393SS*.  0135.3049.50000107.7
2M65Low87.2Confident90 Ų9062.9 Ų62.944%0.44338%0.384SS..PPolyproline II helixtrans-64.4143.2168.3-66.6-171-155.400108.7A4 D28M2-A4 PolarHBondContact O-N 3.23Å; M2-D28 HydrophobicContact CE-CB 3.87Å; M2-D28 HydrophobicContact SD-CB 4.22Å
3A83.3Confident87.4Confident82 Ų8261.4 Ų61.468%0.67837%0.372SS*.PPolyproline II helixtrans-64133.4177.500000109.7
4A88.8Confident87.6Confident70 Ų7062.1 Ų62.158%0.57937%0.372SS*.PPolyproline II helixtrans-73.1142.6171.100000109.6M2 V25M2-A4 PolarHBondContact O-N 3.23Å; A4-V25 CarbonylContact C-O 3.59Å; A4-V25 VanDerWaalsContact CA-O 3.27Å; A4-V25 WeakPolarHBondContact CA-O 3.34Å
5W93.9Very high87.6Confident46 Ų4659.5 Ų59.517%0.17436%0.363CS..EExtended strand (participates in β ladder)trans-141.6161177.655.2-90.2000110.2L7 V25 S27 L69 I74 A76W5-L7 HydrophobicContact CE3-CB 4.25Å; W5-L7 HydrophobicContact CH2-CB 4.18Å; W5-L7 HydrophobicContact CH2-CD1 3.98Å; W5-L7 HydrophobicContact CH2-CG 4.49Å; W5-L7 HydrophobicContact CZ3-CB 3.57Å; W5-L7 HydrophobicContact CZ3-CD1 3.73Å; W5-L7 HydrophobicContact CZ3-CG 4.18Å; W5-V25 HydrophobicContact CD2-CG2 3.83Å; W5-V25 HydrophobicContact CE3-CG2 3.87Å; W5-V25 HydrophobicContact CH2-CG2 3.75Å; W5-V25 HydrophobicContact CZ2-CG2 3.71Å; W5-V25 HydrophobicContact CZ3-CG2 3.82Å; W5-V25 PolarHBondContact N-O 3.39Å; W5-V25 PolarHBondContact O-N 2.95Å; W5-S27 PolarHBondContact NE1-OG 3.5Å; W5-L69 HydrophobicContact CH2-CD1 4.14Å; W5-L69 HydrophobicContact CZ2-CD1 3.96Å; W5-I74 HydrophobicContact CH2-CG2 4.25Å; W5-A76 HydrophobicContact CD2-CB 4.44Å; W5-A76 HydrophobicContact CE3-CB 3.69Å; W5-A76 VanDerWaalsContact CZ3-CA 3.41Å; W5-A76 HydrophobicContact CZ3-CB 4.12Å
6D93.7Very high87.4Confident103 Ų10362.3 Ų62.355%0.55138%0.383SS*.EExtended strand (participates in β ladder)trans-91.3120.3-175-77.7-25.5000111.3T22D6-T22 HydrophobicContact CB-CG2 3.6Å
7L94.6Very high87.5Confident0 Ų067.9 Ų67.90%041%0.41CS..EExtended strand (participates in β ladder)trans-100.9125.6174.3178.563.8000109.7W5 V9 T22 I23 V25 V34 L69 I74 L80W5-L7 HydrophobicContact CE3-CB 4.25Å; W5-L7 HydrophobicContact CH2-CB 4.18Å; W5-L7 HydrophobicContact CH2-CD1 3.98Å; W5-L7 HydrophobicContact CH2-CG 4.49Å; W5-L7 HydrophobicContact CZ3-CB 3.57Å; W5-L7 HydrophobicContact CZ3-CD1 3.73Å; W5-L7 HydrophobicContact CZ3-CG 4.18Å; L7-V9 HydrophobicContact CD2-CG2 4.18Å; L7-V9 HydrophobicContact CG-CG2 3.94Å; L7-T22 CarbonylContact O-C 3.57Å; L7-T22 WeakPolarHBondContact O-CA 3.45Å; L7-I23 HydrophobicContact CB-CG1 4.19Å; L7-I23 HydrophobicContact CD2-CD1 4.45Å; L7-I23 PolarHBondContact N-O 3.12Å; L7-I23 PolarHBondContact O-N 3.46Å; L7-V25 HydrophobicContact CB-CG1 4.28Å; L7-V25 HydrophobicContact CB-CG2 3.73Å; L7-V25 HydrophobicContact CD2-CG1 4.41Å; L7-V25 HydrophobicContact CD2-CG2 4.42Å; L7-V34 HydrophobicContact CD2-CG1 4.11Å; L7-V34 HydrophobicContact CD2-CG2 4.45Å; L7-L69 HydrophobicContact CD2-CD1 4.38Å; L7-I74 HydrophobicContact CD1-CG2 4.31Å; L7-L80 HydrophobicContact CD1-CD1 3.93Å; L7-L80 HydrophobicContact CD1-CG 4.49Å; L7-L80 HydrophobicContact CD2-CD1 3.96Å; L7-L80 HydrophobicContact CG-CD1 4.33Å
8S94.1Very high87.6Confident48 Ų4865.5 Ų65.534%0.33640%0.399SS..EExtended strand (participates in β ladder)trans-98.8123.5178.7-164.80000110.8P20S8-P20 WeakPolarHBondContact OG-CB 3.09Å
9V96.2Very high87.7Confident0 Ų067.7 Ų67.70%041%0.414CS..EExtended strand (participates in β ladder)trans-128.8124.2-177.8-172.60000110.1L7 P20 V21 L38 L53 L80 F82L7-V9 HydrophobicContact CD2-CG2 4.18Å; L7-V9 HydrophobicContact CG-CG2 3.94Å; V9-P20 CarbonylContact O-C 3.58Å; V9-P20 WeakPolarHBondContact O-CA 3.24Å; V9-V21 PolarHBondContact N-O 2.84Å; V9-V21 PolarHBondContact O-N 3.08Å; V9-L38 HydrophobicContact CB-CD1 4.16Å; V9-L38 HydrophobicContact CB-CD2 3.78Å; V9-L38 HydrophobicContact CG1-CD1 3.87Å; V9-L38 HydrophobicContact CG1-CD2 4.27Å; V9-L38 HydrophobicContact CG2-CD1 4.1Å; V9-L38 HydrophobicContact CG2-CD2 3.98Å; V9-L53 HydrophobicContact CG1-CD2 3.8Å; V9-L80 WeakPolarHBondContact CA-O 3.48Å; V9-L80 HydrophobicContact CB-CB 4.47Å; V9-L80 HydrophobicContact CG1-CB 4.03Å; V9-L80 HydrophobicContact CG2-CB 4.13Å; V9-L80 HydrophobicContact CG2-CD1 4.37Å; V9-F82 HydrophobicContact CG1-CB 3.93Å
10K95.8Very high88Confident86 Ų8667.6 Ų67.637%0.37442%0.415SS..EExtended strand (participates in β ladder)trans-76.3132.7170.6-172.3171.8-173.9173.20108.7P16 L80 L81 F82K10-P16 PolarHBondContact NZ-O 3.03Å; K10-L80 PolarHBondContact N-O 3.32Å; K10-L81 HydrophobicContact CB-CD1 3.87Å; K10-L81 HydrophobicContact CD-CD1 4.19Å; K10-L81 HydrophobicContact CG-CD1 3.89Å; K10-L81 CarbonylContact O-C 3.5Å; K10-L81 WeakPolarHBondContact O-CA 3.29Å; K10-F82 PolarHBondContact O-N 2.92Å
11V95.1Very high88.3Confident3 Ų365.2 Ų65.22%0.01840%0.4CS..EExtended strand (participates in β ladder)trans-109.5114.4175.9179.60000107.6D13 L14 V21 T42 W48 F82V11-D13 HydrophobicContact CG1-CB 4.23Å; V11-D13 PolarHBondContact O-N 3.09Å; V11-L14 HydrophobicContact CB-CD1 3.87Å; V11-L14 HydrophobicContact CB-CG 3.92Å; V11-L14 HydrophobicContact CG1-CD1 4.42Å; V11-L14 HydrophobicContact CG1-CG 4.02Å; V11-L14 HydrophobicContact CG2-CD1 4.37Å; V11-L14 PolarHBondContact O-N 3.15Å; V11-V21 HydrophobicContact CG2-CG2 4Å; V11-T42 HydrophobicContact CG2-CG2 4.27Å; V11-W48 HydrophobicContact CG1-CH2 4.31Å; V11-W48 HydrophobicContact CG1-CZ3 4.48Å; V11-F82 HydrophobicContact CG1-CD1 4.15Å; V11-F82 HydrophobicContact CG2-CB 4.32Å; V11-F82 HydrophobicContact CG2-CD1 4.36Å
12E92.4Very high90.3Very high59 Ų5959.9 Ų59.928%0.27636%0.36SS..G310 helixtrans-58-38.4-175-177.8174.491.900112L14 G15 L81 F82 M83 P84 K87E12-L14 PolarHBondContact O-N 3.36Å; E12-G15 PolarHBondContact O-N 2.55Å; E12-L81 HydrophobicContact CB-CD1 4.36Å; E12-F82 PolarHBondContact N-O 2.91Å; E12-M83 HydrophobicContact CB-CB 3.7Å; E12-M83 HydrophobicContact CG-CB 4.36Å; E12-P84 WeakPolarHBondContact OE1-CD 3.39Å; E12-K87 IonicContact OE1-NZ 3.28Å; E12-K87 PolarHBondContact OE1-NZ 2.98Å; E12-K87 IonicContact OE2-NZ 3.14Å; E12-K87 PolarHBondContact OE2-NZ 3.11Å
13D90.8Very high91.7Very high43 Ų4355.9 Ų55.923%0.2334%0.341CS..G310 helixtrans-68.5-14.5-177.1-59.9-81.7000115.2V11 R46 W48 H51V11-D13 HydrophobicContact CG1-CB 4.23Å; V11-D13 PolarHBondContact O-N 3.09Å; D13-R46 VanDerWaalsContact CG-CZ 3.48Å; D13-R46 IonicContact OD1-CZ 3.68Å; D13-R46 IonicContact OD1-NH1 3.57Å; D13-R46 PolarHBondContact OD1-NH1 3.08Å; D13-R46 IonicContact OD1-NH2 2.81Å; D13-R46 PolarHBondContact OD1-NH2 3.21Å; D13-R46 IonicContact OD2-NH1 3.26Å; D13-W48 HydrophobicContact CB-CH2 4.45Å; D13-W48 HydrophobicContact CB-CZ3 4.46Å; D13-H51 IonicContact OD1-NE2 2.89Å; D13-H51 IonicContact OD2-CD2 3.58Å; D13-H51 PolarHBondContact OD2-CD2 3.21Å; D13-H51 VanDerWaalsContact OD2-CD2 3.23Å; D13-H51 IonicContact OD2-CE1 3.83Å; D13-H51 IonicContact OD2-NE2 3.94Å; D13-H51 PolarHBondContact OD2-NE2 3.06Å
14L89.7Confident92.2Very high71 Ų7155.1 Ų55.137%0.37233%0.33SS..G310 helixtrans-79.2-7.9171.9-62.3179.3000112.1V11 E12 A18 V21 M44V11-L14 HydrophobicContact CB-CD1 3.87Å; V11-L14 HydrophobicContact CB-CG 3.92Å; V11-L14 HydrophobicContact CG1-CD1 4.42Å; V11-L14 HydrophobicContact CG1-CG 4.02Å; V11-L14 HydrophobicContact CG2-CD1 4.37Å; V11-L14 PolarHBondContact O-N 3.15Å; E12-L14 PolarHBondContact O-N 3.36Å; L14-A18 HydrophobicContact CB-CB 3.47Å; L14-A18 VanDerWaalsContact CB-CB 3.47Å; L14-A18 WeakPolarHBondContact O-CB 3.49Å; L14-V21 HydrophobicContact CD1-CG2 3.75Å; L14-M44 HydrophobicContact CD2-SD 3.73Å
15G87.9Confident92.5Very high24 Ų2451.9 Ų51.925%0.24730%0.303CS..  trans98.6163.3-178.100000113.3E12 D17 A18E12-G15 PolarHBondContact O-N 2.55Å; G15-D17 VanDerWaalsContact C-N 3.29Å; G15-D17 PolarHBondContact O-N 2.69Å; G15-A18 PolarHBondContact O-N 3.08Å
16P84.1Confident92.5Very high104 Ų10450.9 Ų50.968%0.67531%0.305SS*.THydrogen-bonded Turntrans-64.4-32.1-171.924.4-33.7000113.7K10K10-P16 PolarHBondContact NZ-O 3.03Å
17D88.5Confident92.4Very high157 Ų15747.3 Ų47.384%0.8429%0.288SS*.THydrogen-bonded Turntrans-92.3-3.8-176-59.6-44.2000113.7G15G15-D17 VanDerWaalsContact C-N 3.29Å; G15-D17 PolarHBondContact O-N 2.69Å
18A89.6Confident92.4Very high25 Ų2551.5 Ų51.521%0.20731%0.311CS..PPolyproline II helixtrans-68.4136.6-179.900000111.2L14 G15L14-A18 HydrophobicContact CB-CB 3.47Å; L14-A18 VanDerWaalsContact CB-CB 3.47Å; L14-A18 WeakPolarHBondContact O-CB 3.49Å; G15-A18 PolarHBondContact O-N 3.08Å
19P90.7Very high92.5Very high107 Ų10750.8 Ų50.870%0.69530%0.303SS*.PPolyproline II helixtrans-65.4149.5174.628.4-34000110.4
20P92.6Very high92.5Very high66 Ų6654.6 Ų54.643%0.42932%0.32SS..PPolyproline II helixtrans-56.3143.2173.4-26.736000112.8S8 V9S8-P20 WeakPolarHBondContact OG-CB 3.09Å; V9-P20 CarbonylContact O-C 3.58Å; V9-P20 WeakPolarHBondContact O-CA 3.24Å
21V94.4Very high92.5Very high18 Ų1850.5 Ų50.511%0.10930%0.303CS..EExtended strand (participates in β ladder)trans-83119.2173.9-178.40000108.6V9 V11 L14 I23 L38 K41 T42V9-V21 PolarHBondContact N-O 2.84Å; V9-V21 PolarHBondContact O-N 3.08Å; V11-V21 HydrophobicContact CG2-CG2 4Å; L14-V21 HydrophobicContact CD1-CG2 3.75Å; V21-I23 HydrophobicContact CG1-CG2 4.38Å; V21-L38 HydrophobicContact CB-CD2 4.28Å; V21-L38 HydrophobicContact CG1-CD2 4.19Å; V21-K41 HydrophobicContact CG1-CB 4.31Å; V21-K41 HydrophobicContact CG1-CD 3.67Å; V21-K41 HydrophobicContact CG1-CG 3.86Å; V21-T42 HydrophobicContact CG2-CG2 4.43Å
22T94.4Very high92.5Very high55 Ų5551 Ų5134%0.33731%0.309SS..EExtended strand (participates in β ladder)trans-89.8130.9176-54.50000110.7D6 L7 K41D6-T22 HydrophobicContact CB-CG2 3.6Å; L7-T22 CarbonylContact O-C 3.57Å; L7-T22 WeakPolarHBondContact O-CA 3.45Å; T22-K41 WeakPolarHBondContact O-CE 3.19Å; T22-K41 PolarHBondContact O-NZ 2.77Å
23I94.6Very high92.7Very high7 Ų748.7 Ų48.74%0.03630%0.3CS..EExtended strand (participates in β ladder)trans-127.6140.9174.354.2160.1000111L7 V21 V25 V34 K37 L38 K41L7-I23 HydrophobicContact CB-CG1 4.19Å; L7-I23 HydrophobicContact CD2-CD1 4.45Å; L7-I23 PolarHBondContact N-O 3.12Å; L7-I23 PolarHBondContact O-N 3.46Å; V21-I23 HydrophobicContact CG1-CG2 4.38Å; I23-V25 HydrophobicContact CD1-CG1 3.58Å; I23-V25 HydrophobicContact CG1-CG1 3.89Å; I23-V25 PolarHBondContact O-N 3.11Å; I23-V34 HydrophobicContact CD1-CG1 3.9Å; I23-K37 HydrophobicContact CD1-CB 4.21Å; I23-L38 HydrophobicContact CD1-CD2 4.24Å; I23-L38 HydrophobicContact CD1-CG 4.11Å; I23-L38 HydrophobicContact CG1-CD2 4.38Å; I23-L38 HydrophobicContact CG2-CD2 4.07Å; I23-K41 HydrophobicContact CG2-CD 3.86Å
24S94.4Very high92.9Very high65 Ų6546.6 Ų46.646%0.45529%0.289SS..EExtended strand (participates in β ladder)trans-79.9120.3174.1175.90000109.9K37S24-K37 PolarHBondContact O-NZ 3.32Å
25V95.1Very high93.2Very high2 Ų244.7 Ų44.71%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-129161.1-176.5-59.70000111.5A4 W5 L7 I23 L29 V34 L69A4-V25 CarbonylContact C-O 3.59Å; A4-V25 VanDerWaalsContact CA-O 3.27Å; A4-V25 WeakPolarHBondContact CA-O 3.34Å; W5-V25 HydrophobicContact CD2-CG2 3.83Å; W5-V25 HydrophobicContact CE3-CG2 3.87Å; W5-V25 HydrophobicContact CH2-CG2 3.75Å; W5-V25 HydrophobicContact CZ2-CG2 3.71Å; W5-V25 HydrophobicContact CZ3-CG2 3.82Å; W5-V25 PolarHBondContact N-O 3.39Å; W5-V25 PolarHBondContact O-N 2.95Å; L7-V25 HydrophobicContact CB-CG1 4.28Å; L7-V25 HydrophobicContact CB-CG2 3.73Å; L7-V25 HydrophobicContact CD2-CG1 4.41Å; L7-V25 HydrophobicContact CD2-CG2 4.42Å; I23-V25 HydrophobicContact CD1-CG1 3.58Å; I23-V25 HydrophobicContact CG1-CG1 3.89Å; I23-V25 PolarHBondContact O-N 3.11Å; V25-L29 HydrophobicContact CB-CD2 3.92Å; V25-L29 HydrophobicContact CG1-CD2 3.67Å; V25-V34 HydrophobicContact CG1-CG2 4.35Å; V25-L69 HydrophobicContact CB-CD1 4.07Å; V25-L69 HydrophobicContact CG2-CD1 3.82Å
26A94.3Very high93.5Very high25 Ų2548.7 Ų48.721%0.20729%0.294CS..  trans-114.8155.5167.600000108.3D28 L29A26-D28 WeakPolarHBondContact CB-OD1 3.34Å; A26-D28 PolarHBondContact O-N 3.19Å; A26-L29 WeakPolarHBondContact O-CB 3.46Å; A26-L29 PolarHBondContact O-N 3.09Å
27S92.2Very high94Very high28 Ų2847.7 Ų47.720%0.19628%0.279CS..THydrogen-bonded Turntrans-66.5-23.6-172.5-48.90000113.8W5 L29 L69 E70W5-S27 PolarHBondContact NE1-OG 3.5Å; S27-L29 VanDerWaalsContact C-N 3.31Å; S27-L69 PolarHBondContact O-N 3.17Å; S27-E70 WeakPolarHBondContact O-CB 3.48Å; S27-E70 PolarHBondContact O-N 3.46Å
28D94.4Very high94.3Very high89 Ų8940.2 Ų40.248%0.47624%0.239SC..THydrogen-bonded Turntrans-80.9-5.617461.5-16.1000113.7M2 A26 H30 T68M2-D28 HydrophobicContact CE-CB 3.87Å; M2-D28 HydrophobicContact SD-CB 4.22Å; A26-D28 WeakPolarHBondContact CB-OD1 3.34Å; A26-D28 PolarHBondContact O-N 3.19Å; D28-H30 PolarHBondContact O-N 3.05Å; D28-T68 VanDerWaalsContact O-CG2 3.23Å; D28-T68 WeakPolarHBondContact O-CG2 3.3Å
29L95.6Very high94.4Very high32 Ų3240.8 Ų40.817%0.16824%0.24CC..  trans-65.1132.6174.5-172.763.6000109.9V25 A26 S27 V34 K37 T68 L69V25-L29 HydrophobicContact CB-CD2 3.92Å; V25-L29 HydrophobicContact CG1-CD2 3.67Å; A26-L29 WeakPolarHBondContact O-CB 3.46Å; A26-L29 PolarHBondContact O-N 3.09Å; S27-L29 VanDerWaalsContact C-N 3.31Å; L29-V34 HydrophobicContact CD2-CG2 3.71Å; L29-V34 HydrophobicContact CG-CG2 4.12Å; L29-K37 HydrophobicContact CD2-CD 4.18Å; L29-T68 CarbonylContact O-C 3.54Å; L29-T68 WeakPolarHBondContact O-CA 3.47Å; L29-L69 WeakPolarHBondContact O-CG 3.35Å; L29-L69 PolarHBondContact O-N 3.27Å
30H96.3Very high94.5Very high80 Ų8042.4 Ų42.437%0.3724%0.239SC..BIsolated β-bridgetrans-81.5154.417661.6-81.8000111.6D28 G32 G33 V34 T65 W67D28-H30 PolarHBondContact O-N 3.05Å; H30-G32 VanDerWaalsContact C-N 3.25Å; H30-G32 PolarHBondContact O-N 3.46Å; H30-G33 PolarHBondContact CD2-N 2.81Å; H30-G33 PolarHBondContact NE2-N 2.99Å; H30-G33 VanDerWaalsContact NE2-N 3.13Å; H30-G33 WeakPolarHBondContact O-CA 3.35Å; H30-G33 PolarHBondContact O-N 3.28Å; H30-V34 PolarHBondContact O-N 2.79Å; H30-V34 VanDerWaalsContact O-N 3.11Å; H30-T65 PolarHBondContact CD2-O 3.39Å; H30-W67 VanDerWaalsContact CA-O 3.28Å; H30-W67 WeakPolarHBondContact CA-O 3.13Å
31V95.9Very high94.4Very high0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-55.4-38.4-178.2167.20000112.6G33 V34 I35 L53 L62 T65 W67 Y72V31-G33 VanDerWaalsContact C-N 3.31Å; V31-G33 PolarHBondContact O-N 2.93Å; V31-V34 WeakPolarHBondContact O-CB 3.23Å; V31-V34 PolarHBondContact O-N 3.01Å; V31-I35 HydrophobicContact CG1-CD1 4.11Å; V31-I35 WeakPolarHBondContact O-CG1 3.44Å; V31-I35 PolarHBondContact O-N 2.89Å; V31-L53 HydrophobicContact CG1-CD1 4.01Å; V31-L62 HydrophobicContact CG1-CB 4.27Å; V31-L62 HydrophobicContact CG2-CB 4.31Å; V31-T65 PolarHBondContact N-O 2.83Å; V31-W67 PolarHBondContact N-O 2.79Å; V31-Y72 HydrophobicContact CG2-CD2 3.9Å; V31-Y72 HydrophobicContact CG2-CE2 3.65Å
32G95Very high94.2Very high15 Ų1545.2 Ų45.216%0.15524%0.244CC..Hα-helixtrans-59.3-40.6174.200000113H30 V34 I35 L36 T65H30-G32 VanDerWaalsContact C-N 3.25Å; H30-G32 PolarHBondContact O-N 3.46Å; G32-V34 VanDerWaalsContact C-N 3.34Å; G32-V34 PolarHBondContact O-N 2.7Å; G32-I35 PolarHBondContact O-N 3.1Å; G32-L36 WeakPolarHBondContact O-CG 3.22Å; G32-L36 PolarHBondContact O-N 3.28Å; G32-T65 PolarHBondContact N-O 3.09Å
33G95.7Very high93.8Very high9 Ų950.9 Ų50.99%0.09327%0.267CS..Hα-helixtrans-68.3-32.417600000113H30 V31 K37H30-G33 PolarHBondContact CD2-N 2.81Å; H30-G33 PolarHBondContact NE2-N 2.99Å; H30-G33 VanDerWaalsContact NE2-N 3.13Å; H30-G33 WeakPolarHBondContact O-CA 3.35Å; H30-G33 PolarHBondContact O-N 3.28Å; V31-G33 VanDerWaalsContact C-N 3.31Å; V31-G33 PolarHBondContact O-N 2.93Å; G33-K37 WeakPolarHBondContact O-CG 3.37Å; G33-K37 PolarHBondContact O-N 3.5Å; G33-K37 VanDerWaalsContact O-N 3.09Å
34V95.5Very high93.4Very high0 Ų053.8 Ų53.80%028%0.281CS..Hα-helixtrans-62.5-481701680000110.7L7 I23 V25 L29 H30 V31 G32 L36 K37 L38 L53 L69L7-V34 HydrophobicContact CD2-CG1 4.11Å; L7-V34 HydrophobicContact CD2-CG2 4.45Å; I23-V34 HydrophobicContact CD1-CG1 3.9Å; V25-V34 HydrophobicContact CG1-CG2 4.35Å; L29-V34 HydrophobicContact CD2-CG2 3.71Å; L29-V34 HydrophobicContact CG-CG2 4.12Å; H30-V34 PolarHBondContact O-N 2.79Å; H30-V34 VanDerWaalsContact O-N 3.11Å; V31-V34 WeakPolarHBondContact O-CB 3.23Å; V31-V34 PolarHBondContact O-N 3.01Å; G32-V34 VanDerWaalsContact C-N 3.34Å; G32-V34 PolarHBondContact O-N 2.7Å; V34-L36 PolarHBondContact O-N 3.36Å; V34-K37 PolarHBondContact O-N 3.04Å; V34-L38 HydrophobicContact CG1-CD1 3.94Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.41Å; V34-L38 PolarHBondContact O-N 3.25Å; V34-L53 HydrophobicContact CB-CD1 4.46Å; V34-L53 HydrophobicContact CG1-CD1 3.76Å; V34-L69 HydrophobicContact CG2-CD1 4.02Å; V34-L69 HydrophobicContact CG2-CD2 4.09Å; V34-L69 HydrophobicContact CG2-CG 4.24Å
35I95.3Very high92.9Very high31 Ų3160.3 Ų60.316%0.15931%0.305CS..Hα-helixtrans-61-44.7178.8-66.8168.6000110.9V31 G32 K37 L38 V39 L53 F82V31-I35 HydrophobicContact CG1-CD1 4.11Å; V31-I35 WeakPolarHBondContact O-CG1 3.44Å; V31-I35 PolarHBondContact O-N 2.89Å; G32-I35 PolarHBondContact O-N 3.1Å; I35-K37 PolarHBondContact O-N 3.23Å; I35-L38 WeakPolarHBondContact O-CB 3.39Å; I35-L38 PolarHBondContact O-N 3.33Å; I35-V39 HydrophobicContact CG2-CG2 4.32Å; I35-V39 WeakPolarHBondContact O-CG2 3.3Å; I35-V39 PolarHBondContact O-N 3.44Å; I35-L53 HydrophobicContact CG1-CD1 4.2Å; I35-L53 HydrophobicContact CG1-CG 4.25Å; I35-F82 HydrophobicContact CD1-CE2 4.41Å; I35-F82 HydrophobicContact CG1-CE2 4.07Å; I35-F82 HydrophobicContact CG2-CE2 3.93Å; I35-F82 HydrophobicContact CG2-CZ 3.84Å
36L94.3Very high92.5Very high108 Ų10865 Ų6557%0.56532%0.322SS*.Hα-helixtrans-57.9-49.5176.6-72.3170.6000111.8G32 V34 L38 V39 E40G32-L36 WeakPolarHBondContact O-CG 3.22Å; G32-L36 PolarHBondContact O-N 3.28Å; V34-L36 PolarHBondContact O-N 3.36Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.04Å; L36-V39 PolarHBondContact O-N 3.06Å; L36-E40 WeakPolarHBondContact O-CB 3.44Å; L36-E40 WeakPolarHBondContact O-CG 3.33Å; L36-E40 PolarHBondContact O-N 3.08Å
37K95.1Very high92.1Very high83 Ų8369.3 Ų69.336%0.36134%0.341SS..Hα-helixtrans-60.4-37.7176.5-78.3-176.1169.1-175.20112.9I23 S24 L29 G33 V34 I35 K41I23-K37 HydrophobicContact CD1-CB 4.21Å; S24-K37 PolarHBondContact O-NZ 3.32Å; L29-K37 HydrophobicContact CD2-CD 4.18Å; G33-K37 WeakPolarHBondContact O-CG 3.37Å; G33-K37 PolarHBondContact O-N 3.5Å; G33-K37 VanDerWaalsContact O-N 3.09Å; V34-K37 PolarHBondContact O-N 3.04Å; I35-K37 PolarHBondContact O-N 3.23Å; K37-K41 VanDerWaalsContact O-CB 3.27Å; K37-K41 WeakPolarHBondContact O-CB 3.16Å; K37-K41 PolarHBondContact O-N 2.61Å; K37-K41 VanDerWaalsContact O-N 3.09Å
38L94.1Very high91.9Very high0 Ų069.6 Ų69.60%034%0.338CS..Hα-helixtrans-64.5-50.8175.8-74167.1000110.9V9 V21 I23 V34 I35 L36 E40 K41 T42 L53V9-L38 HydrophobicContact CB-CD1 4.16Å; V9-L38 HydrophobicContact CB-CD2 3.78Å; V9-L38 HydrophobicContact CG1-CD1 3.87Å; V9-L38 HydrophobicContact CG1-CD2 4.27Å; V9-L38 HydrophobicContact CG2-CD1 4.1Å; V9-L38 HydrophobicContact CG2-CD2 3.98Å; V21-L38 HydrophobicContact CB-CD2 4.28Å; V21-L38 HydrophobicContact CG1-CD2 4.19Å; I23-L38 HydrophobicContact CD1-CD2 4.24Å; I23-L38 HydrophobicContact CD1-CG 4.11Å; I23-L38 HydrophobicContact CG1-CD2 4.38Å; I23-L38 HydrophobicContact CG2-CD2 4.07Å; V34-L38 HydrophobicContact CG1-CD1 3.94Å; V34-L38 HydrophobicContact CG1-CG 4.48Å; V34-L38 WeakPolarHBondContact O-CG 3.41Å; V34-L38 PolarHBondContact O-N 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.39Å; I35-L38 PolarHBondContact O-N 3.33Å; L36-L38 VanDerWaalsContact C-N 3.3Å; L36-L38 PolarHBondContact O-N 3.04Å; L38-E40 PolarHBondContact O-N 2.99Å; L38-K41 PolarHBondContact O-N 2.91Å; L38-K41 VanDerWaalsContact O-N 3.14Å; L38-T42 VanDerWaalsContact O-CG2 3.3Å; L38-T42 WeakPolarHBondContact O-CG2 3.28Å; L38-T42 PolarHBondContact O-N 2.91Å; L38-T42 PolarHBondContact O-OG1 3.32Å; L38-L53 HydrophobicContact CD1-CD2 3.97Å
39V92.7Very high91.6Very high37 Ų3769.8 Ų69.822%0.22435%0.347CS..Hα-helixtrans-59.9-47.2-179.4170.70000110.9I35 L36 K41 T42 Q43 W48 F82I35-V39 HydrophobicContact CG2-CG2 4.32Å; I35-V39 WeakPolarHBondContact O-CG2 3.3Å; I35-V39 PolarHBondContact O-N 3.44Å; L36-V39 PolarHBondContact O-N 3.06Å; V39-K41 VanDerWaalsContact C-N 3.29Å; V39-K41 PolarHBondContact O-N 3.07Å; V39-T42 PolarHBondContact O-N 3.23Å; V39-T42 PolarHBondContact O-OG1 3.18Å; V39-Q43 PolarHBondContact O-N 3.25Å; V39-W48 HydrophobicContact CG1-CG 4.48Å; V39-W48 HydrophobicContact CG2-CB 4.43Å; V39-W48 HydrophobicContact CG2-CD2 3.97Å; V39-W48 HydrophobicContact CG2-CG 3.86Å; V39-F82 HydrophobicContact CG2-CE1 4.31Å; V39-F82 HydrophobicContact CG2-CZ 4.41Å
40E91.9Very high91.4Very high141 Ų14170.1 Ų70.166%0.65935%0.349SS*.Hα-helixtrans-56.8-42.1175.3-74174.3179.500112.2L36 L38L36-E40 WeakPolarHBondContact O-CB 3.44Å; L36-E40 WeakPolarHBondContact O-CG 3.33Å; L36-E40 PolarHBondContact O-N 3.08Å; L38-E40 PolarHBondContact O-N 2.99Å
41K92.1Very high91.3Very high121 Ų12167 Ų6753%0.52633%0.334SS..Hα-helixtrans-72.9-30.5-179.6-171.4161.3-177.8162.20113.3V21 T22 I23 K37 L38 V39 Q43V21-K41 HydrophobicContact CG1-CB 4.31Å; V21-K41 HydrophobicContact CG1-CD 3.67Å; V21-K41 HydrophobicContact CG1-CG 3.86Å; T22-K41 WeakPolarHBondContact O-CE 3.19Å; T22-K41 PolarHBondContact O-NZ 2.77Å; I23-K41 HydrophobicContact CG2-CD 3.86Å; K37-K41 VanDerWaalsContact O-CB 3.27Å; K37-K41 WeakPolarHBondContact O-CB 3.16Å; K37-K41 PolarHBondContact O-N 2.61Å; K37-K41 VanDerWaalsContact O-N 3.09Å; L38-K41 PolarHBondContact O-N 2.91Å; L38-K41 VanDerWaalsContact O-N 3.14Å; V39-K41 VanDerWaalsContact C-N 3.29Å; V39-K41 PolarHBondContact O-N 3.07Å; K41-Q43 VanDerWaalsContact C-N 3.33Å
42T88.6Confident91.3Very high21 Ų2167.3 Ų67.313%0.12934%0.336CS..Hα-helixtrans-74.1-22177.559.40000113.6V11 V21 L38 V39 M44V11-T42 HydrophobicContact CG2-CG2 4.27Å; V21-T42 HydrophobicContact CG2-CG2 4.43Å; L38-T42 VanDerWaalsContact O-CG2 3.3Å; L38-T42 WeakPolarHBondContact O-CG2 3.28Å; L38-T42 PolarHBondContact O-N 2.91Å; L38-T42 PolarHBondContact O-OG1 3.32Å; V39-T42 PolarHBondContact O-N 3.23Å; V39-T42 PolarHBondContact O-OG1 3.18Å; T42-M44 PolarHBondContact O-N 3.34Å
43Q86.8Confident91.4Very high175 Ų17566.6 Ų66.682%0.81833%0.329SS*.  trans53.921.7-179.7-58.9-172.8-12.400115.2V39 K41V39-Q43 PolarHBondContact O-N 3.25Å; K41-Q43 VanDerWaalsContact C-N 3.33Å
44M85.8Confident91.4Very high67 Ų6766.6 Ų66.633%0.3333%0.326SS..  trans-91128.6177.3-62.4177.274.300111.1L14 T42 R46 W48L14-M44 HydrophobicContact CD2-SD 3.73Å; T42-M44 PolarHBondContact O-N 3.34Å; M44-R46 PolarHBondContact O-N 3.36Å; M44-W48 HydrophobicContact CB-CZ2 4.07Å; M44-W48 HydrophobicContact SD-CH2 4.37Å; M44-W48 HydrophobicContact SD-CZ2 4.46Å
45Q83.9Confident91.4Very high203 Ų20367.6 Ų67.695%0.94933%0.33SS*.  trans-85.4101.4170-68.1-1425.800110.5
46R86.4Confident91.3Very high100 Ų10069.6 Ų69.638%0.37734%0.341SS..SBendtrans-155.4169.2176.964.3179.3-69.6165.6-7111.6D13 M44 W48 H51D13-R46 VanDerWaalsContact CG-CZ 3.48Å; D13-R46 IonicContact OD1-CZ 3.68Å; D13-R46 IonicContact OD1-NH1 3.57Å; D13-R46 PolarHBondContact OD1-NH1 3.08Å; D13-R46 IonicContact OD1-NH2 2.81Å; D13-R46 PolarHBondContact OD1-NH2 3.21Å; D13-R46 IonicContact OD2-NH1 3.26Å; M44-R46 PolarHBondContact O-N 3.36Å; R46-W48 VanDerWaalsContact CD-CZ2 3.47Å; R46-W48 HydrophobicContact CG-CD2 3.74Å; R46-W48 HydrophobicContact CG-CE3 4.34Å; R46-W48 HydrophobicContact CG-CG 4.19Å; R46-W48 HydrophobicContact CG-CH2 4.25Å; R46-W48 HydrophobicContact CG-CZ2 3.62Å; R46-W48 VanDerWaalsContact O-CD1 3.28Å; R46-H51 PolarHBondContact NH2-CE1 3.43Å
47N85.9Confident91.2Very high115 Ų11568.2 Ų68.262%0.61533%0.332SS*.  trans-76.5123.8167.9-170.65.8000110.3S49N47-S49 PolarHBondContact ND2-OG 3.27Å; N47-S49 VanDerWaalsContact ND2-OG 3.08Å; N47-S49 WeakPolarHBondContact OD1-CB 3.37Å; N47-S49 PolarHBondContact OD1-N 2.94Å; N47-S49 PolarHBondContact OD1-OG 3.41Å
48W89.1Confident91.1Very high34 Ų3470.8 Ų70.813%0.12934%0.343CS..  trans-110.27.3177.3-61.4105000112.5V11 D13 V39 M44 R46 D50 H51 F82V11-W48 HydrophobicContact CG1-CH2 4.31Å; V11-W48 HydrophobicContact CG1-CZ3 4.48Å; D13-W48 HydrophobicContact CB-CH2 4.45Å; D13-W48 HydrophobicContact CB-CZ3 4.46Å; V39-W48 HydrophobicContact CG1-CG 4.48Å; V39-W48 HydrophobicContact CG2-CB 4.43Å; V39-W48 HydrophobicContact CG2-CD2 3.97Å; V39-W48 HydrophobicContact CG2-CG 3.86Å; M44-W48 HydrophobicContact CB-CZ2 4.07Å; M44-W48 HydrophobicContact SD-CH2 4.37Å; M44-W48 HydrophobicContact SD-CZ2 4.46Å; R46-W48 VanDerWaalsContact CD-CZ2 3.47Å; R46-W48 HydrophobicContact CG-CD2 3.74Å; R46-W48 HydrophobicContact CG-CE3 4.34Å; R46-W48 HydrophobicContact CG-CG 4.19Å; R46-W48 HydrophobicContact CG-CH2 4.25Å; R46-W48 HydrophobicContact CG-CZ2 3.62Å; R46-W48 VanDerWaalsContact O-CD1 3.28Å; W48-D50 PolarHBondContact O-N 3.49Å; W48-D50 VanDerWaalsContact O-N 3.16Å; W48-H51 HydrophobicContact CE3-CB 4.25Å; W48-H51 AromaticContact CE3-CD2 3.5Å; W48-H51 AromaticContact CE3-CE1 3.78Å; W48-H51 AromaticContact CE3-CG 3.61Å; W48-H51 AromaticContact CE3-ND1 3.79Å; W48-H51 AromaticContact CE3-NE2 3.61Å; W48-H51 AromaticContact CZ3-CD2 3.64Å; W48-H51 AromaticContact CZ3-NE2 3.63Å; W48-H51 PolarHBondContact O-N 3.28Å; W48-F82 HydrophobicContact CD2-CE1 4.2Å; W48-F82 HydrophobicContact CE3-CD1 4.41Å; W48-F82 AromaticContact CE3-CE1 3.43Å; W48-F82 HydrophobicContact CE3-CE1 3.43Å; W48-F82 VanDerWaalsContact CE3-CE1 3.43Å; W48-F82 AromaticContact CE3-CZ 3.92Å; W48-F82 HydrophobicContact CE3-CZ 3.92Å; W48-F82 HydrophobicContact CH2-CE1 4.25Å; W48-F82 HydrophobicContact CZ3-CD1 4.07Å; W48-F82 AromaticContact CZ3-CE1 3.48Å; W48-F82 HydrophobicContact CZ3-CE1 3.48Å; W48-F82 VanDerWaalsContact CZ3-CE1 3.48Å; W48-F82 HydrophobicContact CZ3-CZ 4.4Å
49S87.7Confident91.1Very high94 Ų9474.4 Ų74.466%0.65736%0.36SS*.THydrogen-bonded Turntrans-61.3-25.7-174.265.50000113.8N47N47-S49 PolarHBondContact ND2-OG 3.27Å; N47-S49 VanDerWaalsContact ND2-OG 3.08Å; N47-S49 WeakPolarHBondContact OD1-CB 3.37Å; N47-S49 PolarHBondContact OD1-N 2.94Å; N47-S49 PolarHBondContact OD1-OG 3.41Å
50D90.5Very high91.1Very high38 Ų3877.6 Ų77.620%0.20337%0.368CS..THydrogen-bonded Turntrans-92-7.1179.2-167.846.8000113.2W48 P84 Q85 H86W48-D50 PolarHBondContact O-N 3.49Å; W48-D50 VanDerWaalsContact O-N 3.16Å; D50-P84 WeakPolarHBondContact OD2-CB 3.36Å; D50-Q85 WeakPolarHBondContact O-CB 3.45Å; D50-Q85 VanDerWaalsContact O-CG 3.27Å; D50-Q85 WeakPolarHBondContact O-CG 3.46Å; D50-Q85 PolarHBondContact O-N 3.47Å; D50-Q85 PolarHBondContact O-NE2 3.29Å; D50-Q85 VanDerWaalsContact O-NE2 3.11Å; D50-Q85 PolarHBondContact OD2-N 2.74Å; D50-H86 IonicContact OD1-CE1 3.74Å; D50-H86 IonicContact OD1-CG 2.71Å; D50-H86 IonicContact OD1-ND1 3.89Å; D50-H86 PolarHBondContact OD1-ND1 3.28Å; D50-H86 WeakPolarHBondContact OD2-CB 3.29Å; D50-H86 IonicContact OD2-CG 2.7Å; D50-H86 PolarHBondContact OD2-N 2.95Å; D50-H86 IonicContact OD2-ND1 2.67Å
51H94.1Very high91.2Very high16 Ų1671.7 Ų71.77%0.07434%0.34CS..EExtended strand (participates in β ladder)trans-85.8141.6-174.1-67.565.3000112.6D13 R46 W48 F82 M83D13-H51 IonicContact OD1-NE2 2.89Å; D13-H51 IonicContact OD2-CD2 3.58Å; D13-H51 PolarHBondContact OD2-CD2 3.21Å; D13-H51 VanDerWaalsContact OD2-CD2 3.23Å; D13-H51 IonicContact OD2-CE1 3.83Å; D13-H51 IonicContact OD2-NE2 3.94Å; D13-H51 PolarHBondContact OD2-NE2 3.06Å; R46-H51 PolarHBondContact NH2-CE1 3.43Å; W48-H51 HydrophobicContact CE3-CB 4.25Å; W48-H51 AromaticContact CE3-CD2 3.5Å; W48-H51 AromaticContact CE3-CE1 3.78Å; W48-H51 AromaticContact CE3-CG 3.61Å; W48-H51 AromaticContact CE3-ND1 3.79Å; W48-H51 AromaticContact CE3-NE2 3.61Å; W48-H51 AromaticContact CZ3-CD2 3.64Å; W48-H51 AromaticContact CZ3-NE2 3.63Å; W48-H51 PolarHBondContact O-N 3.28Å; H51-F82 HydrophobicContact CB-CD2 4.19Å; H51-F82 HydrophobicContact CB-CE1 4.05Å; H51-F82 HydrophobicContact CB-CE2 3.42Å; H51-F82 VanDerWaalsContact CB-CE2 3.42Å; H51-F82 HydrophobicContact CB-CZ 3.34Å; H51-M83 WeakPolarHBondContact CA-O 3.36Å
52A96.4Very high91.4Very high5 Ų566 Ų664%0.04132%0.315CS..EExtended strand (participates in β ladder)trans-143168.2173.400000111.1W61 L63 M83 Q85A52-W61 HydrophobicContact CB-CE3 3.74Å; A52-W61 HydrophobicContact CB-CZ3 3.75Å; A52-L63 HydrophobicContact CB-CD2 3.86Å; A52-M83 PolarHBondContact N-O 3.42Å; A52-M83 PolarHBondContact O-N 2.88Å; A52-Q85 HydrophobicContact CB-CG 3.74Å
53L97.1Very high91.6Very high0 Ų068.5 Ų68.50%033%0.327CS..EExtended strand (participates in β ladder)trans-90.4127.7175.7-65.8170.1000110.3V9 V31 V34 I35 L38 L62 L80 L81 F82V9-L53 HydrophobicContact CG1-CD2 3.8Å; V31-L53 HydrophobicContact CG1-CD1 4.01Å; V34-L53 HydrophobicContact CB-CD1 4.46Å; V34-L53 HydrophobicContact CG1-CD1 3.76Å; I35-L53 HydrophobicContact CG1-CD1 4.2Å; I35-L53 HydrophobicContact CG1-CG 4.25Å; L38-L53 HydrophobicContact CD1-CD2 3.97Å; L53-L62 HydrophobicContact CB-CB 4.11Å; L53-L62 HydrophobicContact CB-CD1 3.87Å; L53-L62 HydrophobicContact CB-CG 4.22Å; L53-L62 HydrophobicContact CD1-CD1 4.26Å; L53-L62 PolarHBondContact O-N 3.42Å; L53-L80 HydrophobicContact CD1-CD1 4.47Å; L53-L81 CarbonylContact C-O 3.52Å; L53-L81 WeakPolarHBondContact CA-O 3.48Å; L53-F82 HydrophobicContact CD2-CB 3.82Å; L53-F82 HydrophobicContact CD2-CD2 3.85Å; L53-F82 HydrophobicContact CD2-CG 4.22Å; L53-F82 HydrophobicContact CG-CD2 4.27Å
54W96.4Very high91.9Very high10 Ų1068.2 Ų68.24%0.03832%0.319CS..EExtended strand (participates in β ladder)trans-101.6132.9167.2171.6-111.6000110.3Q59 R60 W61 L80 L81 M83 M230 Q231W54-Q59 VanDerWaalsContact CH2-CA 3.45Å; W54-Q59 HydrophobicContact CH2-CB 4Å; W54-Q59 WeakPolarHBondContact CH2-O 3.46Å; W54-Q59 VanDerWaalsContact CZ2-CA 3.44Å; W54-Q59 HydrophobicContact CZ2-CB 4.01Å; W54-Q59 HydrophobicContact CZ2-CG 4.43Å; W54-Q59 VanDerWaalsContact CZ3-C 3.45Å; W54-R60 VanDerWaalsContact CE3-O 3.27Å; W54-R60 VanDerWaalsContact CZ3-CA 3.41Å; W54-R60 VanDerWaalsContact CZ3-N 3.28Å; W54-W61 HydrophobicContact CB-CD2 4.49Å; W54-W61 HydrophobicContact CB-CE3 4.24Å; W54-W61 HydrophobicContact CB-CZ3 4.36Å; W54-W61 HydrophobicContact CE3-CB 4.45Å; W54-W61 AromaticContact CE3-CD1 3.54Å; W54-W61 AromaticContact CE3-CD2 3.91Å; W54-W61 HydrophobicContact CE3-CD2 3.91Å; W54-W61 AromaticContact CE3-CE2 3.95Å; W54-W61 AromaticContact CE3-CG 3.72Å; W54-W61 HydrophobicContact CE3-CG 3.72Å; W54-W61 AromaticContact CE3-NE1 3.64Å; W54-W61 AromaticContact CZ3-CD1 3.47Å; W54-W61 VanDerWaalsContact CZ3-CD1 3.47Å; W54-W61 HydrophobicContact CZ3-CG 4.07Å; W54-W61 AromaticContact CZ3-NE1 3.66Å; W54-L80 CarbonylContact O-C 3.58Å; W54-L80 VanDerWaalsContact O-CA 3.3Å; W54-L80 WeakPolarHBondContact O-CA 3.37Å; W54-L81 HydrophobicContact CB-CB 4.32Å; W54-L81 PolarHBondContact N-O 3.36Å; W54-L81 PolarHBondContact O-N 2.89Å; W54-M83 HydrophobicContact CB-CE 3.49Å; W54-M83 VanDerWaalsContact CB-CE 3.49Å; W54-M83 HydrophobicContact CG-CE 3.84Å; W54-M230 HydrophobicContact CB-CE 3.87Å; W54-M230 HydrophobicContact CD2-CE 2.97Å; W54-M230 HydrophobicContact CE3-CE 3.08Å; W54-M230 HydrophobicContact CG-CE 3.35Å; W54-M230 HydrophobicContact CH2-CB 4.04Å; W54-M230 HydrophobicContact CH2-CE 3.82Å; W54-M230 HydrophobicContact CZ2-CB 4.37Å; W54-M230 HydrophobicContact CZ2-CE 3.76Å; W54-M230 HydrophobicContact CZ3-CB 4.31Å; W54-M230 HydrophobicContact CZ3-CE 3.51Å; W54-Q231 HydrophobicContact CH2-CG 3.93Å; W54-Q231 HydrophobicContact CZ3-CG 4.34Å
55W95.8Very high92.3Very high21 Ų2168.9 Ų68.98%0.0833%0.326CS..EExtended strand (participates in β ladder)trans-102.2105.7173.2-174.27.9000110.3K58 Q59 R60 L62 Y72 G73 I74 L80W55-K58 HydrophobicContact CD2-CB 3.74Å; W55-K58 HydrophobicContact CD2-CG 3.6Å; W55-K58 VanDerWaalsContact CE2-CG 3.49Å; W55-K58 HydrophobicContact CE3-CB 3.83Å; W55-K58 HydrophobicContact CE3-CG 3.69Å; W55-K58 HydrophobicContact CG-CB 4.14Å; W55-K58 HydrophobicContact CG-CG 4.39Å; W55-K58 HydrophobicContact CH2-CG 3.62Å; W55-K58 HydrophobicContact CZ2-CG 3.51Å; W55-K58 HydrophobicContact CZ3-CB 4.29Å; W55-K58 HydrophobicContact CZ3-CG 3.69Å; W55-K58 PolarHBondContact O-N 2.84Å; W55-Q59 WeakPolarHBondContact O-CA 3.3Å; W55-Q59 PolarHBondContact O-N 3.31Å; W55-R60 HydrophobicContact CB-CG 4.26Å; W55-R60 HydrophobicContact CE3-CG 4.3Å; W55-R60 PolarHBondContact N-O 2.73Å; W55-R60 PolarHBondContact O-N 3.26Å; W55-L62 HydrophobicContact CB-CD2 4.47Å; W55-L62 HydrophobicContact CE3-CD2 4.43Å; W55-Y72 WeakPolarHBondContact CZ3-O 3.17Å; W55-G73 WeakPolarHBondContact CH2-O 3.24Å; W55-I74 HydrophobicContact CE3-CG1 4.1Å; W55-I74 HydrophobicContact CH2-CG1 4.17Å; W55-I74 HydrophobicContact CZ3-CG1 3.89Å; W55-L80 HydrophobicContact CB-CD2 3.72Å; W55-L80 HydrophobicContact CG-CD2 3.85Å
56D92.1Very high92.8Very high73 Ų7363 Ų6339%0.3931%0.313SS..THydrogen-bonded Turntrans-65.2-46.9-172.3-175.153.8000112.9K58 Q59 R79D56-K58 PolarHBondContact O-N 3.34Å; D56-K58 VanDerWaalsContact O-N 3.14Å; D56-Q59 PolarHBondContact O-N 3.43Å; D56-Q59 VanDerWaalsContact O-N 3.12Å; D56-Q59 PolarHBondContact O-NE2 2.91Å; D56-Q59 PolarHBondContact OD1-NE2 3.38Å; D56-Q59 VanDerWaalsContact OD1-NE2 3.15Å; D56-R79 HydrophobicContact CB-CB 4.39Å; D56-R79 PolarHBondContact N-O 2.91Å; D56-R79 VanDerWaalsContact N-O 3.11Å
57Q93.3Very high93.3Very high79 Ų7962.4 Ų62.437%0.36931%0.311SS..THydrogen-bonded Turntrans-64.5-26.5-176.9-60110.7-45.900113.8D77 R79Q57-D77 PolarHBondContact NE2-O 2.89Å; Q57-R79 VanDerWaalsContact OE1-CB 3.32Å
58K92.3Very high93.8Very high137 Ų13759 Ų5960%0.59629%0.294SS*.THydrogen-bonded Turntrans-104.30.5179.4-65-63.2-173179.10113.1W55 D56 R60W55-K58 HydrophobicContact CD2-CB 3.74Å; W55-K58 HydrophobicContact CD2-CG 3.6Å; W55-K58 VanDerWaalsContact CE2-CG 3.49Å; W55-K58 HydrophobicContact CE3-CB 3.83Å; W55-K58 HydrophobicContact CE3-CG 3.69Å; W55-K58 HydrophobicContact CG-CB 4.14Å; W55-K58 HydrophobicContact CG-CG 4.39Å; W55-K58 HydrophobicContact CH2-CG 3.62Å; W55-K58 HydrophobicContact CZ2-CG 3.51Å; W55-K58 HydrophobicContact CZ3-CB 4.29Å; W55-K58 HydrophobicContact CZ3-CG 3.69Å; W55-K58 PolarHBondContact O-N 2.84Å; D56-K58 PolarHBondContact O-N 3.34Å; D56-K58 VanDerWaalsContact O-N 3.14Å; K58-R60 VanDerWaalsContact C-N 3.31Å; K58-R60 HydrophobicContact CB-CG 4.05Å; K58-R60 PolarHBondContact O-N 3.49Å
59Q93.4Very high94Very high76 Ų7657.3 Ų57.336%0.35529%0.288SS..THydrogen-bonded Turntrans45.853.9-177.5-62.4-71.6-63.200111.9W54 W55 D56 Q231W54-Q59 VanDerWaalsContact CH2-CA 3.45Å; W54-Q59 HydrophobicContact CH2-CB 4Å; W54-Q59 WeakPolarHBondContact CH2-O 3.46Å; W54-Q59 VanDerWaalsContact CZ2-CA 3.44Å; W54-Q59 HydrophobicContact CZ2-CB 4.01Å; W54-Q59 HydrophobicContact CZ2-CG 4.43Å; W54-Q59 VanDerWaalsContact CZ3-C 3.45Å; W55-Q59 WeakPolarHBondContact O-CA 3.3Å; W55-Q59 PolarHBondContact O-N 3.31Å; D56-Q59 PolarHBondContact O-N 3.43Å; D56-Q59 VanDerWaalsContact O-N 3.12Å; D56-Q59 PolarHBondContact O-NE2 2.91Å; D56-Q59 PolarHBondContact OD1-NE2 3.38Å; D56-Q59 VanDerWaalsContact OD1-NE2 3.15Å; Q59-Q231 WeakPolarHBondContact O-CG 3.37Å; Q59-Q231 PolarHBondContact O-NE2 3.17Å
60R93.5Very high94.3Very high103 Ų10358.5 Ų58.539%0.38928%0.282SS..EExtended strand (participates in β ladder)trans-144.5147.4-179.371.8179.4-60.3171.110113.5W54 W55 K58 L62W54-R60 VanDerWaalsContact CE3-O 3.27Å; W54-R60 VanDerWaalsContact CZ3-CA 3.41Å; W54-R60 VanDerWaalsContact CZ3-N 3.28Å; W55-R60 HydrophobicContact CB-CG 4.26Å; W55-R60 HydrophobicContact CE3-CG 4.3Å; W55-R60 PolarHBondContact N-O 2.73Å; W55-R60 PolarHBondContact O-N 3.26Å; K58-R60 VanDerWaalsContact C-N 3.31Å; K58-R60 HydrophobicContact CB-CG 4.05Å; K58-R60 PolarHBondContact O-N 3.49Å; R60-L62 HydrophobicContact CG-CD2 4.49Å
61W95.1Very high94.5Very high18 Ų1862.5 Ų62.57%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-82.3146.9170.2-69.694.4000111.4A52 W54 L63 M83 Q85 F105 S106 M230A52-W61 HydrophobicContact CB-CE3 3.74Å; A52-W61 HydrophobicContact CB-CZ3 3.75Å; W54-W61 HydrophobicContact CB-CD2 4.49Å; W54-W61 HydrophobicContact CB-CE3 4.24Å; W54-W61 HydrophobicContact CB-CZ3 4.36Å; W54-W61 HydrophobicContact CE3-CB 4.45Å; W54-W61 AromaticContact CE3-CD1 3.54Å; W54-W61 AromaticContact CE3-CD2 3.91Å; W54-W61 HydrophobicContact CE3-CD2 3.91Å; W54-W61 AromaticContact CE3-CE2 3.95Å; W54-W61 AromaticContact CE3-CG 3.72Å; W54-W61 HydrophobicContact CE3-CG 3.72Å; W54-W61 AromaticContact CE3-NE1 3.64Å; W54-W61 AromaticContact CZ3-CD1 3.47Å; W54-W61 VanDerWaalsContact CZ3-CD1 3.47Å; W54-W61 HydrophobicContact CZ3-CG 4.07Å; W54-W61 AromaticContact CZ3-NE1 3.66Å; W61-L63 HydrophobicContact CB-CD1 4.26Å; W61-L63 HydrophobicContact CB-CD2 3.87Å; W61-L63 HydrophobicContact CB-CG 3.75Å; W61-L63 HydrophobicContact CE3-CD2 4.45Å; W61-L63 HydrophobicContact CG-CD2 4.49Å; W61-M83 HydrophobicContact CH2-CE 3.66Å; W61-M83 HydrophobicContact CH2-CG 3.91Å; W61-M83 HydrophobicContact CH2-SD 4.41Å; W61-M83 HydrophobicContact CZ2-CE 3.95Å; W61-M83 HydrophobicContact CZ3-CE 4.26Å; W61-M83 HydrophobicContact CZ3-CG 4.25Å; W61-Q85 HydrophobicContact CE3-CG 4.41Å; W61-Q85 HydrophobicContact CH2-CG 4.04Å; W61-Q85 HydrophobicContact CZ3-CG 3.91Å; W61-F105 HydrophobicContact CZ2-CB 4.31Å; W61-F105 PolarHBondContact NE1-O 3.3Å; W61-S106 VanDerWaalsContact NE1-CA 3.33Å; W61-M230 HydrophobicContact CD2-CE 4.25Å; W61-M230 HydrophobicContact CH2-CE 4.14Å; W61-M230 HydrophobicContact CH2-SD 4.21Å; W61-M230 HydrophobicContact CZ2-CE 3.33Å; W61-M230 HydrophobicContact CZ2-SD 3.37Å; W61-M230 WeakPolarHBondContact CZ2-SD 3.42Å
62L95.3Very high94.4Very high2 Ų262.7 Ų62.71%0.0130%0.298CS..  trans-103.167.9176.3-50.8-179.6000109.9V31 L53 W55 R60 Y72 I74 L80V31-L62 HydrophobicContact CG1-CB 4.27Å; V31-L62 HydrophobicContact CG2-CB 4.31Å; L53-L62 HydrophobicContact CB-CB 4.11Å; L53-L62 HydrophobicContact CB-CD1 3.87Å; L53-L62 HydrophobicContact CB-CG 4.22Å; L53-L62 HydrophobicContact CD1-CD1 4.26Å; L53-L62 PolarHBondContact O-N 3.42Å; W55-L62 HydrophobicContact CB-CD2 4.47Å; W55-L62 HydrophobicContact CE3-CD2 4.43Å; R60-L62 HydrophobicContact CG-CD2 4.49Å; L62-Y72 HydrophobicContact CD2-CD1 3.75Å; L62-Y72 HydrophobicContact CD2-CD2 4.43Å; L62-Y72 HydrophobicContact CD2-CE1 3.82Å; L62-Y72 HydrophobicContact CD2-CE2 4.46Å; L62-Y72 HydrophobicContact CD2-CG 4.06Å; L62-I74 HydrophobicContact CD1-CD1 3.41Å; L62-I74 VanDerWaalsContact CD1-CD1 3.41Å; L62-I74 HydrophobicContact CD2-CD1 4.13Å; L62-I74 HydrophobicContact CG-CD1 4.43Å; L62-L80 HydrophobicContact CD1-CD1 4.43Å; L62-L80 HydrophobicContact CD1-CD2 4.01Å
63L93Very high94.2Very high73 Ų7363.9 Ų63.938%0.38231%0.312SS..  trans-81.8-22.7-172.4-56.4179.5000113.7A52 W61 T65 Q85A52-L63 HydrophobicContact CB-CD2 3.86Å; W61-L63 HydrophobicContact CB-CD1 4.26Å; W61-L63 HydrophobicContact CB-CD2 3.87Å; W61-L63 HydrophobicContact CB-CG 3.75Å; W61-L63 HydrophobicContact CE3-CD2 4.45Å; W61-L63 HydrophobicContact CG-CD2 4.49Å; L63-T65 PolarHBondContact O-N 3.33Å; L63-Q85 VanDerWaalsContact CD2-OE1 3.29Å
64R93.4Very high94.1Very high169 Ų16963.9 Ų63.964%0.63831%0.312SS*.  trans-7989.1176.7-53.1-71-171.6167.2-0.4109.6A66 W67 Y72R64-A66 PolarHBondContact O-N 2.76Å; R64-W67 HydrophobicContact CB-CB 4.18Å; R64-W67 HydrophobicContact CB-CD2 3.88Å; R64-W67 HydrophobicContact CB-CG 3.69Å; R64-W67 HydrophobicContact CG-CD2 4.16Å; R64-W67 HydrophobicContact CG-CG 4.45Å; R64-W67 HydrophobicContact CG-CZ2 4.34Å; R64-W67 PolarHBondContact O-N 2.95Å; R64-W67 VanDerWaalsContact O-N 3.09Å; R64-Y72 VanDerWaalsContact CB-OH 3.24Å; R64-Y72 WeakPolarHBondContact CB-OH 3.44Å; R64-Y72 PolarHBondContact N-OH 3.31Å; R64-Y72 VanDerWaalsContact N-OH 3.16Å
65T93.5Very high93.9Very high80 Ų8068.8 Ų68.849%0.49133%0.334SS..THydrogen-bonded Turntrans-59.8-27.8-177.655.10000113.9H30 V31 G32 L63H30-T65 PolarHBondContact CD2-O 3.39Å; V31-T65 PolarHBondContact N-O 2.83Å; G32-T65 PolarHBondContact N-O 3.09Å; L63-T65 PolarHBondContact O-N 3.33Å
66A94.8Very high93.6Very high81 Ų8170.6 Ų70.667%0.66935%0.354SS*.THydrogen-bonded Turntrans-79.8-11.3178.500000114.5R64R64-A66 PolarHBondContact O-N 2.76Å
67W96.1Very high93.6Very high87 Ų8772.8 Ų72.833%0.3337%0.366SS..SBendtrans-80.4141.8179.6-75.320.3000110.9H30 V31 R64 K71 Y72H30-W67 VanDerWaalsContact CA-O 3.28Å; H30-W67 WeakPolarHBondContact CA-O 3.13Å; V31-W67 PolarHBondContact N-O 2.79Å; R64-W67 HydrophobicContact CB-CB 4.18Å; R64-W67 HydrophobicContact CB-CD2 3.88Å; R64-W67 HydrophobicContact CB-CG 3.69Å; R64-W67 HydrophobicContact CG-CD2 4.16Å; R64-W67 HydrophobicContact CG-CG 4.45Å; R64-W67 HydrophobicContact CG-CZ2 4.34Å; R64-W67 PolarHBondContact O-N 2.95Å; R64-W67 VanDerWaalsContact O-N 3.09Å; W67-K71 HydrophobicContact CB-CD 4.2Å; W67-K71 HydrophobicContact CD2-CD 3.67Å; W67-K71 HydrophobicContact CD2-CG 4.22Å; W67-K71 VanDerWaalsContact CE2-CE 3.48Å; W67-K71 VanDerWaalsContact CE2-NZ 3.29Å; W67-K71 HydrophobicContact CE3-CD 3.96Å; W67-K71 HydrophobicContact CE3-CG 3.99Å; W67-K71 HydrophobicContact CG-CD 3.77Å; W67-Y72 HydrophobicContact CB-CD2 3.91Å; W67-Y72 HydrophobicContact CB-CE2 3.41Å; W67-Y72 VanDerWaalsContact CB-CE2 3.41Å; W67-Y72 HydrophobicContact CD2-CE2 4.35Å; W67-Y72 HydrophobicContact CE3-CD1 4.13Å; W67-Y72 HydrophobicContact CE3-CD2 4.32Å; W67-Y72 AromaticContact CE3-CE1 3.71Å; W67-Y72 HydrophobicContact CE3-CE1 3.71Å; W67-Y72 AromaticContact CE3-CE2 3.94Å; W67-Y72 HydrophobicContact CE3-CE2 3.94Å; W67-Y72 HydrophobicContact CE3-CG 4.43Å; W67-Y72 AromaticContact CE3-CZ 3.62Å; W67-Y72 HydrophobicContact CG-CE2 4.23Å; W67-Y72 HydrophobicContact CZ3-CE1 4.1Å
68T96.1Very high93.6Very high42 Ų4269.2 Ų69.226%0.25835%0.35SS..BIsolated β-bridgetrans-75156.3177.862.70000111.9D28 L29 E70 K71 Y72D28-T68 VanDerWaalsContact O-CG2 3.23Å; D28-T68 WeakPolarHBondContact O-CG2 3.3Å; L29-T68 CarbonylContact O-C 3.54Å; L29-T68 WeakPolarHBondContact O-CA 3.47Å; T68-E70 PolarHBondContact O-N 2.83Å; T68-K71 PolarHBondContact O-N 3.3Å; T68-K71 VanDerWaalsContact O-N 3.14Å; T68-K71 WeakPolarHBondContact OG1-CB 3.42Å; T68-K71 PolarHBondContact OG1-N 3.41Å; T68-K71 VanDerWaalsContact OG1-N 3.14Å; T68-Y72 PolarHBondContact O-N 3.01Å
69L94.8Very high93.6Very high0 Ų070.7 Ų70.70%035%0.352CS..Hα-helixtrans-57-41172.6-67.9179.4000111.2W5 L7 V25 S27 L29 V34 K71 Y72 G73 I74W5-L69 HydrophobicContact CH2-CD1 4.14Å; W5-L69 HydrophobicContact CZ2-CD1 3.96Å; L7-L69 HydrophobicContact CD2-CD1 4.38Å; V25-L69 HydrophobicContact CB-CD1 4.07Å; V25-L69 HydrophobicContact CG2-CD1 3.82Å; S27-L69 PolarHBondContact O-N 3.17Å; L29-L69 WeakPolarHBondContact O-CG 3.35Å; L29-L69 PolarHBondContact O-N 3.27Å; V34-L69 HydrophobicContact CG2-CD1 4.02Å; V34-L69 HydrophobicContact CG2-CD2 4.09Å; V34-L69 HydrophobicContact CG2-CG 4.24Å; L69-K71 PolarHBondContact O-N 3.34Å; L69-Y72 CarbonylContact O-C 3.53Å; L69-Y72 PolarHBondContact O-N 3.33Å; L69-G73 PolarHBondContact O-N 3.1Å; L69-I74 HydrophobicContact CB-CB 4.25Å; L69-I74 HydrophobicContact CD2-CB 4.04Å; L69-I74 HydrophobicContact CD2-CD1 3.78Å; L69-I74 HydrophobicContact CD2-CG2 3.99Å; L69-I74 PolarHBondContact O-N 2.94Å
70E93.8Very high93.7Very high118 Ų11867.3 Ų67.355%0.55134%0.336SS*.Hα-helixtrans-58.6-43.8174.3-176.4175.8-159.400112.3S27 T68 Y72 G73S27-E70 WeakPolarHBondContact O-CB 3.48Å; S27-E70 PolarHBondContact O-N 3.46Å; T68-E70 PolarHBondContact O-N 2.83Å; E70-Y72 VanDerWaalsContact C-N 3.26Å; E70-Y72 PolarHBondContact O-N 3.13Å; E70-G73 WeakPolarHBondContact O-CA 3.3Å; E70-G73 PolarHBondContact O-N 2.79Å
71K94.1Very high93.8Very high123 Ų12364.4 Ų64.454%0.53533%0.328SS..Hα-helixtrans-63.8-32.3178.8-175.6171.3-179.4179.70112.6W67 T68 L69 G73W67-K71 HydrophobicContact CB-CD 4.2Å; W67-K71 HydrophobicContact CD2-CD 3.67Å; W67-K71 HydrophobicContact CD2-CG 4.22Å; W67-K71 VanDerWaalsContact CE2-CE 3.48Å; W67-K71 VanDerWaalsContact CE2-NZ 3.29Å; W67-K71 HydrophobicContact CE3-CD 3.96Å; W67-K71 HydrophobicContact CE3-CG 3.99Å; W67-K71 HydrophobicContact CG-CD 3.77Å; T68-K71 PolarHBondContact O-N 3.3Å; T68-K71 VanDerWaalsContact O-N 3.14Å; T68-K71 WeakPolarHBondContact OG1-CB 3.42Å; T68-K71 PolarHBondContact OG1-N 3.41Å; T68-K71 VanDerWaalsContact OG1-N 3.14Å; L69-K71 PolarHBondContact O-N 3.34Å; K71-G73 VanDerWaalsContact C-N 3.33Å
72Y91.7Very high93.9Very high19 Ų1963.6 Ų63.68%0.07533%0.325CS..Hα-helixtrans-81.1-12.4171.6-79.6-71.4000113.5V31 W55 L62 R64 W67 T68 L69 E70 I74V31-Y72 HydrophobicContact CG2-CD2 3.9Å; V31-Y72 HydrophobicContact CG2-CE2 3.65Å; W55-Y72 WeakPolarHBondContact CZ3-O 3.17Å; L62-Y72 HydrophobicContact CD2-CD1 3.75Å; L62-Y72 HydrophobicContact CD2-CD2 4.43Å; L62-Y72 HydrophobicContact CD2-CE1 3.82Å; L62-Y72 HydrophobicContact CD2-CE2 4.46Å; L62-Y72 HydrophobicContact CD2-CG 4.06Å; R64-Y72 VanDerWaalsContact CB-OH 3.24Å; R64-Y72 WeakPolarHBondContact CB-OH 3.44Å; R64-Y72 PolarHBondContact N-OH 3.31Å; R64-Y72 VanDerWaalsContact N-OH 3.16Å; W67-Y72 HydrophobicContact CB-CD2 3.91Å; W67-Y72 HydrophobicContact CB-CE2 3.41Å; W67-Y72 VanDerWaalsContact CB-CE2 3.41Å; W67-Y72 HydrophobicContact CD2-CE2 4.35Å; W67-Y72 HydrophobicContact CE3-CD1 4.13Å; W67-Y72 HydrophobicContact CE3-CD2 4.32Å; W67-Y72 AromaticContact CE3-CE1 3.71Å; W67-Y72 HydrophobicContact CE3-CE1 3.71Å; W67-Y72 AromaticContact CE3-CE2 3.94Å; W67-Y72 HydrophobicContact CE3-CE2 3.94Å; W67-Y72 HydrophobicContact CE3-CG 4.43Å; W67-Y72 AromaticContact CE3-CZ 3.62Å; W67-Y72 HydrophobicContact CG-CE2 4.23Å; W67-Y72 HydrophobicContact CZ3-CE1 4.1Å; T68-Y72 PolarHBondContact O-N 3.01Å; L69-Y72 CarbonylContact O-C 3.53Å; L69-Y72 PolarHBondContact O-N 3.33Å; E70-Y72 VanDerWaalsContact C-N 3.26Å; E70-Y72 PolarHBondContact O-N 3.13Å; Y72-I74 HydrophobicContact CG-CD1 4.31Å
73G93.6Very high93.9Very high31 Ų3163.8 Ų63.832%0.3233%0.326SS..THydrogen-bonded Turntrans70.133.6-172.700000113.1W55 L69 E70 K71 H75W55-G73 WeakPolarHBondContact CH2-O 3.24Å; L69-G73 PolarHBondContact O-N 3.1Å; E70-G73 WeakPolarHBondContact O-CA 3.3Å; E70-G73 PolarHBondContact O-N 2.79Å; K71-G73 VanDerWaalsContact C-N 3.33Å; G73-H75 PolarHBondContact O-CD2 3.37Å
74I94.2Very high93.9Very high0 Ų061.3 Ų61.30%031%0.314CS..  trans-86.5128.5179.7-65.3168.8000109.5W5 L7 W55 L62 L69 Y72 A78 L80W5-I74 HydrophobicContact CH2-CG2 4.25Å; L7-I74 HydrophobicContact CD1-CG2 4.31Å; W55-I74 HydrophobicContact CE3-CG1 4.1Å; W55-I74 HydrophobicContact CH2-CG1 4.17Å; W55-I74 HydrophobicContact CZ3-CG1 3.89Å; L62-I74 HydrophobicContact CD1-CD1 3.41Å; L62-I74 VanDerWaalsContact CD1-CD1 3.41Å; L62-I74 HydrophobicContact CD2-CD1 4.13Å; L62-I74 HydrophobicContact CG-CD1 4.43Å; L69-I74 HydrophobicContact CB-CB 4.25Å; L69-I74 HydrophobicContact CD2-CB 4.04Å; L69-I74 HydrophobicContact CD2-CD1 3.78Å; L69-I74 HydrophobicContact CD2-CG2 3.99Å; L69-I74 PolarHBondContact O-N 2.94Å; Y72-I74 HydrophobicContact CG-CD1 4.31Å; I74-A78 HydrophobicContact CG2-CB 3.69Å; I74-L80 HydrophobicContact CG2-CD1 4.47Å
75H91.4Very high94Very high112 Ų11254.8 Ų54.852%0.51929%0.291SS..  trans-126-179.9178.7-57.1-63.5000110.8G73 D77 A78G73-H75 PolarHBondContact O-CD2 3.37Å; H75-D77 PolarHBondContact O-N 2.96Å; H75-D77 VanDerWaalsContact O-N 3.13Å; H75-A78 VanDerWaalsContact O-CB 3.26Å; H75-A78 WeakPolarHBondContact O-CB 3.34Å; H75-A78 PolarHBondContact O-N 2.78Å
76A90.1Very high94.1Very high59 Ų5953.3 Ų53.349%0.48828%0.278SS..THydrogen-bonded Turntrans-60-22.7-174.400000115W5W5-A76 HydrophobicContact CD2-CB 4.44Å; W5-A76 HydrophobicContact CE3-CB 3.69Å; W5-A76 VanDerWaalsContact CZ3-CA 3.41Å; W5-A76 HydrophobicContact CZ3-CB 4.12Å
77D91.2Very high94.1Very high120 Ų12049.9 Ų49.964%0.64225%0.248SC*.THydrogen-bonded Turntrans-87.4-2.3178.967.4-34.2000113.7Q57 H75 R79Q57-D77 PolarHBondContact NE2-O 2.89Å; H75-D77 PolarHBondContact O-N 2.96Å; H75-D77 VanDerWaalsContact O-N 3.13Å; D77-R79 PolarHBondContact O-N 2.9Å
78A93.6Very high94.1Very high4 Ų447 Ų473%0.03324%0.24CC..  trans-65.2128.617900000111.7I74 H75 L80I74-A78 HydrophobicContact CG2-CB 3.69Å; H75-A78 VanDerWaalsContact O-CB 3.26Å; H75-A78 WeakPolarHBondContact O-CB 3.34Å; H75-A78 PolarHBondContact O-N 2.78Å; A78-L80 HydrophobicContact CB-CD2 4.41Å; A78-L80 HydrophobicContact CB-CG 4.35Å; A78-L80 PolarHBondContact O-N 2.99Å
79R92.7Very high94.1Very high168 Ų16845 Ų4563%0.63423%0.228SC*.  trans-94.797.1175.3-64.4169.5-170.9-179.40.8107.8D56 Q57 D77D56-R79 HydrophobicContact CB-CB 4.39Å; D56-R79 PolarHBondContact N-O 2.91Å; D56-R79 VanDerWaalsContact N-O 3.11Å; Q57-R79 VanDerWaalsContact OE1-CB 3.32Å; D77-R79 PolarHBondContact O-N 2.9Å
80L96Very high94.2Very high5 Ų548 Ų483%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-100.6140.4178.4-57.7-176.5000110.6L7 V9 K10 L53 W54 W55 L62 I74 A78L7-L80 HydrophobicContact CD1-CD1 3.93Å; L7-L80 HydrophobicContact CD1-CG 4.49Å; L7-L80 HydrophobicContact CD2-CD1 3.96Å; L7-L80 HydrophobicContact CG-CD1 4.33Å; V9-L80 WeakPolarHBondContact CA-O 3.48Å; V9-L80 HydrophobicContact CB-CB 4.47Å; V9-L80 HydrophobicContact CG1-CB 4.03Å; V9-L80 HydrophobicContact CG2-CB 4.13Å; V9-L80 HydrophobicContact CG2-CD1 4.37Å; K10-L80 PolarHBondContact N-O 3.32Å; L53-L80 HydrophobicContact CD1-CD1 4.47Å; W54-L80 CarbonylContact O-C 3.58Å; W54-L80 VanDerWaalsContact O-CA 3.3Å; W54-L80 WeakPolarHBondContact O-CA 3.37Å; W55-L80 HydrophobicContact CB-CD2 3.72Å; W55-L80 HydrophobicContact CG-CD2 3.85Å; L62-L80 HydrophobicContact CD1-CD1 4.43Å; L62-L80 HydrophobicContact CD1-CD2 4.01Å; I74-L80 HydrophobicContact CG2-CD1 4.47Å; A78-L80 HydrophobicContact CB-CD2 4.41Å; A78-L80 HydrophobicContact CB-CG 4.35Å; A78-L80 PolarHBondContact O-N 2.99Å
81L95.7Very high94.4Very high41 Ų4142.4 Ų42.422%0.21522%0.215CC..EExtended strand (participates in β ladder)trans-119.1122.3173177.162.6000108.4K10 E12 L53 W54 M83K10-L81 HydrophobicContact CB-CD1 3.87Å; K10-L81 HydrophobicContact CD-CD1 4.19Å; K10-L81 HydrophobicContact CG-CD1 3.89Å; K10-L81 CarbonylContact O-C 3.5Å; K10-L81 WeakPolarHBondContact O-CA 3.29Å; E12-L81 HydrophobicContact CB-CD1 4.36Å; L53-L81 CarbonylContact C-O 3.52Å; L53-L81 WeakPolarHBondContact CA-O 3.48Å; W54-L81 HydrophobicContact CB-CB 4.32Å; W54-L81 PolarHBondContact N-O 3.36Å; W54-L81 PolarHBondContact O-N 2.89Å; L81-M83 HydrophobicContact CD2-CE 3.66Å; L81-M83 HydrophobicContact CD2-CG 4.34Å; L81-M83 HydrophobicContact CD2-SD 3.44Å; L81-M83 WeakPolarHBondContact CD2-SD 3.28Å; L81-M83 HydrophobicContact CG-CB 4.29Å; L81-M83 HydrophobicContact CG-CE 4.16Å; L81-M83 HydrophobicContact CG-CG 4.13Å; L81-M83 HydrophobicContact CG-SD 3.89Å
82F96.4Very high94.5Very high1 Ų136.6 Ų36.60%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-97.1115.8173-173.4-125.6000109V9 K10 V11 E12 I35 V39 W48 H51 L53V9-F82 HydrophobicContact CG1-CB 3.93Å; K10-F82 PolarHBondContact O-N 2.92Å; V11-F82 HydrophobicContact CG1-CD1 4.15Å; V11-F82 HydrophobicContact CG2-CB 4.32Å; V11-F82 HydrophobicContact CG2-CD1 4.36Å; E12-F82 PolarHBondContact N-O 2.91Å; I35-F82 HydrophobicContact CD1-CE2 4.41Å; I35-F82 HydrophobicContact CG1-CE2 4.07Å; I35-F82 HydrophobicContact CG2-CE2 3.93Å; I35-F82 HydrophobicContact CG2-CZ 3.84Å; V39-F82 HydrophobicContact CG2-CE1 4.31Å; V39-F82 HydrophobicContact CG2-CZ 4.41Å; W48-F82 HydrophobicContact CD2-CE1 4.2Å; W48-F82 HydrophobicContact CE3-CD1 4.41Å; W48-F82 AromaticContact CE3-CE1 3.43Å; W48-F82 HydrophobicContact CE3-CE1 3.43Å; W48-F82 VanDerWaalsContact CE3-CE1 3.43Å; W48-F82 AromaticContact CE3-CZ 3.92Å; W48-F82 HydrophobicContact CE3-CZ 3.92Å; W48-F82 HydrophobicContact CH2-CE1 4.25Å; W48-F82 HydrophobicContact CZ3-CD1 4.07Å; W48-F82 AromaticContact CZ3-CE1 3.48Å; W48-F82 HydrophobicContact CZ3-CE1 3.48Å; W48-F82 VanDerWaalsContact CZ3-CE1 3.48Å; W48-F82 HydrophobicContact CZ3-CZ 4.4Å; H51-F82 HydrophobicContact CB-CD2 4.19Å; H51-F82 HydrophobicContact CB-CE1 4.05Å; H51-F82 HydrophobicContact CB-CE2 3.42Å; H51-F82 VanDerWaalsContact CB-CE2 3.42Å; H51-F82 HydrophobicContact CB-CZ 3.34Å; L53-F82 HydrophobicContact CD2-CB 3.82Å; L53-F82 HydrophobicContact CD2-CD2 3.85Å; L53-F82 HydrophobicContact CD2-CG 4.22Å; L53-F82 HydrophobicContact CG-CD2 4.27Å
83M95.1Very high94.7Very high6 Ų635.8 Ų35.83%0.0319%0.187CC..EExtended strand (participates in β ladder)trans-155.8160.4-17264.4176.1161.800111.7E12 H51 A52 W54 W61 L81 M230E12-M83 HydrophobicContact CB-CB 3.7Å; E12-M83 HydrophobicContact CG-CB 4.36Å; H51-M83 WeakPolarHBondContact CA-O 3.36Å; A52-M83 PolarHBondContact N-O 3.42Å; A52-M83 PolarHBondContact O-N 2.88Å; W54-M83 HydrophobicContact CB-CE 3.49Å; W54-M83 VanDerWaalsContact CB-CE 3.49Å; W54-M83 HydrophobicContact CG-CE 3.84Å; W61-M83 HydrophobicContact CH2-CE 3.66Å; W61-M83 HydrophobicContact CH2-CG 3.91Å; W61-M83 HydrophobicContact CH2-SD 4.41Å; W61-M83 HydrophobicContact CZ2-CE 3.95Å; W61-M83 HydrophobicContact CZ3-CE 4.26Å; W61-M83 HydrophobicContact CZ3-CG 4.25Å; L81-M83 HydrophobicContact CD2-CE 3.66Å; L81-M83 HydrophobicContact CD2-CG 4.34Å; L81-M83 HydrophobicContact CD2-SD 3.44Å; L81-M83 WeakPolarHBondContact CD2-SD 3.28Å; L81-M83 HydrophobicContact CG-CB 4.29Å; L81-M83 HydrophobicContact CG-CE 4.16Å; L81-M83 HydrophobicContact CG-CG 4.13Å; L81-M83 HydrophobicContact CG-SD 3.89Å; M83-M230 HydrophobicContact CE-CE 3.19Å; M83-M230 HydrophobicContact CE-SD 3.27Å; M83-M230 WeakPolarHBondContact CE-SD 3.37Å; M83-M230 HydrophobicContact SD-SD 4.33Å
84P94.6Very high94.8Very high21 Ų2134.6 Ų34.614%0.13617%0.173CC..EExtended strand (participates in β ladder)trans-60.4143172.125.6-35.5000111.8E12 D50E12-P84 WeakPolarHBondContact OE1-CD 3.39Å; D50-P84 WeakPolarHBondContact OD2-CB 3.36Å
85Q94.6Very high94.6Very high33 Ų3335 Ų3515%0.15418%0.176CC..SBendtrans-80.1-32.8175.9-68.7171.68800111.8D50 A52 W61 L63 F105 S106D50-Q85 WeakPolarHBondContact O-CB 3.45Å; D50-Q85 VanDerWaalsContact O-CG 3.27Å; D50-Q85 WeakPolarHBondContact O-CG 3.46Å; D50-Q85 PolarHBondContact O-N 3.47Å; D50-Q85 PolarHBondContact O-NE2 3.29Å; D50-Q85 VanDerWaalsContact O-NE2 3.11Å; D50-Q85 PolarHBondContact OD2-N 2.74Å; A52-Q85 HydrophobicContact CB-CG 3.74Å; W61-Q85 HydrophobicContact CE3-CG 4.41Å; W61-Q85 HydrophobicContact CH2-CG 4.04Å; W61-Q85 HydrophobicContact CZ3-CG 3.91Å; L63-Q85 VanDerWaalsContact CD2-OE1 3.29Å; Q85-F105 PolarHBondContact O-N 3.24Å; Q85-S106 PolarHBondContact OE1-OG 3.06Å
86H94.6Very high94.5Very high48 Ų4831.7 Ų31.722%0.22217%0.173CC..EExtended strand (participates in β ladder)trans-93.7119.9176.7-66.579.7000110.5D50 K102 A103 L157D50-H86 IonicContact OD1-CE1 3.74Å; D50-H86 IonicContact OD1-CG 2.71Å; D50-H86 IonicContact OD1-ND1 3.89Å; D50-H86 PolarHBondContact OD1-ND1 3.28Å; D50-H86 WeakPolarHBondContact OD2-CB 3.29Å; D50-H86 IonicContact OD2-CG 2.7Å; D50-H86 PolarHBondContact OD2-N 2.95Å; D50-H86 IonicContact OD2-ND1 2.67Å; H86-K102 HydrophobicContact CB-CB 4.47Å; H86-A103 VanDerWaalsContact CA-O 3.28Å; H86-A103 WeakPolarHBondContact CA-O 3.33Å; H86-L157 HydrophobicContact CB-CD1 3.96Å; H86-L157 VanDerWaalsContact CD2-CD2 3.49Å; H86-L157 WeakPolarHBondContact CD2-CD2 3.26Å; H86-L157 VanDerWaalsContact CG-CD1 3.49Å
87K94.9Very high94.7Very high9 Ų931.3 Ų31.34%0.03916%0.16CC..EExtended strand (participates in β ladder)trans-128.2148.2-177.7-70.5171.9170-71.90110.5E12 L89 A103 F105 E236E12-K87 IonicContact OE1-NZ 3.28Å; E12-K87 PolarHBondContact OE1-NZ 2.98Å; E12-K87 IonicContact OE2-NZ 3.14Å; E12-K87 PolarHBondContact OE2-NZ 3.11Å; K87-L89 PolarHBondContact O-N 3.43Å; K87-A103 PolarHBondContact N-O 2.83Å; K87-A103 PolarHBondContact O-N 3.46Å; K87-F105 HydrophobicContact CB-CD2 3.72Å; K87-F105 HydrophobicContact CB-CE2 3.56Å; K87-F105 HydrophobicContact CB-CG 4.35Å; K87-F105 HydrophobicContact CB-CZ 4.02Å; K87-F105 HydrophobicContact CD-CD1 4.3Å; K87-F105 HydrophobicContact CD-CD2 4.44Å; K87-F105 HydrophobicContact CD-CG 4.24Å; K87-F105 HydrophobicContact CG-CD2 4.45Å; K87-E236 HydrophobicContact CB-CB 4.38Å; K87-E236 HydrophobicContact CB-CG 4.09Å; K87-E236 HydrophobicContact CD-CB 4.32Å; K87-E236 IonicContact NZ-OE2 2.66Å; K87-E236 PolarHBondContact NZ-OE2 2.92Å
88P96Very high94.9Very high26 Ų2625.7 Ų25.717%0.16913%0.13CC..EExtended strand (participates in β ladder)trans-54.9134.4172-26.734.1000112.4L101 T153 E236 N237P88-L101 CarbonylContact C-O 3.54Å; P88-L101 WeakPolarHBondContact CA-O 3.18Å; P88-T153 HydrophobicContact CB-CG2 4.41Å; P88-E236 HydrophobicContact CB-CG 4.49Å; P88-E236 WeakPolarHBondContact CD-OE1 3.39Å; P88-E236 HydrophobicContact CG-CG 4.46Å; P88-N237 PolarHBondContact O-N 3.37Å
89L96.5Very high95Very high0 Ų025.5 Ų25.50%013%0.128CC..EExtended strand (participates in β ladder)trans-135.1134.9177.1-177.774.7000108.9K87 M100 L101 A103 F105 I116 I234 D238 L240K87-L89 PolarHBondContact O-N 3.43Å; L89-M100 WeakPolarHBondContact O-CA 3.21Å; L89-L101 PolarHBondContact N-O 3.47Å; L89-L101 PolarHBondContact O-N 3.44Å; L89-A103 HydrophobicContact CB-CB 4.03Å; L89-A103 HydrophobicContact CD2-CB 3.91Å; L89-F105 HydrophobicContact CD1-CZ 4.29Å; L89-I116 HydrophobicContact CD2-CD1 4.47Å; L89-I234 HydrophobicContact CD1-CG2 4.1Å; L89-D238 WeakPolarHBondContact CD1-O 3.39Å; L89-L240 HydrophobicContact CD1-CD1 3.97Å; L89-L240 HydrophobicContact CD1-CG 4.2Å; L89-L240 HydrophobicContact CD2-CD1 4.08Å
90K97.3Very high95.1Very high65 Ų6519.2 Ų19.228%0.28311%0.107SC..EExtended strand (participates in β ladder)trans-88.8117173.2-65.1177.2-174.3174.20109T98 I149 D238 R239 L240K90-T98 HydrophobicContact CB-CG2 4.21Å; K90-I149 HydrophobicContact CD-CD1 4.44Å; K90-D238 PolarHBondContact N-O 3.27Å; K90-R239 HydrophobicContact CB-CB 4.39Å; K90-R239 CarbonylContact O-C 3.27Å; K90-R239 VanDerWaalsContact O-CA 3.28Å; K90-R239 WeakPolarHBondContact O-CA 3.49Å; K90-L240 PolarHBondContact O-N 3.21Å
91L97.3Very high95.1Very high0 Ų019 Ų190%011%0.106CC..EExtended strand (participates in β ladder)trans-111110.5-177.3-165.771.5000110L93 T98 V99 L101 I116 L120 L130 L240 L242L91-L93 HydrophobicContact CD2-CD2 4.31Å; L91-T98 WeakPolarHBondContact O-CA 3.18Å; L91-V99 HydrophobicContact CB-CG2 3.8Å; L91-V99 HydrophobicContact CD2-CG2 4.26Å; L91-V99 PolarHBondContact N-O 3.32Å; L91-V99 PolarHBondContact O-N 2.88Å; L91-L101 HydrophobicContact CD2-CD2 3.99Å; L91-I116 HydrophobicContact CD2-CG2 3.48Å; L91-I116 VanDerWaalsContact CD2-CG2 3.48Å; L91-L120 HydrophobicContact CD2-CD1 4.05Å; L91-L130 HydrophobicContact CD1-CD2 3.55Å; L91-L240 CarbonylContact C-O 3.54Å; L91-L240 WeakPolarHBondContact CA-O 3.41Å; L91-L240 HydrophobicContact CD1-CB 4.42Å; L91-L242 HydrophobicContact CD1-CB 3.91Å; L91-L242 HydrophobicContact CD2-CB 3.92Å; L91-L242 HydrophobicContact CD2-CD2 4.12Å; L91-L242 HydrophobicContact CG-CB 3.9Å
92G96.6Very high95Very high0 Ų020.4 Ų20.40%011%0.11CC..EExtended strand (participates in β ladder)trans-75.6127.7168.200000110.2L240 W241 L242G92-L240 PolarHBondContact N-O 2.82Å; G92-W241 VanDerWaalsContact CA-CE3 3.45Å; G92-W241 WeakPolarHBondContact O-CA 3.03Å; G92-L242 PolarHBondContact O-N 3.48Å
93L96.8Very high95Very high2 Ų220.5 Ų20.51%0.0111%0.111CC..  trans-93.4162-179.5-61.1176.3000111.5L91 S95 G96 K97 V99 L120 M190 L191 L242L91-L93 HydrophobicContact CD2-CD2 4.31Å; L93-S95 PolarHBondContact O-N 2.66Å; L93-G96 PolarHBondContact O-N 3.21Å; L93-K97 PolarHBondContact N-O 3.32Å; L93-V99 HydrophobicContact CD1-CG1 3.79Å; L93-V99 HydrophobicContact CD2-CG2 4.36Å; L93-V99 HydrophobicContact CG-CG1 4.44Å; L93-V99 HydrophobicContact CG-CG2 4.47Å; L93-L120 HydrophobicContact CD2-CD1 4.04Å; L93-M190 HydrophobicContact CD1-CE 4.19Å; L93-M190 HydrophobicContact CD1-SD 4.23Å; L93-L191 HydrophobicContact CD1-CD2 3.32Å; L93-L242 HydrophobicContact CD2-CD2 4.31Å
94P94.8Very high95Very high6 Ų620.7 Ų20.74%0.03911%0.113CC..THydrogen-bonded Turntrans-55.9-29.2172.3-28.937.6000114.8G96 L242 Q263 E266 Q267 W270P94-G96 PolarHBondContact O-N 3.29Å; P94-L242 WeakPolarHBondContact CD-O 3.38Å; P94-Q263 HydrophobicContact CB-CB 4.5Å; P94-Q263 VanDerWaalsContact CB-O 3.28Å; P94-Q263 WeakPolarHBondContact CB-O 3.41Å; P94-Q263 HydrophobicContact CG-CB 4.22Å; P94-E266 HydrophobicContact CB-CB 4.35Å; P94-Q267 HydrophobicContact CB-CB 3.96Å; P94-W270 VanDerWaalsContact O-CD1 3.27Å
95S91.4Very high95Very high9 Ų919.7 Ų19.76%0.06311%0.106CC..THydrogen-bonded Turntrans-63.9-14.3173.665.40000114.3L93 K97L93-S95 PolarHBondContact O-N 2.66Å; S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact OG-N 3.34Å
96G89.2Confident95Very high43 Ų4318.6 Ų18.644%0.44310%0.102SC..SBendtrans87.7-3.5-173.300000114L93 P94L93-G96 PolarHBondContact O-N 3.21Å; P94-G96 PolarHBondContact O-N 3.29Å
97K92.9Very high95Very high51 Ų5118.7 Ų18.722%0.22210%0.104CC..  trans-81159.2173.2-61.6-61.2-160.91650111.4L93 S95 E148 Y150 M190 Q195L93-K97 PolarHBondContact N-O 3.32Å; S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact OG-N 3.34Å; K97-E148 IonicContact NZ-OE2 3.6Å; K97-E148 PolarHBondContact NZ-OE2 2.95Å; K97-Y150 HydrophobicContact CB-CE2 4.26Å; K97-Y150 HydrophobicContact CD-CE2 4.15Å; K97-Y150 HydrophobicContact CG-CE2 4.38Å; K97-M190 HydrophobicContact CB-CE 4.47Å; K97-M190 HydrophobicContact CB-CG 4.45Å; K97-M190 HydrophobicContact CB-SD 3.58Å; K97-M190 VanDerWaalsContact CB-SD 3.58Å; K97-M190 HydrophobicContact CG-CG 4.05Å; K97-M190 HydrophobicContact CG-SD 3.71Å; K97-Q195 VanDerWaalsContact CE-OE1 3.3Å
98T95.1Very high95Very high1 Ų119.9 Ų19.91%0.00611%0.113CC..EExtended strand (participates in β ladder)trans-119.3127.9179.6-60.80000110.2K90 L91 E147 I149 Y150 R239K90-T98 HydrophobicContact CB-CG2 4.21Å; L91-T98 WeakPolarHBondContact O-CA 3.18Å; T98-E147 WeakPolarHBondContact CB-OE1 3.49Å; T98-E147 PolarHBondContact OG1-OE1 2.64Å; T98-I149 HydrophobicContact CG2-CG1 4.34Å; T98-I149 WeakPolarHBondContact O-CA 3.43Å; T98-Y150 PolarHBondContact O-N 3Å; T98-R239 PolarHBondContact OG1-NH2 3.3Å
99V95.6Very high95Very high0 Ų018.6 Ų18.60%011%0.105CC..EExtended strand (participates in β ladder)trans-109.1144.3171.4-57.90000109.6L91 L93 L101 L120 Y150 L152 M190L91-V99 HydrophobicContact CB-CG2 3.8Å; L91-V99 HydrophobicContact CD2-CG2 4.26Å; L91-V99 PolarHBondContact N-O 3.32Å; L91-V99 PolarHBondContact O-N 2.88Å; L93-V99 HydrophobicContact CD1-CG1 3.79Å; L93-V99 HydrophobicContact CD2-CG2 4.36Å; L93-V99 HydrophobicContact CG-CG1 4.44Å; L93-V99 HydrophobicContact CG-CG2 4.47Å; V99-L101 HydrophobicContact CG2-CD2 4.11Å; V99-L120 HydrophobicContact CG2-CD2 4.46Å; V99-Y150 CarbonylContact C-O 3.58Å; V99-Y150 VanDerWaalsContact CA-O 3.26Å; V99-Y150 WeakPolarHBondContact CA-O 3.44Å; V99-L152 HydrophobicContact CB-CD1 4.19Å; V99-L152 HydrophobicContact CG1-CD1 4.4Å; V99-M190 HydrophobicContact CG1-CE 3.69Å
100M96.4Very high95Very high37 Ų3718.9 Ų18.918%0.18211%0.106CC..EExtended strand (participates in β ladder)trans-106.5123.5170.6-173.1171.866.400108.3L89 I149 Y150 D151 L152 T153L89-M100 WeakPolarHBondContact O-CA 3.21Å; M100-I149 HydrophobicContact CB-CG2 3.71Å; M100-Y150 PolarHBondContact N-O 3.09Å; M100-D151 HydrophobicContact CE-CB 4.36Å; M100-D151 VanDerWaalsContact CE-CG 3.45Å; M100-D151 WeakPolarHBondContact CE-OD2 3.3Å; M100-L152 WeakPolarHBondContact O-CA 3.23Å; M100-L152 WeakPolarHBondContact O-CB 3.42Å; M100-L152 PolarHBondContact O-N 2.79Å; M100-T153 HydrophobicContact CE-CG2 4.03Å; M100-T153 HydrophobicContact CG-CG2 3.8Å; M100-T153 HydrophobicContact SD-CG2 4.49Å
101L95.2Very high94.8Very high0 Ų017.9 Ų17.90%010%0.102CC..EExtended strand (participates in β ladder)trans-140.5162.3-177.457.677.6000111.2P88 L89 L91 V99 A103 I116 M119 L152P88-L101 CarbonylContact C-O 3.54Å; P88-L101 WeakPolarHBondContact CA-O 3.18Å; L89-L101 PolarHBondContact N-O 3.47Å; L89-L101 PolarHBondContact O-N 3.44Å; L91-L101 HydrophobicContact CD2-CD2 3.99Å; V99-L101 HydrophobicContact CG2-CD2 4.11Å; L101-A103 HydrophobicContact CD1-CB 3.92Å; L101-I116 HydrophobicContact CD1-CD1 4.34Å; L101-I116 HydrophobicContact CD1-CG1 3.9Å; L101-I116 HydrophobicContact CD2-CG1 4.42Å; L101-I116 HydrophobicContact CD2-CG2 4.1Å; L101-M119 HydrophobicContact CB-SD 3.77Å; L101-M119 HydrophobicContact CD2-SD 4.25Å; L101-L152 HydrophobicContact CB-CB 4.07Å
102K94.4Very high94.7Very high71 Ų7118.1 Ų18.131%0.30910%0.103SC..EExtended strand (participates in β ladder)trans-84113.7171.4-74.6178.5-178.1144.60109.7H86 T153 L157H86-K102 HydrophobicContact CB-CB 4.47Å; K102-T153 VanDerWaalsContact CD-O 3.28Å; K102-T153 WeakPolarHBondContact CD-O 3.42Å; K102-T153 WeakPolarHBondContact CE-O 3.41Å; K102-T153 HydrophobicContact CG-CG2 4.4Å; K102-T153 PolarHBondContact NZ-O 2.64Å; K102-L157 HydrophobicContact CB-CD2 4.25Å
103A95Very high94.7Very high3 Ų318.2 Ų18.23%0.02510%0.104CC..EExtended strand (participates in β ladder)trans-106151.6175.600000110.4H86 K87 L89 L101 F105 T112 I116 L229H86-A103 VanDerWaalsContact CA-O 3.28Å; H86-A103 WeakPolarHBondContact CA-O 3.33Å; K87-A103 PolarHBondContact N-O 2.83Å; K87-A103 PolarHBondContact O-N 3.46Å; L89-A103 HydrophobicContact CB-CB 4.03Å; L89-A103 HydrophobicContact CD2-CB 3.91Å; L101-A103 HydrophobicContact CD1-CB 3.92Å; A103-F105 HydrophobicContact CB-CE2 4.31Å; A103-F105 VanDerWaalsContact O-CD2 3.31Å; A103-F105 WeakPolarHBondContact O-CD2 3.12Å; A103-T112 HydrophobicContact CB-CG2 4.02Å; A103-I116 HydrophobicContact CB-CD1 4.33Å; A103-L229 HydrophobicContact CB-CD1 4.35Å
104C94.9Very high94.6Very high9 Ų918.2 Ų18.26%0.06110%0.104CC..EExtended strand (participates in β ladder)trans-80.9121.4174.6-174.50000110.8S106 N107 T112C104-S106 PolarHBondContact SG-OG 2.87Å; C104-N107 HydrophobicContact CB-CB 4.29Å; C104-N107 PolarHBondContact SG-N 3.07Å; C104-N107 VanDerWaalsContact SG-N 3.42Å; C104-T112 WeakPolarHBondContact O-CG2 3.26Å; C104-T112 PolarHBondContact O-OG1 3.49Å
105F96.4Very high94.4Very high1 Ų119.5 Ų19.50%0.00412%0.118CC..SBendtrans-92.9-6.4179.6-79.1-121.5000112.9W61 Q85 K87 L89 A103 C228 L229 M230 I234W61-F105 HydrophobicContact CZ2-CB 4.31Å; W61-F105 PolarHBondContact NE1-O 3.3Å; Q85-F105 PolarHBondContact O-N 3.24Å; K87-F105 HydrophobicContact CB-CD2 3.72Å; K87-F105 HydrophobicContact CB-CE2 3.56Å; K87-F105 HydrophobicContact CB-CG 4.35Å; K87-F105 HydrophobicContact CB-CZ 4.02Å; K87-F105 HydrophobicContact CD-CD1 4.3Å; K87-F105 HydrophobicContact CD-CD2 4.44Å; K87-F105 HydrophobicContact CD-CG 4.24Å; K87-F105 HydrophobicContact CG-CD2 4.45Å; L89-F105 HydrophobicContact CD1-CZ 4.29Å; A103-F105 HydrophobicContact CB-CE2 4.31Å; A103-F105 VanDerWaalsContact O-CD2 3.31Å; A103-F105 WeakPolarHBondContact O-CD2 3.12Å; F105-C228 WeakPolarHBondContact O-CB 3.44Å; F105-C228 PolarHBondContact O-SG 2.81Å; F105-C228 VanDerWaalsContact O-SG 3.36Å; F105-L229 HydrophobicContact CD1-CB 3.94Å; F105-L229 HydrophobicContact CD1-CD1 4.37Å; F105-L229 HydrophobicContact CD2-CD1 3.9Å; F105-L229 HydrophobicContact CE1-CB 4.35Å; F105-L229 HydrophobicContact CE1-CD1 4.39Å; F105-L229 HydrophobicContact CE2-CD1 3.9Å; F105-L229 HydrophobicContact CG-CB 4.16Å; F105-L229 HydrophobicContact CG-CD1 4.13Å; F105-L229 HydrophobicContact CZ-CD1 4.17Å; F105-M230 HydrophobicContact CB-SD 4.25Å; F105-M230 HydrophobicContact CD1-CG 4.22Å; F105-I234 HydrophobicContact CE1-CG2 3.96Å; F105-I234 HydrophobicContact CZ-CG2 4.31Å
106S94.6Very high94.5Very high9 Ų919.2 Ų19.26%0.06312%0.116CC..SBendtrans-97.5-31.5178.466.70000114.4W61 Q85 C104 C228W61-S106 VanDerWaalsContact NE1-CA 3.33Å; Q85-S106 PolarHBondContact OE1-OG 3.06Å; C104-S106 PolarHBondContact SG-OG 2.87Å; S106-C228 WeakPolarHBondContact O-CB 3.22Å
107N93.8Very high94.8Very high50 Ų5017.1 Ų17.127%0.26710%0.095SC..SBendtrans-71.8152.1176.2-71.5-9.4000111.8C104 Q111 T112 C228C104-N107 HydrophobicContact CB-CB 4.29Å; C104-N107 PolarHBondContact SG-N 3.07Å; C104-N107 VanDerWaalsContact SG-N 3.42Å; N107-Q111 HydrophobicContact CB-CB 3.98Å; N107-T112 PolarHBondContact O-OG1 3.35Å; N107-C228 WeakPolarHBondContact O-CA 3.41Å; N107-C228 WeakPolarHBondContact O-CB 2.97Å
108P94.8Very high94.5Very high34 Ų3417.7 Ų17.722%0.22110%0.096CC..BIsolated β-bridgetrans-52.9145.8165-23.734000111.3F110 Q111 T112P108-F110 PolarHBondContact O-N 3.11Å; P108-Q111 PolarHBondContact O-N 2.96Å; P108-T112 PolarHBondContact O-N 2.89Å; P108-T112 PolarHBondContact O-OG1 3.5Å
109V96.9Very high94.3Very high0 Ų018.6 Ų18.60%010%0.1CC..Hα-helixtrans-53.6-34.3-177.5159.50000112.5Q111 T112 V113 L130 L223 S225 R227 L229V109-Q111 PolarHBondContact O-N 3.29Å; V109-T112 PolarHBondContact O-N 2.91Å; V109-V113 HydrophobicContact CG1-CG2 4.16Å; V109-V113 WeakPolarHBondContact O-CB 3.34Å; V109-V113 VanDerWaalsContact O-CG2 3.27Å; V109-V113 WeakPolarHBondContact O-CG2 3.37Å; V109-V113 PolarHBondContact O-N 3.08Å; V109-L130 HydrophobicContact CG1-CB 4.49Å; V109-L130 HydrophobicContact CG1-CD1 4.29Å; V109-L223 HydrophobicContact CG1-CB 4.23Å; V109-L223 HydrophobicContact CG2-CB 4.26Å; V109-L223 HydrophobicContact CG2-CD1 4.2Å; V109-S225 PolarHBondContact N-O 3.26Å; V109-R227 WeakPolarHBondContact CG2-O 3.45Å; V109-R227 PolarHBondContact N-O 2.83Å; V109-L229 HydrophobicContact CG2-CD2 3.75Å; V109-L229 HydrophobicContact CG2-CG 4.31Å
110F95.8Very high94.1Very high5 Ų518.6 Ų18.62%0.02210%0.1CC..Hα-helixtrans-55.2-51174.2-173.7-119000112.6P108 V113 M114 E126 S225 E638 F641P108-F110 PolarHBondContact O-N 3.11Å; F110-V113 PolarHBondContact O-N 3.49Å; F110-M114 HydrophobicContact CD1-SD 3.78Å; F110-M114 HydrophobicContact CE1-SD 3.61Å; F110-M114 HydrophobicContact CG-SD 4.42Å; F110-M114 HydrophobicContact CZ-SD 4.12Å; F110-M114 VanDerWaalsContact O-CG 3.31Å; F110-M114 WeakPolarHBondContact O-CG 3.48Å; F110-M114 PolarHBondContact O-N 2.96Å; F110-E126 HydrophobicContact CE2-CB 4.04Å; F110-E126 HydrophobicContact CZ-CB 4.27Å; F110-S225 WeakPolarHBondContact CB-O 3.09Å; F110-S225 PolarHBondContact N-O 2.81Å; F110-E638 HydrophobicContact CE1-CB 4.43Å; F110-E638 HydrophobicContact CE1-CG 4.1Å; F110-F641 HydrophobicContact CB-CD1 4.23Å; F110-F641 HydrophobicContact CB-CE1 3.82Å; F110-F641 AromaticContact CD1-CD1 3.71Å; F110-F641 HydrophobicContact CD1-CD1 3.71Å; F110-F641 HydrophobicContact CD1-CE1 4.09Å; F110-F641 HydrophobicContact CD1-CG 4.26Å; F110-F641 AromaticContact CD2-CD1 3.8Å; F110-F641 HydrophobicContact CD2-CD1 3.8Å; F110-F641 HydrophobicContact CD2-CD2 4.37Å; F110-F641 AromaticContact CD2-CE1 3.43Å; F110-F641 HydrophobicContact CD2-CE1 3.43Å; F110-F641 VanDerWaalsContact CD2-CE1 3.43Å; F110-F641 HydrophobicContact CD2-CE2 4.04Å; F110-F641 HydrophobicContact CD2-CG 4.26Å; F110-F641 AromaticContact CD2-CZ 3.56Å; F110-F641 HydrophobicContact CD2-CZ 3.56Å; F110-F641 HydrophobicContact CE1-CB 4.17Å; F110-F641 AromaticContact CE1-CD1 3.94Å; F110-F641 HydrophobicContact CE1-CD1 3.94Å; F110-F641 AromaticContact CE1-CG 3.99Å; F110-F641 HydrophobicContact CE1-CG 3.99Å; F110-F641 HydrophobicContact CE2-CD1 4.01Å; F110-F641 AromaticContact CE2-CD2 3.9Å; F110-F641 HydrophobicContact CE2-CD2 3.9Å; F110-F641 AromaticContact CE2-CE1 3.96Å; F110-F641 HydrophobicContact CE2-CE1 3.96Å; F110-F641 AromaticContact CE2-CE2 3.83Å; F110-F641 HydrophobicContact CE2-CE2 3.83Å; F110-F641 AromaticContact CE2-CG 3.99Å; F110-F641 HydrophobicContact CE2-CG 3.99Å; F110-F641 AromaticContact CE2-CZ 3.86Å; F110-F641 HydrophobicContact CE2-CZ 3.86Å; F110-F641 AromaticContact CG-CD1 3.64Å; F110-F641 HydrophobicContact CG-CD1 3.64Å; F110-F641 AromaticContact CG-CE1 3.51Å; F110-F641 HydrophobicContact CG-CE1 3.51Å; F110-F641 HydrophobicContact CG-CG 4.39Å; F110-F641 HydrophobicContact CG-CZ 4.14Å; F110-F641 HydrophobicContact CZ-CB 4.27Å; F110-F641 HydrophobicContact CZ-CD1 4.09Å; F110-F641 HydrophobicContact CZ-CD2 4.06Å; F110-F641 HydrophobicContact CZ-CE1 4.49Å; F110-F641 HydrophobicContact CZ-CE2 4.45Å; F110-F641 AromaticContact CZ-CG 3.86Å; F110-F641 HydrophobicContact CZ-CG 3.86Å
111Q93.6Very high93.8Very high45 Ų4517.3 Ų17.321%0.219%0.094CC..Hα-helixtrans-68.8-34.7177.1-72.5-179.4-800112.2N107 P108 V109 M114 G115 E638N107-Q111 HydrophobicContact CB-CB 3.98Å; P108-Q111 PolarHBondContact O-N 2.96Å; V109-Q111 PolarHBondContact O-N 3.29Å; Q111-M114 WeakPolarHBondContact O-CB 3.48Å; Q111-M114 PolarHBondContact O-N 3.36Å; Q111-G115 PolarHBondContact O-N 3.31Å; Q111-E638 WeakPolarHBondContact CG-OE2 3.46Å; Q111-E638 PolarHBondContact NE2-OE2 2.93Å
112T95.4Very high93.7Very high4 Ų417.5 Ų17.53%0.02510%0.095CC..Hα-helixtrans-63.1-42.8174.1-580000111.1A103 C104 N107 P108 V109 G115 I116 L229A103-T112 HydrophobicContact CB-CG2 4.02Å; C104-T112 WeakPolarHBondContact O-CG2 3.26Å; C104-T112 PolarHBondContact O-OG1 3.49Å; N107-T112 PolarHBondContact O-OG1 3.35Å; P108-T112 PolarHBondContact O-N 2.89Å; P108-T112 PolarHBondContact O-OG1 3.5Å; V109-T112 PolarHBondContact O-N 2.91Å; T112-G115 PolarHBondContact O-N 3.09Å; T112-I116 HydrophobicContact CG2-CD1 4.08Å; T112-I116 VanDerWaalsContact O-CG1 3.32Å; T112-I116 WeakPolarHBondContact O-CG1 3.44Å; T112-I116 PolarHBondContact O-N 3Å; T112-L229 HydrophobicContact CG2-CD1 4Å; T112-L229 HydrophobicContact CG2-CG 4.47Å
113V96.8Very high93.5Very high3 Ų314.8 Ų14.82%0.0188%0.083CC..Hα-helixtrans-62.5-43174.2170.60000110.9V109 F110 G115 I116 C117 P125 L128 L130V109-V113 HydrophobicContact CG1-CG2 4.16Å; V109-V113 WeakPolarHBondContact O-CB 3.34Å; V109-V113 VanDerWaalsContact O-CG2 3.27Å; V109-V113 WeakPolarHBondContact O-CG2 3.37Å; V109-V113 PolarHBondContact O-N 3.08Å; F110-V113 PolarHBondContact O-N 3.49Å; V113-G115 VanDerWaalsContact C-N 3.31Å; V113-G115 PolarHBondContact O-N 3.41Å; V113-I116 PolarHBondContact O-N 2.9Å; V113-C117 WeakPolarHBondContact O-CB 3.38Å; V113-C117 PolarHBondContact O-N 3.44Å; V113-C117 PolarHBondContact O-SG 3.41Å; V113-C117 VanDerWaalsContact O-SG 3.42Å; V113-P125 HydrophobicContact CG1-CB 4.39Å; V113-L128 HydrophobicContact CG1-CB 4.26Å; V113-L130 HydrophobicContact CG2-CD1 4.17Å; V113-L130 HydrophobicContact CG2-CD2 4.41Å; V113-L130 HydrophobicContact CG2-CG 3.73Å
114M92.7Very high93.3Very high1 Ų115.1 Ų15.11%0.0058%0.084CC..Hα-helixtrans-55.5-44.7174-73.8166.273.800112.2F110 Q111 R118 P125 P162 F165 L636 E638F110-M114 HydrophobicContact CD1-SD 3.78Å; F110-M114 HydrophobicContact CE1-SD 3.61Å; F110-M114 HydrophobicContact CG-SD 4.42Å; F110-M114 HydrophobicContact CZ-SD 4.12Å; F110-M114 VanDerWaalsContact O-CG 3.31Å; F110-M114 WeakPolarHBondContact O-CG 3.48Å; F110-M114 PolarHBondContact O-N 2.96Å; Q111-M114 WeakPolarHBondContact O-CB 3.48Å; Q111-M114 PolarHBondContact O-N 3.36Å; M114-R118 WeakPolarHBondContact O-CB 3.47Å; M114-R118 PolarHBondContact O-N 3.13Å; M114-P125 HydrophobicContact CB-CB 4.49Å; M114-P125 HydrophobicContact CB-CG 4.35Å; M114-P125 HydrophobicContact CG-CB 4.02Å; M114-P125 HydrophobicContact CG-CG 3.69Å; M114-P162 HydrophobicContact CE-CB 4.47Å; M114-P162 WeakPolarHBondContact CE-O 3.27Å; M114-F165 HydrophobicContact CB-CE2 4.27Å; M114-F165 HydrophobicContact CB-CZ 3.77Å; M114-F165 HydrophobicContact CE-CE2 3.58Å; M114-F165 HydrophobicContact CE-CZ 4.23Å; M114-F165 HydrophobicContact CG-CE2 4.14Å; M114-F165 HydrophobicContact CG-CZ 4.05Å; M114-L636 HydrophobicContact CE-CD1 3.98Å; M114-L636 HydrophobicContact SD-CD1 4.43Å; M114-E638 HydrophobicContact CE-CG 4.32Å; M114-E638 WeakPolarHBondContact CE-OE1 3.17Å
115G90.8Very high93.3Very high33 Ų3314.8 Ų14.834%0.348%0.081SC..Hα-helixtrans-63.8-44175.100000113.2Q111 T112 V113 R118 M119Q111-G115 PolarHBondContact O-N 3.31Å; T112-G115 PolarHBondContact O-N 3.09Å; V113-G115 VanDerWaalsContact C-N 3.31Å; V113-G115 PolarHBondContact O-N 3.41Å; G115-R118 PolarHBondContact O-N 3.14Å; G115-M119 PolarHBondContact O-N 3.43Å; G115-M119 VanDerWaalsContact O-N 3.11Å
116I94.8Very high93.2Very high3 Ų314.8 Ų14.82%0.0158%0.081CC..Hα-helixtrans-61.5-51.1176.8-71.2169.3000110.9L89 L91 L101 A103 T112 V113 R118 M119 L120 L130 L242L89-I116 HydrophobicContact CD2-CD1 4.47Å; L91-I116 HydrophobicContact CD2-CG2 3.48Å; L91-I116 VanDerWaalsContact CD2-CG2 3.48Å; L101-I116 HydrophobicContact CD1-CD1 4.34Å; L101-I116 HydrophobicContact CD1-CG1 3.9Å; L101-I116 HydrophobicContact CD2-CG1 4.42Å; L101-I116 HydrophobicContact CD2-CG2 4.1Å; A103-I116 HydrophobicContact CB-CD1 4.33Å; T112-I116 HydrophobicContact CG2-CD1 4.08Å; T112-I116 VanDerWaalsContact O-CG1 3.32Å; T112-I116 WeakPolarHBondContact O-CG1 3.44Å; T112-I116 PolarHBondContact O-N 3Å; V113-I116 PolarHBondContact O-N 2.9Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.41Å; I116-M119 WeakPolarHBondContact O-CB 3.32Å; I116-M119 PolarHBondContact O-N 3.24Å; I116-M119 VanDerWaalsContact O-N 3.14Å; I116-L120 HydrophobicContact CG2-CD1 3.83Å; I116-L120 HydrophobicContact CG2-CG 4.43Å; I116-L120 WeakPolarHBondContact O-CG 3.49Å; I116-L120 PolarHBondContact O-N 2.94Å; I116-L130 HydrophobicContact CD1-CD1 4.37Å; I116-L130 HydrophobicContact CD1-CD2 4.29Å; I116-L242 HydrophobicContact CG2-CD2 4.35Å
117C94.1Very high93.2Very high0 Ų014.3 Ų14.30%08%0.078CC..Hα-helixtrans-62-38.2-179.8-74.60000111.9V113 M119 L120 N121 I122 P125V113-C117 WeakPolarHBondContact O-CB 3.38Å; V113-C117 PolarHBondContact O-N 3.44Å; V113-C117 PolarHBondContact O-SG 3.41Å; V113-C117 VanDerWaalsContact O-SG 3.42Å; C117-M119 PolarHBondContact O-N 3.01Å; C117-L120 CarbonylContact O-C 3.58Å; C117-L120 PolarHBondContact O-N 3.45Å; C117-N121 PolarHBondContact O-N 2.94Å; C117-I122 HydrophobicContact CB-CB 4.03Å; C117-I122 HydrophobicContact CB-CG2 4.41Å; C117-I122 WeakPolarHBondContact CB-O 3.45Å; C117-I122 PolarHBondContact O-N 3.45Å; C117-P125 HydrophobicContact CB-CB 3.7Å
118R88.4Confident93.4Very high63 Ų6312.2 Ų12.224%0.2387%0.067CC..Hα-helixtrans-59.1-46.8172.6-176.1-178.7-65.6125.67.3111.6M114 G115 I116 L120 N121 P162 F165M114-R118 WeakPolarHBondContact O-CB 3.47Å; M114-R118 PolarHBondContact O-N 3.13Å; G115-R118 PolarHBondContact O-N 3.14Å; I116-R118 VanDerWaalsContact C-N 3.31Å; I116-R118 PolarHBondContact O-N 3.41Å; R118-L120 VanDerWaalsContact C-N 3.3Å; R118-L120 PolarHBondContact O-N 2.92Å; R118-N121 PolarHBondContact O-N 2.94Å; R118-P162 PolarHBondContact NH2-O 2.63Å; R118-F165 HydrophobicContact CB-CE1 4.22Å
119M89.2Confident93.6Very high19 Ų1910.7 Ų10.79%0.0946%0.057CC..Hα-helixtrans-62.3-37.6178.2-173.2-177.6-70.300112.2L101 G115 I116 C117 N121 L152 V155 H177 F178L101-M119 HydrophobicContact CB-SD 3.77Å; L101-M119 HydrophobicContact CD2-SD 4.25Å; G115-M119 PolarHBondContact O-N 3.43Å; G115-M119 VanDerWaalsContact O-N 3.11Å; I116-M119 WeakPolarHBondContact O-CB 3.32Å; I116-M119 PolarHBondContact O-N 3.24Å; I116-M119 VanDerWaalsContact O-N 3.14Å; C117-M119 PolarHBondContact O-N 3.01Å; M119-N121 VanDerWaalsContact C-N 3.34Å; M119-L152 HydrophobicContact SD-CB 4.25Å; M119-V155 HydrophobicContact CE-CB 4.26Å; M119-V155 HydrophobicContact CE-CG1 4.35Å; M119-V155 HydrophobicContact CG-CB 4.38Å; M119-V155 HydrophobicContact CG-CG1 4.03Å; M119-V155 HydrophobicContact SD-CB 4.25Å; M119-V155 HydrophobicContact SD-CG1 4.48Å; M119-H177 PolarHBondContact O-NE2 3.06Å; M119-F178 WeakPolarHBondContact O-CE2 3.41Å; M119-F178 WeakPolarHBondContact O-CZ 3.46Å
120L92.2Very high93.6Very high0 Ų010.7 Ų10.70%06%0.057CC..THydrogen-bonded Turntrans-861.2-179.7-61.5178.8000114.3L91 L93 V99 I116 C117 R118 I122 L152 L191 L242 V259L91-L120 HydrophobicContact CD2-CD1 4.05Å; L93-L120 HydrophobicContact CD2-CD1 4.04Å; V99-L120 HydrophobicContact CG2-CD2 4.46Å; I116-L120 HydrophobicContact CG2-CD1 3.83Å; I116-L120 HydrophobicContact CG2-CG 4.43Å; I116-L120 WeakPolarHBondContact O-CG 3.49Å; I116-L120 PolarHBondContact O-N 2.94Å; C117-L120 CarbonylContact O-C 3.58Å; C117-L120 PolarHBondContact O-N 3.45Å; R118-L120 VanDerWaalsContact C-N 3.3Å; R118-L120 PolarHBondContact O-N 2.92Å; L120-I122 HydrophobicContact CB-CD1 3.98Å; L120-I122 HydrophobicContact CB-CG1 4.13Å; L120-I122 HydrophobicContact CD1-CD1 4.27Å; L120-L152 HydrophobicContact CD2-CD1 3.7Å; L120-L191 HydrophobicContact CD2-CD1 3.89Å; L120-L191 HydrophobicContact CD2-CD2 4.26Å; L120-L242 HydrophobicContact CD1-CD2 3.9Å; L120-V259 WeakPolarHBondContact O-CG1 3.47Å
121N89.6Confident93.7Very high10 Ų1010.5 Ų10.55%0.0536%0.056CC..THydrogen-bonded Turntrans58.843.1-174.6-160.440.2000114.3C117 R118 M119 P168 P175 V259C117-N121 PolarHBondContact O-N 2.94Å; R118-N121 PolarHBondContact O-N 2.94Å; M119-N121 VanDerWaalsContact C-N 3.34Å; N121-P168 WeakPolarHBondContact OD1-CG 3.42Å; N121-P175 HydrophobicContact CB-CG 3.62Å; N121-P175 VanDerWaalsContact CG-CG 3.45Å; N121-V259 HydrophobicContact CB-CG2 4.41Å
122I92.8Very high93.8Very high5 Ų512.2 Ų12.23%0.0266%0.061CC..  trans-107.2112.7175.6-61.9172.8000108C117 L120 L128 L242 V259 R260C117-I122 HydrophobicContact CB-CB 4.03Å; C117-I122 HydrophobicContact CB-CG2 4.41Å; C117-I122 WeakPolarHBondContact CB-O 3.45Å; C117-I122 PolarHBondContact O-N 3.45Å; L120-I122 HydrophobicContact CB-CD1 3.98Å; L120-I122 HydrophobicContact CB-CG1 4.13Å; L120-I122 HydrophobicContact CD1-CD1 4.27Å; I122-L128 HydrophobicContact CG2-CD1 3.81Å; I122-L128 HydrophobicContact CG2-CD2 4.34Å; I122-L242 HydrophobicContact CD1-CD2 4.11Å; I122-V259 HydrophobicContact CD1-CG1 4.26Å; I122-V259 HydrophobicContact CG1-CB 4.44Å; I122-V259 HydrophobicContact CG1-CG1 3.8Å; I122-R260 HydrophobicContact CG2-CB 4.08Å; I122-R260 HydrophobicContact CG2-CG 4.16Å
123R90.9Very high93.6Very high14 Ų1414.1 Ų14.15%0.0537%0.073CC..SBendtrans-72.8166170.8-58.7-164.5-57.11500.8110.9D251 E253 D257 R260R123-D251 IonicContact NH1-OD2 3.69Å; R123-D251 PolarHBondContact NH2-O 3.13Å; R123-E253 IonicContact CZ-OE1 3.82Å; R123-E253 IonicContact NH1-OE1 3.98Å; R123-E253 PolarHBondContact NH1-OE1 3.15Å; R123-E253 IonicContact NH2-OE1 2.87Å; R123-D257 WeakPolarHBondContact CB-OD1 3.28Å; R123-D257 WeakPolarHBondContact CG-OD1 3.39Å; R123-D257 IonicContact CZ-OD1 3.23Å; R123-D257 IonicContact CZ-OD2 2.8Å; R123-D257 IonicContact NE-OD1 2.84Å; R123-D257 PolarHBondContact NE-OD1 3.33Å; R123-D257 IonicContact NE-OD2 3.93Å; R123-D257 IonicContact NH2-OD1 2.74Å; R123-D257 IonicContact NH2-OD2 2.93Å; R123-D257 PolarHBondContact NH2-OD2 3.47Å; R123-R260 WeakPolarHBondContact O-CD 3.46Å
124H91.6Very high93Very high10 Ų1018.2 Ų18.25%0.04610%0.098CC..  trans53.455.4178.9-57.1-74.1000113.6E126 E127 Y250 R260H124-E126 WeakPolarHBondContact CA-OE2 3.36Å; H124-E126 IonicContact CG-OE1 2.65Å; H124-E126 IonicContact ND1-OE1 2.71Å; H124-E126 PolarHBondContact ND1-OE1 2.91Å; H124-E126 PolarHBondContact O-N 3.17Å; H124-E127 HydrophobicContact CB-CG 4.23Å; H124-E127 WeakPolarHBondContact O-CB 3.35Å; H124-E127 PolarHBondContact O-N 3.34Å; H124-E127 VanDerWaalsContact O-N 3.09Å; H124-Y250 AromaticContact CE1-CD1 3.57Å; H124-Y250 AromaticContact ND1-CD1 4Å; H124-R260 PolarHBondContact CD2-NH1 3.03Å
125P93.8Very high91.9Very high1 Ų127.4 Ų27.41%0.00614%0.141CC..G310 helixtrans-58.5-21.6-178.729.5-40000113.8V113 M114 C117 E127 L128 F165 L636V113-P125 HydrophobicContact CG1-CB 4.39Å; M114-P125 HydrophobicContact CB-CB 4.49Å; M114-P125 HydrophobicContact CB-CG 4.35Å; M114-P125 HydrophobicContact CG-CB 4.02Å; M114-P125 HydrophobicContact CG-CG 3.69Å; C117-P125 HydrophobicContact CB-CB 3.7Å; P125-E127 PolarHBondContact O-N 3.47Å; P125-E127 VanDerWaalsContact O-N 3.13Å; P125-L128 PolarHBondContact O-N 3.47Å; P125-F165 HydrophobicContact CB-CZ 4.44Å; P125-F165 HydrophobicContact CG-CD1 4.4Å; P125-F165 HydrophobicContact CG-CD2 4.24Å; P125-F165 HydrophobicContact CG-CE1 3.86Å; P125-F165 HydrophobicContact CG-CE2 3.69Å; P125-F165 HydrophobicContact CG-CZ 3.51Å; P125-L636 HydrophobicContact CG-CD1 3.86Å
126E94.1Very high90.6Very high1 Ų133.5 Ų33.51%0.00516%0.16CC..G310 helixtrans-60-18.1176.267.2-87.1-15200113.7F110 H124 L128 Y246 F624 M625 R628 L636F110-E126 HydrophobicContact CE2-CB 4.04Å; F110-E126 HydrophobicContact CZ-CB 4.27Å; H124-E126 WeakPolarHBondContact CA-OE2 3.36Å; H124-E126 IonicContact CG-OE1 2.65Å; H124-E126 IonicContact ND1-OE1 2.71Å; H124-E126 PolarHBondContact ND1-OE1 2.91Å; H124-E126 PolarHBondContact O-N 3.17Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-Y246 WeakPolarHBondContact O-CD2 3.42Å; E126-F624 HydrophobicContact CB-CE1 4Å; E126-F624 HydrophobicContact CG-CE1 4.24Å; E126-M625 HydrophobicContact CB-SD 4.06Å; E126-M625 HydrophobicContact CG-CE 3.88Å; E126-M625 HydrophobicContact CG-SD 3.47Å; E126-M625 WeakPolarHBondContact CG-SD 3.27Å; E126-R628 IonicContact OE1-CZ 3.93Å; E126-R628 VanDerWaalsContact OE1-CZ 3.23Å; E126-R628 IonicContact OE1-NE 2.98Å; E126-R628 PolarHBondContact OE1-NE 3.18Å; E126-R628 IonicContact OE1-NH2 3.52Å; E126-R628 PolarHBondContact OE1-NH2 3.26Å; E126-R628 IonicContact OE2-NH2 3.23Å; E126-L636 HydrophobicContact CB-CD2 4.13Å; E126-L636 HydrophobicContact CG-CD2 4.05Å; E126-L636 WeakPolarHBondContact OE2-CD1 3.25Å
127E95.8Very high88.5Confident0 Ų043 Ų430%020%0.202CC..G310 helixtrans-79.6-18.8175.4-63.5171.3176.800112.7H124 P125 F244 K245 Y246 F249 Y250 R260 M625H124-E127 HydrophobicContact CB-CG 4.23Å; H124-E127 WeakPolarHBondContact O-CB 3.35Å; H124-E127 PolarHBondContact O-N 3.34Å; H124-E127 VanDerWaalsContact O-N 3.09Å; P125-E127 PolarHBondContact O-N 3.47Å; P125-E127 VanDerWaalsContact O-N 3.13Å; E127-F244 HydrophobicContact CB-CD1 4.23Å; E127-F244 CarbonylContact O-C 3.53Å; E127-K245 PolarHBondContact O-N 3.41Å; E127-Y246 PolarHBondContact O-N 3.38Å; E127-Y246 VanDerWaalsContact O-N 3.09Å; E127-F249 VanDerWaalsContact OE1-CA 3.32Å; E127-F249 WeakPolarHBondContact OE1-CA 3.5Å; E127-Y250 PolarHBondContact OE1-N 2.96Å; E127-R260 IonicContact OE1-CZ 3.8Å; E127-R260 IonicContact OE1-NH2 3.66Å; E127-R260 PolarHBondContact OE1-NH2 2.95Å; E127-R260 IonicContact OE2-CZ 3.17Å; E127-R260 IonicContact OE2-NE 2.79Å; E127-R260 PolarHBondContact OE2-NE 2.88Å; E127-R260 IonicContact OE2-NH2 2.67Å; E127-R260 PolarHBondContact OE2-NH2 3.05Å; E127-M625 HydrophobicContact CG-CE 3.5Å
128L97.7Very high86.5Confident6 Ų651.6 Ų51.63%0.03124%0.239CC..EExtended strand (participates in β ladder)trans-109.4159.4-172.9-59.596.8000111.6V113 I122 P125 E126 L242 R243 F244V113-L128 HydrophobicContact CG1-CB 4.26Å; I122-L128 HydrophobicContact CG2-CD1 3.81Å; I122-L128 HydrophobicContact CG2-CD2 4.34Å; P125-L128 PolarHBondContact O-N 3.47Å; E126-L128 VanDerWaalsContact C-N 3.34Å; L128-L242 HydrophobicContact CB-CD1 4.05Å; L128-L242 HydrophobicContact CD2-CD1 4.09Å; L128-L242 HydrophobicContact CD2-CD2 4.07Å; L128-L242 HydrophobicContact CD2-CG 3.89Å; L128-R243 WeakPolarHBondContact CA-O 3.44Å; L128-F244 HydrophobicContact CD1-CD1 4.14Å; L128-F244 HydrophobicContact CD1-CE1 3.91Å; L128-F244 HydrophobicContact CD2-CD1 4.25Å; L128-F244 HydrophobicContact CD2-CD2 4.28Å; L128-F244 HydrophobicContact CD2-CE1 4.11Å; L128-F244 HydrophobicContact CD2-CE2 4.11Å; L128-F244 HydrophobicContact CD2-CG 4.35Å; L128-F244 HydrophobicContact CD2-CZ 4.03Å; L128-F244 HydrophobicContact CG-CD1 3.86Å; L128-F244 HydrophobicContact CG-CE1 3.99Å; L128-F244 HydrophobicContact CG-CG 4.21Å; L128-F244 HydrophobicContact CG-CZ 4.42Å
129S98.2Very high84.8Confident1 Ų156.2 Ų56.21%0.00726%0.261CS..EExtended strand (participates in β ladder)trans-155.1177.2170.8-167.40000110.7R243S129-R243 PolarHBondContact N-O 2.98Å; S129-R243 PolarHBondContact O-N 3.19Å
130L98.4Very high82.9Confident0 Ų065 Ų650%030%0.299CS..EExtended strand (participates in β ladder)trans-98.3134.5178.6-62.5175.1000110.7L91 V109 V113 I116 L223 L229 L240 W241 L242L91-L130 HydrophobicContact CD1-CD2 3.55Å; V109-L130 HydrophobicContact CG1-CB 4.49Å; V109-L130 HydrophobicContact CG1-CD1 4.29Å; V113-L130 HydrophobicContact CG2-CD1 4.17Å; V113-L130 HydrophobicContact CG2-CD2 4.41Å; V113-L130 HydrophobicContact CG2-CG 3.73Å; I116-L130 HydrophobicContact CD1-CD1 4.37Å; I116-L130 HydrophobicContact CD1-CD2 4.29Å; L130-L223 HydrophobicContact CB-CB 4.45Å; L130-L223 HydrophobicContact CB-CD1 3.81Å; L130-L223 HydrophobicContact CB-CG 4.15Å; L130-L223 HydrophobicContact CD1-CD1 4.38Å; L130-L223 PolarHBondContact O-N 3.14Å; L130-L229 HydrophobicContact CD1-CD2 3.87Å; L130-L240 HydrophobicContact CB-CD1 4.31Å; L130-L240 HydrophobicContact CD1-CD1 3.98Å; L130-W241 WeakPolarHBondContact CA-O 3.36Å; L130-L242 HydrophobicContact CD2-CD1 4.25Å
131L97Very high80.9Confident2 Ų274 Ų741%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-123132.7-178.2-178.384.5000109.3I218 R221 W222 W241 R243L131-I218 HydrophobicContact CD1-CG1 4.27Å; L131-I218 WeakPolarHBondContact CD1-O 3.39Å; L131-I218 HydrophobicContact CD2-CD1 4.07Å; L131-I218 HydrophobicContact CD2-CG1 3.85Å; L131-R221 HydrophobicContact CD1-CB 3.79Å; L131-R221 HydrophobicContact CG-CB 4.29Å; L131-W222 HydrophobicContact CB-CD2 4.4Å; L131-W222 HydrophobicContact CB-CE3 3.84Å; L131-W222 HydrophobicContact CB-CZ3 3.9Å; L131-W222 HydrophobicContact CD1-CD2 3.55Å; L131-W222 HydrophobicContact CD1-CE3 3.88Å; L131-W222 HydrophobicContact CD1-CG 3.86Å; L131-W222 HydrophobicContact CD1-CZ2 4.31Å; L131-W222 HydrophobicContact CD1-CZ3 4.39Å; L131-W222 HydrophobicContact CG-CE3 4.5Å; L131-W241 HydrophobicContact CB-CB 4.14Å; L131-W241 HydrophobicContact CD2-CB 4.49Å; L131-W241 PolarHBondContact N-O 3.44Å; L131-W241 PolarHBondContact O-N 2.8Å; L131-R243 HydrophobicContact CD2-CG 4.43Å
132R95.7Very high79.1Confident81 Ų8177.7 Ų77.731%0.30636%0.358SS..PPolyproline II helixtrans-66.8139.3173.2-65.6-179.6-175.2-87.8-16110.6R221 L223 Q232 L240R132-R221 HydrophobicContact CB-CB 4.23Å; R132-R221 PolarHBondContact N-O 2.77Å; R132-R221 PolarHBondContact O-NH1 3.46Å; R132-L223 HydrophobicContact CG-CD2 3.74Å; R132-L223 VanDerWaalsContact NH2-CD2 3.29Å; R132-Q232 PolarHBondContact NH2-O 3.18Å; R132-L240 HydrophobicContact CG-CD2 4.21Å
133P90.8Very high77Confident43 Ų4385.4 Ų85.428%0.27939%0.391SS..PPolyproline II helixtrans-61.5162.6169.827-34.4000111.6R221 R239P133-R221 VanDerWaalsContact C-NH1 3.26Å; P133-R239 WeakPolarHBondContact CD-O 3.21Å; P133-R239 HydrophobicContact CG-CB 4.43Å; P133-R239 WeakPolarHBondContact CG-O 3.43Å
134V84.6Confident74.9Confident90 Ų9092 Ų9255%0.54543%0.427SS..PPolyproline II helixtrans-72.5137.3167.7-178.30000107.3E136 R221V134-E136 PolarHBondContact O-N 3.14Å; V134-R221 VanDerWaalsContact CG2-CZ 3.43Å; V134-R221 VanDerWaalsContact N-NH1 3.17Å
135E70Confident73.2Confident194 Ų19497.8 Ų97.891%0.90746%0.458SS*.  trans-67.999.7172.5-69.9-173175.100110
136E62.2Low71.5Confident160 Ų160104.6 Ų104.675%0.74850%0.5SS*.  trans-86.5121.4173.5-67.4-171.7170.400110.5V134 K138V134-E136 PolarHBondContact O-N 3.14Å; E136-K138 VanDerWaalsContact C-N 3.34Å; E136-K138 PolarHBondContact O-N 3.26Å
137K51.8Low70.5Confident204 Ų204108.9 Ų108.989%0.88752%0.519SS*.  trans-68.493.8166-69.9-175.2-180178.60108.4K139K137-K139 PolarHBondContact O-N 3.09Å; K137-K139 VanDerWaalsContact O-N 3.08Å
138K51.7Low70.1Confident179 Ų179114 Ų11478%0.77854%0.543SS*.  trans-50116.2179.7-72-170.9176.4-175.10110.8E136E136-K138 VanDerWaalsContact C-N 3.34Å; E136-K138 PolarHBondContact O-N 3.26Å
139K53.3Low69.8Low161 Ų161116.8 Ų116.870%0.756%0.558SS**  trans-74.4148.3171.2-73.9176.8-179.2171.70109K137 K141 D142K137-K139 PolarHBondContact O-N 3.09Å; K137-K139 VanDerWaalsContact O-N 3.08Å; K139-K141 PolarHBondContact O-N 3.35Å; K139-D142 PolarHBondContact O-N 3.24Å
140K49.5Very low69.5Low203 Ų203118.8 Ų118.888%0.88357%0.566SS**THydrogen-bonded Turntrans-51.8-23.3-177.7-122.4178.7-178.5-179.80114.4
141K49.8Very low69.2Low189 Ų189122.6 Ų122.682%0.82259%0.586SS**THydrogen-bonded Turntrans-87.5-16.9-175.8-153.8174.5-178179.90114.4K139 K143K139-K141 PolarHBondContact O-N 3.35Å; K141-K143 VanDerWaalsContact C-N 3.33Å
142D52.4Low68.9Low88 Ų88122.6 Ų122.647%0.47159%0.586SS.*G310 helixtrans-88.71.4179-66.6-39.9000113.1K139 D144K139-D142 PolarHBondContact O-N 3.24Å; D142-D144 VanDerWaalsContact C-N 3.28Å; D142-D144 PolarHBondContact O-N 2.98Å
143K48.5Very low68.6Low166 Ų166119.3 Ų119.372%0.72258%0.575SS**G310 helixtrans-71.7-18.8178.8-83.8-170.5172-171.30114.1K141K141-K143 VanDerWaalsContact C-N 3.33Å
144D45.8Very low68.4Low153 Ų153124.8 Ų124.882%0.81860%0.597SS**G310 helixtrans-97.71.6-175.9-72.5-18.7000114D142 T146D142-D144 VanDerWaalsContact C-N 3.28Å; D142-D144 PolarHBondContact O-N 2.98Å; D144-T146 PolarHBondContact O-N 2.74Å
145L57.4Low68.3Low132 Ų132121.1 Ų121.169%0.69158%0.575SS**  trans-87.5103.7173.1-71.1165.9000109E147L145-E147 PolarHBondContact O-N 2.71Å; L145-E147 VanDerWaalsContact O-N 3.14Å
146T57.3Low68.5Low144 Ų144116.4 Ų116.488%0.88356%0.56SS**  trans-64109167.818.60000108.9D144 E148D144-T146 PolarHBondContact O-N 2.74Å; T146-E148 PolarHBondContact O-N 2.92Å
147E73.5Confident68.9Low90 Ų90112.5 Ų112.542%0.42154%0.544SS..  trans-68.9123.9170.2-176.3170.9-163.100108.9T98 L145 I149 R239T98-E147 WeakPolarHBondContact CB-OE1 3.49Å; T98-E147 PolarHBondContact OG1-OE1 2.64Å; L145-E147 PolarHBondContact O-N 2.71Å; L145-E147 VanDerWaalsContact O-N 3.14Å; E147-I149 HydrophobicContact CG-CG1 4.23Å; E147-I149 PolarHBondContact O-N 2.95Å; E147-R239 IonicContact OE1-CZ 3.12Å; E147-R239 IonicContact OE1-NH1 2.95Å; E147-R239 PolarHBondContact OE1-NH1 3.07Å; E147-R239 IonicContact OE1-NH2 2.74Å; E147-R239 PolarHBondContact OE1-NH2 2.83Å; E147-R239 IonicContact OE2-NH1 2.71Å; E147-R239 PolarHBondContact OE2-NH1 3.45Å
148E85.8Confident69.2Low108 Ų108107 Ų10751%0.50553%0.531SS..  trans-70.7115.5173-169.6-175.8-165.200108.7K97 T146 Y150K97-E148 IonicContact NZ-OE2 3.6Å; K97-E148 PolarHBondContact NZ-OE2 2.95Å; T146-E148 PolarHBondContact O-N 2.92Å; E148-Y150 HydrophobicContact CG-CE2 4.18Å; E148-Y150 PolarHBondContact OE1-OH 2.69Å; E148-Y150 PolarHBondContact OE2-OH 2.81Å; E148-Y150 VanDerWaalsContact OE2-OH 3.13Å
149I91.4Very high69Low65 Ų65104.6 Ų104.633%0.33354%0.538SS..EExtended strand (participates in β ladder)trans-116.9123.9-179.3-60.9174.2000108.1K90 T98 M100 E147K90-I149 HydrophobicContact CD-CD1 4.44Å; T98-I149 HydrophobicContact CG2-CG1 4.34Å; T98-I149 WeakPolarHBondContact O-CA 3.43Å; M100-I149 HydrophobicContact CB-CG2 3.71Å; E147-I149 HydrophobicContact CG-CG1 4.23Å; E147-I149 PolarHBondContact O-N 2.95Å
150Y92.1Very high68.8Low43 Ų4399.1 Ų99.117%0.16953%0.526CS..EExtended strand (participates in β ladder)trans-91.3123.4175.1-60.2-88.7000109.7K97 T98 V99 M100 E148 V187 M190K97-Y150 HydrophobicContact CB-CE2 4.26Å; K97-Y150 HydrophobicContact CD-CE2 4.15Å; K97-Y150 HydrophobicContact CG-CE2 4.38Å; T98-Y150 PolarHBondContact O-N 3Å; V99-Y150 CarbonylContact C-O 3.58Å; V99-Y150 VanDerWaalsContact CA-O 3.26Å; V99-Y150 WeakPolarHBondContact CA-O 3.44Å; M100-Y150 PolarHBondContact N-O 3.09Å; E148-Y150 HydrophobicContact CG-CE2 4.18Å; E148-Y150 PolarHBondContact OE1-OH 2.69Å; E148-Y150 PolarHBondContact OE2-OH 2.81Å; E148-Y150 VanDerWaalsContact OE2-OH 3.13Å; Y150-V187 HydrophobicContact CD1-CG2 4.18Å; Y150-M190 HydrophobicContact CD1-CE 4.44Å; Y150-M190 HydrophobicContact CD2-CE 3.56Å; Y150-M190 HydrophobicContact CD2-CG 4.33Å; Y150-M190 HydrophobicContact CD2-SD 4.37Å; Y150-M190 HydrophobicContact CE1-CB 4.34Å; Y150-M190 HydrophobicContact CE1-CG 4.28Å; Y150-M190 HydrophobicContact CE2-CE 3.95Å; Y150-M190 HydrophobicContact CE2-CG 3.75Å; Y150-M190 HydrophobicContact CE2-SD 4.2Å; Y150-M190 HydrophobicContact CG-CE 3.83Å
151D91.8Very high68.6Low79 Ų7994 Ų9442%0.42251%0.513SS..EExtended strand (participates in β ladder)trans-91.8125.7-174.3-160.1-16.8000111.9M100 T153M100-D151 HydrophobicContact CE-CB 4.36Å; M100-D151 VanDerWaalsContact CE-CG 3.45Å; M100-D151 WeakPolarHBondContact CE-OD2 3.3Å; D151-T153 VanDerWaalsContact OD1-CB 3.26Å; D151-T153 WeakPolarHBondContact OD1-CB 3.42Å; D151-T153 VanDerWaalsContact OD1-CG2 3.26Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.48Å; D151-T153 PolarHBondContact OD1-N 3.22Å; D151-T153 PolarHBondContact OD1-OG1 2.83Å; D151-T153 PolarHBondContact OD2-OG1 3.2Å
152L91.3Very high68.8Low2 Ų287.8 Ų87.81%0.0149%0.491CS..EExtended strand (participates in β ladder)trans-125.614176.3-65174.8000111.1V99 M100 L101 M119 L120 E154 V155 F178 M184 V187V99-L152 HydrophobicContact CB-CD1 4.19Å; V99-L152 HydrophobicContact CG1-CD1 4.4Å; M100-L152 WeakPolarHBondContact O-CA 3.23Å; M100-L152 WeakPolarHBondContact O-CB 3.42Å; M100-L152 PolarHBondContact O-N 2.79Å; L101-L152 HydrophobicContact CB-CB 4.07Å; M119-L152 HydrophobicContact SD-CB 4.25Å; L120-L152 HydrophobicContact CD2-CD1 3.7Å; L152-E154 PolarHBondContact O-N 3.03Å; L152-V155 HydrophobicContact CB-CG2 4.08Å; L152-V155 HydrophobicContact CD2-CG2 3.98Å; L152-V155 WeakPolarHBondContact O-CB 3.35Å; L152-V155 WeakPolarHBondContact O-CG2 3.36Å; L152-V155 PolarHBondContact O-N 3.23Å; L152-F178 HydrophobicContact CD2-CE1 3.96Å; L152-M184 HydrophobicContact CD2-CE 3.48Å; L152-M184 VanDerWaalsContact CD2-CE 3.48Å; L152-M184 HydrophobicContact CD2-SD 3.79Å; L152-V187 HydrophobicContact CD1-CG1 4.16Å; L152-V187 HydrophobicContact CD2-CB 4.25Å; L152-V187 HydrophobicContact CD2-CG1 3.84Å; L152-V187 HydrophobicContact CD2-CG2 4.3Å; L152-V187 HydrophobicContact CG-CG1 4.16Å
153T90.2Very high68.7Low13 Ų1385.7 Ų85.78%0.0848%0.482CS..THydrogen-bonded Turntrans-70-18.2-177.358.90000113.7P88 M100 K102 D151P88-T153 HydrophobicContact CB-CG2 4.41Å; M100-T153 HydrophobicContact CE-CG2 4.03Å; M100-T153 HydrophobicContact CG-CG2 3.8Å; M100-T153 HydrophobicContact SD-CG2 4.49Å; K102-T153 VanDerWaalsContact CD-O 3.28Å; K102-T153 WeakPolarHBondContact CD-O 3.42Å; K102-T153 WeakPolarHBondContact CE-O 3.41Å; K102-T153 HydrophobicContact CG-CG2 4.4Å; K102-T153 PolarHBondContact NZ-O 2.64Å; D151-T153 VanDerWaalsContact OD1-CB 3.26Å; D151-T153 WeakPolarHBondContact OD1-CB 3.42Å; D151-T153 VanDerWaalsContact OD1-CG2 3.26Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.48Å; D151-T153 PolarHBondContact OD1-N 3.22Å; D151-T153 PolarHBondContact OD1-OG1 2.83Å; D151-T153 PolarHBondContact OD2-OG1 3.2Å
154E85.8Confident68.8Low158 Ų15880.2 Ų80.274%0.73846%0.462SS*.THydrogen-bonded Turntrans-86.9-7.5174.9-63.4-55.9143.600113.4L152 P156L152-E154 PolarHBondContact O-N 3.03Å; E154-P156 WeakPolarHBondContact O-CD 3.28Å
155V83.6Confident69.4Low13 Ų1374.2 Ų74.28%0.07943%0.429CS..SBendtrans-64.6125.2177-179.10000109.5M119 L152 L157 H177 M184M119-V155 HydrophobicContact CE-CB 4.26Å; M119-V155 HydrophobicContact CE-CG1 4.35Å; M119-V155 HydrophobicContact CG-CB 4.38Å; M119-V155 HydrophobicContact CG-CG1 4.03Å; M119-V155 HydrophobicContact SD-CB 4.25Å; M119-V155 HydrophobicContact SD-CG1 4.48Å; L152-V155 HydrophobicContact CB-CG2 4.08Å; L152-V155 HydrophobicContact CD2-CG2 3.98Å; L152-V155 WeakPolarHBondContact O-CB 3.35Å; L152-V155 WeakPolarHBondContact O-CG2 3.36Å; L152-V155 PolarHBondContact O-N 3.23Å; V155-L157 PolarHBondContact O-N 3.08Å; V155-H177 HydrophobicContact CG1-CB 4.34Å; V155-M184 HydrophobicContact CG2-CE 3.4Å; V155-M184 VanDerWaalsContact CG2-CE 3.4Å; V155-M184 HydrophobicContact CG2-SD 4.33Å
156P73.1Confident69.3Low94 Ų9471.7 Ų71.761%0.6142%0.422SS*.  trans-57.2133.3178.9-25.233.9000111.6E154 S158E154-P156 WeakPolarHBondContact O-CD 3.28Å; P156-S158 PolarHBondContact O-N 3.41Å; P156-S158 VanDerWaalsContact O-N 3.08Å
157L70.9Confident69.5Low78 Ų7870.7 Ų70.741%0.40840%0.402SS..  trans-64.4112.2172.6-60.5170.9000108.1H86 K102 V155 S159H86-L157 HydrophobicContact CB-CD1 3.96Å; H86-L157 VanDerWaalsContact CD2-CD2 3.49Å; H86-L157 WeakPolarHBondContact CD2-CD2 3.26Å; H86-L157 VanDerWaalsContact CG-CD1 3.49Å; K102-L157 HydrophobicContact CB-CD2 4.25Å; V155-L157 PolarHBondContact O-N 3.08Å; L157-S159 PolarHBondContact O-N 3.15Å
158S58.9Low68.9Low88 Ų8867.9 Ų67.962%0.61539%0.392SS*.  trans-61.3125.8-178.8-82.20000111.1P156 G160P156-S158 PolarHBondContact O-N 3.41Å; P156-S158 VanDerWaalsContact O-N 3.08Å; S158-G160 VanDerWaalsContact C-N 3.29Å; S158-G160 PolarHBondContact O-N 3.2Å
159S47.3Very low67.8Low130 Ų13068.7 Ų68.791%0.90941%0.408SS*.  trans-81.53179.752.90000114.9L157L157-S159 PolarHBondContact O-N 3.15Å
160G48.1Very low66.7Low45 Ų4568.3 Ų68.346%0.46441%0.406SS..SBendtrans-68.1152.317900000113.1S158S158-G160 VanDerWaalsContact C-N 3.29Å; S158-G160 PolarHBondContact O-N 3.2Å
161T46.2Very low65.4Low97 Ų9773.3 Ų73.360%0.59543%0.426SS*.  trans-53.9126.7173.329.80000110.3T163T161-T163 PolarHBondContact O-N 3.28Å
162P52.8Low64.2Low57 Ų5775 Ų7537%0.3744%0.436SS..THydrogen-bonded Turntrans-56.3-27.7-174.4-24.932.2000114M114 R118 F165M114-P162 HydrophobicContact CE-CB 4.47Å; M114-P162 WeakPolarHBondContact CE-O 3.27Å; R118-P162 PolarHBondContact NH2-O 2.63Å; P162-F165 WeakPolarHBondContact O-CE2 3.39Å
163T50.3Low63Low44 Ų4476.7 Ų76.727%0.2745%0.453SS..THydrogen-bonded Turntrans-79.4-20.4-166.252.40000115.2T161 T635 L636 E638T161-T163 PolarHBondContact O-N 3.28Å; T163-T635 WeakPolarHBondContact O-CA 3.27Å; T163-T635 WeakPolarHBondContact O-CG2 3.39Å; T163-L636 PolarHBondContact O-N 3.14Å; T163-E638 HydrophobicContact CG2-CG 4.21Å; T163-E638 WeakPolarHBondContact CG2-OE1 3.28Å
164T51Low62.4Low52 Ų5276.4 Ų76.432%0.31945%0.451SS..BIsolated β-bridgetrans-105110.1-171.7-45.20000110.5S166T164-S166 WeakPolarHBondContact CG2-OG 3.45Å; T164-S166 PolarHBondContact O-N 2.86Å
165F58.6Low62Low26 Ų2669.4 Ų69.411%0.11442%0.419CS..  trans-99.565.7171.9-73.1-91.3000109.5M114 R118 P125 P162 D634 L636M114-F165 HydrophobicContact CB-CE2 4.27Å; M114-F165 HydrophobicContact CB-CZ 3.77Å; M114-F165 HydrophobicContact CE-CE2 3.58Å; M114-F165 HydrophobicContact CE-CZ 4.23Å; M114-F165 HydrophobicContact CG-CE2 4.14Å; M114-F165 HydrophobicContact CG-CZ 4.05Å; R118-F165 HydrophobicContact CB-CE1 4.22Å; P125-F165 HydrophobicContact CB-CZ 4.44Å; P125-F165 HydrophobicContact CG-CD1 4.4Å; P125-F165 HydrophobicContact CG-CD2 4.24Å; P125-F165 HydrophobicContact CG-CE1 3.86Å; P125-F165 HydrophobicContact CG-CE2 3.69Å; P125-F165 HydrophobicContact CG-CZ 3.51Å; P162-F165 WeakPolarHBondContact O-CE2 3.39Å; F165-D634 PolarHBondContact N-O 3.22Å; F165-L636 HydrophobicContact CD2-CD1 3.9Å; F165-L636 HydrophobicContact CE2-CD1 3.84Å
166S55.5Low61.8Low79 Ų7971.8 Ų71.855%0.55244%0.44SS*.PPolyproline II helixtrans-60.1151.3170.2-58.80000109.9T164 P168T164-S166 WeakPolarHBondContact CG2-OG 3.45Å; T164-S166 PolarHBondContact O-N 2.86Å; S166-P168 VanDerWaalsContact O-N 3.15Å
167R61.8Low62.1Low123 Ų12369.2 Ų69.246%0.46442%0.42SS..PPolyproline II helixtrans-48.3123.9171.8-73.8179.4172.8173.4-4109.3C169 E253R167-C169 PolarHBondContact O-N 3.06Å; R167-E253 IonicContact CZ-OE1 3.63Å; R167-E253 IonicContact CZ-OE2 3.49Å; R167-E253 IonicContact NE-OE1 3.53Å; R167-E253 IonicContact NH2-OE1 2.81Å; R167-E253 PolarHBondContact NH2-OE1 2.78Å; R167-E253 IonicContact NH2-OE2 3.53Å; R167-E253 PolarHBondContact NH2-OE2 2.79Å
168P60.7Low62.8Low32 Ų3265.5 Ų65.521%0.20840%0.401CS..PPolyproline II helixtrans-61.6135-175.722.4-31000109.6N121 S166 L170N121-P168 WeakPolarHBondContact OD1-CG 3.42Å; S166-P168 VanDerWaalsContact O-N 3.15Å; P168-L170 HydrophobicContact CB-CD2 4.17Å; P168-L170 HydrophobicContact CG-CD2 4.11Å; P168-L170 PolarHBondContact O-N 3.09Å
169C62.5Low63.9Low125 Ų12563.3 Ų63.385%0.84539%0.388SS*.  trans-68105.9168.4-67.40000107.8R167R167-C169 PolarHBondContact O-N 3.06Å
170L69.1Low65.4Low56 Ų5663 Ų6329%0.29338%0.376SS..EExtended strand (participates in β ladder)trans-90.1127.9179.6-58.9177.4000109.6P168 M174 Y256P168-L170 HydrophobicContact CB-CD2 4.17Å; P168-L170 HydrophobicContact CG-CD2 4.11Å; P168-L170 PolarHBondContact O-N 3.09Å; L170-M174 CarbonylContact C-O 3.47Å; L170-M174 WeakPolarHBondContact CA-O 3.41Å; L170-Y256 HydrophobicContact CD1-CD1 4.35Å
171Y64.4Low67.2Low148 Ų14863.2 Ų63.258%0.5837%0.37SS*.EExtended strand (participates in β ladder)trans-99.1118.5167-173.8-100.8000107.4G173 M174 A179Y171-G173 PolarHBondContact O-N 3Å; Y171-M174 PolarHBondContact N-O 3.18Å; Y171-M174 VanDerWaalsContact O-CG 3.23Å; Y171-M174 WeakPolarHBondContact O-CG 3.42Å; Y171-M174 PolarHBondContact O-N 3.47Å; Y171-A179 HydrophobicContact CD1-CB 4.17Å
172N65.4Low69Low116 Ų11666.9 Ų66.962%0.6238%0.38SS*.THydrogen-bonded Turntrans54.120.4-172.1-66.6-11.4000115.7M305N172-M305 HydrophobicContact CB-CE 4.1Å; N172-M305 WeakPolarHBondContact O-CE 3.22Å
173G66.9Low70.6Confident37 Ų3772 Ų7238%0.38140%0.399SS..THydrogen-bonded Turntrans90.99.1-178.100000114.8Y171 Y188Y171-G173 PolarHBondContact O-N 3Å; G173-Y188 PolarHBondContact O-OH 3.39Å
174M77Confident72.3Confident7 Ų771 Ų713%0.03439%0.392CS..EExtended strand (participates in β ladder)trans-130.5154.5173.363.3-166.9-51.700111.2L170 Y171 F178 A179 E185 Y188 M305L170-M174 CarbonylContact C-O 3.47Å; L170-M174 WeakPolarHBondContact CA-O 3.41Å; Y171-M174 PolarHBondContact N-O 3.18Å; Y171-M174 VanDerWaalsContact O-CG 3.23Å; Y171-M174 WeakPolarHBondContact O-CG 3.42Å; Y171-M174 PolarHBondContact O-N 3.47Å; M174-F178 HydrophobicContact CE-CB 3.45Å; M174-F178 VanDerWaalsContact CE-CB 3.45Å; M174-F178 WeakPolarHBondContact CE-O 3.41Å; M174-A179 HydrophobicContact CG-CB 4.27Å; M174-A179 HydrophobicContact SD-CB 4.05Å; M174-E185 HydrophobicContact CE-CB 4.15Å; M174-E185 HydrophobicContact CE-CG 3.98Å; M174-Y188 HydrophobicContact CB-CD1 3.75Å; M174-Y188 HydrophobicContact CB-CE1 3.52Å; M174-Y188 HydrophobicContact CB-CE2 4.37Å; M174-Y188 HydrophobicContact CB-CG 4.26Å; M174-Y188 HydrophobicContact CE-CD1 4.01Å; M174-Y188 HydrophobicContact CE-CG 4.17Å; M174-M305 HydrophobicContact CB-CE 4.16Å; M174-M305 HydrophobicContact CG-CE 3.9Å; M174-M305 HydrophobicContact SD-CE 3.61Å
175P78.5Confident74.1Confident10 Ų1073.1 Ų73.17%0.06540%0.398CS..EExtended strand (participates in β ladder)trans-60.6148.4171-21.129.7000112.3N121 H177 F178 A179 Y188N121-P175 HydrophobicContact CB-CG 3.62Å; N121-P175 VanDerWaalsContact CG-CG 3.45Å; P175-H177 VanDerWaalsContact C-N 3.32Å; P175-H177 PolarHBondContact O-N 3.01Å; P175-F178 HydrophobicContact CB-CD2 3.87Å; P175-F178 HydrophobicContact CG-CD2 3.68Å; P175-F178 HydrophobicContact CG-CE2 4.1Å; P175-F178 PolarHBondContact O-N 3.34Å; P175-A179 PolarHBondContact O-N 3.3Å; P175-Y188 HydrophobicContact CG-CE2 4.42Å
176A78.1Confident75.5Confident63 Ų6373.5 Ų73.552%0.52141%0.41SS..G310 helixtrans-53.4-44.8-175.600000113.3F178 A179 D180A176-F178 PolarHBondContact O-N 3.11Å; A176-F178 VanDerWaalsContact O-N 3.14Å; A176-A179 WeakPolarHBondContact O-CB 3.49Å; A176-A179 PolarHBondContact O-N 3.43Å; A176-D180 PolarHBondContact O-N 2.9Å
177H80.8Confident77.2Confident41 Ų4170.1 Ų70.119%0.1939%0.386CS..G310 helixtrans-66.2-17.5-178.866.3-84.4000114.2M119 V155 P175 D180 M184M119-H177 PolarHBondContact O-NE2 3.06Å; V155-H177 HydrophobicContact CG1-CB 4.34Å; P175-H177 VanDerWaalsContact C-N 3.32Å; P175-H177 PolarHBondContact O-N 3.01Å; H177-D180 WeakPolarHBondContact CA-OD2 3.46Å; H177-M184 WeakPolarHBondContact O-CE 3.32Å
178F84.1Confident78.6Confident0 Ų065 Ų650%037%0.366CS..G310 helixtrans-84.7-19.7172.5-71.9-65.8000112.8M119 L152 M174 P175 A176 D180 M184 E185 V187 Y188 L191M119-F178 WeakPolarHBondContact O-CE2 3.41Å; M119-F178 WeakPolarHBondContact O-CZ 3.46Å; L152-F178 HydrophobicContact CD2-CE1 3.96Å; M174-F178 HydrophobicContact CE-CB 3.45Å; M174-F178 VanDerWaalsContact CE-CB 3.45Å; M174-F178 WeakPolarHBondContact CE-O 3.41Å; P175-F178 HydrophobicContact CB-CD2 3.87Å; P175-F178 HydrophobicContact CG-CD2 3.68Å; P175-F178 HydrophobicContact CG-CE2 4.1Å; P175-F178 PolarHBondContact O-N 3.34Å; A176-F178 PolarHBondContact O-N 3.11Å; A176-F178 VanDerWaalsContact O-N 3.14Å; F178-D180 VanDerWaalsContact C-N 3.34Å; F178-M184 HydrophobicContact CD1-CB 4.49Å; F178-M184 HydrophobicContact CD1-CE 3.73Å; F178-M184 WeakPolarHBondContact CD1-O 3.4Å; F178-M184 HydrophobicContact CE1-CE 3.96Å; F178-M184 CarbonylContact O-C 3.57Å; F178-E185 WeakPolarHBondContact O-CA 3.23Å; F178-E185 PolarHBondContact O-N 3.07Å; F178-E185 VanDerWaalsContact O-N 3.1Å; F178-V187 HydrophobicContact CE1-CB 4.37Å; F178-V187 HydrophobicContact CE1-CG1 4.31Å; F178-Y188 HydrophobicContact CB-CD2 4.37Å; F178-Y188 HydrophobicContact CB-CG 4.24Å; F178-Y188 HydrophobicContact CD1-CD2 4.49Å; F178-Y188 AromaticContact CD2-CD2 3.59Å; F178-Y188 HydrophobicContact CD2-CD2 3.59Å; F178-Y188 HydrophobicContact CD2-CE2 4.33Å; F178-Y188 HydrophobicContact CD2-CG 4.26Å; F178-Y188 AromaticContact CE2-CD2 3.86Å; F178-Y188 HydrophobicContact CE2-CD2 3.86Å; F178-Y188 AromaticContact CG-CD2 3.94Å; F178-Y188 HydrophobicContact CG-CD2 3.94Å; F178-Y188 HydrophobicContact CG-CG 4.15Å; F178-Y188 HydrophobicContact CZ-CD2 4.43Å; F178-L191 HydrophobicContact CE1-CD1 4.21Å; F178-L191 HydrophobicContact CZ-CD1 3.78Å
179A82.2Confident80Confident42 Ų4269.6 Ų69.635%0.34738%0.383SS..SBendtrans-86.1-5.5177.300000113Y171 M174 P175 A176 S181Y171-A179 HydrophobicContact CD1-CB 4.17Å; M174-A179 HydrophobicContact CG-CB 4.27Å; M174-A179 HydrophobicContact SD-CB 4.05Å; P175-A179 PolarHBondContact O-N 3.3Å; A176-A179 WeakPolarHBondContact O-CB 3.49Å; A176-A179 PolarHBondContact O-N 3.43Å; A179-S181 VanDerWaalsContact C-N 3.33Å; A179-S181 PolarHBondContact O-N 2.81Å
180D80.2Confident81.4Confident123 Ų12364.2 Ų64.266%0.65835%0.346SS*.SBendtrans-70.2-25.2-174.8-70.2-18.9000113.6A176 H177 F178A176-D180 PolarHBondContact O-N 2.9Å; H177-D180 WeakPolarHBondContact CA-OD2 3.46Å; F178-D180 VanDerWaalsContact C-N 3.34Å
181S84.5Confident82.5Confident49 Ų4961.6 Ų61.634%0.34333%0.332SS..  trans-157.3157.1179.1680000113.1A179 Q183 M184 E185A179-S181 VanDerWaalsContact C-N 3.33Å; A179-S181 PolarHBondContact O-N 2.81Å; S181-Q183 PolarHBondContact O-N 2.87Å; S181-M184 PolarHBondContact O-N 3.5Å; S181-M184 VanDerWaalsContact O-N 3.11Å; S181-M184 WeakPolarHBondContact OG-CB 3.28Å; S181-M184 VanDerWaalsContact OG-CG 3.24Å; S181-M184 WeakPolarHBondContact OG-CG 3.29Å; S181-M184 PolarHBondContact OG-N 3.41Å; S181-E185 PolarHBondContact O-N 2.79Å
182E85.6Confident83.8Confident174 Ų17455.1 Ų55.181%0.81331%0.308SS*.Hα-helixtrans-57.6-34.6175.9-67-176.2171.700112.8G186E182-G186 PolarHBondContact O-N 2.98Å
183Q86.2Confident85.1Confident164 Ų16450.9 Ų50.977%0.76629%0.287SS*.Hα-helixtrans-63.9-46.9176.9-68.5179.1-10.500110.8S181 G186 V187S181-Q183 PolarHBondContact O-N 2.87Å; Q183-G186 WeakPolarHBondContact O-CA 3.19Å; Q183-G186 PolarHBondContact O-N 3.02Å; Q183-V187 WeakPolarHBondContact O-CG2 3.42Å; Q183-V187 PolarHBondContact O-N 2.93Å
184M86.3Confident86.3Confident24 Ų2449.8 Ų49.812%0.11827%0.272CS..Hα-helixtrans-67.7-38.5179.6-70.4-61.5-64.500112.1L152 V155 H177 F178 S181 G186 V187 Y188L152-M184 HydrophobicContact CD2-CE 3.48Å; L152-M184 VanDerWaalsContact CD2-CE 3.48Å; L152-M184 HydrophobicContact CD2-SD 3.79Å; V155-M184 HydrophobicContact CG2-CE 3.4Å; V155-M184 VanDerWaalsContact CG2-CE 3.4Å; V155-M184 HydrophobicContact CG2-SD 4.33Å; H177-M184 WeakPolarHBondContact O-CE 3.32Å; F178-M184 HydrophobicContact CD1-CB 4.49Å; F178-M184 HydrophobicContact CD1-CE 3.73Å; F178-M184 WeakPolarHBondContact CD1-O 3.4Å; F178-M184 HydrophobicContact CE1-CE 3.96Å; F178-M184 CarbonylContact O-C 3.57Å; S181-M184 PolarHBondContact O-N 3.5Å; S181-M184 VanDerWaalsContact O-N 3.11Å; S181-M184 WeakPolarHBondContact OG-CB 3.28Å; S181-M184 VanDerWaalsContact OG-CG 3.24Å; S181-M184 WeakPolarHBondContact OG-CG 3.29Å; S181-M184 PolarHBondContact OG-N 3.41Å; M184-G186 VanDerWaalsContact C-N 3.28Å; M184-G186 PolarHBondContact O-N 2.78Å; M184-V187 PolarHBondContact O-N 3.02Å; M184-V187 VanDerWaalsContact O-N 3.13Å; M184-Y188 PolarHBondContact O-N 2.9Å
185E87.6Confident86.9Confident96 Ų9651.2 Ų51.245%0.44928%0.279SS..Hα-helixtrans-60.8-40.8171.4-174.7177.8176.900111M174 F178 S181 V187 Y188 K189M174-E185 HydrophobicContact CE-CB 4.15Å; M174-E185 HydrophobicContact CE-CG 3.98Å; F178-E185 WeakPolarHBondContact O-CA 3.23Å; F178-E185 PolarHBondContact O-N 3.07Å; F178-E185 VanDerWaalsContact O-N 3.1Å; S181-E185 PolarHBondContact O-N 2.79Å; E185-V187 VanDerWaalsContact C-N 3.34Å; E185-V187 PolarHBondContact O-N 2.96Å; E185-Y188 PolarHBondContact O-N 2.66Å; E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.2Å
186G88.9Confident87.4Confident35 Ų3554.7 Ų54.736%0.36130%0.302SS..Hα-helixtrans-57.9-42171.300000113.3E182 Q183 M184 K189 M190E182-G186 PolarHBondContact O-N 2.98Å; Q183-G186 WeakPolarHBondContact O-CA 3.19Å; Q183-G186 PolarHBondContact O-N 3.02Å; M184-G186 VanDerWaalsContact C-N 3.28Å; M184-G186 PolarHBondContact O-N 2.78Å; G186-K189 PolarHBondContact O-N 2.95Å; G186-M190 PolarHBondContact O-N 2.76Å
187V90.9Very high87.9Confident7 Ų753.4 Ų53.44%0.04229%0.288CS..Hα-helixtrans-65.1-45.6174.6-173.70000110.9Y150 L152 F178 Q183 M184 E185 K189 M190 L191Y150-V187 HydrophobicContact CD1-CG2 4.18Å; L152-V187 HydrophobicContact CD1-CG1 4.16Å; L152-V187 HydrophobicContact CD2-CB 4.25Å; L152-V187 HydrophobicContact CD2-CG1 3.84Å; L152-V187 HydrophobicContact CD2-CG2 4.3Å; L152-V187 HydrophobicContact CG-CG1 4.16Å; F178-V187 HydrophobicContact CE1-CB 4.37Å; F178-V187 HydrophobicContact CE1-CG1 4.31Å; Q183-V187 WeakPolarHBondContact O-CG2 3.42Å; Q183-V187 PolarHBondContact O-N 2.93Å; M184-V187 PolarHBondContact O-N 3.02Å; M184-V187 VanDerWaalsContact O-N 3.13Å; E185-V187 VanDerWaalsContact C-N 3.34Å; E185-V187 PolarHBondContact O-N 2.96Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 2.67Å; V187-M190 HydrophobicContact CG1-CE 4.07Å; V187-M190 WeakPolarHBondContact O-CB 3.28Å; V187-M190 PolarHBondContact O-N 2.83Å; V187-M190 VanDerWaalsContact O-N 3.13Å; V187-L191 HydrophobicContact CG1-CD1 4.23Å; V187-L191 HydrophobicContact CG1-CG 4.39Å; V187-L191 WeakPolarHBondContact O-CG 3.5Å; V187-L191 PolarHBondContact O-N 3.32Å
188Y90.4Very high88.3Confident15 Ų1552.1 Ų52.16%0.05928%0.283CS..Hα-helixtrans-60.7-42.5178.2-174.8-107.2000112.2G173 M174 P175 F178 M184 E185 M190 L191 S192 V259G173-Y188 PolarHBondContact O-OH 3.39Å; M174-Y188 HydrophobicContact CB-CD1 3.75Å; M174-Y188 HydrophobicContact CB-CE1 3.52Å; M174-Y188 HydrophobicContact CB-CE2 4.37Å; M174-Y188 HydrophobicContact CB-CG 4.26Å; M174-Y188 HydrophobicContact CE-CD1 4.01Å; M174-Y188 HydrophobicContact CE-CG 4.17Å; P175-Y188 HydrophobicContact CG-CE2 4.42Å; F178-Y188 HydrophobicContact CB-CD2 4.37Å; F178-Y188 HydrophobicContact CB-CG 4.24Å; F178-Y188 HydrophobicContact CD1-CD2 4.49Å; F178-Y188 AromaticContact CD2-CD2 3.59Å; F178-Y188 HydrophobicContact CD2-CD2 3.59Å; F178-Y188 HydrophobicContact CD2-CE2 4.33Å; F178-Y188 HydrophobicContact CD2-CG 4.26Å; F178-Y188 AromaticContact CE2-CD2 3.86Å; F178-Y188 HydrophobicContact CE2-CD2 3.86Å; F178-Y188 AromaticContact CG-CD2 3.94Å; F178-Y188 HydrophobicContact CG-CD2 3.94Å; F178-Y188 HydrophobicContact CG-CG 4.15Å; F178-Y188 HydrophobicContact CZ-CD2 4.43Å; M184-Y188 PolarHBondContact O-N 2.9Å; E185-Y188 PolarHBondContact O-N 2.66Å; Y188-M190 VanDerWaalsContact C-N 3.32Å; Y188-M190 PolarHBondContact O-N 2.83Å; Y188-L191 WeakPolarHBondContact O-CB 3.44Å; Y188-L191 PolarHBondContact O-N 3.32Å; Y188-L191 VanDerWaalsContact O-N 3.11Å; Y188-S192 WeakPolarHBondContact O-CB 3.29Å; Y188-S192 PolarHBondContact O-N 3.27Å; Y188-S192 PolarHBondContact O-OG 2.63Å; Y188-V259 HydrophobicContact CD2-CG2 4.29Å; Y188-V259 HydrophobicContact CE2-CG2 3.7Å
189K90.4Very high88.4Confident130 Ų13054.2 Ų54.257%0.56530%0.3SS*.Hα-helixtrans-58.7-43.4173.5-170.2175.2-177.5174.50111.5E185 G186 V187 L191 S192 V193E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.2Å; G186-K189 PolarHBondContact O-N 2.95Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 2.67Å; K189-L191 VanDerWaalsContact C-N 3.29Å; K189-L191 PolarHBondContact O-N 2.77Å; K189-S192 WeakPolarHBondContact CA-OG 3.49Å; K189-S192 PolarHBondContact O-N 2.81Å; K189-S192 PolarHBondContact O-OG 2.87Å; K189-V193 HydrophobicContact CG-CG2 3.73Å; K189-V193 WeakPolarHBondContact O-CB 3.28Å; K189-V193 VanDerWaalsContact O-CG2 3.23Å; K189-V193 WeakPolarHBondContact O-CG2 3.43Å; K189-V193 PolarHBondContact O-N 2.83Å
190M92.3Very high88.6Confident12 Ų1253.5 Ų53.56%0.05929%0.292CS..Hα-helixtrans-60.9-36.5174.5-179.7-81.1-59.400112.9L93 K97 V99 Y150 G186 V187 Y188L93-M190 HydrophobicContact CD1-CE 4.19Å; L93-M190 HydrophobicContact CD1-SD 4.23Å; K97-M190 HydrophobicContact CB-CE 4.47Å; K97-M190 HydrophobicContact CB-CG 4.45Å; K97-M190 HydrophobicContact CB-SD 3.58Å; K97-M190 VanDerWaalsContact CB-SD 3.58Å; K97-M190 HydrophobicContact CG-CG 4.05Å; K97-M190 HydrophobicContact CG-SD 3.71Å; V99-M190 HydrophobicContact CG1-CE 3.69Å; Y150-M190 HydrophobicContact CD1-CE 4.44Å; Y150-M190 HydrophobicContact CD2-CE 3.56Å; Y150-M190 HydrophobicContact CD2-CG 4.33Å; Y150-M190 HydrophobicContact CD2-SD 4.37Å; Y150-M190 HydrophobicContact CE1-CB 4.34Å; Y150-M190 HydrophobicContact CE1-CG 4.28Å; Y150-M190 HydrophobicContact CE2-CE 3.95Å; Y150-M190 HydrophobicContact CE2-CG 3.75Å; Y150-M190 HydrophobicContact CE2-SD 4.2Å; Y150-M190 HydrophobicContact CG-CE 3.83Å; G186-M190 PolarHBondContact O-N 2.76Å; V187-M190 HydrophobicContact CG1-CE 4.07Å; V187-M190 WeakPolarHBondContact O-CB 3.28Å; V187-M190 PolarHBondContact O-N 2.83Å; V187-M190 VanDerWaalsContact O-N 3.13Å; Y188-M190 VanDerWaalsContact C-N 3.32Å; Y188-M190 PolarHBondContact O-N 2.83Å
191L92.9Very high88.9Confident1 Ų153.3 Ų53.31%0.00529%0.288CS..Hα-helixtrans-74-33.4178.9-67.4174.5000113.5L93 L120 F178 V187 Y188 K189 V259 Q263L93-L191 HydrophobicContact CD1-CD2 3.32Å; L120-L191 HydrophobicContact CD2-CD1 3.89Å; L120-L191 HydrophobicContact CD2-CD2 4.26Å; F178-L191 HydrophobicContact CE1-CD1 4.21Å; F178-L191 HydrophobicContact CZ-CD1 3.78Å; V187-L191 HydrophobicContact CG1-CD1 4.23Å; V187-L191 HydrophobicContact CG1-CG 4.39Å; V187-L191 WeakPolarHBondContact O-CG 3.5Å; V187-L191 PolarHBondContact O-N 3.32Å; Y188-L191 WeakPolarHBondContact O-CB 3.44Å; Y188-L191 PolarHBondContact O-N 3.32Å; Y188-L191 VanDerWaalsContact O-N 3.11Å; K189-L191 VanDerWaalsContact C-N 3.29Å; K189-L191 PolarHBondContact O-N 2.77Å; L191-V259 HydrophobicContact CB-CG1 3.9Å; L191-V259 HydrophobicContact CB-CG2 4.05Å; L191-Q263 PolarHBondContact O-NE2 2.89Å
192S91.4Very high89Confident11 Ų1154.1 Ų54.18%0.07729%0.29CS..Hα-helixtrans-102.2-11.6-169.756.50000114.5Y188 K189 T262Y188-S192 WeakPolarHBondContact O-CB 3.29Å; Y188-S192 PolarHBondContact O-N 3.27Å; Y188-S192 PolarHBondContact O-OG 2.63Å; K189-S192 WeakPolarHBondContact CA-OG 3.49Å; K189-S192 PolarHBondContact O-N 2.81Å; K189-S192 PolarHBondContact O-OG 2.87Å; S192-T262 PolarHBondContact O-OG1 3.4Å; S192-T262 VanDerWaalsContact O-OG1 3.06Å
193V91.1Very high89.1Confident28 Ų2845.8 Ų45.817%0.1725%0.251CS..SBendtrans-107.1132.2179.3-178.50000110.4K189 Q195K189-V193 HydrophobicContact CG-CG2 3.73Å; K189-V193 WeakPolarHBondContact O-CB 3.28Å; K189-V193 VanDerWaalsContact O-CG2 3.23Å; K189-V193 WeakPolarHBondContact O-CG2 3.43Å; K189-V193 PolarHBondContact O-N 2.83Å; V193-Q195 PolarHBondContact O-NE2 3.42Å
194T92.3Very high89Confident13 Ų1341.3 Ų41.38%0.0824%0.242CC..PPolyproline II helixtrans-61.2140.9175.455.60000111.1T262 Y265 E266 I294 L524T194-T262 HydrophobicContact CG2-CG2 4.23Å; T194-Y265 HydrophobicContact CG2-CD1 3.73Å; T194-Y265 HydrophobicContact CG2-CE1 3.71Å; T194-E266 WeakPolarHBondContact CA-OE1 3.34Å; T194-I294 HydrophobicContact CG2-CG2 3.88Å; T194-L524 HydrophobicContact CG2-CD1 4.48Å; T194-L524 HydrophobicContact CG2-CD2 3.82Å
195Q89.7Confident89Confident38 Ų3848.6 Ų48.618%0.17827%0.273CS..PPolyproline II helixtrans-77.2148.1178.5-59.7-58.8-65.500110.6K97 V193 E266K97-Q195 VanDerWaalsContact CE-OE1 3.3Å; V193-Q195 PolarHBondContact O-NE2 3.42Å; Q195-E266 PolarHBondContact N-OE1 3.49Å
196P89.7Confident88.9Confident83 Ų8348.2 Ų48.254%0.53927%0.272SS..PPolyproline II helixtrans-60.4153.9174.326.4-34.5000110.7
197P89Confident88.7Confident35 Ų3553.3 Ų53.323%0.22728%0.281CS..PPolyproline II helixtrans-50.1132.8175.4-28.835000111.2N295 L490P197-N295 VanDerWaalsContact CD-CG 3.46Å; P197-N295 VanDerWaalsContact CD-OD1 3.25Å; P197-N295 WeakPolarHBondContact CD-OD1 3.4Å; P197-N295 HydrophobicContact CG-CB 4.23Å; P197-L490 HydrophobicContact CB-CD2 3.92Å; P197-L490 HydrophobicContact CG-CD2 3.67Å
198P87.9Confident88.4Confident14 Ų1456.5 Ų56.59%0.09129%0.292CS..PPolyproline II helixtrans-70.9146.8-174.412.61.4000109.4I203 R269 W270 L273 S489P198-I203 HydrophobicContact CB-CD1 4.39Å; P198-I203 HydrophobicContact CB-CG1 3.96Å; P198-I203 HydrophobicContact CG-CD1 3.93Å; P198-I203 HydrophobicContact CG-CG1 3.82Å; P198-R269 VanDerWaalsContact CG-NH1 3.35Å; P198-W270 HydrophobicContact CB-CH2 3.73Å; P198-W270 HydrophobicContact CB-CZ2 4.27Å; P198-W270 HydrophobicContact CG-CH2 3.61Å; P198-W270 HydrophobicContact CG-CZ2 4.06Å; P198-W270 HydrophobicContact CG-CZ3 4.1Å; P198-L273 HydrophobicContact CG-CD1 3.97Å; P198-S489 WeakPolarHBondContact O-CB 3.18Å; P198-S489 PolarHBondContact O-OG 3Å
199A87.7Confident88.1Confident44 Ų4456.4 Ų56.436%0.36429%0.293SS..PPolyproline II helixtrans-58.7141.5172.500000110E201 V202 I203A199-E201 WeakPolarHBondContact CB-OE2 3.4Å; A199-E201 PolarHBondContact O-N 2.98Å; A199-E201 VanDerWaalsContact O-N 3.09Å; A199-V202 HydrophobicContact CB-CG2 4.18Å; A199-V202 WeakPolarHBondContact O-CB 3.4Å; A199-V202 PolarHBondContact O-N 2.79Å; A199-I203 PolarHBondContact O-N 2.73Å
200P86.1Confident87.8Confident27 Ų2754.7 Ų54.718%0.17530%0.304CS..Hα-helixtrans-56.9-30.5-176.6-25.235.8000113.1V202 I203 A204 H488 S489P200-V202 VanDerWaalsContact C-N 3.33Å; P200-I203 PolarHBondContact O-N 2.9Å; P200-A204 WeakPolarHBondContact O-CB 3.43Å; P200-A204 PolarHBondContact O-N 2.93Å; P200-H488 HydrophobicContact CB-CB 4.36Å; P200-H488 HydrophobicContact CG-CB 3.87Å; P200-S489 WeakPolarHBondContact CD-OG 3.35Å
201E86.4Confident87.4Confident120 Ų12056.4 Ų56.456%0.56132%0.317SS*.Hα-helixtrans-67.1-33176.4-58.374-160.500112.3A199 K205A199-E201 WeakPolarHBondContact CB-OE2 3.4Å; A199-E201 PolarHBondContact O-N 2.98Å; A199-E201 VanDerWaalsContact O-N 3.09Å; E201-K205 VanDerWaalsContact O-CG 3.3Å; E201-K205 WeakPolarHBondContact O-CG 3.48Å; E201-K205 PolarHBondContact O-N 2.97Å
202V86.3Confident87Confident65 Ų6558.6 Ų58.639%0.39433%0.33SS..Hα-helixtrans-68.8-48.2175.5176.80000109.1A199 P200 A204 K205 Q206 W270A199-V202 HydrophobicContact CB-CG2 4.18Å; A199-V202 WeakPolarHBondContact O-CB 3.4Å; A199-V202 PolarHBondContact O-N 2.79Å; P200-V202 VanDerWaalsContact C-N 3.33Å; V202-A204 VanDerWaalsContact C-N 3.28Å; V202-A204 PolarHBondContact O-N 3.43Å; V202-K205 PolarHBondContact O-N 3.32Å; V202-Q206 WeakPolarHBondContact O-CG 3.27Å; V202-Q206 PolarHBondContact O-N 2.81Å; V202-W270 HydrophobicContact CG1-CH2 4.38Å
203I86.8Confident86.8Confident0 Ų060.3 Ų60.30%034%0.34CS..Hα-helixtrans-58.5-43.2177.3-53.9174.2000110.3P198 A199 P200 K205 Q206 W270 L273 L274 P493P198-I203 HydrophobicContact CB-CD1 4.39Å; P198-I203 HydrophobicContact CB-CG1 3.96Å; P198-I203 HydrophobicContact CG-CD1 3.93Å; P198-I203 HydrophobicContact CG-CG1 3.82Å; A199-I203 PolarHBondContact O-N 2.73Å; P200-I203 PolarHBondContact O-N 2.9Å; I203-K205 VanDerWaalsContact C-N 3.28Å; I203-K205 PolarHBondContact O-N 3.13Å; I203-Q206 PolarHBondContact O-N 3.24Å; I203-W270 HydrophobicContact CG1-CZ3 4.39Å; I203-L273 HydrophobicContact CD1-CD1 4.33Å; I203-L274 HydrophobicContact CG2-CD2 4.25Å; I203-P493 HydrophobicContact CG2-CG 3.75Å
204A84.9Confident86.6Confident69 Ų6961 Ų6157%0.5734%0.342SS*.Hα-helixtrans-66.4-25.6-178.800000114.2P200 V202P200-A204 WeakPolarHBondContact O-CB 3.43Å; P200-A204 PolarHBondContact O-N 2.93Å; V202-A204 VanDerWaalsContact C-N 3.28Å; V202-A204 PolarHBondContact O-N 3.43Å
205K85.9Confident86.3Confident177 Ų17761.6 Ų61.677%0.7734%0.344SS*.Hα-helixtrans-81.9-22.5176.5-73.9174.5-174.1179.70113.2E201 V202 I203E201-K205 VanDerWaalsContact O-CG 3.3Å; E201-K205 WeakPolarHBondContact O-CG 3.48Å; E201-K205 PolarHBondContact O-N 2.97Å; V202-K205 PolarHBondContact O-N 3.32Å; I203-K205 VanDerWaalsContact C-N 3.28Å; I203-K205 PolarHBondContact O-N 3.13Å
206Q85.9Confident86.2Confident89 Ų8959.8 Ų59.842%0.41634%0.336SS..SBendtrans-69146.9179.6-65-54.9-33.900111.2V202 I203 R208 W270 L274V202-Q206 WeakPolarHBondContact O-CG 3.27Å; V202-Q206 PolarHBondContact O-N 2.81Å; I203-Q206 PolarHBondContact O-N 3.24Å; Q206-R208 PolarHBondContact O-N 2.92Å; Q206-W270 HydrophobicContact CG-CZ3 4.33Å; Q206-L274 HydrophobicContact CB-CD1 4.27Å; Q206-L274 HydrophobicContact CB-CD2 3.53Å; Q206-L274 HydrophobicContact CG-CD2 4.21Å
207Y84.3Confident86.1Confident141 Ų14160.1 Ų60.155%0.55333%0.33SS*.  trans-61.8136171.5174.8-98000110P209 D214Y207-P209 HydrophobicContact CE1-CB 4.36Å; Y207-D214 WeakPolarHBondContact OH-CB 3.26Å
208R85.7Confident86.1Confident75 Ų7560.6 Ų60.628%0.28333%0.33SS..  trans-128.7126.2174.4-67.3-171.6-67.8130.67.8108.9Q206 A210 L274 E275Q206-R208 PolarHBondContact O-N 2.92Å; R208-A210 PolarHBondContact O-N 3.44Å; R208-L274 HydrophobicContact CG-CB 4.21Å; R208-L274 HydrophobicContact CG-CD2 4.02Å; R208-L274 WeakPolarHBondContact CG-O 3.31Å; R208-E275 IonicContact NH1-OE1 3.62Å; R208-E275 IonicContact NH1-OE2 3.47Å; R208-E275 PolarHBondContact NH1-OE2 3.49Å
209P83.6Confident86.3Confident12 Ų1260.9 Ų60.98%0.07833%0.33CS..  trans-67.9130.4178.928.3-32.9000110.1Y207 D214 K215 D276Y207-P209 HydrophobicContact CE1-CB 4.36Å; P209-D214 HydrophobicContact CB-CB 3.83Å; P209-K215 HydrophobicContact CB-CB 4.43Å; P209-K215 HydrophobicContact CB-CG 3.54Å; P209-K215 HydrophobicContact CG-CG 3.73Å; P209-D276 VanDerWaalsContact CD-OD1 3.28Å; P209-D276 WeakPolarHBondContact CD-OD1 3.4Å; P209-D276 WeakPolarHBondContact CG-OD1 3.32Å
210A83.3Confident86.3Confident95 Ų9560.3 Ų60.379%0.78533%0.328SS*.  trans-95.3-14178.700000112.7R208 D214R208-A210 PolarHBondContact O-N 3.44Å; A210-D214 PolarHBondContact N-OD2 2.91Å
211S85.1Confident86.7Confident48 Ų4861.9 Ų61.934%0.33633%0.331SS..SBendtrans-146.6164.8-176.667.60000111.7V213 D214 K215S211-V213 PolarHBondContact O-N 3.28Å; S211-D214 PolarHBondContact N-OD2 3.43Å; S211-D214 VanDerWaalsContact N-OD2 3.1Å; S211-D214 WeakPolarHBondContact O-CB 3.36Å; S211-D214 PolarHBondContact O-N 3.49Å; S211-D214 VanDerWaalsContact O-N 3.1Å; S211-D214 PolarHBondContact OG-N 2.88Å; S211-D214 VanDerWaalsContact OG-N 3.13Å; S211-D214 PolarHBondContact OG-OD2 2.77Å; S211-K215 WeakPolarHBondContact O-CG 3.42Å; S211-K215 PolarHBondContact O-N 3.22Å
212V84.4Confident87.2Confident46 Ų4657.1 Ų57.128%0.27931%0.308SS..Hα-helixtrans-60.9-31.8173.5-178.60000111.5K215 S216 Y541 V554V212-K215 PolarHBondContact O-N 3.4Å; V212-S216 PolarHBondContact O-N 3.27Å; V212-S216 VanDerWaalsContact O-N 3.15Å; V212-Y541 HydrophobicContact CG1-CD1 3.58Å; V212-Y541 HydrophobicContact CG1-CD2 4.43Å; V212-Y541 HydrophobicContact CG1-CE1 3.89Å; V212-Y541 HydrophobicContact CG1-CG 3.86Å; V212-V554 HydrophobicContact CG1-CB 4.35Å; V212-V554 HydrophobicContact CG1-CG1 3.83Å; V212-V554 HydrophobicContact CG1-CG2 4.12Å
213V86.1Confident87.7Confident47 Ų4754 Ų5429%0.28529%0.289SS..Hα-helixtrans-63.7-45.2173.7177.70000110.6S211 K215 S216 V543 L567S211-V213 PolarHBondContact O-N 3.28Å; V213-K215 VanDerWaalsContact C-N 3.29Å; V213-K215 PolarHBondContact O-N 3.21Å; V213-S216 WeakPolarHBondContact O-CA 3.19Å; V213-S216 VanDerWaalsContact O-CB 3.27Å; V213-S216 WeakPolarHBondContact O-CB 3.37Å; V213-S216 PolarHBondContact O-N 2.84Å; V213-S216 PolarHBondContact O-OG 3.18Å; V213-V543 HydrophobicContact CG1-CG2 4.24Å; V213-V543 HydrophobicContact CG2-CG2 4.43Å; V213-L567 HydrophobicContact CG2-CD1 4.33Å; V213-L567 HydrophobicContact CG2-CD2 3.39Å
214D86.7Confident88.2Confident43 Ų4355 Ų5523%0.2329%0.294CS..Hα-helixtrans-62.2-38.2176.4-66-35000112.1Y207 P209 A210 S211 S216 H217Y207-D214 WeakPolarHBondContact OH-CB 3.26Å; P209-D214 HydrophobicContact CB-CB 3.83Å; A210-D214 PolarHBondContact N-OD2 2.91Å; S211-D214 PolarHBondContact N-OD2 3.43Å; S211-D214 VanDerWaalsContact N-OD2 3.1Å; S211-D214 WeakPolarHBondContact O-CB 3.36Å; S211-D214 PolarHBondContact O-N 3.49Å; S211-D214 VanDerWaalsContact O-N 3.1Å; S211-D214 PolarHBondContact OG-N 2.88Å; S211-D214 VanDerWaalsContact OG-N 3.13Å; S211-D214 PolarHBondContact OG-OD2 2.77Å; D214-S216 PolarHBondContact O-N 2.93Å; D214-H217 PolarHBondContact O-N 3.36Å; D214-H217 IonicContact OD1-CE1 3.68Å
215K86.7Confident88.7Confident25 Ų2551.9 Ų51.911%0.10927%0.268CS..Hα-helixtrans-61.9-25.8172.4-64.3-173.7-175.1-169.40111.7P209 S211 V212 V213 I218 H219 D276 D278 Y541P209-K215 HydrophobicContact CB-CB 4.43Å; P209-K215 HydrophobicContact CB-CG 3.54Å; P209-K215 HydrophobicContact CG-CG 3.73Å; S211-K215 WeakPolarHBondContact O-CG 3.42Å; S211-K215 PolarHBondContact O-N 3.22Å; V212-K215 PolarHBondContact O-N 3.4Å; V213-K215 VanDerWaalsContact C-N 3.29Å; V213-K215 PolarHBondContact O-N 3.21Å; K215-I218 WeakPolarHBondContact O-CG2 3.41Å; K215-H219 PolarHBondContact O-CD2 3.3Å; K215-D276 VanDerWaalsContact CE-O 3.29Å; K215-D276 WeakPolarHBondContact CE-O 3.5Å; K215-D276 PolarHBondContact NZ-O 2.95Å; K215-D278 IonicContact NZ-OD2 2.64Å; K215-D278 PolarHBondContact NZ-OD2 3.48Å; K215-Y541 HydrophobicContact CB-CD2 3.78Å; K215-Y541 HydrophobicContact CB-CE2 4.33Å; K215-Y541 HydrophobicContact CD-CD2 4.38Å; K215-Y541 HydrophobicContact CD-CE2 4.05Å
216S88.7Confident89.1Confident1 Ų144.5 Ų44.51%0.00724%0.238CC..Hα-helixtrans-73.2-26.5179.383.90000114.4V212 V213 D214 I218 H219 Y541 T609V212-S216 PolarHBondContact O-N 3.27Å; V212-S216 VanDerWaalsContact O-N 3.15Å; V213-S216 WeakPolarHBondContact O-CA 3.19Å; V213-S216 VanDerWaalsContact O-CB 3.27Å; V213-S216 WeakPolarHBondContact O-CB 3.37Å; V213-S216 PolarHBondContact O-N 2.84Å; V213-S216 PolarHBondContact O-OG 3.18Å; D214-S216 PolarHBondContact O-N 2.93Å; S216-I218 VanDerWaalsContact C-N 3.25Å; S216-I218 PolarHBondContact O-N 3.05Å; S216-H219 PolarHBondContact O-N 3.11Å; S216-H219 VanDerWaalsContact O-N 3.08Å; S216-Y541 VanDerWaalsContact CA-O 3.27Å; S216-Y541 WeakPolarHBondContact CA-O 3.29Å; S216-Y541 VanDerWaalsContact CB-O 3.28Å; S216-Y541 WeakPolarHBondContact CB-O 3.37Å; S216-T609 PolarHBondContact OG-OG1 3.48Å
217H87.1Confident89.5Confident89 Ų8944.1 Ų44.141%0.41223%0.233SC..THydrogen-bonded Turntrans-64.4-26.4-173-66.7148.7000113.9D214 H219D214-H217 PolarHBondContact O-N 3.36Å; D214-H217 IonicContact OD1-CE1 3.68Å; H217-H219 VanDerWaalsContact C-N 3.34Å
218I89.8Confident90Very high46 Ų4637.6 Ų37.624%0.23621%0.208CC..THydrogen-bonded Turntrans-66.6-38.1175.6-169.4167000111.4L131 K215 S216 G220 R221L131-I218 HydrophobicContact CD1-CG1 4.27Å; L131-I218 WeakPolarHBondContact CD1-O 3.39Å; L131-I218 HydrophobicContact CD2-CD1 4.07Å; L131-I218 HydrophobicContact CD2-CG1 3.85Å; K215-I218 WeakPolarHBondContact O-CG2 3.41Å; S216-I218 VanDerWaalsContact C-N 3.25Å; S216-I218 PolarHBondContact O-N 3.05Å; I218-G220 VanDerWaalsContact C-N 3.29Å; I218-G220 PolarHBondContact O-N 2.7Å; I218-R221 PolarHBondContact O-N 3.41Å
219H90.1Very high90.5Very high20 Ų2034 Ų349%0.09320%0.195CC..G310 helixtrans-72.8-21.4-172.2-58.4-75.3000113K215 S216 H217 R221 W222 S540 Y541 I614 F618K215-H219 PolarHBondContact O-CD2 3.3Å; S216-H219 PolarHBondContact O-N 3.11Å; S216-H219 VanDerWaalsContact O-N 3.08Å; H217-H219 VanDerWaalsContact C-N 3.34Å; H219-R221 PolarHBondContact O-N 3.08Å; H219-W222 AromaticContact ND1-NE1 3.74Å; H219-W222 VanDerWaalsContact O-CD1 3.25Å; H219-S540 VanDerWaalsContact CE1-CA 3.49Å; H219-S540 WeakPolarHBondContact CE1-CA 3.5Å; H219-S540 WeakPolarHBondContact CE1-CB 3.49Å; H219-S540 PolarHBondContact CE1-OG 3.49Å; H219-S540 VanDerWaalsContact CE1-OG 3.23Å; H219-Y541 PolarHBondContact CD2-N 2.71Å; H219-Y541 PolarHBondContact CD2-O 3.07Å; H219-Y541 PolarHBondContact NE2-N 2.82Å; H219-I614 VanDerWaalsContact O-CG2 3.31Å; H219-I614 WeakPolarHBondContact O-CG2 3.49Å; H219-F618 HydrophobicContact CB-CE2 4.45Å; H219-F618 AromaticContact ND1-CZ 3.88Å
220G89.7Confident91.1Very high31 Ų3134.1 Ų34.132%0.3219%0.194SC..G310 helixtrans-71-8.3173.100000115I218I218-G220 VanDerWaalsContact C-N 3.29Å; I218-G220 PolarHBondContact O-N 2.7Å
221R94.1Very high91.6Very high61 Ų6132.3 Ų32.323%0.2317%0.17CC..G310 helixtrans-104.40.6-173.7-68.5-174.5-68.6137.1-7.5114.7L131 R132 P133 V134 I218 H219L131-R221 HydrophobicContact CD1-CB 3.79Å; L131-R221 HydrophobicContact CG-CB 4.29Å; R132-R221 HydrophobicContact CB-CB 4.23Å; R132-R221 PolarHBondContact N-O 2.77Å; R132-R221 PolarHBondContact O-NH1 3.46Å; P133-R221 VanDerWaalsContact C-NH1 3.26Å; V134-R221 VanDerWaalsContact CG2-CZ 3.43Å; V134-R221 VanDerWaalsContact N-NH1 3.17Å; I218-R221 PolarHBondContact O-N 3.41Å; H219-R221 PolarHBondContact O-N 3.08Å
222W96.9Very high92.1Very high20 Ų2031.7 Ų31.78%0.07616%0.162CC..BIsolated β-bridgetrans-64.6138.9175.5-69.6110.1000110L131 H219 R243 K245 I614 F618L131-W222 HydrophobicContact CB-CD2 4.4Å; L131-W222 HydrophobicContact CB-CE3 3.84Å; L131-W222 HydrophobicContact CB-CZ3 3.9Å; L131-W222 HydrophobicContact CD1-CD2 3.55Å; L131-W222 HydrophobicContact CD1-CE3 3.88Å; L131-W222 HydrophobicContact CD1-CG 3.86Å; L131-W222 HydrophobicContact CD1-CZ2 4.31Å; L131-W222 HydrophobicContact CD1-CZ3 4.39Å; L131-W222 HydrophobicContact CG-CE3 4.5Å; H219-W222 AromaticContact ND1-NE1 3.74Å; H219-W222 VanDerWaalsContact O-CD1 3.25Å; W222-R243 HydrophobicContact CH2-CB 3.52Å; W222-R243 HydrophobicContact CZ3-CB 4.03Å; W222-K245 HydrophobicContact CD2-CD 3.96Å; W222-K245 HydrophobicContact CD2-CG 4.18Å; W222-K245 HydrophobicContact CE3-CB 4.43Å; W222-K245 HydrophobicContact CE3-CD 3.95Å; W222-K245 HydrophobicContact CE3-CG 4.3Å; W222-K245 HydrophobicContact CG-CD 4.36Å; W222-K245 HydrophobicContact CH2-CB 3.65Å; W222-K245 HydrophobicContact CH2-CG 4.08Å; W222-K245 HydrophobicContact CZ2-CB 4.01Å; W222-K245 HydrophobicContact CZ2-CG 4.01Å; W222-K245 HydrophobicContact CZ3-CB 3.91Å; W222-K245 HydrophobicContact CZ3-CD 4.28Å; W222-K245 HydrophobicContact CZ3-CG 4.26Å; W222-I614 HydrophobicContact CB-CD1 4.17Å; W222-F618 AromaticContact CD1-CE2 3.88Å; W222-F618 AromaticContact CD1-CZ 3.81Å; W222-F618 AromaticContact NE1-CZ 3.67Å
223L97.1Very high92.6Very high0 Ų031.5 Ų31.50%017%0.168CC..  trans-72.2148.7170.3-62.6-167.3000110.1V109 L130 R132 S225 L229 I234 L240V109-L223 HydrophobicContact CG1-CB 4.23Å; V109-L223 HydrophobicContact CG2-CB 4.26Å; V109-L223 HydrophobicContact CG2-CD1 4.2Å; L130-L223 HydrophobicContact CB-CB 4.45Å; L130-L223 HydrophobicContact CB-CD1 3.81Å; L130-L223 HydrophobicContact CB-CG 4.15Å; L130-L223 HydrophobicContact CD1-CD1 4.38Å; L130-L223 PolarHBondContact O-N 3.14Å; R132-L223 HydrophobicContact CG-CD2 3.74Å; R132-L223 VanDerWaalsContact NH2-CD2 3.29Å; L223-S225 PolarHBondContact O-N 3.48Å; L223-L229 HydrophobicContact CD1-CD2 3.68Å; L223-I234 HydrophobicContact CD1-CG1 4.26Å; L223-L240 HydrophobicContact CD1-CD1 3.75Å; L223-L240 HydrophobicContact CD1-CD2 4.16Å
224D95.5Very high93.1Very high20 Ų2029.4 Ų29.411%0.10716%0.156CC..  trans-71115.7172.5176.8-7.2000109.3S226 R227 Q232 K613D224-S226 PolarHBondContact O-N 3.31Å; D224-S226 WeakPolarHBondContact OD1-CB 3.39Å; D224-S226 PolarHBondContact OD1-N 3.25Å; D224-S226 PolarHBondContact OD1-OG 3.39Å; D224-S226 PolarHBondContact OD2-OG 2.91Å; D224-R227 HydrophobicContact CB-CB 4.38Å; D224-R227 PolarHBondContact O-N 3.42Å; D224-R227 WeakPolarHBondContact OD2-CD 2.9Å; D224-Q232 PolarHBondContact O-NE2 3.2Å; D224-K613 WeakPolarHBondContact OD1-CE 3.34Å; D224-K613 IonicContact OD1-NZ 3.54Å; D224-K613 PolarHBondContact OD1-NZ 3.5Å; D224-K613 WeakPolarHBondContact OD2-CE 3.45Å; D224-K613 IonicContact OD2-NZ 3.55Å
225S96.3Very high93.4Very high3 Ų332.8 Ų32.82%0.02117%0.17CC..THydrogen-bonded Turntrans-67.2-17.2-176.1-63.70000113.5V109 F110 L223 E617V109-S225 PolarHBondContact N-O 3.26Å; F110-S225 WeakPolarHBondContact CB-O 3.09Å; F110-S225 PolarHBondContact N-O 2.81Å; L223-S225 PolarHBondContact O-N 3.48Å; S225-E617 VanDerWaalsContact CB-OE1 3.23Å; S225-E617 WeakPolarHBondContact CB-OE1 3.34Å; S225-E617 PolarHBondContact N-OE2 2.95Å; S225-E617 VanDerWaalsContact N-OE2 3.16Å; S225-E617 PolarHBondContact OG-OE1 2.97Å
226S93.5Very high93.7Very high22 Ų2235.3 Ų35.315%0.15418%0.182CC..THydrogen-bonded Turntrans-91.2-11.5-178.8650000114.8D224 K613D224-S226 PolarHBondContact O-N 3.31Å; D224-S226 WeakPolarHBondContact OD1-CB 3.39Å; D224-S226 PolarHBondContact OD1-N 3.25Å; D224-S226 PolarHBondContact OD1-OG 3.39Å; D224-S226 PolarHBondContact OD2-OG 2.91Å; S226-K613 PolarHBondContact OG-NZ 3Å
227R93.9Very high94Very high81 Ų8138.7 Ų38.731%0.30620%0.2SC..SBendtrans-109.3155.3178.4-75.2-179.2152.7-150.5-2.5111.1V109 D224 Q231 Q232 E649V109-R227 WeakPolarHBondContact CG2-O 3.45Å; V109-R227 PolarHBondContact N-O 2.83Å; D224-R227 HydrophobicContact CB-CB 4.38Å; D224-R227 PolarHBondContact O-N 3.42Å; D224-R227 WeakPolarHBondContact OD2-CD 2.9Å; R227-Q231 HydrophobicContact CB-CB 4.24Å; R227-Q232 HydrophobicContact CB-CG 4.17Å; R227-Q232 PolarHBondContact O-NE2 3.38Å; R227-E649 IonicContact CZ-OE2 3.77Å; R227-E649 VanDerWaalsContact CZ-OE2 3.28Å; R227-E649 IonicContact NE-OE2 3.95Å; R227-E649 PolarHBondContact NE-OE2 3.24Å; R227-E649 IonicContact NH2-OE1 3.99Å; R227-E649 PolarHBondContact NH2-OE1 3.45Å; R227-E649 VanDerWaalsContact NH2-OE1 3.14Å; R227-E649 IonicContact NH2-OE2 2.73Å; R227-E649 PolarHBondContact NH2-OE2 3.42Å
228C95.7Very high94.4Very high4 Ų437.3 Ų37.33%0.02720%0.196CC..BIsolated β-bridgetrans-76.6166.4175.676.30000112.3F105 S106 N107 M230 Q231 Q232F105-C228 WeakPolarHBondContact O-CB 3.44Å; F105-C228 PolarHBondContact O-SG 2.81Å; F105-C228 VanDerWaalsContact O-SG 3.36Å; S106-C228 WeakPolarHBondContact O-CB 3.22Å; N107-C228 WeakPolarHBondContact O-CA 3.41Å; N107-C228 WeakPolarHBondContact O-CB 2.97Å; C228-M230 VanDerWaalsContact C-N 3.31Å; C228-M230 PolarHBondContact O-N 3.4Å; C228-Q231 PolarHBondContact O-N 2.91Å; C228-Q231 VanDerWaalsContact SG-CG 3.5Å; C228-Q231 PolarHBondContact SG-N 2.78Å; C228-Q232 WeakPolarHBondContact O-CG 3.38Å; C228-Q232 PolarHBondContact O-NE2 2.84Å
229L97.1Very high94.6Very high0 Ų038.5 Ų38.50%020%0.197CC..THydrogen-bonded Turntrans-57.9-44-179.7-70.8178.6000112.2A103 F105 V109 T112 L130 L223 Q231 Q232 G233 I234 L240A103-L229 HydrophobicContact CB-CD1 4.35Å; F105-L229 HydrophobicContact CD1-CB 3.94Å; F105-L229 HydrophobicContact CD1-CD1 4.37Å; F105-L229 HydrophobicContact CD2-CD1 3.9Å; F105-L229 HydrophobicContact CE1-CB 4.35Å; F105-L229 HydrophobicContact CE1-CD1 4.39Å; F105-L229 HydrophobicContact CE2-CD1 3.9Å; F105-L229 HydrophobicContact CG-CB 4.16Å; F105-L229 HydrophobicContact CG-CD1 4.13Å; F105-L229 HydrophobicContact CZ-CD1 4.17Å; V109-L229 HydrophobicContact CG2-CD2 3.75Å; V109-L229 HydrophobicContact CG2-CG 4.31Å; T112-L229 HydrophobicContact CG2-CD1 4Å; T112-L229 HydrophobicContact CG2-CG 4.47Å; L130-L229 HydrophobicContact CD1-CD2 3.87Å; L223-L229 HydrophobicContact CD1-CD2 3.68Å; L229-Q231 PolarHBondContact O-N 2.8Å; L229-Q232 CarbonylContact O-C 3.57Å; L229-Q232 PolarHBondContact O-N 3.27Å; L229-Q232 VanDerWaalsContact O-N 3.1Å; L229-G233 PolarHBondContact O-N 3.34Å; L229-I234 HydrophobicContact CB-CB 4.05Å; L229-I234 HydrophobicContact CB-CG1 4.43Å; L229-I234 HydrophobicContact CB-CG2 4.38Å; L229-I234 HydrophobicContact CD2-CG1 4.25Å; L229-I234 WeakPolarHBondContact O-CB 3.28Å; L229-I234 WeakPolarHBondContact O-CG1 3.41Å; L229-I234 PolarHBondContact O-N 2.79Å; L229-I234 VanDerWaalsContact O-N 3.13Å; L229-L240 HydrophobicContact CD2-CD1 3.88Å
230M94.7Very high95Very high14 Ų1437.6 Ų37.67%0.06919%0.193CC..G310 helixtrans-68-35.9-177.7-114.2163.253.700113.6W54 W61 M83 F105 C228 Q232 G233W54-M230 HydrophobicContact CB-CE 3.87Å; W54-M230 HydrophobicContact CD2-CE 2.97Å; W54-M230 HydrophobicContact CE3-CE 3.08Å; W54-M230 HydrophobicContact CG-CE 3.35Å; W54-M230 HydrophobicContact CH2-CB 4.04Å; W54-M230 HydrophobicContact CH2-CE 3.82Å; W54-M230 HydrophobicContact CZ2-CB 4.37Å; W54-M230 HydrophobicContact CZ2-CE 3.76Å; W54-M230 HydrophobicContact CZ3-CB 4.31Å; W54-M230 HydrophobicContact CZ3-CE 3.51Å; W61-M230 HydrophobicContact CD2-CE 4.25Å; W61-M230 HydrophobicContact CH2-CE 4.14Å; W61-M230 HydrophobicContact CH2-SD 4.21Å; W61-M230 HydrophobicContact CZ2-CE 3.33Å; W61-M230 HydrophobicContact CZ2-SD 3.37Å; W61-M230 WeakPolarHBondContact CZ2-SD 3.42Å; M83-M230 HydrophobicContact CE-CE 3.19Å; M83-M230 HydrophobicContact CE-SD 3.27Å; M83-M230 WeakPolarHBondContact CE-SD 3.37Å; M83-M230 HydrophobicContact SD-SD 4.33Å; F105-M230 HydrophobicContact CB-SD 4.25Å; F105-M230 HydrophobicContact CD1-CG 4.22Å; C228-M230 VanDerWaalsContact C-N 3.31Å; C228-M230 PolarHBondContact O-N 3.4Å; M230-Q232 PolarHBondContact O-N 2.79Å; M230-Q232 VanDerWaalsContact O-N 3.11Å; M230-G233 PolarHBondContact O-N 3.23Å
231Q94.8Very high95.4Very high57 Ų5738.5 Ų38.527%0.26619%0.187SC..G310 helixtrans-60.8-19.4173.2-82.9175.5-32.300113.3W54 Q59 R227 C228 L229W54-Q231 HydrophobicContact CH2-CG 3.93Å; W54-Q231 HydrophobicContact CZ3-CG 4.34Å; Q59-Q231 WeakPolarHBondContact O-CG 3.37Å; Q59-Q231 PolarHBondContact O-NE2 3.17Å; R227-Q231 HydrophobicContact CB-CB 4.24Å; C228-Q231 PolarHBondContact O-N 2.91Å; C228-Q231 VanDerWaalsContact SG-CG 3.5Å; C228-Q231 PolarHBondContact SG-N 2.78Å; L229-Q231 PolarHBondContact O-N 2.8Å
232Q94.6Very high95.6Very high36 Ų3635.7 Ų35.717%0.16818%0.177CC..G310 helixtrans-103.210.6178.2-54.7-177.262.100110.7R132 D224 R227 C228 L229 M230 I234R132-Q232 PolarHBondContact NH2-O 3.18Å; D224-Q232 PolarHBondContact O-NE2 3.2Å; R227-Q232 HydrophobicContact CB-CG 4.17Å; R227-Q232 PolarHBondContact O-NE2 3.38Å; C228-Q232 WeakPolarHBondContact O-CG 3.38Å; C228-Q232 PolarHBondContact O-NE2 2.84Å; L229-Q232 CarbonylContact O-C 3.57Å; L229-Q232 PolarHBondContact O-N 3.27Å; L229-Q232 VanDerWaalsContact O-N 3.1Å; M230-Q232 PolarHBondContact O-N 2.79Å; M230-Q232 VanDerWaalsContact O-N 3.11Å; Q232-I234 VanDerWaalsContact C-N 3.31Å; Q232-I234 PolarHBondContact O-N 3.32Å
233G94.8Very high95.6Very high41 Ų4137.3 Ų37.342%0.42318%0.183SC..THydrogen-bonded Turntrans72.519.417700000114.7L229 M230L229-G233 PolarHBondContact O-N 3.34Å; M230-G233 PolarHBondContact O-N 3.23Å
234I96.6Very high95.6Very high3 Ų337.3 Ų37.32%0.01518%0.183CC..  trans-76.3130.5170.9-55.6-60.1000109.1L89 F105 L223 L229 Q232 D238 L240L89-I234 HydrophobicContact CD1-CG2 4.1Å; F105-I234 HydrophobicContact CE1-CG2 3.96Å; F105-I234 HydrophobicContact CZ-CG2 4.31Å; L223-I234 HydrophobicContact CD1-CG1 4.26Å; L229-I234 HydrophobicContact CB-CB 4.05Å; L229-I234 HydrophobicContact CB-CG1 4.43Å; L229-I234 HydrophobicContact CB-CG2 4.38Å; L229-I234 HydrophobicContact CD2-CG1 4.25Å; L229-I234 WeakPolarHBondContact O-CB 3.28Å; L229-I234 WeakPolarHBondContact O-CG1 3.41Å; L229-I234 PolarHBondContact O-N 2.79Å; L229-I234 VanDerWaalsContact O-N 3.13Å; Q232-I234 VanDerWaalsContact C-N 3.31Å; Q232-I234 PolarHBondContact O-N 3.32Å; I234-D238 HydrophobicContact CG2-CB 4.03Å; I234-L240 HydrophobicContact CD1-CD1 4.33Å; I234-L240 HydrophobicContact CD1-CD2 3.83Å; I234-L240 HydrophobicContact CD1-CG 4.43Å; I234-L240 HydrophobicContact CG1-CD1 4.35Å; I234-L240 HydrophobicContact CG2-CD1 4.18Å
235Q93.9Very high95.7Very high115 Ų11536.4 Ų36.454%0.53718%0.178SC..  trans-105.8168.7179.4-57.9-58.8-3700111.6D238Q235-D238 PolarHBondContact N-OD2 2.86Å; Q235-D238 VanDerWaalsContact O-CB 3.3Å; Q235-D238 WeakPolarHBondContact O-CB 3.31Å; Q235-D238 PolarHBondContact O-N 2.95Å
236E93.3Very high95.7Very high78 Ų7836.4 Ų36.436%0.36418%0.177SC..THydrogen-bonded Turntrans-59.4140.5172.4-172.7174.8161.800111.3K87 P88 D238K87-E236 HydrophobicContact CB-CB 4.38Å; K87-E236 HydrophobicContact CB-CG 4.09Å; K87-E236 HydrophobicContact CD-CB 4.32Å; K87-E236 IonicContact NZ-OE2 2.66Å; K87-E236 PolarHBondContact NZ-OE2 2.92Å; P88-E236 HydrophobicContact CB-CG 4.49Å; P88-E236 WeakPolarHBondContact CD-OE1 3.39Å; P88-E236 HydrophobicContact CG-CG 4.46Å; E236-D238 PolarHBondContact O-N 3.2Å
237N94.3Very high95.7Very high72 Ų7237.5 Ų37.539%0.38518%0.178SC..THydrogen-bonded Turntrans64.75.6-176.7-60.5-61.8000115.8P88P88-N237 PolarHBondContact O-N 3.37Å
238D95.4Very high95.6Very high59 Ų5935.4 Ų35.432%0.31618%0.177SC..  trans-61155.5171.5-84.5-8.4000111.3L89 K90 I234 Q235 E236L89-D238 WeakPolarHBondContact CD1-O 3.39Å; K90-D238 PolarHBondContact N-O 3.27Å; I234-D238 HydrophobicContact CG2-CB 4.03Å; Q235-D238 PolarHBondContact N-OD2 2.86Å; Q235-D238 VanDerWaalsContact O-CB 3.3Å; Q235-D238 WeakPolarHBondContact O-CB 3.31Å; Q235-D238 PolarHBondContact O-N 2.95Å; E236-D238 PolarHBondContact O-N 3.2Å
239R95.3Very high95.5Very high71 Ų7136.9 Ų36.927%0.26818%0.183SC..EExtended strand (participates in β ladder)trans-96.9128.9175.7-172.8-179.3-173.2136.27110.7K90 T98 P133 E147 W241K90-R239 HydrophobicContact CB-CB 4.39Å; K90-R239 CarbonylContact O-C 3.27Å; K90-R239 VanDerWaalsContact O-CA 3.28Å; K90-R239 WeakPolarHBondContact O-CA 3.49Å; T98-R239 PolarHBondContact OG1-NH2 3.3Å; P133-R239 WeakPolarHBondContact CD-O 3.21Å; P133-R239 HydrophobicContact CG-CB 4.43Å; P133-R239 WeakPolarHBondContact CG-O 3.43Å; E147-R239 IonicContact OE1-CZ 3.12Å; E147-R239 IonicContact OE1-NH1 2.95Å; E147-R239 PolarHBondContact OE1-NH1 3.07Å; E147-R239 IonicContact OE1-NH2 2.74Å; E147-R239 PolarHBondContact OE1-NH2 2.83Å; E147-R239 IonicContact OE2-NH1 2.71Å; E147-R239 PolarHBondContact OE2-NH1 3.45Å; R239-W241 VanDerWaalsContact NH2-CH2 3.31Å
240L97.6Very high94.9Very high1 Ų140.1 Ų40.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-126158.6167.8-69177.5000110.1L89 K90 L91 G92 L130 R132 L223 L229 I234L89-L240 HydrophobicContact CD1-CD1 3.97Å; L89-L240 HydrophobicContact CD1-CG 4.2Å; L89-L240 HydrophobicContact CD2-CD1 4.08Å; K90-L240 PolarHBondContact O-N 3.21Å; L91-L240 CarbonylContact C-O 3.54Å; L91-L240 WeakPolarHBondContact CA-O 3.41Å; L91-L240 HydrophobicContact CD1-CB 4.42Å; G92-L240 PolarHBondContact N-O 2.82Å; L130-L240 HydrophobicContact CB-CD1 4.31Å; L130-L240 HydrophobicContact CD1-CD1 3.98Å; R132-L240 HydrophobicContact CG-CD2 4.21Å; L223-L240 HydrophobicContact CD1-CD1 3.75Å; L223-L240 HydrophobicContact CD1-CD2 4.16Å; L229-L240 HydrophobicContact CD2-CD1 3.88Å; I234-L240 HydrophobicContact CD1-CD1 4.33Å; I234-L240 HydrophobicContact CD1-CD2 3.83Å; I234-L240 HydrophobicContact CD1-CG 4.43Å; I234-L240 HydrophobicContact CG1-CD1 4.35Å; I234-L240 HydrophobicContact CG2-CD1 4.18Å
241W97.4Very high94.5Very high50 Ų5042.8 Ų42.819%0.18921%0.21CC..EExtended strand (participates in β ladder)trans-104.4129.3172.8-68.198.9000110G92 L130 L131 R239 R243G92-W241 VanDerWaalsContact CA-CE3 3.45Å; G92-W241 WeakPolarHBondContact O-CA 3.03Å; L130-W241 WeakPolarHBondContact CA-O 3.36Å; L131-W241 HydrophobicContact CB-CB 4.14Å; L131-W241 HydrophobicContact CD2-CB 4.49Å; L131-W241 PolarHBondContact N-O 3.44Å; L131-W241 PolarHBondContact O-N 2.8Å; R239-W241 VanDerWaalsContact NH2-CH2 3.31Å; W241-R243 HydrophobicContact CB-CG 4.15Å
242L98.3Very high94.2Very high2 Ų241.8 Ų41.81%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-85.2123.5164.5-174.566.1000108.5L91 G92 L93 P94 I116 L120 I122 L128 L130L91-L242 HydrophobicContact CD1-CB 3.91Å; L91-L242 HydrophobicContact CD2-CB 3.92Å; L91-L242 HydrophobicContact CD2-CD2 4.12Å; L91-L242 HydrophobicContact CG-CB 3.9Å; G92-L242 PolarHBondContact O-N 3.48Å; L93-L242 HydrophobicContact CD2-CD2 4.31Å; P94-L242 WeakPolarHBondContact CD-O 3.38Å; I116-L242 HydrophobicContact CG2-CD2 4.35Å; L120-L242 HydrophobicContact CD1-CD2 3.9Å; I122-L242 HydrophobicContact CD1-CD2 4.11Å; L128-L242 HydrophobicContact CB-CD1 4.05Å; L128-L242 HydrophobicContact CD2-CD1 4.09Å; L128-L242 HydrophobicContact CD2-CD2 4.07Å; L128-L242 HydrophobicContact CD2-CG 3.89Å; L130-L242 HydrophobicContact CD2-CD1 4.25Å
243R97.9Very high93.8Very high54 Ų5441.9 Ų41.920%0.20421%0.206CC..EExtended strand (participates in β ladder)trans-142.1147.6-178.6-65.7-67.9-88.5-101.7-1.4110.2L128 S129 L131 W222 W241 K245L128-R243 WeakPolarHBondContact CA-O 3.44Å; S129-R243 PolarHBondContact N-O 2.98Å; S129-R243 PolarHBondContact O-N 3.19Å; L131-R243 HydrophobicContact CD2-CG 4.43Å; W222-R243 HydrophobicContact CH2-CB 3.52Å; W222-R243 HydrophobicContact CZ3-CB 4.03Å; W241-R243 HydrophobicContact CB-CG 4.15Å; R243-K245 PolarHBondContact O-N 2.87Å
244F97.8Very high93.4Very high1 Ų142 Ų420%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-67.5117.7167.6-66.4-95.8000108.1E127 L128 F249 R260 Q263 L264 Q267E127-F244 HydrophobicContact CB-CD1 4.23Å; E127-F244 CarbonylContact O-C 3.53Å; L128-F244 HydrophobicContact CD1-CD1 4.14Å; L128-F244 HydrophobicContact CD1-CE1 3.91Å; L128-F244 HydrophobicContact CD2-CD1 4.25Å; L128-F244 HydrophobicContact CD2-CD2 4.28Å; L128-F244 HydrophobicContact CD2-CE1 4.11Å; L128-F244 HydrophobicContact CD2-CE2 4.11Å; L128-F244 HydrophobicContact CD2-CG 4.35Å; L128-F244 HydrophobicContact CD2-CZ 4.03Å; L128-F244 HydrophobicContact CG-CD1 3.86Å; L128-F244 HydrophobicContact CG-CE1 3.99Å; L128-F244 HydrophobicContact CG-CG 4.21Å; L128-F244 HydrophobicContact CG-CZ 4.42Å; F244-F249 HydrophobicContact CB-CE1 4.19Å; F244-F249 HydrophobicContact CD1-CD1 4.23Å; F244-F249 AromaticContact CD1-CE1 3.75Å; F244-F249 HydrophobicContact CD1-CE1 3.75Å; F244-F249 HydrophobicContact CG-CE1 4.22Å; F244-R260 HydrophobicContact CE1-CG 4.25Å; F244-R260 HydrophobicContact CZ-CG 4.17Å; F244-Q263 HydrophobicContact CE2-CB 4.13Å; F244-L264 HydrophobicContact CB-CD1 4.48Å; F244-L264 HydrophobicContact CD1-CD1 4.07Å; F244-L264 HydrophobicContact CD2-CB 4.48Å; F244-L264 HydrophobicContact CD2-CD1 3.93Å; F244-L264 HydrophobicContact CE1-CB 4.35Å; F244-L264 HydrophobicContact CE1-CD1 4.26Å; F244-L264 HydrophobicContact CE2-CB 3.85Å; F244-L264 HydrophobicContact CE2-CD1 4.14Å; F244-L264 HydrophobicContact CG-CD1 3.9Å; F244-L264 HydrophobicContact CZ-CB 3.77Å; F244-L264 HydrophobicContact CZ-CD1 4.29Å; F244-Q267 PolarHBondContact O-NE2 3.38Å
245K97Very high92.7Very high1 Ų148.2 Ų48.20%0.00423%0.227CC..  trans-96.8-42.8-176.3-178.8174.6178.6173.10111.1E127 W222 R243 E617 F618E127-K245 PolarHBondContact O-N 3.41Å; W222-K245 HydrophobicContact CD2-CD 3.96Å; W222-K245 HydrophobicContact CD2-CG 4.18Å; W222-K245 HydrophobicContact CE3-CB 4.43Å; W222-K245 HydrophobicContact CE3-CD 3.95Å; W222-K245 HydrophobicContact CE3-CG 4.3Å; W222-K245 HydrophobicContact CG-CD 4.36Å; W222-K245 HydrophobicContact CH2-CB 3.65Å; W222-K245 HydrophobicContact CH2-CG 4.08Å; W222-K245 HydrophobicContact CZ2-CB 4.01Å; W222-K245 HydrophobicContact CZ2-CG 4.01Å; W222-K245 HydrophobicContact CZ3-CB 3.91Å; W222-K245 HydrophobicContact CZ3-CD 4.28Å; W222-K245 HydrophobicContact CZ3-CG 4.26Å; R243-K245 PolarHBondContact O-N 2.87Å; K245-E617 IonicContact NZ-OE1 2.82Å; K245-E617 PolarHBondContact NZ-OE1 3.2Å; K245-E617 IonicContact NZ-OE2 3.61Å; K245-F618 HydrophobicContact CD-CE1 4.5Å; K245-F618 HydrophobicContact CG-CE1 3.76Å; K245-F618 HydrophobicContact CG-CZ 4.02Å
246Y96.5Very high92.2Very high2 Ų244.8 Ų44.81%0.00821%0.209CC..SBendtrans-104.2117-178.5-56.1-77.4000110.6E126 E127 S248 E617 F618 Y622 M625E126-Y246 WeakPolarHBondContact O-CD2 3.42Å; E127-Y246 PolarHBondContact O-N 3.38Å; E127-Y246 VanDerWaalsContact O-N 3.09Å; Y246-S248 PolarHBondContact O-N 3.34Å; Y246-E617 PolarHBondContact OH-O 3.02Å; Y246-F618 HydrophobicContact CD1-CD1 4.47Å; Y246-F618 HydrophobicContact CE1-CD1 4.14Å; Y246-Y622 AromaticContact CD1-CD1 3.9Å; Y246-Y622 HydrophobicContact CD1-CD1 3.9Å; Y246-Y622 HydrophobicContact CD1-CD2 4.38Å; Y246-Y622 AromaticContact CD1-CE1 3.98Å; Y246-Y622 HydrophobicContact CD1-CE1 3.98Å; Y246-Y622 HydrophobicContact CD1-CE2 4.42Å; Y246-Y622 HydrophobicContact CD1-CG 4.12Å; Y246-M625 HydrophobicContact CG-CG 4.16Å
247Y93.9Very high92.1Very high45 Ų4541.1 Ų41.118%0.17619%0.192CC..  trans-85.856.6-174.5-73.4-128.7000110.1F249 Q267 W531 F537 G538 P559Y247-F249 HydrophobicContact CG-CZ 4.47Å; Y247-Q267 PolarHBondContact OH-NE2 2.8Å; Y247-W531 AromaticContact CD1-CH2 3.88Å; Y247-W531 HydrophobicContact CD1-CH2 3.88Å; Y247-W531 HydrophobicContact CD1-CZ2 4.06Å; Y247-W531 AromaticContact CE1-CH2 3.57Å; Y247-W531 HydrophobicContact CE1-CH2 3.57Å; Y247-W531 AromaticContact CE1-CZ2 3.43Å; Y247-W531 HydrophobicContact CE1-CZ2 3.43Å; Y247-W531 VanDerWaalsContact CE1-CZ2 3.43Å; Y247-F537 HydrophobicContact CD1-CD2 4.02Å; Y247-F537 HydrophobicContact CD1-CE1 4.48Å; Y247-F537 AromaticContact CD1-CE2 3.49Å; Y247-F537 HydrophobicContact CD1-CE2 3.49Å; Y247-F537 VanDerWaalsContact CD1-CE2 3.49Å; Y247-F537 AromaticContact CD1-CZ 3.73Å; Y247-F537 HydrophobicContact CD1-CZ 3.73Å; Y247-F537 HydrophobicContact CE1-CE2 4.25Å; Y247-F537 HydrophobicContact CG-CE2 4.42Å; Y247-F537 HydrophobicContact CG-CZ 4.24Å; Y247-G538 VanDerWaalsContact CD1-CA 3.46Å; Y247-P559 WeakPolarHBondContact O-CG 3.5Å
248S91.3Very high92Very high38 Ų3840 Ų4027%0.26619%0.188SC..  trans-142.981.6180-64.80000107.4Y246 P559 M625Y246-S248 PolarHBondContact O-N 3.34Å; S248-P559 WeakPolarHBondContact OG-CB 3.46Å; S248-M625 VanDerWaalsContact O-CE 3.28Å; S248-M625 WeakPolarHBondContact O-CE 3.42Å
249F92.3Very high91.9Very high35 Ų3537.2 Ų37.215%0.15417%0.173CC..  trans-84.9118.5-171.8-47.7-63.8000110.3E127 F244 Y247 I252 L264 W531 F537E127-F249 VanDerWaalsContact OE1-CA 3.32Å; E127-F249 WeakPolarHBondContact OE1-CA 3.5Å; F244-F249 HydrophobicContact CB-CE1 4.19Å; F244-F249 HydrophobicContact CD1-CD1 4.23Å; F244-F249 AromaticContact CD1-CE1 3.75Å; F244-F249 HydrophobicContact CD1-CE1 3.75Å; F244-F249 HydrophobicContact CG-CE1 4.22Å; Y247-F249 HydrophobicContact CG-CZ 4.47Å; F249-I252 HydrophobicContact CB-CD1 3.75Å; F249-I252 HydrophobicContact CB-CG1 4.16Å; F249-I252 HydrophobicContact CG-CD1 4.44Å; F249-L264 HydrophobicContact CD1-CD1 4.26Å; F249-L264 HydrophobicContact CD1-CD2 3.99Å; F249-L264 HydrophobicContact CD2-CD2 4.02Å; F249-L264 HydrophobicContact CE1-CD1 3.59Å; F249-L264 HydrophobicContact CE1-CD2 4.16Å; F249-L264 HydrophobicContact CE2-CD1 3.97Å; F249-L264 HydrophobicContact CE2-CD2 4.15Å; F249-L264 HydrophobicContact CG-CD2 3.94Å; F249-L264 HydrophobicContact CZ-CD1 3.43Å; F249-L264 VanDerWaalsContact CZ-CD1 3.43Å; F249-L264 HydrophobicContact CZ-CD2 4.25Å; F249-L264 HydrophobicContact CZ-CG 4.46Å; F249-W531 HydrophobicContact CE2-CH2 4.26Å; F249-W531 AromaticContact CE2-CZ3 3.67Å; F249-W531 HydrophobicContact CE2-CZ3 3.67Å; F249-W531 HydrophobicContact CZ-CH2 4.1Å; F249-W531 AromaticContact CZ-CZ3 3.92Å; F249-W531 HydrophobicContact CZ-CZ3 3.92Å; F249-F537 HydrophobicContact CD2-CZ 4.49Å; F249-F537 HydrophobicContact CE2-CE2 4.21Å; F249-F537 AromaticContact CE2-CZ 3.74Å; F249-F537 HydrophobicContact CE2-CZ 3.74Å
250Y85.1Confident91.9Very high67 Ų6733.9 Ų33.926%0.26316%0.16SC..  trans-96.8136.7-177.9-175.4-99000110.9H124 E127 I252 R260H124-Y250 AromaticContact CE1-CD1 3.57Å; H124-Y250 AromaticContact ND1-CD1 4Å; E127-Y250 PolarHBondContact OE1-N 2.96Å; Y250-I252 PolarHBondContact O-N 2.98Å; Y250-R260 PolarHBondContact O-NH1 3.48Å; Y250-R260 PolarHBondContact O-NH2 2.87Å
251D85.8Confident91.8Very high71 Ų7134 Ų3438%0.3816%0.161SC..  trans45.954.3166.9-166.841.2000114.3R123 E253 R260R123-D251 IonicContact NH1-OD2 3.69Å; R123-D251 PolarHBondContact NH2-O 3.13Å; D251-E253 PolarHBondContact O-N 2.91Å; D251-E253 VanDerWaalsContact O-N 3.08Å; D251-R260 PolarHBondContact O-NH1 3.32Å
252I88.6Confident91.8Very high35 Ų3531.9 Ų31.918%0.17915%0.153CC..  trans-68.9107.5174.1-61.5175.8000108F249 Y250 D257 L261 L264 M525F249-I252 HydrophobicContact CB-CD1 3.75Å; F249-I252 HydrophobicContact CB-CG1 4.16Å; F249-I252 HydrophobicContact CG-CD1 4.44Å; Y250-I252 PolarHBondContact O-N 2.98Å; I252-D257 WeakPolarHBondContact CA-OD2 3.35Å; I252-L261 HydrophobicContact CG2-CD1 4.17Å; I252-L264 HydrophobicContact CD1-CD2 3.93Å; I252-M525 HydrophobicContact CG2-CE 4.19Å; I252-M525 HydrophobicContact CG2-SD 3.89Å
253E87Confident91.7Very high38 Ų3831.9 Ų31.918%0.17815%0.153CC..  trans-110.8103177.4-63.8-172.1-106.200109.1R123 R167 D251 K255 Y256 D257R123-E253 IonicContact CZ-OE1 3.82Å; R123-E253 IonicContact NH1-OE1 3.98Å; R123-E253 PolarHBondContact NH1-OE1 3.15Å; R123-E253 IonicContact NH2-OE1 2.87Å; R167-E253 IonicContact CZ-OE1 3.63Å; R167-E253 IonicContact CZ-OE2 3.49Å; R167-E253 IonicContact NE-OE1 3.53Å; R167-E253 IonicContact NH2-OE1 2.81Å; R167-E253 PolarHBondContact NH2-OE1 2.78Å; R167-E253 IonicContact NH2-OE2 3.53Å; R167-E253 PolarHBondContact NH2-OE2 2.79Å; D251-E253 PolarHBondContact O-N 2.91Å; D251-E253 VanDerWaalsContact O-N 3.08Å; E253-K255 PolarHBondContact O-N 2.89Å; E253-Y256 HydrophobicContact CB-CD2 4.02Å; E253-Y256 PolarHBondContact O-N 3.27Å; E253-Y256 WeakPolarHBondContact OE2-CE2 3.48Å; E253-D257 PolarHBondContact N-OD2 3.19Å; E253-D257 VanDerWaalsContact O-CB 3.3Å; E253-D257 WeakPolarHBondContact O-CB 3.4Å; E253-D257 PolarHBondContact O-N 3Å
254P86Confident91.7Very high44 Ų4429.3 Ų29.329%0.28614%0.143SC..THydrogen-bonded Turntrans-54.4-29-173.8-29.735.7000115.4Y256 V258 L261 T521 M525P254-Y256 VanDerWaalsContact C-N 3.33Å; P254-Y256 PolarHBondContact O-N 2.88Å; P254-V258 WeakPolarHBondContact O-CG2 3.28Å; P254-L261 HydrophobicContact CB-CD2 4.38Å; P254-T521 HydrophobicContact CB-CG2 3.34Å; P254-T521 HydrophobicContact CG-CG2 3.56Å; P254-M525 HydrophobicContact CG-CG 4.44Å; P254-M525 HydrophobicContact CG-SD 4.49Å
255K82.9Confident91.7Very high134 Ų13429.5 Ų29.558%0.58314%0.144SC*.THydrogen-bonded Turntrans-61.4-37176-177.2173.2-179.4169.90113.2E253E253-K255 PolarHBondContact O-N 2.89Å
256Y83.1Confident91.7Very high43 Ų4329.4 Ų29.417%0.16914%0.144CC..THydrogen-bonded Turntrans-107.6-19.1-176.2-56.1-69000112.8L170 E253 P254L170-Y256 HydrophobicContact CD1-CD1 4.35Å; E253-Y256 HydrophobicContact CB-CD2 4.02Å; E253-Y256 PolarHBondContact O-N 3.27Å; E253-Y256 WeakPolarHBondContact OE2-CE2 3.48Å; P254-Y256 VanDerWaalsContact C-N 3.33Å; P254-Y256 PolarHBondContact O-N 2.88Å
257D90.4Very high91.8Very high0 Ų029.6 Ų29.60%015%0.145CC..  trans-10527.3-172.2-73.7-35.5000113.5R123 I252 E253 V259 R260 L261R123-D257 WeakPolarHBondContact CB-OD1 3.28Å; R123-D257 WeakPolarHBondContact CG-OD1 3.39Å; R123-D257 IonicContact CZ-OD1 3.23Å; R123-D257 IonicContact CZ-OD2 2.8Å; R123-D257 IonicContact NE-OD1 2.84Å; R123-D257 PolarHBondContact NE-OD1 3.33Å; R123-D257 IonicContact NE-OD2 3.93Å; R123-D257 IonicContact NH2-OD1 2.74Å; R123-D257 IonicContact NH2-OD2 2.93Å; R123-D257 PolarHBondContact NH2-OD2 3.47Å; I252-D257 WeakPolarHBondContact CA-OD2 3.35Å; E253-D257 PolarHBondContact N-OD2 3.19Å; E253-D257 VanDerWaalsContact O-CB 3.3Å; E253-D257 WeakPolarHBondContact O-CB 3.4Å; E253-D257 PolarHBondContact O-N 3Å; D257-V259 VanDerWaalsContact C-N 3.3Å; D257-V259 PolarHBondContact O-N 3.42Å; D257-R260 HydrophobicContact CB-CB 4.04Å; D257-R260 PolarHBondContact O-N 3.36Å; D257-R260 VanDerWaalsContact O-N 3.16Å; D257-R260 IonicContact OD1-NH1 2.77Å; D257-R260 IonicContact OD2-NH1 2.87Å; D257-R260 PolarHBondContact OD2-NH1 3.33Å; D257-L261 WeakPolarHBondContact O-CB 3.26Å; D257-L261 PolarHBondContact O-N 2.82Å
258V91.8Very high91.9Very high49 Ų4927.5 Ų27.530%0.29714%0.136SC..Hα-helixtrans-52.7-48-176.6-173.80000111.9P254 T262P254-V258 WeakPolarHBondContact O-CG2 3.28Å; V258-T262 VanDerWaalsContact O-CB 3.31Å; V258-T262 WeakPolarHBondContact O-CB 3.43Å; V258-T262 PolarHBondContact O-N 2.77Å; V258-T262 VanDerWaalsContact O-N 3.09Å; V258-T262 PolarHBondContact O-OG1 2.9Å
259V94.5Very high92.2Very high0 Ų025.9 Ų25.90%013%0.125CC..Hα-helixtrans-68.8-48.7177.4179.70000111.2L120 N121 I122 Y188 L191 D257 L261 T262 Q263L120-V259 WeakPolarHBondContact O-CG1 3.47Å; N121-V259 HydrophobicContact CB-CG2 4.41Å; I122-V259 HydrophobicContact CD1-CG1 4.26Å; I122-V259 HydrophobicContact CG1-CB 4.44Å; I122-V259 HydrophobicContact CG1-CG1 3.8Å; Y188-V259 HydrophobicContact CD2-CG2 4.29Å; Y188-V259 HydrophobicContact CE2-CG2 3.7Å; L191-V259 HydrophobicContact CB-CG1 3.9Å; L191-V259 HydrophobicContact CB-CG2 4.05Å; D257-V259 VanDerWaalsContact C-N 3.3Å; D257-V259 PolarHBondContact O-N 3.42Å; V259-L261 PolarHBondContact O-N 2.96Å; V259-T262 PolarHBondContact O-N 3.49Å; V259-Q263 HydrophobicContact CG1-CG 4.09Å; V259-Q263 VanDerWaalsContact O-CG 3.31Å; V259-Q263 WeakPolarHBondContact O-CG 3.24Å; V259-Q263 PolarHBondContact O-N 2.85Å
260R95.1Very high92.3Very high1 Ų126 Ų260%0.00412%0.124CC..Hα-helixtrans-57.2-47.3179.8178.1-176.5173.7-143.22.3111.7I122 R123 H124 E127 F244 Y250 D251 D257 Q263 L264I122-R260 HydrophobicContact CG2-CB 4.08Å; I122-R260 HydrophobicContact CG2-CG 4.16Å; R123-R260 WeakPolarHBondContact O-CD 3.46Å; H124-R260 PolarHBondContact CD2-NH1 3.03Å; E127-R260 IonicContact OE1-CZ 3.8Å; E127-R260 IonicContact OE1-NH2 3.66Å; E127-R260 PolarHBondContact OE1-NH2 2.95Å; E127-R260 IonicContact OE2-CZ 3.17Å; E127-R260 IonicContact OE2-NE 2.79Å; E127-R260 PolarHBondContact OE2-NE 2.88Å; E127-R260 IonicContact OE2-NH2 2.67Å; E127-R260 PolarHBondContact OE2-NH2 3.05Å; F244-R260 HydrophobicContact CE1-CG 4.25Å; F244-R260 HydrophobicContact CZ-CG 4.17Å; Y250-R260 PolarHBondContact O-NH1 3.48Å; Y250-R260 PolarHBondContact O-NH2 2.87Å; D251-R260 PolarHBondContact O-NH1 3.32Å; D257-R260 HydrophobicContact CB-CB 4.04Å; D257-R260 PolarHBondContact O-N 3.36Å; D257-R260 VanDerWaalsContact O-N 3.16Å; D257-R260 IonicContact OD1-NH1 2.77Å; D257-R260 IonicContact OD2-NH1 2.87Å; D257-R260 PolarHBondContact OD2-NH1 3.33Å; R260-Q263 PolarHBondContact O-N 2.93Å; R260-L264 WeakPolarHBondContact O-CB 3.36Å; R260-L264 PolarHBondContact O-N 3.35Å
261L95.8Very high92.8Very high5 Ų523.1 Ų23.13%0.02611%0.114CC..Hα-helixtrans-61.6-46.2178.3-179.863.6000111.2I252 P254 D257 V259 L264 Y265 T521 L524 M525 L528I252-L261 HydrophobicContact CG2-CD1 4.17Å; P254-L261 HydrophobicContact CB-CD2 4.38Å; D257-L261 WeakPolarHBondContact O-CB 3.26Å; D257-L261 PolarHBondContact O-N 2.82Å; V259-L261 PolarHBondContact O-N 2.96Å; L261-L264 PolarHBondContact O-N 3.24Å; L261-Y265 WeakPolarHBondContact O-CB 3.31Å; L261-Y265 PolarHBondContact O-N 2.89Å; L261-T521 HydrophobicContact CD2-CG2 4.49Å; L261-L524 HydrophobicContact CD2-CB 4.28Å; L261-L524 HydrophobicContact CD2-CD1 4.22Å; L261-L524 HydrophobicContact CG-CB 4.35Å; L261-L524 HydrophobicContact CG-CD1 4.42Å; L261-M525 HydrophobicContact CD1-CG 4.46Å; L261-M525 HydrophobicContact CD1-SD 3.57Å; L261-M525 VanDerWaalsContact CD1-SD 3.57Å; L261-M525 HydrophobicContact CD2-SD 4.42Å; L261-L528 HydrophobicContact CD1-CD1 3.47Å; L261-L528 VanDerWaalsContact CD1-CD1 3.47Å
262T96.3Very high93.3Very high4 Ų419.8 Ų19.83%0.02510%0.096CC..Hα-helixtrans-62.4-50.6178.1-60.20000111.1S192 T194 V258 V259 L264 Y265 E266S192-T262 PolarHBondContact O-OG1 3.4Å; S192-T262 VanDerWaalsContact O-OG1 3.06Å; T194-T262 HydrophobicContact CG2-CG2 4.23Å; V258-T262 VanDerWaalsContact O-CB 3.31Å; V258-T262 WeakPolarHBondContact O-CB 3.43Å; V258-T262 PolarHBondContact O-N 2.77Å; V258-T262 VanDerWaalsContact O-N 3.09Å; V258-T262 PolarHBondContact O-OG1 2.9Å; V259-T262 PolarHBondContact O-N 3.49Å; T262-L264 VanDerWaalsContact C-N 3.29Å; T262-L264 PolarHBondContact O-N 2.89Å; T262-Y265 WeakPolarHBondContact O-CB 3.48Å; T262-Y265 PolarHBondContact O-N 2.88Å; T262-E266 WeakPolarHBondContact O-CG 3.43Å; T262-E266 PolarHBondContact O-N 3.26Å
263Q97.4Very high93.5Very high2 Ų218.1 Ų18.11%0.0099%0.087CC..Hα-helixtrans-64.7-33.9179.4-63.1-52-46.800112.3P94 L191 F244 V259 R260 E266 Q267P94-Q263 HydrophobicContact CB-CB 4.5Å; P94-Q263 VanDerWaalsContact CB-O 3.28Å; P94-Q263 WeakPolarHBondContact CB-O 3.41Å; P94-Q263 HydrophobicContact CG-CB 4.22Å; L191-Q263 PolarHBondContact O-NE2 2.89Å; F244-Q263 HydrophobicContact CE2-CB 4.13Å; V259-Q263 HydrophobicContact CG1-CG 4.09Å; V259-Q263 VanDerWaalsContact O-CG 3.31Å; V259-Q263 WeakPolarHBondContact O-CG 3.24Å; V259-Q263 PolarHBondContact O-N 2.85Å; R260-Q263 PolarHBondContact O-N 2.93Å; Q263-E266 PolarHBondContact O-N 3.2Å; Q263-Q267 PolarHBondContact O-N 3.39Å
264L97.8Very high93.8Very high0 Ų017.1 Ų17.10%08%0.083CC..Hα-helixtrans-67.7-44175.2-177.656.5000111.6F244 F249 I252 R260 L261 T262 Q267 A268 L528 W531F244-L264 HydrophobicContact CB-CD1 4.48Å; F244-L264 HydrophobicContact CD1-CD1 4.07Å; F244-L264 HydrophobicContact CD2-CB 4.48Å; F244-L264 HydrophobicContact CD2-CD1 3.93Å; F244-L264 HydrophobicContact CE1-CB 4.35Å; F244-L264 HydrophobicContact CE1-CD1 4.26Å; F244-L264 HydrophobicContact CE2-CB 3.85Å; F244-L264 HydrophobicContact CE2-CD1 4.14Å; F244-L264 HydrophobicContact CG-CD1 3.9Å; F244-L264 HydrophobicContact CZ-CB 3.77Å; F244-L264 HydrophobicContact CZ-CD1 4.29Å; F249-L264 HydrophobicContact CD1-CD1 4.26Å; F249-L264 HydrophobicContact CD1-CD2 3.99Å; F249-L264 HydrophobicContact CD2-CD2 4.02Å; F249-L264 HydrophobicContact CE1-CD1 3.59Å; F249-L264 HydrophobicContact CE1-CD2 4.16Å; F249-L264 HydrophobicContact CE2-CD1 3.97Å; F249-L264 HydrophobicContact CE2-CD2 4.15Å; F249-L264 HydrophobicContact CG-CD2 3.94Å; F249-L264 HydrophobicContact CZ-CD1 3.43Å; F249-L264 VanDerWaalsContact CZ-CD1 3.43Å; F249-L264 HydrophobicContact CZ-CD2 4.25Å; F249-L264 HydrophobicContact CZ-CG 4.46Å; I252-L264 HydrophobicContact CD1-CD2 3.93Å; R260-L264 WeakPolarHBondContact O-CB 3.36Å; R260-L264 PolarHBondContact O-N 3.35Å; L261-L264 PolarHBondContact O-N 3.24Å; T262-L264 VanDerWaalsContact C-N 3.29Å; T262-L264 PolarHBondContact O-N 2.89Å; L264-Q267 PolarHBondContact O-N 3.29Å; L264-A268 WeakPolarHBondContact O-CB 3.49Å; L264-A268 PolarHBondContact O-N 2.91Å; L264-L528 HydrophobicContact CB-CD1 4.44Å; L264-L528 HydrophobicContact CD2-CD1 3.87Å; L264-L528 HydrophobicContact CD2-CD2 4.41Å; L264-L528 HydrophobicContact CG-CD1 4Å; L264-L528 HydrophobicContact CG-CD2 3.87Å; L264-W531 HydrophobicContact CD1-CH2 4.26Å; L264-W531 HydrophobicContact CD1-CZ3 3.92Å
265Y97.8Very high94.1Very high5 Ų516.5 Ų16.52%0.028%0.077CC..Hα-helixtrans-58.7-46.1172.3163.8-101.6000111.5T194 L261 T262 Q267 A268 R269 I294 L524 F527T194-Y265 HydrophobicContact CG2-CD1 3.73Å; T194-Y265 HydrophobicContact CG2-CE1 3.71Å; L261-Y265 WeakPolarHBondContact O-CB 3.31Å; L261-Y265 PolarHBondContact O-N 2.89Å; T262-Y265 WeakPolarHBondContact O-CB 3.48Å; T262-Y265 PolarHBondContact O-N 2.88Å; Y265-Q267 VanDerWaalsContact C-N 3.33Å; Y265-Q267 PolarHBondContact O-N 3.01Å; Y265-A268 PolarHBondContact O-N 2.9Å; Y265-R269 VanDerWaalsContact O-CB 3.26Å; Y265-R269 WeakPolarHBondContact O-CB 3.35Å; Y265-R269 PolarHBondContact O-N 3.05Å; Y265-I294 HydrophobicContact CD2-CD1 4.26Å; Y265-I294 HydrophobicContact CE1-CG2 4.3Å; Y265-I294 HydrophobicContact CE2-CD1 3.49Å; Y265-I294 VanDerWaalsContact CE2-CD1 3.49Å; Y265-L524 HydrophobicContact CD1-CD2 3.55Å; Y265-L524 HydrophobicContact CD2-CD2 3.58Å; Y265-L524 HydrophobicContact CE1-CD2 4.01Å; Y265-L524 HydrophobicContact CE2-CD2 4.05Å; Y265-L524 HydrophobicContact CG-CD2 3.28Å; Y265-F527 HydrophobicContact CD2-CB 4.16Å; Y265-F527 AromaticContact CD2-CD1 3.75Å; Y265-F527 HydrophobicContact CD2-CD1 3.75Å; Y265-F527 HydrophobicContact CD2-CD2 4.34Å; Y265-F527 HydrophobicContact CD2-CE1 4.25Å; Y265-F527 AromaticContact CD2-CG 3.82Å; Y265-F527 HydrophobicContact CD2-CG 3.82Å; Y265-F527 HydrophobicContact CE2-CB 4.22Å; Y265-F527 AromaticContact CE2-CD1 3.94Å; Y265-F527 HydrophobicContact CE2-CD1 3.94Å; Y265-F527 AromaticContact CE2-CD2 3.73Å; Y265-F527 HydrophobicContact CE2-CD2 3.73Å; Y265-F527 HydrophobicContact CE2-CE1 4.26Å; Y265-F527 HydrophobicContact CE2-CE2 4.05Å; Y265-F527 AromaticContact CE2-CG 3.69Å; Y265-F527 HydrophobicContact CE2-CG 3.69Å; Y265-F527 HydrophobicContact CE2-CZ 4.32Å
266E97.4Very high94.3Very high0 Ų012.4 Ų12.40%06%0.061CC..Hα-helixtrans-60.9-42.2177.8-69.5-61.7161.300111.8P94 T194 Q195 T262 Q263 A268 R269 W270P94-E266 HydrophobicContact CB-CB 4.35Å; T194-E266 WeakPolarHBondContact CA-OE1 3.34Å; Q195-E266 PolarHBondContact N-OE1 3.49Å; T262-E266 WeakPolarHBondContact O-CG 3.43Å; T262-E266 PolarHBondContact O-N 3.26Å; Q263-E266 PolarHBondContact O-N 3.2Å; E266-A268 PolarHBondContact O-N 2.92Å; E266-R269 PolarHBondContact O-N 2.9Å; E266-R269 IonicContact OE2-CZ 3.2Å; E266-R269 IonicContact OE2-NE 2.69Å; E266-R269 PolarHBondContact OE2-NE 3.03Å; E266-R269 IonicContact OE2-NH2 2.64Å; E266-R269 PolarHBondContact OE2-NH2 3.36Å; E266-W270 PolarHBondContact O-N 2.9Å
267Q97.1Very high94.7Very high6 Ų611 Ų113%0.0286%0.057CC..Hα-helixtrans-61.3-45.3174.5-171.4163.5-58.900111.8P94 F244 Y247 Q263 L264 Y265 A271P94-Q267 HydrophobicContact CB-CB 3.96Å; F244-Q267 PolarHBondContact O-NE2 3.38Å; Y247-Q267 PolarHBondContact OH-NE2 2.8Å; Q263-Q267 PolarHBondContact O-N 3.39Å; L264-Q267 PolarHBondContact O-N 3.29Å; Y265-Q267 VanDerWaalsContact C-N 3.33Å; Y265-Q267 PolarHBondContact O-N 3.01Å; Q267-A271 WeakPolarHBondContact O-CB 3.41Å; Q267-A271 PolarHBondContact O-N 3.29Å
268A97.4Very high94.5Very high0 Ų014.1 Ų14.10%07%0.073CC..Hα-helixtrans-64.4-43.1178.900000111.5L264 Y265 E266 A271 I272 F527 L528 W531L264-A268 WeakPolarHBondContact O-CB 3.49Å; L264-A268 PolarHBondContact O-N 2.91Å; Y265-A268 PolarHBondContact O-N 2.9Å; E266-A268 PolarHBondContact O-N 2.92Å; A268-A271 WeakPolarHBondContact O-CB 3.45Å; A268-A271 PolarHBondContact O-N 3.36Å; A268-I272 WeakPolarHBondContact O-CG1 3.48Å; A268-I272 PolarHBondContact O-N 2.83Å; A268-F527 HydrophobicContact CB-CD1 4.31Å; A268-F527 HydrophobicContact CB-CE1 3.86Å; A268-L528 HydrophobicContact CB-CD2 3.77Å; A268-W531 HydrophobicContact CB-CB 4.47Å; A268-W531 HydrophobicContact CB-CD2 3.48Å; A268-W531 VanDerWaalsContact CB-CD2 3.48Å; A268-W531 HydrophobicContact CB-CE3 3.67Å; A268-W531 HydrophobicContact CB-CG 3.85Å; A268-W531 HydrophobicContact CB-CH2 4.27Å; A268-W531 HydrophobicContact CB-CZ2 4.11Å; A268-W531 HydrophobicContact CB-CZ3 4.04Å
269R96.6Very high94.5Very high5 Ų512.4 Ų12.42%0.0196%0.063CC..Hα-helixtrans-58.6-49.7177.6-172.4178.769.181.2-4.9111.2P198 Y265 E266 A271 I272 L273 Q291 F527P198-R269 VanDerWaalsContact CG-NH1 3.35Å; Y265-R269 VanDerWaalsContact O-CB 3.26Å; Y265-R269 WeakPolarHBondContact O-CB 3.35Å; Y265-R269 PolarHBondContact O-N 3.05Å; E266-R269 PolarHBondContact O-N 2.9Å; E266-R269 IonicContact OE2-CZ 3.2Å; E266-R269 IonicContact OE2-NE 2.69Å; E266-R269 PolarHBondContact OE2-NE 3.03Å; E266-R269 IonicContact OE2-NH2 2.64Å; E266-R269 PolarHBondContact OE2-NH2 3.36Å; R269-A271 VanDerWaalsContact C-N 3.34Å; R269-A271 PolarHBondContact O-N 2.91Å; R269-I272 PolarHBondContact O-N 3.37Å; R269-L273 HydrophobicContact CG-CD1 4.07Å; R269-L273 WeakPolarHBondContact O-CG 3.37Å; R269-L273 PolarHBondContact O-N 2.98Å; R269-Q291 HydrophobicContact CG-CG 4.21Å; R269-Q291 VanDerWaalsContact CG-OE1 3.3Å; R269-F527 HydrophobicContact CB-CZ 4.31Å
270W95.3Very high94.4Very high37 Ų3716 Ų1614%0.149%0.085CC..Hα-helixtrans-63.1-39.3175.2-77.6115.1000112.4P94 P198 V202 I203 Q206 E266 I272 L273 L274P94-W270 VanDerWaalsContact O-CD1 3.27Å; P198-W270 HydrophobicContact CB-CH2 3.73Å; P198-W270 HydrophobicContact CB-CZ2 4.27Å; P198-W270 HydrophobicContact CG-CH2 3.61Å; P198-W270 HydrophobicContact CG-CZ2 4.06Å; P198-W270 HydrophobicContact CG-CZ3 4.1Å; V202-W270 HydrophobicContact CG1-CH2 4.38Å; I203-W270 HydrophobicContact CG1-CZ3 4.39Å; Q206-W270 HydrophobicContact CG-CZ3 4.33Å; E266-W270 PolarHBondContact O-N 2.9Å; W270-I272 VanDerWaalsContact C-N 3.28Å; W270-I272 PolarHBondContact O-N 3.38Å; W270-L273 PolarHBondContact O-N 3.42Å; W270-L274 HydrophobicContact CE3-CD1 4.03Å; W270-L274 HydrophobicContact CE3-CD2 4.27Å; W270-L274 HydrophobicContact CE3-CG 4.01Å; W270-L274 HydrophobicContact CZ3-CD2 4.42Å; W270-L274 VanDerWaalsContact O-CB 3.26Å; W270-L274 WeakPolarHBondContact O-CB 3.5Å; W270-L274 VanDerWaalsContact O-CG 3.29Å; W270-L274 WeakPolarHBondContact O-CG 3.34Å; W270-L274 PolarHBondContact O-N 3.45Å
271A94.8Very high94.2Very high6 Ų618.6 Ų18.65%0.0510%0.098CC..Hα-helixtrans-60.9-36.6177.300000112.7Q267 A268 R269 E275 D276 I277Q267-A271 WeakPolarHBondContact O-CB 3.41Å; Q267-A271 PolarHBondContact O-N 3.29Å; A268-A271 WeakPolarHBondContact O-CB 3.45Å; A268-A271 PolarHBondContact O-N 3.36Å; R269-A271 VanDerWaalsContact C-N 3.34Å; R269-A271 PolarHBondContact O-N 2.91Å; A271-E275 PolarHBondContact O-N 3.02Å; A271-D276 HydrophobicContact CB-CB 4.16Å; A271-D276 PolarHBondContact O-N 2.94Å; A271-I277 PolarHBondContact O-N 2.99Å
272I95.8Very high93.9Very high1 Ų124.4 Ų24.41%0.00513%0.125CC..Hα-helixtrans-73.9-47175-63.6-58.6000111.6A268 R269 W270 L274 E275 M284 F287 F527 L534A268-I272 WeakPolarHBondContact O-CG1 3.48Å; A268-I272 PolarHBondContact O-N 2.83Å; R269-I272 PolarHBondContact O-N 3.37Å; W270-I272 VanDerWaalsContact C-N 3.28Å; W270-I272 PolarHBondContact O-N 3.38Å; I272-L274 VanDerWaalsContact C-N 3.32Å; I272-L274 PolarHBondContact O-N 3.13Å; I272-E275 PolarHBondContact O-N 2.94Å; I272-M284 HydrophobicContact CG2-CE 3.69Å; I272-M284 HydrophobicContact CG2-SD 3.92Å; I272-F287 HydrophobicContact CD1-CD2 4.23Å; I272-F287 HydrophobicContact CD1-CE2 3.69Å; I272-F287 HydrophobicContact CD1-CZ 3.96Å; I272-F287 HydrophobicContact CG1-CD2 4.26Å; I272-F287 HydrophobicContact CG1-CE1 4.47Å; I272-F287 HydrophobicContact CG1-CE2 4.08Å; I272-F287 HydrophobicContact CG1-CZ 4.17Å; I272-F287 HydrophobicContact CG2-CB 4.4Å; I272-F287 HydrophobicContact CG2-CD2 3.93Å; I272-F287 HydrophobicContact CG2-CE2 4.46Å; I272-F287 HydrophobicContact CG2-CG 4.26Å; I272-F527 HydrophobicContact CG1-CZ 4.43Å; I272-L534 HydrophobicContact CD1-CD1 3.58Å
273L94.3Very high93.8Very high0 Ų026.6 Ų26.60%013%0.134CC..Hα-helixtrans-66.2-33.8-177.7-69.3176.7000112.7P198 I203 R269 W270 S492 P493P198-L273 HydrophobicContact CG-CD1 3.97Å; I203-L273 HydrophobicContact CD1-CD1 4.33Å; R269-L273 HydrophobicContact CG-CD1 4.07Å; R269-L273 WeakPolarHBondContact O-CG 3.37Å; R269-L273 PolarHBondContact O-N 2.98Å; W270-L273 PolarHBondContact O-N 3.42Å; L273-S492 WeakPolarHBondContact O-CB 3.14Å; L273-P493 VanDerWaalsContact O-CD 3.22Å; L273-P493 WeakPolarHBondContact O-CD 3.44Å
274L92.6Very high93.7Very high18 Ų1826.6 Ų26.69%0.09413%0.134CC..THydrogen-bonded Turntrans-90.8-0.8-179.6-59.5-179.4000113.7I203 Q206 R208 W270 I272 D276I203-L274 HydrophobicContact CG2-CD2 4.25Å; Q206-L274 HydrophobicContact CB-CD1 4.27Å; Q206-L274 HydrophobicContact CB-CD2 3.53Å; Q206-L274 HydrophobicContact CG-CD2 4.21Å; R208-L274 HydrophobicContact CG-CB 4.21Å; R208-L274 HydrophobicContact CG-CD2 4.02Å; R208-L274 WeakPolarHBondContact CG-O 3.31Å; W270-L274 HydrophobicContact CE3-CD1 4.03Å; W270-L274 HydrophobicContact CE3-CD2 4.27Å; W270-L274 HydrophobicContact CE3-CG 4.01Å; W270-L274 HydrophobicContact CZ3-CD2 4.42Å; W270-L274 VanDerWaalsContact O-CB 3.26Å; W270-L274 WeakPolarHBondContact O-CB 3.5Å; W270-L274 VanDerWaalsContact O-CG 3.29Å; W270-L274 WeakPolarHBondContact O-CG 3.34Å; W270-L274 PolarHBondContact O-N 3.45Å; I272-L274 VanDerWaalsContact C-N 3.32Å; I272-L274 PolarHBondContact O-N 3.13Å; L274-D276 PolarHBondContact O-N 3.31Å
275E91.1Very high93.5Very high30 Ų3027.1 Ų27.114%0.1414%0.137CC..THydrogen-bonded Turntrans62.928.7179.7-55.3163.7-173.300112.1R208 A271 I272 I277 S492 R494R208-E275 IonicContact NH1-OE1 3.62Å; R208-E275 IonicContact NH1-OE2 3.47Å; R208-E275 PolarHBondContact NH1-OE2 3.49Å; A271-E275 PolarHBondContact O-N 3.02Å; I272-E275 PolarHBondContact O-N 2.94Å; E275-I277 VanDerWaalsContact C-N 3.27Å; E275-S492 WeakPolarHBondContact OE1-CB 3.23Å; E275-S492 PolarHBondContact OE1-OG 3.44Å; E275-R494 WeakPolarHBondContact OE1-CB 3.48Å; E275-R494 PolarHBondContact OE1-N 3.02Å; E275-R494 VanDerWaalsContact OE1-N 3.11Å
276D89.1Confident93.3Very high48 Ų4829 Ų2926%0.25715%0.147SC..SBendtrans-64.4-40169.1-70.2-22.9000109.6P209 K215 A271 L274P209-D276 VanDerWaalsContact CD-OD1 3.28Å; P209-D276 WeakPolarHBondContact CD-OD1 3.4Å; P209-D276 WeakPolarHBondContact CG-OD1 3.32Å; K215-D276 VanDerWaalsContact CE-O 3.29Å; K215-D276 WeakPolarHBondContact CE-O 3.5Å; K215-D276 PolarHBondContact NZ-O 2.95Å; A271-D276 HydrophobicContact CB-CB 4.16Å; A271-D276 PolarHBondContact O-N 2.94Å; L274-D276 PolarHBondContact O-N 3.31Å
277I89.8Confident93.3Very high15 Ų1529 Ų298%0.07715%0.147CC..SBendtrans-119125.1171.8-59.6-178.4000108.6A271 E275 W531 L534 D536A271-I277 PolarHBondContact O-N 2.99Å; E275-I277 VanDerWaalsContact C-N 3.27Å; I277-W531 HydrophobicContact CD1-CZ2 4.31Å; I277-L534 HydrophobicContact CG2-CB 4.07Å; I277-L534 HydrophobicContact CG2-CD1 3.65Å; I277-D536 HydrophobicContact CG2-CB 4.42Å
278D87.6Confident93.2Very high65 Ų6528.7 Ų28.735%0.34815%0.146SC..  trans-78.2141.4-179.5-72.5-73.1000111.3K215 R494K215-D278 IonicContact NZ-OD2 2.64Å; K215-D278 PolarHBondContact NZ-OD2 3.48Å; D278-R494 IonicContact OD1-NH1 3.28Å
279C91Very high93.1Very high13 Ų1328.7 Ų28.79%0.08815%0.146CC..  trans-135.9160.2172.167.20000111.2E283 F287 R494 L534C279-E283 HydrophobicContact CB-CB 3.98Å; C279-F287 HydrophobicContact CB-CE2 4.15Å; C279-R494 PolarHBondContact O-NH2 3.32Å; C279-L534 HydrophobicContact CB-CD1 4.18Å; C279-L534 HydrophobicContact CB-CD2 3.76Å
280T92Very high93.1Very high76 Ų7628.5 Ų28.547%0.46615%0.145SC..  trans-68.9169.3175.764.40000111.5E283 M284 Y495T280-E283 WeakPolarHBondContact CB-OE2 3.47Å; T280-E283 WeakPolarHBondContact CG2-OE2 3.41Å; T280-E283 PolarHBondContact N-OE2 3.37Å; T280-E283 WeakPolarHBondContact OG1-CB 3.2Å; T280-E283 WeakPolarHBondContact OG1-CG 3.18Å; T280-E283 PolarHBondContact OG1-N 3.18Å; T280-E283 PolarHBondContact OG1-OE2 2.87Å; T280-M284 WeakPolarHBondContact O-CB 3.12Å; T280-M284 PolarHBondContact O-N 2.97Å; T280-Y495 PolarHBondContact O-OH 3Å
281E90.6Very high93.1Very high55 Ų5526.9 Ų26.926%0.25714%0.139SC..Hα-helixtrans-63.9-42.8177.1-175.8167.5156.700112.1M284 M285 Y495 K498 Y499E281-M284 PolarHBondContact O-N 3.32Å; E281-M285 HydrophobicContact CG-CE 4.33Å; E281-M285 WeakPolarHBondContact O-CG 3.23Å; E281-M285 PolarHBondContact O-N 2.66Å; E281-Y495 VanDerWaalsContact CA-OH 3.28Å; E281-Y495 WeakPolarHBondContact CA-OH 3.13Å; E281-Y495 HydrophobicContact CB-CE1 4.02Å; E281-Y495 HydrophobicContact CG-CE1 3.85Å; E281-Y495 PolarHBondContact N-OH 2.7Å; E281-K498 IonicContact OE2-NZ 2.69Å; E281-K498 PolarHBondContact OE2-NZ 3.31Å; E281-Y499 WeakPolarHBondContact OE1-CE2 3.41Å; E281-Y499 PolarHBondContact OE1-OH 3.48Å; E281-Y499 PolarHBondContact OE2-OH 3.41Å; E281-Y499 VanDerWaalsContact OE2-OH 3.06Å
282E90.5Very high93.1Very high127 Ų12729.5 Ų29.559%0.59315%0.148SC*.Hα-helixtrans-63.8-45.1178.5-64.3-179.6-179.600111.5M284 M285 L286 L358E282-M284 VanDerWaalsContact C-N 3.34Å; E282-M284 PolarHBondContact O-N 3.15Å; E282-M285 PolarHBondContact O-N 3.45Å; E282-L286 PolarHBondContact O-N 2.98Å; E282-L358 HydrophobicContact CB-CD1 4.45Å; E282-L358 WeakPolarHBondContact OE2-CD1 3.45Å
283E93.3Very high93Very high49 Ų4929.7 Ų29.723%0.22915%0.149CC..Hα-helixtrans-62.1-40.9175.7-71.5161.6157.500111.6C279 T280 M285 L286 F287C279-E283 HydrophobicContact CB-CB 3.98Å; T280-E283 WeakPolarHBondContact CB-OE2 3.47Å; T280-E283 WeakPolarHBondContact CG2-OE2 3.41Å; T280-E283 PolarHBondContact N-OE2 3.37Å; T280-E283 WeakPolarHBondContact OG1-CB 3.2Å; T280-E283 WeakPolarHBondContact OG1-CG 3.18Å; T280-E283 PolarHBondContact OG1-N 3.18Å; T280-E283 PolarHBondContact OG1-OE2 2.87Å; E283-M285 PolarHBondContact O-N 3.29Å; E283-L286 PolarHBondContact O-N 3.48Å; E283-F287 HydrophobicContact CB-CD2 4.5Å; E283-F287 HydrophobicContact CB-CE2 4.32Å; E283-F287 WeakPolarHBondContact O-CD2 3.4Å; E283-F287 WeakPolarHBondContact O-CG 3.31Å; E283-F287 PolarHBondContact O-N 3.37Å
284M95.3Very high92.9Very high2 Ų229.8 Ų29.81%0.0115%0.149CC..Hα-helixtrans-62.9-41.6176-179.162.477.300112.2I272 T280 E281 E282 L286 F287 G288 V491 Y495I272-M284 HydrophobicContact CG2-CE 3.69Å; I272-M284 HydrophobicContact CG2-SD 3.92Å; T280-M284 WeakPolarHBondContact O-CB 3.12Å; T280-M284 PolarHBondContact O-N 2.97Å; E281-M284 PolarHBondContact O-N 3.32Å; E282-M284 VanDerWaalsContact C-N 3.34Å; E282-M284 PolarHBondContact O-N 3.15Å; M284-L286 VanDerWaalsContact C-N 3.28Å; M284-L286 PolarHBondContact O-N 3.29Å; M284-F287 PolarHBondContact O-N 3.32Å; M284-G288 PolarHBondContact O-N 3.03Å; M284-V491 HydrophobicContact CG-CB 3.96Å; M284-V491 HydrophobicContact CG-CG1 3.96Å; M284-V491 HydrophobicContact SD-CB 3.9Å; M284-V491 HydrophobicContact SD-CG1 4.18Å; M284-Y495 HydrophobicContact CB-CD2 4.33Å; M284-Y495 HydrophobicContact CB-CE2 3.73Å; M284-Y495 HydrophobicContact CE-CD2 3.96Å; M284-Y495 HydrophobicContact CE-CE2 3.69Å; M284-Y495 HydrophobicContact CG-CD2 3.62Å; M284-Y495 HydrophobicContact CG-CE2 3.5Å; M284-Y495 VanDerWaalsContact CG-CE2 3.5Å; M284-Y495 HydrophobicContact CG-CG 4.28Å; M284-Y495 HydrophobicContact SD-CD2 4.45Å; M284-Y495 HydrophobicContact SD-CE2 4.42Å
285M94.3Very high92.9Very high12 Ų1230.6 Ų30.66%0.05915%0.154CC..Hα-helixtrans-63-39.3176.4-62.5-50.5108.600111E281 E282 E283 G288 A289 V491 Y495 L504 R507 I508 A511E281-M285 HydrophobicContact CG-CE 4.33Å; E281-M285 WeakPolarHBondContact O-CG 3.23Å; E281-M285 PolarHBondContact O-N 2.66Å; E282-M285 PolarHBondContact O-N 3.45Å; E283-M285 PolarHBondContact O-N 3.29Å; M285-G288 PolarHBondContact O-N 3.28Å; M285-A289 WeakPolarHBondContact O-CB 3.48Å; M285-A289 PolarHBondContact O-N 2.86Å; M285-V491 HydrophobicContact CE-CG1 4.5Å; M285-Y495 HydrophobicContact CE-CD1 4.22Å; M285-L504 HydrophobicContact CE-CD1 3.81Å; M285-L504 HydrophobicContact SD-CD1 3.61Å; M285-R507 HydrophobicContact CG-CB 4.13Å; M285-R507 HydrophobicContact SD-CB 3.89Å; M285-I508 HydrophobicContact SD-CG1 4.12Å; M285-A511 HydrophobicContact CB-CB 4.43Å
286L94.3Very high92.8Very high44 Ų4433.8 Ų33.823%0.2317%0.167CC..Hα-helixtrans-66.3-41.9175.6-176.357.9000112.3E282 E283 M284 G288 A289 L290 V515 I530E282-L286 PolarHBondContact O-N 2.98Å; E283-L286 PolarHBondContact O-N 3.48Å; M284-L286 VanDerWaalsContact C-N 3.28Å; M284-L286 PolarHBondContact O-N 3.29Å; L286-G288 VanDerWaalsContact C-N 3.33Å; L286-G288 PolarHBondContact O-N 2.96Å; L286-A289 PolarHBondContact O-N 2.92Å; L286-L290 HydrophobicContact CG-CD1 4.3Å; L286-L290 WeakPolarHBondContact O-CB 3.13Å; L286-L290 WeakPolarHBondContact O-CG 3.23Å; L286-L290 PolarHBondContact O-N 2.8Å; L286-V515 HydrophobicContact CD1-CG1 3.96Å; L286-I530 HydrophobicContact CD2-CD1 3.51Å; L286-I530 HydrophobicContact CD2-CG1 4.43Å; L286-I530 HydrophobicContact CG-CD1 3.94Å
287F97.1Very high92.8Very high0 Ų032.2 Ų32.20%016%0.159CC..Hα-helixtrans-62.1-40172.6-75.5-54000112.2I272 C279 E283 M284 L290 Q291 F527 I530 W531 L534I272-F287 HydrophobicContact CD1-CD2 4.23Å; I272-F287 HydrophobicContact CD1-CE2 3.69Å; I272-F287 HydrophobicContact CD1-CZ 3.96Å; I272-F287 HydrophobicContact CG1-CD2 4.26Å; I272-F287 HydrophobicContact CG1-CE1 4.47Å; I272-F287 HydrophobicContact CG1-CE2 4.08Å; I272-F287 HydrophobicContact CG1-CZ 4.17Å; I272-F287 HydrophobicContact CG2-CB 4.4Å; I272-F287 HydrophobicContact CG2-CD2 3.93Å; I272-F287 HydrophobicContact CG2-CE2 4.46Å; I272-F287 HydrophobicContact CG2-CG 4.26Å; C279-F287 HydrophobicContact CB-CE2 4.15Å; E283-F287 HydrophobicContact CB-CD2 4.5Å; E283-F287 HydrophobicContact CB-CE2 4.32Å; E283-F287 WeakPolarHBondContact O-CD2 3.4Å; E283-F287 WeakPolarHBondContact O-CG 3.31Å; E283-F287 PolarHBondContact O-N 3.37Å; M284-F287 PolarHBondContact O-N 3.32Å; F287-L290 PolarHBondContact O-N 2.96Å; F287-Q291 WeakPolarHBondContact O-CB 3.28Å; F287-Q291 WeakPolarHBondContact O-CG 3.44Å; F287-Q291 PolarHBondContact O-N 2.78Å; F287-Q291 PolarHBondContact O-NE2 3.35Å; F287-Q291 VanDerWaalsContact O-NE2 3.08Å; F287-F527 HydrophobicContact CB-CE2 3.99Å; F287-F527 HydrophobicContact CB-CZ 4.48Å; F287-F527 HydrophobicContact CD1-CD1 4.29Å; F287-F527 AromaticContact CD1-CD2 3.65Å; F287-F527 HydrophobicContact CD1-CD2 3.65Å; F287-F527 AromaticContact CD1-CE1 4Å; F287-F527 HydrophobicContact CD1-CE1 4Å; F287-F527 AromaticContact CD1-CE2 3.32Å; F287-F527 HydrophobicContact CD1-CE2 3.32Å; F287-F527 HydrophobicContact CD1-CG 4.12Å; F287-F527 AromaticContact CD1-CZ 3.49Å; F287-F527 HydrophobicContact CD1-CZ 3.49Å; F287-F527 VanDerWaalsContact CD1-CZ 3.49Å; F287-F527 HydrophobicContact CE1-CD1 4.19Å; F287-F527 HydrophobicContact CE1-CD2 4.3Å; F287-F527 AromaticContact CE1-CE1 4Å; F287-F527 HydrophobicContact CE1-CE1 4Å; F287-F527 HydrophobicContact CE1-CE2 4.13Å; F287-F527 HydrophobicContact CE1-CG 4.32Å; F287-F527 AromaticContact CE1-CZ 3.96Å; F287-F527 HydrophobicContact CE1-CZ 3.96Å; F287-F527 HydrophobicContact CG-CE2 4.05Å; F287-F527 HydrophobicContact CG-CZ 4.23Å; F287-I530 HydrophobicContact CE1-CB 4Å; F287-I530 HydrophobicContact CE1-CG2 3.8Å; F287-I530 HydrophobicContact CE2-CG2 4.15Å; F287-I530 HydrophobicContact CZ-CB 4.15Å; F287-I530 HydrophobicContact CZ-CG2 3.54Å; F287-W531 HydrophobicContact CE1-CB 4.28Å; F287-W531 HydrophobicContact CZ-CB 4.26Å; F287-L534 HydrophobicContact CE2-CD1 4.13Å; F287-L534 HydrophobicContact CZ-CD1 4.11Å
288G95.3Very high92.6Very high0 Ų032.4 Ų32.40%016%0.163CC..Hα-helixtrans-64.3-41.117500000112.2M284 M285 L286 Q291 Y292 L490M284-G288 PolarHBondContact O-N 3.03Å; M285-G288 PolarHBondContact O-N 3.28Å; L286-G288 VanDerWaalsContact C-N 3.33Å; L286-G288 PolarHBondContact O-N 2.96Å; G288-Q291 PolarHBondContact O-N 2.82Å; G288-Y292 WeakPolarHBondContact O-CB 3.46Å; G288-Y292 PolarHBondContact O-N 3.06Å; G288-L490 WeakPolarHBondContact CA-O 2.86Å
289A94.9Very high92.3Very high0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-65.5-42.7176.300000112.7M285 L286 Y292 H293 I508 A511 V515M285-A289 WeakPolarHBondContact O-CB 3.48Å; M285-A289 PolarHBondContact O-N 2.86Å; L286-A289 PolarHBondContact O-N 2.92Å; A289-Y292 PolarHBondContact O-N 3.12Å; A289-H293 WeakPolarHBondContact O-CB 3.45Å; A289-H293 PolarHBondContact O-N 2.91Å; A289-I508 HydrophobicContact CB-CG2 4.26Å; A289-A511 HydrophobicContact CB-CB 3.82Å; A289-V515 HydrophobicContact CB-CG2 4.28Å
290L96.2Very high91.3Very high0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-64.3-45.2175.1-77.8165.8000111.7L286 F287 Y292 H293 I294 V515 L518 A523 R526 F527 I530L286-L290 HydrophobicContact CG-CD1 4.3Å; L286-L290 WeakPolarHBondContact O-CB 3.13Å; L286-L290 WeakPolarHBondContact O-CG 3.23Å; L286-L290 PolarHBondContact O-N 2.8Å; F287-L290 PolarHBondContact O-N 2.96Å; L290-Y292 VanDerWaalsContact C-N 3.31Å; L290-Y292 PolarHBondContact O-N 3.27Å; L290-H293 PolarHBondContact O-N 3.04Å; L290-I294 WeakPolarHBondContact O-CB 3.43Å; L290-I294 WeakPolarHBondContact O-CD1 3.18Å; L290-I294 WeakPolarHBondContact O-CG1 3.31Å; L290-I294 PolarHBondContact O-N 2.9Å; L290-V515 HydrophobicContact CD2-CB 3.9Å; L290-V515 HydrophobicContact CD2-CG1 3.66Å; L290-V515 HydrophobicContact CD2-CG2 4.31Å; L290-V515 HydrophobicContact CG-CG1 4.09Å; L290-L518 HydrophobicContact CD2-CD1 4.21Å; L290-A523 HydrophobicContact CD2-CB 4.33Å; L290-R526 HydrophobicContact CD1-CG 4.43Å; L290-R526 HydrophobicContact CD2-CB 4.39Å; L290-R526 HydrophobicContact CD2-CG 4.43Å; L290-F527 HydrophobicContact CB-CD2 3.92Å; L290-F527 HydrophobicContact CD1-CB 4.2Å; L290-F527 HydrophobicContact CD1-CD2 4.3Å; L290-I530 HydrophobicContact CD1-CD1 3.6Å
291Q95.7Very high89.7Confident3 Ų339.9 Ų39.91%0.01420%0.202CC..Hα-helixtrans-59.6-42.6175.8-78171.889.400112R269 F287 G288 N295 L490 F527R269-Q291 HydrophobicContact CG-CG 4.21Å; R269-Q291 VanDerWaalsContact CG-OE1 3.3Å; F287-Q291 WeakPolarHBondContact O-CB 3.28Å; F287-Q291 WeakPolarHBondContact O-CG 3.44Å; F287-Q291 PolarHBondContact O-N 2.78Å; F287-Q291 PolarHBondContact O-NE2 3.35Å; F287-Q291 VanDerWaalsContact O-NE2 3.08Å; G288-Q291 PolarHBondContact O-N 2.82Å; Q291-N295 WeakPolarHBondContact O-CB 3.29Å; Q291-N295 PolarHBondContact O-N 2.93Å; Q291-L490 HydrophobicContact CB-CD2 3.76Å; Q291-L490 PolarHBondContact NE2-O 3.14Å; Q291-F527 HydrophobicContact CG-CE2 3.84Å
292Y93.9Very high87.6Confident61 Ų6142.2 Ų42.224%0.23922%0.222CC..Hα-helixtrans-61.7-47.2175.5175.2-112.3000111.8G288 A289 L290 N295 K296 I485 Y512G288-Y292 WeakPolarHBondContact O-CB 3.46Å; G288-Y292 PolarHBondContact O-N 3.06Å; A289-Y292 PolarHBondContact O-N 3.12Å; L290-Y292 VanDerWaalsContact C-N 3.31Å; L290-Y292 PolarHBondContact O-N 3.27Å; Y292-N295 PolarHBondContact O-N 2.86Å; Y292-K296 WeakPolarHBondContact O-CB 3.15Å; Y292-K296 PolarHBondContact O-N 3.45Å; Y292-I485 HydrophobicContact CD1-CD1 4.09Å; Y292-I485 HydrophobicContact CD2-CD1 3.53Å; Y292-I485 HydrophobicContact CD2-CG1 3.86Å; Y292-I485 HydrophobicContact CE1-CD1 4.27Å; Y292-I485 HydrophobicContact CE2-CB 4.42Å; Y292-I485 HydrophobicContact CE2-CD1 3.74Å; Y292-I485 HydrophobicContact CE2-CG1 3.95Å; Y292-I485 HydrophobicContact CG-CD1 3.72Å; Y292-Y512 AromaticContact CD1-CD2 3.69Å; Y292-Y512 HydrophobicContact CD1-CD2 3.69Å; Y292-Y512 AromaticContact CD1-CE2 3.81Å; Y292-Y512 HydrophobicContact CD1-CE2 3.81Å; Y292-Y512 HydrophobicContact CD1-CG 4.34Å; Y292-Y512 HydrophobicContact CE1-CD2 4.13Å; Y292-Y512 AromaticContact CE1-CE2 3.95Å; Y292-Y512 HydrophobicContact CE1-CE2 3.95Å
293H93.3Very high85.5Confident6 Ų640.4 Ų40.43%0.02821%0.213CC..Hα-helixtrans-62-48.9178.4-173.562.5000112.1A289 L290 N295 K296 V297 Y512 V515 A516 L518A289-H293 WeakPolarHBondContact O-CB 3.45Å; A289-H293 PolarHBondContact O-N 2.91Å; L290-H293 PolarHBondContact O-N 3.04Å; H293-N295 VanDerWaalsContact C-N 3.34Å; H293-N295 PolarHBondContact O-N 2.63Å; H293-K296 PolarHBondContact O-N 2.95Å; H293-K296 VanDerWaalsContact O-N 3.15Å; H293-V297 VanDerWaalsContact CE1-CG2 3.41Å; H293-V297 WeakPolarHBondContact CE1-CG2 3.46Å; H293-V297 WeakPolarHBondContact O-CG2 3.4Å; H293-V297 PolarHBondContact O-N 2.8Å; H293-Y512 HydrophobicContact CB-CD2 4.1Å; H293-Y512 HydrophobicContact CB-CE2 3.8Å; H293-Y512 AromaticContact ND1-CE2 3.49Å; H293-Y512 WeakPolarHBondContact ND1-CE2 3.33Å; H293-V515 HydrophobicContact CB-CG2 4.39Å; H293-V515 PolarHBondContact NE2-O 2.82Å; H293-A516 PolarHBondContact CE1-O 3.36Å; H293-A516 VanDerWaalsContact CE1-O 3.28Å; H293-L518 PolarHBondContact NE2-O 3.44Å
294I94.1Very high82.8Confident1 Ų145.8 Ų45.81%0.00524%0.24CC..Hα-helixtrans-55.7-49.4177.5-71.7163.3000110.4T194 Y265 L290 K296 V297 A298 L520 A523 L524T194-I294 HydrophobicContact CG2-CG2 3.88Å; Y265-I294 HydrophobicContact CD2-CD1 4.26Å; Y265-I294 HydrophobicContact CE1-CG2 4.3Å; Y265-I294 HydrophobicContact CE2-CD1 3.49Å; Y265-I294 VanDerWaalsContact CE2-CD1 3.49Å; L290-I294 WeakPolarHBondContact O-CB 3.43Å; L290-I294 WeakPolarHBondContact O-CD1 3.18Å; L290-I294 WeakPolarHBondContact O-CG1 3.31Å; L290-I294 PolarHBondContact O-N 2.9Å; I294-K296 VanDerWaalsContact C-N 3.35Å; I294-K296 PolarHBondContact O-N 3.09Å; I294-V297 PolarHBondContact O-N 2.86Å; I294-A298 WeakPolarHBondContact O-CB 3.24Å; I294-A298 PolarHBondContact O-N 3.19Å; I294-L520 HydrophobicContact CB-CD1 4.41Å; I294-L520 HydrophobicContact CG2-CD1 3.86Å; I294-A523 HydrophobicContact CD1-CB 4.27Å; I294-A523 HydrophobicContact CG1-CB 3.65Å; I294-L524 HydrophobicContact CD1-CD2 3.95Å; I294-L524 HydrophobicContact CD1-CG 4.41Å; I294-L524 HydrophobicContact CG1-CD2 4.44Å; I294-L524 HydrophobicContact CG2-CD2 4.14Å
295N91.7Very high80.3Confident36 Ų3650.3 Ų50.319%0.19326%0.263CS..Hα-helixtrans-62.8-41.4178.6-178.274.2000112.2P197 Q291 Y292 H293 L299P197-N295 VanDerWaalsContact CD-CG 3.46Å; P197-N295 VanDerWaalsContact CD-OD1 3.25Å; P197-N295 WeakPolarHBondContact CD-OD1 3.4Å; P197-N295 HydrophobicContact CG-CB 4.23Å; Q291-N295 WeakPolarHBondContact O-CB 3.29Å; Q291-N295 PolarHBondContact O-N 2.93Å; Y292-N295 PolarHBondContact O-N 2.86Å; H293-N295 VanDerWaalsContact C-N 3.34Å; H293-N295 PolarHBondContact O-N 2.63Å; N295-L299 WeakPolarHBondContact O-CD1 3.45Å; N295-L299 VanDerWaalsContact O-CG 3.26Å; N295-L299 WeakPolarHBondContact O-CG 3.32Å; N295-L299 PolarHBondContact O-N 3.41Å
296K89.7Confident77.4Confident96 Ų9653.6 Ų53.642%0.41729%0.287SS..Hα-helixtrans-63.4-48.9178.5-175.6-176.9175.3-173.30111.6Y292 H293 I294 L299 S300 Y512Y292-K296 WeakPolarHBondContact O-CB 3.15Å; Y292-K296 PolarHBondContact O-N 3.45Å; H293-K296 PolarHBondContact O-N 2.95Å; H293-K296 VanDerWaalsContact O-N 3.15Å; I294-K296 VanDerWaalsContact C-N 3.35Å; I294-K296 PolarHBondContact O-N 3.09Å; K296-L299 PolarHBondContact O-N 3.03Å; K296-S300 WeakPolarHBondContact O-CB 3.42Å; K296-S300 PolarHBondContact O-N 2.79Å; K296-S300 PolarHBondContact O-OG 3.18Å; K296-S300 VanDerWaalsContact O-OG 3.11Å; K296-Y512 PolarHBondContact NZ-OH 3.47Å
297V87.9Confident74.8Confident15 Ų1555.9 Ų55.99%0.09131%0.306CS..Hα-helixtrans-66.4-41.6-179179.10000111H293 I294 L299 S300 E301 L520H293-V297 VanDerWaalsContact CE1-CG2 3.41Å; H293-V297 WeakPolarHBondContact CE1-CG2 3.46Å; H293-V297 WeakPolarHBondContact O-CG2 3.4Å; H293-V297 PolarHBondContact O-N 2.8Å; I294-V297 PolarHBondContact O-N 2.86Å; V297-L299 PolarHBondContact O-N 3.25Å; V297-S300 WeakPolarHBondContact CA-OG 3.38Å; V297-S300 PolarHBondContact O-N 2.85Å; V297-S300 PolarHBondContact O-OG 2.95Å; V297-E301 HydrophobicContact CG1-CG 4.13Å; V297-E301 PolarHBondContact O-N 3.29Å; V297-L520 HydrophobicContact CG1-CB 3.9Å
298A86.6Confident71.9Confident20 Ų2059.8 Ų59.817%0.16533%0.327CS..Hα-helixtrans-61.6-25.8177.200000113.7I294 L520I294-A298 WeakPolarHBondContact O-CB 3.24Å; I294-A298 PolarHBondContact O-N 3.19Å; A298-L520 HydrophobicContact CB-CD1 4.33Å
299L80.6Confident69.5Low133 Ų13362.6 Ų62.670%0.69635%0.351SS*.Hα-helixtrans-88.4-32175.2-68.5169.4000113N295 K296 V297N295-L299 WeakPolarHBondContact O-CD1 3.45Å; N295-L299 VanDerWaalsContact O-CG 3.26Å; N295-L299 WeakPolarHBondContact O-CG 3.32Å; N295-L299 PolarHBondContact O-N 3.41Å; K296-L299 PolarHBondContact O-N 3.03Å; V297-L299 PolarHBondContact O-N 3.25Å
300S70.2Confident66.8Low79 Ų7966.1 Ų66.155%0.55238%0.38SS*.Hα-helixtrans-88.6-29.9-173.860.90000114.3K296 V297 P302K296-S300 WeakPolarHBondContact O-CB 3.42Å; K296-S300 PolarHBondContact O-N 2.79Å; K296-S300 PolarHBondContact O-OG 3.18Å; K296-S300 VanDerWaalsContact O-OG 3.11Å; V297-S300 WeakPolarHBondContact CA-OG 3.38Å; V297-S300 PolarHBondContact O-N 2.85Å; V297-S300 PolarHBondContact O-OG 2.95Å; S300-P302 WeakPolarHBondContact O-CD 3.36Å
301E58.7Low64.2Low98 Ų9870.8 Ų70.846%0.45840%0.404SS..SBendtrans-80.5108.4168.5-72-179.317200107V297 Q303V297-E301 HydrophobicContact CG1-CG 4.13Å; V297-E301 PolarHBondContact O-N 3.29Å; E301-Q303 PolarHBondContact O-N 3.12Å
302P46.2Very low61.8Low104 Ų10474.9 Ų74.968%0.67543%0.426SS*.  trans-55.6115.8154.824.2-28.7000104.3S300 M304S300-P302 WeakPolarHBondContact O-CD 3.36Å; P302-M304 PolarHBondContact O-N 2.87Å
303Q46.5Very low59.8Low90 Ų9077.8 Ų77.842%0.42145%0.446SS..  trans-64.863.4163.5-75173.1-3400107.6E301 M305E301-Q303 PolarHBondContact O-N 3.12Å; Q303-M305 VanDerWaalsContact C-N 3.31Å; Q303-M305 PolarHBondContact O-N 2.87Å; Q303-M305 VanDerWaalsContact O-N 3.09Å
304M35.9Very low57.5Low161 Ų16182.3 Ų82.379%0.79347%0.47SS*.  trans-58.7110.9147-86.8-172.6133.200103.3P302 S306P302-M304 PolarHBondContact O-N 2.87Å; M304-S306 PolarHBondContact O-N 2.86Å
305M44.4Very low55.2Low98 Ų9888.4 Ų88.448%0.48350%0.498SS..  trans-56.673158.3-71.5144.39500107.2N172 M174 Q303 S307N172-M305 HydrophobicContact CB-CE 4.1Å; N172-M305 WeakPolarHBondContact O-CE 3.22Å; M174-M305 HydrophobicContact CB-CE 4.16Å; M174-M305 HydrophobicContact CG-CE 3.9Å; M174-M305 HydrophobicContact SD-CE 3.61Å; Q303-M305 VanDerWaalsContact C-N 3.31Å; Q303-M305 PolarHBondContact O-N 2.87Å; Q303-M305 VanDerWaalsContact O-N 3.09Å; M305-S307 PolarHBondContact O-N 2.95Å
306S32.9Very low53.4Low80 Ų8090.5 Ų90.556%0.55952%0.516SS*.  trans-77.5108.9171.8-176.90000105.1M304 N308M304-S306 PolarHBondContact O-N 2.86Å; S306-N308 PolarHBondContact O-N 2.86Å
307S38.5Very low51.3Low92 Ų9287.8 Ų87.864%0.64351%0.511SS*.  trans-42.283.1159.650.70000111.8M305M305-S307 PolarHBondContact O-N 2.95Å
308N37.7Very low49.4Very low82 Ų8292.4 Ų92.444%0.43954%0.535SS..  trans-82.4-1.7164.7-84.1-5.3000112S306 A310 L311 D312S306-N308 PolarHBondContact O-N 2.86Å; N308-A310 PolarHBondContact O-N 2.95Å; N308-L311 PolarHBondContact O-N 2.89Å; N308-L311 VanDerWaalsContact O-N 3.07Å; N308-D312 WeakPolarHBondContact O-CB 3.21Å; N308-D312 PolarHBondContact O-N 3.46Å
309A43Very low47.6Very low60 Ų6098.9 Ų98.950%0.49656%0.561SS.*Hα-helixtrans-58-36.7174.500000112.2D313A309-D313 WeakPolarHBondContact O-CB 3.34Å; A309-D313 VanDerWaalsContact O-CG 3.32Å; A309-D313 PolarHBondContact O-N 3.05Å
310A39.5Very low45.9Very low73 Ų7396.7 Ų96.760%0.60356%0.557SS**Hα-helixtrans-79.3-21.717700000113.7N308 L314N308-A310 PolarHBondContact O-N 2.95Å; A310-L314 WeakPolarHBondContact O-CB 3.36Å; A310-L314 PolarHBondContact O-N 2.76Å
311L41.8Very low44.5Very low99 Ų9999.5 Ų99.552%0.51857%0.565SS.*Hα-helixtrans-88.5-38.7178.7-83166.3000111.8N308 L314 E315N308-L311 PolarHBondContact O-N 2.89Å; N308-L311 VanDerWaalsContact O-N 3.07Å; L311-L314 CarbonylContact O-C 3.55Å; L311-L314 WeakPolarHBondContact O-CB 3.3Å; L311-L314 PolarHBondContact O-N 2.96Å; L311-L314 VanDerWaalsContact O-N 3.14Å; L311-E315 WeakPolarHBondContact O-CB 3.45Å; L311-E315 PolarHBondContact O-N 2.81Å
312D44Very low43.6Very low89 Ų89103.1 Ų103.148%0.47658%0.582SS.*Hα-helixtrans-66-38.4174.6-76.1-9.5000111.2N308 L314 S316N308-D312 WeakPolarHBondContact O-CB 3.21Å; N308-D312 PolarHBondContact O-N 3.46Å; D312-L314 VanDerWaalsContact C-N 3.28Å; D312-L314 PolarHBondContact O-N 2.9Å; D312-S316 VanDerWaalsContact O-CB 3.23Å; D312-S316 WeakPolarHBondContact O-CB 3.31Å; D312-S316 PolarHBondContact O-N 3.38Å
313D52.8Low43.2Very low121 Ų121104 Ų10465%0.64759%0.586SS**Hα-helixtrans-67.6-30.6173-76.2-12.9000111.5A309 A317A309-D313 WeakPolarHBondContact O-CB 3.34Å; A309-D313 VanDerWaalsContact O-CG 3.32Å; A309-D313 PolarHBondContact O-N 3.05Å; D313-A317 WeakPolarHBondContact O-CB 3.45Å; D313-A317 PolarHBondContact O-N 2.88Å
314L44Very low42.7Very low101 Ų101108 Ų10853%0.52960%0.601SS.*Hα-helixtrans-77.3-37.6177.3-162.976.8000112.2A310 L311 D312 A317 L318A310-L314 WeakPolarHBondContact O-CB 3.36Å; A310-L314 PolarHBondContact O-N 2.76Å; L311-L314 CarbonylContact O-C 3.55Å; L311-L314 WeakPolarHBondContact O-CB 3.3Å; L311-L314 PolarHBondContact O-N 2.96Å; L311-L314 VanDerWaalsContact O-N 3.14Å; D312-L314 VanDerWaalsContact C-N 3.28Å; D312-L314 PolarHBondContact O-N 2.9Å; L314-A317 PolarHBondContact O-N 3.27Å; L314-L318 HydrophobicContact CG-CD1 4.49Å; L314-L318 WeakPolarHBondContact O-CB 3.43Å; L314-L318 WeakPolarHBondContact O-CD1 3.32Å; L314-L318 WeakPolarHBondContact O-CG 3.19Å; L314-L318 PolarHBondContact O-N 3.09Å
315E47.7Very low42.6Very low130 Ų130109.3 Ų109.361%0.60761%0.608SS**Hα-helixtrans-72.1-39.2176.1-166.8159.6-154.800110.7L311 A317 L318 Q319L311-E315 WeakPolarHBondContact O-CB 3.45Å; L311-E315 PolarHBondContact O-N 2.81Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 3.41Å; E315-L318 PolarHBondContact O-N 2.73Å; E315-Q319 WeakPolarHBondContact O-CB 3.47Å; E315-Q319 PolarHBondContact O-N 2.93Å
316S52.9Low42.1Very low80 Ų80112.8 Ų112.856%0.55962%0.623SS**Hα-helixtrans-64.9-34.7169-167.60000112.2D312 S320D312-S316 VanDerWaalsContact O-CB 3.23Å; D312-S316 WeakPolarHBondContact O-CB 3.31Å; D312-S316 PolarHBondContact O-N 3.38Å; S316-S320 PolarHBondContact O-N 3.36Å; S316-S320 PolarHBondContact O-OG 3.49Å
317A46.1Very low42Very low38 Ų38112.4 Ų112.431%0.31463%0.632SS.*Hα-helixtrans-71.1-39174.900000112.8D313 L314 E315 Q319 S320 L321D313-A317 WeakPolarHBondContact O-CB 3.45Å; D313-A317 PolarHBondContact O-N 2.88Å; L314-A317 PolarHBondContact O-N 3.27Å; E315-A317 VanDerWaalsContact C-N 3.32Å; E315-A317 PolarHBondContact O-N 3.41Å; A317-Q319 VanDerWaalsContact C-N 3.35Å; A317-S320 VanDerWaalsContact CA-OG 3.28Å; A317-S320 WeakPolarHBondContact CA-OG 3.13Å; A317-S320 PolarHBondContact O-N 3.5Å; A317-S320 PolarHBondContact O-OG 2.84Å; A317-L321 PolarHBondContact O-N 2.74Å
318L46.7Very low41.6Very low113 Ų113116.3 Ų116.359%0.59265%0.645SS**Hα-helixtrans-63.8-39.5174.7-84.2160000111.6L314 E315 S320 L321 E322L314-L318 HydrophobicContact CG-CD1 4.49Å; L314-L318 WeakPolarHBondContact O-CB 3.43Å; L314-L318 WeakPolarHBondContact O-CD1 3.32Å; L314-L318 WeakPolarHBondContact O-CG 3.19Å; L314-L318 PolarHBondContact O-N 3.09Å; E315-L318 PolarHBondContact O-N 2.73Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 2.64Å; L318-L321 PolarHBondContact O-N 2.94Å; L318-L321 VanDerWaalsContact O-N 3.13Å; L318-E322 PolarHBondContact O-N 3.13Å
319Q50.1Low41.2Very low155 Ų155117.9 Ų117.972%0.72466%0.663SS**Hα-helixtrans-71.4-25.5177.8-151.3137.139.300112.9E315 A317E315-Q319 WeakPolarHBondContact O-CB 3.47Å; E315-Q319 PolarHBondContact O-N 2.93Å; A317-Q319 VanDerWaalsContact C-N 3.35Å
320S43.7Very low40.5Very low87 Ų87120.8 Ų120.861%0.60868%0.68SS**THydrogen-bonded Turntrans-82.3-8.917047.20000114.8S316 A317 L318S316-S320 PolarHBondContact O-N 3.36Å; S316-S320 PolarHBondContact O-OG 3.49Å; A317-S320 VanDerWaalsContact CA-OG 3.28Å; A317-S320 WeakPolarHBondContact CA-OG 3.13Å; A317-S320 PolarHBondContact O-N 3.5Å; A317-S320 PolarHBondContact O-OG 2.84Å; L318-S320 VanDerWaalsContact C-N 3.3Å; L318-S320 PolarHBondContact O-N 2.64Å
321L40.6Very low40.1Very low139 Ų139123.1 Ų123.173%0.72869%0.692SS**THydrogen-bonded Turntrans-103.6-1179.5-81163.3000114.2A317 L318 V323A317-L321 PolarHBondContact O-N 2.74Å; L318-L321 PolarHBondContact O-N 2.94Å; L318-L321 VanDerWaalsContact O-N 3.13Å; L321-V323 PolarHBondContact O-N 2.8Å
322E40.5Very low39.8Very low174 Ų174123.6 Ų123.681%0.81371%0.71SS**  trans-78.665.3169.2-106.3-175.7174.200111.5L318L318-E322 PolarHBondContact O-N 3.13Å
323V38Very low39.3Very low123 Ų123124.2 Ų124.275%0.74572%0.721SS**  trans-82.7113164.2176.10000108L321 M325L321-V323 PolarHBondContact O-N 2.8Å; V323-M325 PolarHBondContact O-N 3.11Å
324K36.3Very low38.4Very low172 Ų172125.8 Ų125.875%0.74873%0.729SS**  trans-45.8121.6170-81.9177.6166.2-169.50111.6
325M34.3Very low38Very low190 Ų190128.9 Ų128.994%0.93675%0.746SS**  trans-96104.5149-78.9-158.9-69.400108.1V323V323-M325 PolarHBondContact O-N 3.11Å
326E33.9Very low37.5Very low171 Ų171130.8 Ų130.880%0.79976%0.759SS**  trans-73.8116.2159.4-81.1172.6177.200107.7
327G30Very low36.6Very low72 Ų72135.5 Ų135.574%0.74277%0.772SS**  trans-129.6103170.200000108.5S329G327-S329 PolarHBondContact O-N 2.98Å
328D30.7Very low36.1Very low173 Ų173140 Ų14093%0.92579%0.791SS**  trans-56.1130.4170.1-82.3-37000110.9
329S29.1Very low35.6Very low115 Ų115144.5 Ų144.580%0.80481%0.812SS**  trans-149.2115.3141.452.10000109.3G327G327-S329 PolarHBondContact O-N 2.98Å
330S29.1Very low35.4Very low122 Ų122142.5 Ų142.585%0.85381%0.81SS**  trans-65136.3171.243.70000110.6
331S30.4Very low35.8Very low122 Ų122141.6 Ų141.685%0.85381%0.808SS**  trans-136.1121.1146.153.50000108.8
332A36.3Very low36.9Very low109 Ų109137.4 Ų137.490%0.90179%0.789SS**  trans-84.5107.6176.600000108.7
333S33.4Very low38.4Very low101 Ų101137 Ų13771%0.70679%0.787SS**  trans-170101.4151.5-178.40000107
334D32Very low40.7Very low155 Ų155131.6 Ų131.683%0.82975%0.754SS**  trans167.873.8136.2-79.7-4000107.3
335L36.4Very low43.4Very low166 Ų166125.3 Ų125.387%0.86973%0.729SS**  trans-80.1139.4161.6-79.3164.9000108
336L37.5Very low46.1Very low169 Ų169118.4 Ų118.489%0.88570%0.695SS**  trans103.680.7165.8-62.4147.2000115.3
337E33.5Very low48.8Very low180 Ų180113.9 Ų113.984%0.84167%0.672SS**SBendtrans-151.7109.4137.2-110.3169.9-157.100111
338N35.2Very low51.7Low133 Ų133110.6 Ų110.671%0.71164%0.637SS**  trans61.299.6155.8-56.1-26.3000120.2T340N338-T340 PolarHBondContact O-N 3.37Å
339M37.8Very low54.6Low207 Ų207105.7 Ų105.7100%1.0261%0.607SS**  trans-68.765.8158-78.8-126.4-179.800111.8
340T44.6Very low57.4Low112 Ų112100.8 Ų100.869%0.68757%0.572SS**SBendtrans-135.8117.5161.4-3.80000105.5N338N338-T340 PolarHBondContact O-N 3.37Å
341A51.9Low60Low69 Ų6997 Ų9757%0.5754%0.54SS*.PPolyproline II helixtrans-52.5130.6176.300000108.3E343A341-E343 PolarHBondContact O-N 3.06Å
342P63.2Low62.3Low51 Ų5194.6 Ų94.633%0.33151%0.512SS..PPolyproline II helixtrans-61.5117.8-178-8.515.3000109.1L449 F454P342-L449 HydrophobicContact CB-CB 4.43Å; P342-L449 HydrophobicContact CG-CB 4.19Å; P342-L449 WeakPolarHBondContact CG-O 3.45Å; P342-L449 WeakPolarHBondContact O-CD1 3.32Å; P342-F454 HydrophobicContact CB-CE1 4.2Å; P342-F454 HydrophobicContact CG-CD1 4.17Å; P342-F454 HydrophobicContact CG-CE1 4.25Å
343E73Confident63.6Low165 Ų16592.3 Ų92.377%0.77149%0.488SS*.PPolyproline II helixtrans-87.3117.8174.2-67.3-170.3-176.600109.3A341 N345A341-E343 PolarHBondContact O-N 3.06Å; E343-N345 PolarHBondContact OE2-ND2 3.34Å
344L87.2Confident64.8Low10 Ų1094.7 Ų94.75%0.05249%0.486CS..EExtended strand (participates in β ladder)trans-105.796-178.8-172.4124.5000108.4F368 Q435 W436 L449 F454L344-F368 HydrophobicContact CB-CB 3.84Å; L344-F368 HydrophobicContact CD2-CB 3.66Å; L344-F368 HydrophobicContact CD2-CD2 3.76Å; L344-F368 HydrophobicContact CD2-CG 3.97Å; L344-F368 HydrophobicContact CG-CB 4.41Å; L344-F368 WeakPolarHBondContact O-CB 3.41Å; L344-F368 PolarHBondContact O-N 2.88Å; L344-Q435 HydrophobicContact CD1-CB 3.7Å; L344-W436 HydrophobicContact CD2-CD2 3.23Å; L344-W436 HydrophobicContact CD2-CE3 3.48Å; L344-W436 VanDerWaalsContact CD2-CE3 3.48Å; L344-W436 HydrophobicContact CD2-CG 3.76Å; L344-W436 HydrophobicContact CD2-CH2 3.67Å; L344-W436 HydrophobicContact CD2-CZ2 3.49Å; L344-W436 VanDerWaalsContact CD2-CZ2 3.49Å; L344-W436 HydrophobicContact CD2-CZ3 3.7Å; L344-W436 HydrophobicContact CG-CD2 4.22Å; L344-W436 HydrophobicContact CG-CG 4.49Å; L344-W436 HydrophobicContact CG-CZ2 4.08Å; L344-L449 HydrophobicContact CB-CD1 3.69Å; L344-F454 HydrophobicContact CD1-CZ 4.17Å
345N91.1Very high65.7Low40 Ų4099 Ų9921%0.21449%0.491CS..EExtended strand (participates in β ladder)trans-130.7117.9-174-55.1-46.8000110.4E343 W365 F366 K367E343-N345 PolarHBondContact OE2-ND2 3.34Å; N345-W365 HydrophobicContact CB-CH2 4.19Å; N345-W365 HydrophobicContact CB-CZ2 3.6Å; N345-F366 CarbonylContact C-O 3.59Å; N345-F366 VanDerWaalsContact CA-O 3.23Å; N345-F366 WeakPolarHBondContact CA-O 3.4Å; N345-K367 VanDerWaalsContact OD1-CA 3.31Å; N345-K367 WeakPolarHBondContact OD1-CA 3.33Å; N345-K367 WeakPolarHBondContact OD1-CB 3.47Å; N345-K367 VanDerWaalsContact OD1-CG 3.29Å; N345-K367 WeakPolarHBondContact OD1-CG 3.31Å
346D91.3Very high66.1Low45 Ų4598.4 Ų98.424%0.24149%0.488CS..EExtended strand (participates in β ladder)trans-153.2162.2-173.3-81-58.4000112.9F366 W436D346-F366 PolarHBondContact N-O 3.32Å; D346-F366 PolarHBondContact O-N 2.95Å; D346-W436 HydrophobicContact CB-CZ2 3.89Å; D346-W436 PolarHBondContact OD2-NE1 2.64Å
347Y91.3Very high66.3Low76 Ų7693.9 Ų93.930%0.29847%0.467SS..EExtended strand (participates in β ladder)trans-78.5121.2161.9-74.8-75000110.2Q363 Y364 W365 K379 Q432Y347-Q363 HydrophobicContact CD1-CG 4.23Å; Y347-Y364 WeakPolarHBondContact CA-O 3.26Å; Y347-W365 HydrophobicContact CD1-CB 4.29Å; Y347-W365 HydrophobicContact CD1-CE3 4.05Å; Y347-W365 AromaticContact CD2-CE3 3.52Å; Y347-W365 HydrophobicContact CD2-CE3 3.52Å; Y347-W365 AromaticContact CD2-CZ3 3.66Å; Y347-W365 HydrophobicContact CD2-CZ3 3.66Å; Y347-W365 HydrophobicContact CE1-CB 3.93Å; Y347-W365 AromaticContact CE1-CE3 3.98Å; Y347-W365 HydrophobicContact CE1-CE3 3.98Å; Y347-W365 AromaticContact CE2-CE3 3.45Å; Y347-W365 HydrophobicContact CE2-CE3 3.45Å; Y347-W365 VanDerWaalsContact CE2-CE3 3.45Å; Y347-W365 AromaticContact CE2-CZ3 3.71Å; Y347-W365 HydrophobicContact CE2-CZ3 3.71Å; Y347-W365 AromaticContact CG-CE3 3.82Å; Y347-W365 HydrophobicContact CG-CE3 3.82Å; Y347-W365 HydrophobicContact CG-CZ3 4.31Å; Y347-W365 AromaticContact CZ-CE3 3.69Å; Y347-K379 PolarHBondContact OH-N 3.23Å; Y347-Q432 PolarHBondContact O-NE2 2.93Å
348L91Very high66.8Low2 Ų291.3 Ų91.31%0.0146%0.458CS..EExtended strand (participates in β ladder)trans-126.6161.7172.2-57.4175.8000110.1Q363 Y364 F366 L425 C427 Q432 W436L348-Q363 WeakPolarHBondContact O-CA 3.26Å; L348-Y364 PolarHBondContact N-O 3.43Å; L348-Y364 VanDerWaalsContact N-O 3.11Å; L348-Y364 PolarHBondContact O-N 3.47Å; L348-F366 HydrophobicContact CB-CD2 3.55Å; L348-F366 HydrophobicContact CB-CE2 3.75Å; L348-F366 HydrophobicContact CB-CG 4.22Å; L348-F366 HydrophobicContact CD1-CB 4.23Å; L348-F366 HydrophobicContact CD1-CD1 4.33Å; L348-F366 HydrophobicContact CD1-CD2 4.15Å; L348-F366 HydrophobicContact CD1-CG 3.97Å; L348-F366 HydrophobicContact CG-CD2 4.05Å; L348-F366 HydrophobicContact CG-CG 4.3Å; L348-F366 WeakPolarHBondContact O-CE2 3.49Å; L348-L425 HydrophobicContact CD1-CD1 4.48Å; L348-C427 HydrophobicContact CD2-CB 4.32Å; L348-Q432 HydrophobicContact CD2-CG 4.17Å; L348-W436 HydrophobicContact CD1-CD2 3.5Å; L348-W436 VanDerWaalsContact CD1-CD2 3.5Å; L348-W436 HydrophobicContact CD1-CE3 3.51Å; L348-W436 HydrophobicContact CD1-CG 4.22Å; L348-W436 HydrophobicContact CD1-CH2 3.93Å; L348-W436 HydrophobicContact CD1-CZ2 3.87Å; L348-W436 HydrophobicContact CD1-CZ3 3.73Å; L348-W436 HydrophobicContact CD2-CD2 4.46Å; L348-W436 HydrophobicContact CG-CD2 4.4Å; L348-W436 HydrophobicContact CG-CZ2 4.34Å
349K90.7Very high67.6Low71 Ų7191.3 Ų91.331%0.30945%0.452SS..EExtended strand (participates in β ladder)trans-102.5128.9170.1-48.1176.4176.8170.10110.5Y361 K362 Q363 L425 R426K349-Y361 HydrophobicContact CB-CD1 4.03Å; K349-Y361 HydrophobicContact CB-CG 4.42Å; K349-K362 CarbonylContact C-O 3.53Å; K349-K362 VanDerWaalsContact CA-O 3.26Å; K349-K362 WeakPolarHBondContact CA-O 3.21Å; K349-Q363 HydrophobicContact CG-CB 4.08Å; K349-Q363 HydrophobicContact CG-CG 4.39Å; K349-L425 CarbonylContact O-C 3.54Å; K349-R426 HydrophobicContact CB-CB 4.09Å; K349-R426 PolarHBondContact N-O 2.74Å; K349-R426 VanDerWaalsContact N-O 3.09Å; K349-R426 PolarHBondContact O-N 2.76Å
350I88.6Confident69Low11 Ų1183.9 Ų83.96%0.05643%0.428CS..EExtended strand (participates in β ladder)trans-106.6140.5177-167.2170.1000110.9K362 Y364 F366 Y375 V423 Y424 L425I350-K362 PolarHBondContact N-O 2.93Å; I350-K362 PolarHBondContact O-N 3.06Å; I350-K362 VanDerWaalsContact O-N 3.07Å; I350-Y364 HydrophobicContact CG2-CD2 3.48Å; I350-Y364 VanDerWaalsContact CG2-CD2 3.48Å; I350-Y364 HydrophobicContact CG2-CE2 3.65Å; I350-F366 HydrophobicContact CB-CZ 3.82Å; I350-F366 HydrophobicContact CD1-CE1 4.27Å; I350-F366 HydrophobicContact CD1-CZ 4.09Å; I350-F366 HydrophobicContact CG1-CZ 4.46Å; I350-F366 HydrophobicContact CG2-CZ 4.19Å; I350-Y375 HydrophobicContact CD1-CE1 4.12Å; I350-V423 HydrophobicContact CD1-CG1 3.58Å; I350-V423 HydrophobicContact CG1-CG1 3.62Å; I350-Y424 CarbonylContact C-O 3.48Å; I350-Y424 VanDerWaalsContact CA-O 3.32Å; I350-Y424 WeakPolarHBondContact CA-O 3.27Å; I350-L425 HydrophobicContact CB-CD2 4.24Å; I350-L425 HydrophobicContact CD1-CD2 4.16Å; I350-L425 HydrophobicContact CG1-CD2 4Å
351F84.5Confident70.6Confident43 Ų4382.3 Ų82.319%0.18941%0.41CS..EExtended strand (participates in β ladder)trans-129.4136.8170173.2-106.8000109.4P353 K359 Y361 Y424F351-P353 HydrophobicContact CE1-CB 4.49Å; F351-P353 HydrophobicContact CE1-CG 4.01Å; F351-K359 WeakPolarHBondContact CD2-O 3.29Å; F351-K359 VanDerWaalsContact CE2-O 3.23Å; F351-K359 WeakPolarHBondContact CE2-O 3.41Å; F351-Y361 HydrophobicContact CB-CD1 3.58Å; F351-Y361 HydrophobicContact CB-CD2 4.34Å; F351-Y361 HydrophobicContact CB-CE1 3.42Å; F351-Y361 VanDerWaalsContact CB-CE1 3.42Å; F351-Y361 HydrophobicContact CB-CE2 4.2Å; F351-Y361 HydrophobicContact CB-CG 4.03Å; F351-Y361 HydrophobicContact CG-CE1 4.43Å; F351-Y361 HydrophobicContact CG-CE2 4.48Å; F351-Y424 AromaticContact CD1-CD2 3.68Å; F351-Y424 HydrophobicContact CD1-CD2 3.68Å; F351-Y424 HydrophobicContact CD1-CE2 4.27Å; F351-Y424 HydrophobicContact CD1-CG 4.27Å; F351-Y424 HydrophobicContact CE1-CD2 4.3Å; F351-Y424 HydrophobicContact CE1-CE2 4.47Å; F351-Y424 PolarHBondContact N-O 2.57Å; F351-Y424 PolarHBondContact O-N 3.47Å
352R78.4Confident72.2Confident71 Ų7183.5 Ų83.527%0.26840%0.403SS..  trans-125.4121.6173.8-70.9-156.4179.1104.7-1.7109.2K354 Y375 I390 V423R352-K354 PolarHBondContact O-N 2.66Å; R352-Y375 PolarHBondContact NH1-OH 3.06Å; R352-I390 VanDerWaalsContact NH2-CD1 3.34Å; R352-V423 HydrophobicContact CG-CG1 4.33Å; R352-V423 HydrophobicContact CG-CG2 4.08Å; R352-V423 VanDerWaalsContact NE-CG2 3.34Å
353P63.4Low73.5Confident61 Ų6185.5 Ų85.540%0.39641%0.408SS..  trans-65.397.7169.7-1226.9000108.4F351 E422 Y424F351-P353 HydrophobicContact CE1-CB 4.49Å; F351-P353 HydrophobicContact CE1-CG 4.01Å; P353-E422 WeakPolarHBondContact CD-O 3.23Å; P353-E422 HydrophobicContact CG-CB 4.41Å; P353-E422 HydrophobicContact CG-CG 4.38Å; P353-Y424 HydrophobicContact CG-CD2 4.21Å; P353-Y424 HydrophobicContact CG-CE2 3.67Å
354K57.9Low74.4Confident151 Ų15180 Ų8066%0.65738%0.38SS*.BIsolated β-bridgetrans-83.7138162.2-72.6-164.4176.8-165.70107.4R352 L356R352-K354 PolarHBondContact O-N 2.66Å; K354-L356 PolarHBondContact O-N 3.38Å
355R51.6Low74.7Confident247 Ų24780.7 Ų80.793%0.93238%0.382SS*.THydrogen-bonded Turntrans-49.4-20.5-177.9-72-176.3176.91790.1114.8
356L45.2Very low74.8Confident153 Ų15378.8 Ų78.880%0.80137%0.372SS*.THydrogen-bonded Turntrans-146.317.9-172.8-70.2168.6000116.1K354K354-L356 PolarHBondContact O-N 3.38Å
357T42Very low74.8Confident74 Ų7479.4 Ų79.445%0.45437%0.372SS..BIsolated β-bridgetrans-145.9119.3171.458.10000112.3K359T357-K359 VanDerWaalsContact C-N 3.28Å; T357-K359 PolarHBondContact O-N 2.92Å
358L42.8Very low74.7Confident125 Ų12576.2 Ų76.265%0.65436%0.36SS*.  trans-70.782.7164.1-77.1163.1000109.3E282E282-L358 HydrophobicContact CB-CD1 4.45Å; E282-L358 WeakPolarHBondContact OE2-CD1 3.45Å
359K52Low74.5Confident134 Ų13482.3 Ų82.358%0.58339%0.388SS*.  trans-90.2109.6157-71.6-170.6-178.9-179.50106.5F351 T357F351-K359 WeakPolarHBondContact CD2-O 3.29Å; F351-K359 VanDerWaalsContact CE2-O 3.23Å; F351-K359 WeakPolarHBondContact CE2-O 3.41Å; T357-K359 VanDerWaalsContact C-N 3.28Å; T357-K359 PolarHBondContact O-N 2.92Å
360G66.9Low74.2Confident50 Ų5084.4 Ų84.452%0.51540%0.403SS..  trans-57.7174.5176.100000113.3K362G360-K362 PolarHBondContact O-N 3.49Å
361Y79.6Confident74.1Confident79 Ų7985.3 Ų85.331%0.3141%0.409SS..  trans-51125.3178.9-76.8-85.5000112K349 F351 L409 R426K349-Y361 HydrophobicContact CB-CD1 4.03Å; K349-Y361 HydrophobicContact CB-CG 4.42Å; F351-Y361 HydrophobicContact CB-CD1 3.58Å; F351-Y361 HydrophobicContact CB-CD2 4.34Å; F351-Y361 HydrophobicContact CB-CE1 3.42Å; F351-Y361 VanDerWaalsContact CB-CE1 3.42Å; F351-Y361 HydrophobicContact CB-CE2 4.2Å; F351-Y361 HydrophobicContact CB-CG 4.03Å; F351-Y361 HydrophobicContact CG-CE1 4.43Å; F351-Y361 HydrophobicContact CG-CE2 4.48Å; Y361-L409 HydrophobicContact CE1-CD2 3.72Å; Y361-L409 VanDerWaalsContact OH-CD1 3.28Å; Y361-L409 WeakPolarHBondContact OH-CD1 3.41Å; Y361-L409 WeakPolarHBondContact OH-CD2 3.05Å; Y361-R426 HydrophobicContact CD1-CB 4.07Å; Y361-R426 HydrophobicContact CE1-CB 4Å
362K84.4Confident74.3Confident95 Ų9584 Ų8441%0.41341%0.405SS..EExtended strand (participates in β ladder)trans-113.5133.6175.3-68-170.3176.7-161.90110.4K349 I350 G360 Y364K349-K362 CarbonylContact C-O 3.53Å; K349-K362 VanDerWaalsContact CA-O 3.26Å; K349-K362 WeakPolarHBondContact CA-O 3.21Å; I350-K362 PolarHBondContact N-O 2.93Å; I350-K362 PolarHBondContact O-N 3.06Å; I350-K362 VanDerWaalsContact O-N 3.07Å; G360-K362 PolarHBondContact O-N 3.49Å; K362-Y364 HydrophobicContact CB-CD2 4.26Å; K362-Y364 HydrophobicContact CB-CE2 3.52Å; K362-Y364 HydrophobicContact CD-CE2 4.46Å; K362-Y364 WeakPolarHBondContact CD-OH 3.26Å
363Q90.4Very high75Confident93 Ų9380.6 Ų80.644%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-81.6133.8178.1-170.1165.5-27.300110.5Y347 L348 K349Y347-Q363 HydrophobicContact CD1-CG 4.23Å; L348-Q363 WeakPolarHBondContact O-CA 3.26Å; K349-Q363 HydrophobicContact CG-CB 4.08Å; K349-Q363 HydrophobicContact CG-CG 4.39Å
364Y92.2Very high76.4Confident50 Ų5078.1 Ų78.120%0.19638%0.377CS..EExtended strand (participates in β ladder)trans-142164.1176.2-65.7-70.9000109.8Y347 L348 I350 K362 F366 Y375 F376 I387Y347-Y364 WeakPolarHBondContact CA-O 3.26Å; L348-Y364 PolarHBondContact N-O 3.43Å; L348-Y364 VanDerWaalsContact N-O 3.11Å; L348-Y364 PolarHBondContact O-N 3.47Å; I350-Y364 HydrophobicContact CG2-CD2 3.48Å; I350-Y364 VanDerWaalsContact CG2-CD2 3.48Å; I350-Y364 HydrophobicContact CG2-CE2 3.65Å; K362-Y364 HydrophobicContact CB-CD2 4.26Å; K362-Y364 HydrophobicContact CB-CE2 3.52Å; K362-Y364 HydrophobicContact CD-CE2 4.46Å; K362-Y364 WeakPolarHBondContact CD-OH 3.26Å; Y364-F366 WeakPolarHBondContact O-CD2 3.15Å; Y364-Y375 HydrophobicContact CD1-CD2 4.39Å; Y364-Y375 AromaticContact CD2-CD2 3.94Å; Y364-Y375 HydrophobicContact CD2-CD2 3.94Å; Y364-Y375 HydrophobicContact CD2-CE2 4.17Å; Y364-Y375 HydrophobicContact CE2-CE2 4.34Å; Y364-Y375 AromaticContact CG-CD2 3.84Å; Y364-Y375 HydrophobicContact CG-CD2 3.84Å; Y364-Y375 HydrophobicContact CG-CE2 4.41Å; Y364-F376 VanDerWaalsContact CB-O 3.3Å; Y364-F376 WeakPolarHBondContact CB-O 3.47Å; Y364-I387 HydrophobicContact CD1-CD1 3.68Å; Y364-I387 HydrophobicContact CE1-CD1 3.63Å; Y364-I387 HydrophobicContact CG-CD1 4.5Å
365W92.5Very high78Confident23 Ų2371.4 Ų71.49%0.08735%0.347CS..EExtended strand (participates in β ladder)trans-87.4119.1171.6-179.9-103.7000109.5N345 Y347 Y375 F376 K379N345-W365 HydrophobicContact CB-CH2 4.19Å; N345-W365 HydrophobicContact CB-CZ2 3.6Å; Y347-W365 HydrophobicContact CD1-CB 4.29Å; Y347-W365 HydrophobicContact CD1-CE3 4.05Å; Y347-W365 AromaticContact CD2-CE3 3.52Å; Y347-W365 HydrophobicContact CD2-CE3 3.52Å; Y347-W365 AromaticContact CD2-CZ3 3.66Å; Y347-W365 HydrophobicContact CD2-CZ3 3.66Å; Y347-W365 HydrophobicContact CE1-CB 3.93Å; Y347-W365 AromaticContact CE1-CE3 3.98Å; Y347-W365 HydrophobicContact CE1-CE3 3.98Å; Y347-W365 AromaticContact CE2-CE3 3.45Å; Y347-W365 HydrophobicContact CE2-CE3 3.45Å; Y347-W365 VanDerWaalsContact CE2-CE3 3.45Å; Y347-W365 AromaticContact CE2-CZ3 3.71Å; Y347-W365 HydrophobicContact CE2-CZ3 3.71Å; Y347-W365 AromaticContact CG-CE3 3.82Å; Y347-W365 HydrophobicContact CG-CE3 3.82Å; Y347-W365 HydrophobicContact CG-CZ3 4.31Å; Y347-W365 AromaticContact CZ-CE3 3.69Å; W365-Y375 CarbonylContact O-C 3.48Å; W365-Y375 WeakPolarHBondContact O-CA 3.45Å; W365-F376 HydrophobicContact CB-CB 4.49Å; W365-F376 PolarHBondContact N-O 2.87Å; W365-F376 PolarHBondContact O-N 3.49Å; W365-K379 HydrophobicContact CD2-CB 3.91Å; W365-K379 HydrophobicContact CD2-CG 4.17Å; W365-K379 HydrophobicContact CE3-CB 4.22Å; W365-K379 HydrophobicContact CG-CB 4.2Å; W365-K379 HydrophobicContact CH2-CD 3.96Å; W365-K379 HydrophobicContact CH2-CG 4.34Å; W365-K379 HydrophobicContact CZ2-CD 3.94Å; W365-K379 HydrophobicContact CZ2-CG 3.9Å; W365-K379 HydrophobicContact CZ3-CD 4.33Å
366F93.4Very high79.9Confident0 Ų060.3 Ų60.30%031%0.306CS..EExtended strand (participates in β ladder)trans-103143-179-73.4-104000110.6N345 D346 L348 I350 Y364 I373 S374 Y375 L425 W436N345-F366 CarbonylContact C-O 3.59Å; N345-F366 VanDerWaalsContact CA-O 3.23Å; N345-F366 WeakPolarHBondContact CA-O 3.4Å; D346-F366 PolarHBondContact N-O 3.32Å; D346-F366 PolarHBondContact O-N 2.95Å; L348-F366 HydrophobicContact CB-CD2 3.55Å; L348-F366 HydrophobicContact CB-CE2 3.75Å; L348-F366 HydrophobicContact CB-CG 4.22Å; L348-F366 HydrophobicContact CD1-CB 4.23Å; L348-F366 HydrophobicContact CD1-CD1 4.33Å; L348-F366 HydrophobicContact CD1-CD2 4.15Å; L348-F366 HydrophobicContact CD1-CG 3.97Å; L348-F366 HydrophobicContact CG-CD2 4.05Å; L348-F366 HydrophobicContact CG-CG 4.3Å; L348-F366 WeakPolarHBondContact O-CE2 3.49Å; I350-F366 HydrophobicContact CB-CZ 3.82Å; I350-F366 HydrophobicContact CD1-CE1 4.27Å; I350-F366 HydrophobicContact CD1-CZ 4.09Å; I350-F366 HydrophobicContact CG1-CZ 4.46Å; I350-F366 HydrophobicContact CG2-CZ 4.19Å; Y364-F366 WeakPolarHBondContact O-CD2 3.15Å; F366-I373 HydrophobicContact CD1-CG2 3.44Å; F366-I373 VanDerWaalsContact CD1-CG2 3.44Å; F366-I373 HydrophobicContact CE1-CG2 4.01Å; F366-S374 CarbonylContact C-O 3.55Å; F366-S374 WeakPolarHBondContact CA-O 3.45Å; F366-Y375 HydrophobicContact CD1-CD1 4.47Å; F366-Y375 HydrophobicContact CD1-CG 4.35Å; F366-Y375 AromaticContact CE1-CD1 3.77Å; F366-Y375 HydrophobicContact CE1-CD1 3.77Å; F366-Y375 AromaticContact CE1-CG 3.77Å; F366-Y375 HydrophobicContact CE1-CG 3.77Å; F366-Y375 HydrophobicContact CE2-CG 4.49Å; F366-Y375 HydrophobicContact CZ-CD1 4.16Å; F366-Y375 HydrophobicContact CZ-CD2 4.34Å; F366-Y375 AromaticContact CZ-CG 3.8Å; F366-Y375 HydrophobicContact CZ-CG 3.8Å; F366-L425 HydrophobicContact CD1-CD2 4.41Å; F366-L425 HydrophobicContact CE1-CD2 3.68Å; F366-L425 HydrophobicContact CZ-CD2 3.98Å; F366-W436 HydrophobicContact CB-CH2 3.33Å; F366-W436 HydrophobicContact CB-CZ2 3.91Å; F366-W436 HydrophobicContact CB-CZ3 4.05Å; F366-W436 HydrophobicContact CG-CH2 4.3Å
367K91.2Very high81.9Confident58 Ų5859.7 Ų59.725%0.25230%0.296SS..EExtended strand (participates in β ladder)trans-125.6128.1168.9-65.4-169.1168.6167.70109.2N345 S374 F376 S382N345-K367 VanDerWaalsContact OD1-CA 3.31Å; N345-K367 WeakPolarHBondContact OD1-CA 3.33Å; N345-K367 WeakPolarHBondContact OD1-CB 3.47Å; N345-K367 VanDerWaalsContact OD1-CG 3.29Å; N345-K367 WeakPolarHBondContact OD1-CG 3.31Å; K367-S374 PolarHBondContact N-O 3.42Å; K367-S374 PolarHBondContact O-N 2.93Å; K367-F376 HydrophobicContact CB-CE2 4.32Å; K367-F376 HydrophobicContact CD-CE2 3.92Å; K367-F376 HydrophobicContact CG-CD2 4.47Å; K367-F376 HydrophobicContact CG-CE2 3.97Å; K367-S382 VanDerWaalsContact CE-CB 3.47Å; K367-S382 VanDerWaalsContact CE-OG 3.28Å; K367-S382 WeakPolarHBondContact CE-OG 3.49Å; K367-S382 PolarHBondContact NZ-O 3.11Å; K367-S382 PolarHBondContact NZ-OG 3.2Å
368F91Very high84.1Confident9 Ų957.3 Ų57.34%0.03928%0.283CS..EExtended strand (participates in β ladder)trans-98.5119.4173.1-156.5-69.3000108.9L344 I373 L392 W436 G439 A443 L449L344-F368 HydrophobicContact CB-CB 3.84Å; L344-F368 HydrophobicContact CD2-CB 3.66Å; L344-F368 HydrophobicContact CD2-CD2 3.76Å; L344-F368 HydrophobicContact CD2-CG 3.97Å; L344-F368 HydrophobicContact CG-CB 4.41Å; L344-F368 WeakPolarHBondContact O-CB 3.41Å; L344-F368 PolarHBondContact O-N 2.88Å; F368-I373 HydrophobicContact CD2-CD1 3.91Å; F368-I373 HydrophobicContact CD2-CG1 3.5Å; F368-I373 HydrophobicContact CE2-CD1 3.83Å; F368-I373 HydrophobicContact CE2-CG1 3.64Å; F368-I373 HydrophobicContact CG-CG1 4.29Å; F368-L392 HydrophobicContact CE2-CD1 3.82Å; F368-L392 HydrophobicContact CZ-CD1 3.9Å; F368-W436 HydrophobicContact CB-CH2 4.38Å; F368-W436 HydrophobicContact CB-CZ3 4.46Å; F368-W436 HydrophobicContact CD2-CE3 4.28Å; F368-W436 AromaticContact CD2-CZ3 3.97Å; F368-W436 HydrophobicContact CD2-CZ3 3.97Å; F368-G439 VanDerWaalsContact CZ-O 3.29Å; F368-G439 WeakPolarHBondContact CZ-O 3.37Å; F368-A443 HydrophobicContact CE1-CB 4.09Å; F368-A443 HydrophobicContact CZ-CB 3.59Å; F368-L449 HydrophobicContact CB-CD1 4.15Å; F368-L449 HydrophobicContact CD1-CD1 3.62Å; F368-L449 HydrophobicContact CD1-CD2 4.11Å; F368-L449 HydrophobicContact CD1-CG 3.83Å; F368-L449 HydrophobicContact CE1-CD1 4.3Å; F368-L449 HydrophobicContact CE1-CD2 4Å; F368-L449 HydrophobicContact CE1-CG 4.01Å; F368-L449 HydrophobicContact CG-CD1 4.06Å; F368-L449 HydrophobicContact CZ-CD2 4.47Å
369Q86.3Confident86.2Confident131 Ų13156.7 Ų56.761%0.61228%0.275SS*.EExtended strand (participates in β ladder)trans-134.3126.7-179.6-169.5173.82.700109.7T371 S372Q369-T371 PolarHBondContact O-N 3.13Å; Q369-S372 PolarHBondContact N-O 3.44Å; Q369-S372 PolarHBondContact O-N 3.01Å; Q369-S372 VanDerWaalsContact O-O 3.08Å
370D84.1Confident87.7Confident114 Ų11456.9 Ų56.961%0.6128%0.278SS*.THydrogen-bonded Turntrans54.9-99.6-175.9-55.3-43.6000113
371T86.9Confident88.4Confident31 Ų3159.3 Ų59.319%0.1928%0.276CS..THydrogen-bonded Turntrans-124.115.8178.754.30000112.2Q369 L392 A443Q369-T371 PolarHBondContact O-N 3.13Å; T371-L392 WeakPolarHBondContact O-CB 3.49Å; T371-L392 PolarHBondContact O-N 3.02Å; T371-A443 HydrophobicContact CG2-CB 4.42Å
372S89.1Confident88.4Confident14 Ų1456.2 Ų56.210%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-126.1149.5-175.9-64.50000112.5Q369 I390Q369-S372 PolarHBondContact N-O 3.44Å; Q369-S372 PolarHBondContact O-N 3.01Å; Q369-S372 VanDerWaalsContact O-O 3.08Å; S372-I390 CarbonylContact C-O 3.54Å; S372-I390 WeakPolarHBondContact CA-O 3.45Å; S372-I390 WeakPolarHBondContact CB-O 3.45Å
373I92.3Very high87.9Confident0 Ų059.3 Ų59.30%029%0.285CS..EExtended strand (participates in β ladder)trans-109.5123.6172.6-66.6179.9000109.1F366 F368 I390 L392 L412 L425 W436F366-I373 HydrophobicContact CD1-CG2 3.44Å; F366-I373 VanDerWaalsContact CD1-CG2 3.44Å; F366-I373 HydrophobicContact CE1-CG2 4.01Å; F368-I373 HydrophobicContact CD2-CD1 3.91Å; F368-I373 HydrophobicContact CD2-CG1 3.5Å; F368-I373 HydrophobicContact CE2-CD1 3.83Å; F368-I373 HydrophobicContact CE2-CG1 3.64Å; F368-I373 HydrophobicContact CG-CG1 4.29Å; I373-I390 PolarHBondContact N-O 3.33Å; I373-I390 PolarHBondContact O-N 3.44Å; I373-L392 HydrophobicContact CD1-CD1 3.62Å; I373-L392 HydrophobicContact CD1-CD2 4.37Å; I373-L392 HydrophobicContact CD1-CG 4.37Å; I373-L392 HydrophobicContact CG1-CD1 3.75Å; I373-L392 HydrophobicContact CG1-CG 4.32Å; I373-L412 HydrophobicContact CD1-CD1 4.49Å; I373-L425 HydrophobicContact CD1-CD1 3.88Å; I373-W436 HydrophobicContact CD1-CE3 4.34Å; I373-W436 HydrophobicContact CD1-CZ3 4Å; I373-W436 HydrophobicContact CG1-CZ3 4.31Å; I373-W436 HydrophobicContact CG2-CZ3 4.32Å
374S91.8Very high87.2Confident10 Ų1057.3 Ų57.37%0.0729%0.289CS..EExtended strand (participates in β ladder)trans-113.7140.8174.2-64.40000109.8F366 K367 Q388 Q389F366-S374 CarbonylContact C-O 3.55Å; F366-S374 WeakPolarHBondContact CA-O 3.45Å; K367-S374 PolarHBondContact N-O 3.42Å; K367-S374 PolarHBondContact O-N 2.93Å; S374-Q388 WeakPolarHBondContact CA-O 3.36Å; S374-Q389 WeakPolarHBondContact OG-CG 3.41Å
375Y92Very high86.7Confident10 Ų1063.7 Ų63.74%0.03932%0.321CS..EExtended strand (participates in β ladder)trans-134.2150.6177.366.8-85.2000114.2I350 R352 Y364 W365 F366 I387 Q388 I390I350-Y375 HydrophobicContact CD1-CE1 4.12Å; R352-Y375 PolarHBondContact NH1-OH 3.06Å; Y364-Y375 HydrophobicContact CD1-CD2 4.39Å; Y364-Y375 AromaticContact CD2-CD2 3.94Å; Y364-Y375 HydrophobicContact CD2-CD2 3.94Å; Y364-Y375 HydrophobicContact CD2-CE2 4.17Å; Y364-Y375 HydrophobicContact CE2-CE2 4.34Å; Y364-Y375 AromaticContact CG-CD2 3.84Å; Y364-Y375 HydrophobicContact CG-CD2 3.84Å; Y364-Y375 HydrophobicContact CG-CE2 4.41Å; W365-Y375 CarbonylContact O-C 3.48Å; W365-Y375 WeakPolarHBondContact O-CA 3.45Å; F366-Y375 HydrophobicContact CD1-CD1 4.47Å; F366-Y375 HydrophobicContact CD1-CG 4.35Å; F366-Y375 AromaticContact CE1-CD1 3.77Å; F366-Y375 HydrophobicContact CE1-CD1 3.77Å; F366-Y375 AromaticContact CE1-CG 3.77Å; F366-Y375 HydrophobicContact CE1-CG 3.77Å; F366-Y375 HydrophobicContact CE2-CG 4.49Å; F366-Y375 HydrophobicContact CZ-CD1 4.16Å; F366-Y375 HydrophobicContact CZ-CD2 4.34Å; F366-Y375 AromaticContact CZ-CG 3.8Å; F366-Y375 HydrophobicContact CZ-CG 3.8Å; Y375-I387 HydrophobicContact CD2-CB 4.01Å; Y375-I387 HydrophobicContact CD2-CD1 4.03Å; Y375-I387 HydrophobicContact CD2-CG2 4.4Å; Y375-I387 HydrophobicContact CE2-CB 3.68Å; Y375-I387 HydrophobicContact CE2-CD1 4.08Å; Y375-I387 HydrophobicContact CE2-CG1 4.48Å; Y375-I387 HydrophobicContact CE2-CG2 3.59Å; Y375-I387 WeakPolarHBondContact O-CB 3.31Å; Y375-I387 PolarHBondContact O-N 2.94Å; Y375-Q388 HydrophobicContact CE1-CB 3.62Å; Y375-Q388 PolarHBondContact N-O 2.97Å; Y375-Q388 WeakPolarHBondContact OH-CB 3.34Å; Y375-Q388 PolarHBondContact OH-OE1 3.35Å; Y375-I390 HydrophobicContact CE1-CD1 4.31Å
376F91.8Very high86.4Confident13 Ų1364.8 Ų64.86%0.05733%0.331CS..EExtended strand (participates in β ladder)trans-133.5160.9-168.9-53.3-93.8000110.6Y364 W365 K367 S378 G384 P386Y364-F376 VanDerWaalsContact CB-O 3.3Å; Y364-F376 WeakPolarHBondContact CB-O 3.47Å; W365-F376 HydrophobicContact CB-CB 4.49Å; W365-F376 PolarHBondContact N-O 2.87Å; W365-F376 PolarHBondContact O-N 3.49Å; K367-F376 HydrophobicContact CB-CE2 4.32Å; K367-F376 HydrophobicContact CD-CE2 3.92Å; K367-F376 HydrophobicContact CG-CD2 4.47Å; K367-F376 HydrophobicContact CG-CE2 3.97Å; F376-S378 VanDerWaalsContact C-N 3.33Å; F376-S378 PolarHBondContact O-N 2.68Å; F376-G384 WeakPolarHBondContact CE1-O 3.34Å; F376-P386 HydrophobicContact CD1-CB 4.26Å; F376-P386 HydrophobicContact CE1-CB 3.67Å; F376-P386 HydrophobicContact CE1-CG 4.48Å; F376-P386 HydrophobicContact CE2-CB 4.41Å; F376-P386 HydrophobicContact CZ-CB 3.75Å
377K87.1Confident86.1Confident140 Ų14068.5 Ų68.561%0.60935%0.35SS*.SBendtrans-64-39.5179-65.7-176.3-172.61600112.4E381 I387K377-E381 WeakPolarHBondContact CB-OE2 3.35Å; K377-I387 HydrophobicContact CG-CD1 3.77Å; K377-I387 HydrophobicContact CG-CG1 4.44Å
378S88.2Confident85.9Confident25 Ų2569.6 Ų69.618%0.17536%0.356CS..SBendtrans-147.4171.3178.472.30000110.9F376 E380 E381F376-S378 VanDerWaalsContact C-N 3.33Å; F376-S378 PolarHBondContact O-N 2.68Å; S378-E380 VanDerWaalsContact C-N 3.3Å; S378-E380 WeakPolarHBondContact CB-OE2 3.37Å; S378-E380 PolarHBondContact O-N 3.39Å; S378-E380 PolarHBondContact OG-OE2 3.48Å; S378-E381 PolarHBondContact O-N 2.94Å; S378-E381 PolarHBondContact OG-N 3.1Å
379K87.4Confident85.8Confident112 Ų11275 Ų7549%0.48738%0.382SS..SBendtrans-64.2-35.1176.6-176175.3179.6179.10112Y347 W365 S382Y347-K379 PolarHBondContact OH-N 3.23Å; W365-K379 HydrophobicContact CD2-CB 3.91Å; W365-K379 HydrophobicContact CD2-CG 4.17Å; W365-K379 HydrophobicContact CE3-CB 4.22Å; W365-K379 HydrophobicContact CG-CB 4.2Å; W365-K379 HydrophobicContact CH2-CD 3.96Å; W365-K379 HydrophobicContact CH2-CG 4.34Å; W365-K379 HydrophobicContact CZ2-CD 3.94Å; W365-K379 HydrophobicContact CZ2-CG 3.9Å; W365-K379 HydrophobicContact CZ3-CD 4.33Å; K379-S382 WeakPolarHBondContact O-CB 3.44Å; K379-S382 PolarHBondContact O-N 2.78Å; K379-S382 PolarHBondContact O-OG 3.09Å
380E84.2Confident85.9Confident137 Ų13769.2 Ų69.264%0.6436%0.355SS*.G310 helixtrans-69.6-35.2-178.8-57.869.7-143.900111.6S378 S382S378-E380 VanDerWaalsContact C-N 3.3Å; S378-E380 WeakPolarHBondContact CB-OE2 3.37Å; S378-E380 PolarHBondContact O-N 3.39Å; S378-E380 PolarHBondContact OG-OE2 3.48Å; E380-S382 PolarHBondContact O-N 3.44Å
381E81.4Confident86.2Confident101 Ų10168 Ų6847%0.47235%0.348SS..G310 helixtrans-78.1-1.3175.6-69.6-177.1-153.600113.1K377 S378 I383 G384K377-E381 WeakPolarHBondContact CB-OE2 3.35Å; S378-E381 PolarHBondContact O-N 2.94Å; S378-E381 PolarHBondContact OG-N 3.1Å; E381-I383 PolarHBondContact O-N 3.32Å; E381-I383 VanDerWaalsContact O-N 3.09Å; E381-G384 PolarHBondContact O-N 3.24Å
382S78.1Confident86.2Confident15 Ų1566.5 Ų66.511%0.10534%0.339CS..G310 helixtrans-74.11.8-176.479.50000115.5K367 K379 E380K367-S382 VanDerWaalsContact CE-CB 3.47Å; K367-S382 VanDerWaalsContact CE-OG 3.28Å; K367-S382 WeakPolarHBondContact CE-OG 3.49Å; K367-S382 PolarHBondContact NZ-O 3.11Å; K367-S382 PolarHBondContact NZ-OG 3.2Å; K379-S382 WeakPolarHBondContact O-CB 3.44Å; K379-S382 PolarHBondContact O-N 2.78Å; K379-S382 PolarHBondContact O-OG 3.09Å; E380-S382 PolarHBondContact O-N 3.44Å
383I74.1Confident86Confident160 Ų16072.7 Ų72.782%0.82136%0.364SS*.G310 helixtrans-91.3-20.2172.8-54.4170.8000110.5E381E381-I383 PolarHBondContact O-N 3.32Å; E381-I383 VanDerWaalsContact O-N 3.09Å
384G75.4Confident85.4Confident50 Ų5075 Ų7552%0.51539%0.388SS..SBendtrans-89.4-163.8179.200000113.9F376 E381F376-G384 WeakPolarHBondContact CE1-O 3.34Å; E381-G384 PolarHBondContact O-N 3.24Å
385E82.2Confident85.2Confident185 Ų18575 Ų7586%0.86439%0.388SS*.  trans-69.8134.4176.3-70.5-171.5159.900111.7
386P87.5Confident84.8Confident46 Ų4679.9 Ų79.930%0.29941%0.411SS..  trans-66.3146.4175.928-33.4000110.8F376 Q388F376-P386 HydrophobicContact CD1-CB 4.26Å; F376-P386 HydrophobicContact CE1-CB 3.67Å; F376-P386 HydrophobicContact CE1-CG 4.48Å; F376-P386 HydrophobicContact CE2-CB 4.41Å; F376-P386 HydrophobicContact CZ-CB 3.75Å; P386-Q388 PolarHBondContact O-N 3.09Å
387I86.6Confident84.7Confident78 Ų7880.5 Ų80.540%0.442%0.416SS..SBendtrans-55.5-39.4172-62172.4000109.3Y364 Y375 K377Y364-I387 HydrophobicContact CD1-CD1 3.68Å; Y364-I387 HydrophobicContact CE1-CD1 3.63Å; Y364-I387 HydrophobicContact CG-CD1 4.5Å; Y375-I387 HydrophobicContact CD2-CB 4.01Å; Y375-I387 HydrophobicContact CD2-CD1 4.03Å; Y375-I387 HydrophobicContact CD2-CG2 4.4Å; Y375-I387 HydrophobicContact CE2-CB 3.68Å; Y375-I387 HydrophobicContact CE2-CD1 4.08Å; Y375-I387 HydrophobicContact CE2-CG1 4.48Å; Y375-I387 HydrophobicContact CE2-CG2 3.59Å; Y375-I387 WeakPolarHBondContact O-CB 3.31Å; Y375-I387 PolarHBondContact O-N 2.94Å; K377-I387 HydrophobicContact CG-CD1 3.77Å; K377-I387 HydrophobicContact CG-CG1 4.44Å
388Q86.8Confident84.5Confident80 Ų8075.1 Ų75.137%0.37440%0.397SS..EExtended strand (participates in β ladder)trans-162.8149.6170.2-170.6176.39.800110.4S374 Y375 P386S374-Q388 WeakPolarHBondContact CA-O 3.36Å; Y375-Q388 HydrophobicContact CE1-CB 3.62Å; Y375-Q388 PolarHBondContact N-O 2.97Å; Y375-Q388 WeakPolarHBondContact OH-CB 3.34Å; Y375-Q388 PolarHBondContact OH-OE1 3.35Å; P386-Q388 PolarHBondContact O-N 3.09Å
389Q89.5Confident84.4Confident124 Ų12477.1 Ų77.158%0.57941%0.41SS*.EExtended strand (participates in β ladder)trans-108.2130.7167.9-176.71733.700109.4S374S374-Q389 WeakPolarHBondContact OG-CG 3.41Å
390I88.4Confident84.1Confident9 Ų974.5 Ų74.55%0.04640%0.401CS..EExtended strand (participates in β ladder)trans-113.6115.1-178.7-55.6173.6000107.8R352 S372 I373 Y375 L392 I414R352-I390 VanDerWaalsContact NH2-CD1 3.34Å; S372-I390 CarbonylContact C-O 3.54Å; S372-I390 WeakPolarHBondContact CA-O 3.45Å; S372-I390 WeakPolarHBondContact CB-O 3.45Å; I373-I390 PolarHBondContact N-O 3.33Å; I373-I390 PolarHBondContact O-N 3.44Å; Y375-I390 HydrophobicContact CE1-CD1 4.31Å; I390-L392 HydrophobicContact CG2-CD2 3.9Å; I390-I414 HydrophobicContact CG2-CD1 3.34Å; I390-I414 HydrophobicContact CG2-CG1 3.84Å; I390-I414 HydrophobicContact CG2-CG2 4.43Å
391N88.6Confident84Confident88 Ų8869.4 Ų69.447%0.47138%0.379SS..EExtended strand (participates in β ladder)trans-80.5123.5171.3-171.6-11.2000109.3K393N391-K393 WeakPolarHBondContact OD1-CB 3.47Å; N391-K393 PolarHBondContact OD1-N 2.91Å
392L87.2Confident83.8Confident0 Ų066.9 Ų66.90%037%0.369CS..  trans-92.5-7.1-178.3-60.3-178.5000113.1F368 T371 I373 I390 G394 C395 L412 C440 A443 S444F368-L392 HydrophobicContact CE2-CD1 3.82Å; F368-L392 HydrophobicContact CZ-CD1 3.9Å; T371-L392 WeakPolarHBondContact O-CB 3.49Å; T371-L392 PolarHBondContact O-N 3.02Å; I373-L392 HydrophobicContact CD1-CD1 3.62Å; I373-L392 HydrophobicContact CD1-CD2 4.37Å; I373-L392 HydrophobicContact CD1-CG 4.37Å; I373-L392 HydrophobicContact CG1-CD1 3.75Å; I373-L392 HydrophobicContact CG1-CG 4.32Å; I390-L392 HydrophobicContact CG2-CD2 3.9Å; L392-G394 PolarHBondContact O-N 3.3Å; L392-G394 VanDerWaalsContact O-N 3.12Å; L392-C395 VanDerWaalsContact O-CB 3.29Å; L392-C395 WeakPolarHBondContact O-CB 3.29Å; L392-C395 PolarHBondContact O-N 2.98Å; L392-C395 PolarHBondContact O-SG 3.5Å; L392-L412 HydrophobicContact CD2-CD1 3.91Å; L392-L412 HydrophobicContact CD2-CD2 4.46Å; L392-C440 HydrophobicContact CD1-CB 4.33Å; L392-A443 HydrophobicContact CB-CB 3.84Å; L392-A443 HydrophobicContact CD1-CB 3.89Å; L392-A443 HydrophobicContact CG-CB 4.49Å; L392-S444 VanDerWaalsContact O-CA 3.31Å; L392-S444 WeakPolarHBondContact O-CA 3.39Å
393K85.8Confident83.8Confident144 Ų14466.7 Ų66.763%0.62637%0.367SS*.THydrogen-bonded Turntrans-59.6120.7-178.1-169.6176.1-178.6177.50110.9N391 C395N391-K393 WeakPolarHBondContact OD1-CB 3.47Å; N391-K393 PolarHBondContact OD1-N 2.91Å; K393-C395 VanDerWaalsContact C-N 3.34Å
394G79.7Confident83.6Confident49 Ų4963.3 Ų63.351%0.50536%0.363SS..THydrogen-bonded Turntrans76.813.8-17700000115.1L392 P415 S444L392-G394 PolarHBondContact O-N 3.3Å; L392-G394 VanDerWaalsContact O-N 3.12Å; G394-P415 WeakPolarHBondContact O-CG 3.45Å; G394-S444 PolarHBondContact N-O 3.05Å
395C86.4Confident83.4Confident8 Ų863.9 Ų63.95%0.05436%0.363CS..  trans-78.2152.2172.278.20000112L392 K393 V397 L413 I414 S444L392-C395 VanDerWaalsContact O-CB 3.29Å; L392-C395 WeakPolarHBondContact O-CB 3.29Å; L392-C395 PolarHBondContact O-N 2.98Å; L392-C395 PolarHBondContact O-SG 3.5Å; K393-C395 VanDerWaalsContact C-N 3.34Å; C395-V397 WeakPolarHBondContact SG-CG2 3.47Å; C395-L413 CarbonylContact C-O 3.56Å; C395-L413 WeakPolarHBondContact CA-O 3.42Å; C395-L413 VanDerWaalsContact CB-O 3.27Å; C395-L413 WeakPolarHBondContact CB-O 3.44Å; C395-I414 HydrophobicContact CB-CG1 4.22Å; C395-S444 VanDerWaalsContact O-CB 3.27Å; C395-S444 WeakPolarHBondContact O-CB 3.32Å
396E85.5Confident83.2Confident113 Ų11360 Ų6053%0.52835%0.345SS..EExtended strand (participates in β ladder)trans-90.2128.8167-57.6176.917800109.3L413E396-L413 HydrophobicContact CB-CB 4.11Å; E396-L413 HydrophobicContact CB-CD1 4.16Å; E396-L413 PolarHBondContact N-O 3.46Å; E396-L413 PolarHBondContact O-N 2.86Å; E396-L413 WeakPolarHBondContact OE2-CD1 3.15Å
397V88.1Confident83Confident26 Ų2660.9 Ų60.916%0.15834%0.344CS..EExtended strand (participates in β ladder)trans-115.2110.7-177.2-173.80000109C395 I410 R411 L412 M437 C440 R441C395-V397 WeakPolarHBondContact SG-CG2 3.47Å; V397-I410 HydrophobicContact CG1-CG2 3.85Å; V397-R411 WeakPolarHBondContact CA-O 3.06Å; V397-L412 HydrophobicContact CB-CD2 4.33Å; V397-L412 HydrophobicContact CG1-CD2 3.98Å; V397-L412 HydrophobicContact CG2-CD2 3.83Å; V397-M437 HydrophobicContact CG1-CE 3.76Å; V397-M437 HydrophobicContact CG1-SD 3.73Å; V397-C440 HydrophobicContact CG1-CB 3.73Å; V397-C440 HydrophobicContact CG2-CB 4.08Å; V397-R441 HydrophobicContact CB-CG 4.37Å; V397-R441 HydrophobicContact CG1-CG 4.18Å
398A83.8Confident83.1Confident27 Ų2757.1 Ų57.122%0.22333%0.325CS..EExtended strand (participates in β ladder)trans-116.5137.6-179.200000111.7R411A398-R411 HydrophobicContact CB-CB 4.35Å; A398-R411 PolarHBondContact N-O 3.38Å; A398-R411 PolarHBondContact O-N 3.18Å
399P85.3Confident83.2Confident68 Ų6853.5 Ų53.544%0.44231%0.308SS..EExtended strand (participates in β ladder)trans-76.9139.3174.832.8-34000111.1Y433 M437P399-Y433 WeakPolarHBondContact CB-OH 3.2Å; P399-M437 HydrophobicContact CB-CE 3.94Å; P399-M437 HydrophobicContact CG-CE 4.3Å
400D80.8Confident83.3Confident56 Ų5647.6 Ų47.630%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-131.582.7166.1173.98000108.1K407 L409D400-K407 IonicContact OD1-NZ 3.15Å; D400-K407 PolarHBondContact OD1-NZ 2.84Å; D400-K407 IonicContact OD2-NZ 3.74Å; D400-K407 PolarHBondContact OD2-NZ 2.95Å; D400-L409 CarbonylContact C-O 3.51Å; D400-L409 HydrophobicContact CB-CB 3.91Å; D400-L409 PolarHBondContact N-O 3.45Å; D400-L409 WeakPolarHBondContact O-CA 3.31Å; D400-L409 VanDerWaalsContact O-CB 3.27Å; D400-L409 WeakPolarHBondContact O-CB 3.39Å; D400-L409 PolarHBondContact O-N 2.86Å; D400-L409 WeakPolarHBondContact OD2-CD1 3.42Å
401V82.4Confident83.3Confident31 Ų3151 Ų5119%0.18829%0.293CS..EExtended strand (participates in β ladder)trans-119133.6-172.4-1780000110.9V403 K407 F408 Y433 L465V401-V403 HydrophobicContact CG1-CG2 3.92Å; V401-K407 CarbonylContact C-O 3.55Å; V401-K407 VanDerWaalsContact CA-O 3.29Å; V401-K407 WeakPolarHBondContact CA-O 3.43Å; V401-K407 WeakPolarHBondContact CG1-O 3.45Å; V401-F408 HydrophobicContact CG1-CD1 3.68Å; V401-F408 HydrophobicContact CG1-CE1 3.98Å; V401-Y433 HydrophobicContact CG2-CD1 4.24Å; V401-Y433 HydrophobicContact CG2-CD2 4.17Å; V401-Y433 HydrophobicContact CG2-CE1 3.55Å; V401-Y433 HydrophobicContact CG2-CE2 3.45Å; V401-Y433 VanDerWaalsContact CG2-CE2 3.45Å; V401-Y433 WeakPolarHBondContact CG2-OH 3.29Å; V401-L465 HydrophobicContact CB-CD2 4.5Å; V401-L465 HydrophobicContact CG1-CD2 3.7Å
402N77.8Confident83.2Confident47 Ų4746.9 Ų46.925%0.25127%0.271SS..EExtended strand (participates in β ladder)trans-128.6104.5163.2-177.4-32000108.3A404 A405 Q406 K407N402-A404 PolarHBondContact O-N 3.38Å; N402-A404 PolarHBondContact OD1-N 2.66Å; N402-A404 VanDerWaalsContact OD1-N 3.14Å; N402-A405 HydrophobicContact CB-CB 4.11Å; N402-A405 PolarHBondContact O-N 3.48Å; N402-A405 PolarHBondContact OD1-N 3.24Å; N402-Q406 PolarHBondContact O-N 3.12Å; N402-K407 HydrophobicContact CB-CB 4.14Å; N402-K407 PolarHBondContact N-O 2.84Å; N402-K407 PolarHBondContact O-N 2.82Å
403V77.9Confident83.1Confident11 Ų1148 Ų487%0.06728%0.277CS..THydrogen-bonded Turntrans-65.4-39.1-175.5-1750000111.7V401 A405 Q406 E430 L465 Q468 K469V401-V403 HydrophobicContact CG1-CG2 3.92Å; V403-A405 VanDerWaalsContact C-N 3.34Å; V403-A405 PolarHBondContact O-N 3.3Å; V403-Q406 PolarHBondContact O-N 3.44Å; V403-Q406 PolarHBondContact O-NE2 3.05Å; V403-Q406 VanDerWaalsContact O-NE2 3.09Å; V403-E430 WeakPolarHBondContact CG1-OE1 3.32Å; V403-L465 HydrophobicContact CG2-CD2 3.87Å; V403-Q468 HydrophobicContact CG2-CB 4.41Å; V403-K469 HydrophobicContact CG1-CD 4.09Å; V403-K469 HydrophobicContact CG1-CG 3.61Å
404A70.6Confident83.1Confident89 Ų8942 Ų4274%0.73625%0.251SS*.THydrogen-bonded Turntrans-66.1-36.1178.600000112.3N402 Q406N402-A404 PolarHBondContact O-N 3.38Å; N402-A404 PolarHBondContact OD1-N 2.66Å; N402-A404 VanDerWaalsContact OD1-N 3.14Å; A404-Q406 VanDerWaalsContact C-N 3.35Å
405A70.3Confident83Confident63 Ų6343 Ų4352%0.52125%0.248SC..THydrogen-bonded Turntrans-89.46.6177.900000114N402 V403 K407N402-A405 HydrophobicContact CB-CB 4.11Å; N402-A405 PolarHBondContact O-N 3.48Å; N402-A405 PolarHBondContact OD1-N 3.24Å; V403-A405 VanDerWaalsContact C-N 3.34Å; V403-A405 PolarHBondContact O-N 3.3Å; A405-K407 PolarHBondContact O-N 2.84Å
406Q77.8Confident82.5Confident103 Ų10344 Ų4448%0.48126%0.258SS..THydrogen-bonded Turntrans50.538.2-174.4-64.4-69.5-66.900112.6N402 V403 A404 F408N402-Q406 PolarHBondContact O-N 3.12Å; V403-Q406 PolarHBondContact O-N 3.44Å; V403-Q406 PolarHBondContact O-NE2 3.05Å; V403-Q406 VanDerWaalsContact O-NE2 3.09Å; A404-Q406 VanDerWaalsContact C-N 3.35Å; Q406-F408 HydrophobicContact CB-CE2 4.32Å
407K83.6Confident81.8Confident64 Ų6445.4 Ų45.428%0.27828%0.277SS..EExtended strand (participates in β ladder)trans-103112.1179.3-175.7-170.7175.8-155.10108.7D400 V401 N402 A405 L409D400-K407 IonicContact OD1-NZ 3.15Å; D400-K407 PolarHBondContact OD1-NZ 2.84Å; D400-K407 IonicContact OD2-NZ 3.74Å; D400-K407 PolarHBondContact OD2-NZ 2.95Å; V401-K407 CarbonylContact C-O 3.55Å; V401-K407 VanDerWaalsContact CA-O 3.29Å; V401-K407 WeakPolarHBondContact CA-O 3.43Å; V401-K407 WeakPolarHBondContact CG1-O 3.45Å; N402-K407 HydrophobicContact CB-CB 4.14Å; N402-K407 PolarHBondContact N-O 2.84Å; N402-K407 PolarHBondContact O-N 2.82Å; A405-K407 PolarHBondContact O-N 2.84Å; K407-L409 HydrophobicContact CD-CD1 4.41Å; K407-L409 HydrophobicContact CG-CD1 4.39Å; K407-L409 HydrophobicContact CG-CG 4.26Å
408F89.8Confident81Confident0 Ų053.4 Ų53.40%031%0.312CS..EExtended strand (participates in β ladder)trans-122.588.4178.8-53.8-71.5000110.1V401 Q406 R426 C427 E430 Y433V401-F408 HydrophobicContact CG1-CD1 3.68Å; V401-F408 HydrophobicContact CG1-CE1 3.98Å; Q406-F408 HydrophobicContact CB-CE2 4.32Å; F408-R426 WeakPolarHBondContact O-CA 3.49Å; F408-C427 HydrophobicContact CB-CB 4.04Å; F408-C427 PolarHBondContact O-N 3.45Å; F408-E430 HydrophobicContact CD1-CG 4.3Å; F408-E430 HydrophobicContact CE1-CB 4.33Å; F408-E430 HydrophobicContact CE1-CG 3.34Å; F408-E430 HydrophobicContact CE2-CG 4.22Å; F408-E430 HydrophobicContact CZ-CB 4.4Å; F408-E430 HydrophobicContact CZ-CG 3.3Å; F408-Y433 HydrophobicContact CB-CD2 3.81Å; F408-Y433 HydrophobicContact CB-CG 3.87Å; F408-Y433 HydrophobicContact CD1-CG 4.25Å; F408-Y433 HydrophobicContact CG-CG 4.42Å
409L87.7Confident80.3Confident4 Ų454 Ų542%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-109.1142.6179.2-66.1176.4000112.2Y361 D400 K407 L425 R426 Y433Y361-L409 HydrophobicContact CE1-CD2 3.72Å; Y361-L409 VanDerWaalsContact OH-CD1 3.28Å; Y361-L409 WeakPolarHBondContact OH-CD1 3.41Å; Y361-L409 WeakPolarHBondContact OH-CD2 3.05Å; D400-L409 CarbonylContact C-O 3.51Å; D400-L409 HydrophobicContact CB-CB 3.91Å; D400-L409 PolarHBondContact N-O 3.45Å; D400-L409 WeakPolarHBondContact O-CA 3.31Å; D400-L409 VanDerWaalsContact O-CB 3.27Å; D400-L409 WeakPolarHBondContact O-CB 3.39Å; D400-L409 PolarHBondContact O-N 2.86Å; D400-L409 WeakPolarHBondContact OD2-CD1 3.42Å; K407-L409 HydrophobicContact CD-CD1 4.41Å; K407-L409 HydrophobicContact CG-CD1 4.39Å; K407-L409 HydrophobicContact CG-CG 4.26Å; L409-L425 CarbonylContact C-O 3.58Å; L409-L425 VanDerWaalsContact CA-O 3.28Å; L409-L425 WeakPolarHBondContact CA-O 3.27Å; L409-R426 HydrophobicContact CD2-CB 3.37Å; L409-R426 HydrophobicContact CD2-CG 3.6Å; L409-Y433 WeakPolarHBondContact O-CE2 3.27Å
410I90.9Very high79.8Confident0 Ų055.6 Ų55.60%032%0.324CS..EExtended strand (participates in β ladder)trans-114.4120.7170.4-55.3167.6000107.3V397 L412 Y424 L425 Y433 W436 M437 C440V397-I410 HydrophobicContact CG1-CG2 3.85Å; I410-L412 HydrophobicContact CG2-CD2 3.83Å; I410-L412 HydrophobicContact CG2-CG 4.24Å; I410-Y424 WeakPolarHBondContact O-CA 3.33Å; I410-L425 HydrophobicContact CB-CB 4.33Å; I410-L425 PolarHBondContact N-O 3.42Å; I410-L425 PolarHBondContact O-N 2.86Å; I410-Y433 HydrophobicContact CD1-CD2 4.31Å; I410-Y433 HydrophobicContact CD1-CE2 4.38Å; I410-Y433 HydrophobicContact CG1-CD2 3.86Å; I410-Y433 HydrophobicContact CG1-CE2 3.56Å; I410-W436 HydrophobicContact CD1-CB 3.67Å; I410-M437 HydrophobicContact CB-SD 4.41Å; I410-M437 HydrophobicContact CD1-CB 4.06Å; I410-M437 HydrophobicContact CG1-CB 4.3Å; I410-M437 HydrophobicContact CG1-SD 3.98Å; I410-M437 HydrophobicContact CG2-SD 3.82Å; I410-C440 HydrophobicContact CG2-CB 4.48Å
411R88.8Confident79.7Confident81 Ų8157.1 Ų57.131%0.30633%0.332SS..EExtended strand (participates in β ladder)trans-96123.5175.3-171.2176.982.2115-3.2109.5V397 A398 E422 Y424V397-R411 WeakPolarHBondContact CA-O 3.06Å; A398-R411 HydrophobicContact CB-CB 4.35Å; A398-R411 PolarHBondContact N-O 3.38Å; A398-R411 PolarHBondContact O-N 3.18Å; R411-E422 WeakPolarHBondContact CD-OE1 3.15Å; R411-E422 HydrophobicContact CG-CG 4.4Å; R411-E422 IonicContact CZ-OE1 3.21Å; R411-E422 IonicContact NE-OE1 2.71Å; R411-E422 IonicContact NH1-OE1 3.54Å; R411-E422 PolarHBondContact NH1-OE1 3.47Å; R411-Y424 HydrophobicContact CB-CD1 4.21Å; R411-Y424 HydrophobicContact CB-CE1 4.12Å; R411-Y424 HydrophobicContact CG-CD1 4.15Å; R411-Y424 HydrophobicContact CG-CE1 3.72Å
412L88.1Confident79.8Confident0 Ų058.3 Ų58.30%034%0.335CS..EExtended strand (participates in β ladder)trans-115.5121.1-179.5-57.8175.7000109.5I373 L392 V397 I410 I414 E422 V423 L425 C440I373-L412 HydrophobicContact CD1-CD1 4.49Å; L392-L412 HydrophobicContact CD2-CD1 3.91Å; L392-L412 HydrophobicContact CD2-CD2 4.46Å; V397-L412 HydrophobicContact CB-CD2 4.33Å; V397-L412 HydrophobicContact CG1-CD2 3.98Å; V397-L412 HydrophobicContact CG2-CD2 3.83Å; I410-L412 HydrophobicContact CG2-CD2 3.83Å; I410-L412 HydrophobicContact CG2-CG 4.24Å; L412-I414 HydrophobicContact CB-CD1 4.18Å; L412-I414 HydrophobicContact CB-CG1 4.38Å; L412-E422 WeakPolarHBondContact O-CA 3.37Å; L412-V423 HydrophobicContact CB-CB 4.36Å; L412-V423 PolarHBondContact N-O 3.16Å; L412-V423 PolarHBondContact O-N 3.4Å; L412-L425 HydrophobicContact CD1-CD1 3.66Å; L412-L425 HydrophobicContact CD1-CG 4.08Å; L412-C440 HydrophobicContact CD2-CB 4.03Å
413L84Confident80.3Confident24 Ų2456.2 Ų56.213%0.12632%0.324CS..EExtended strand (participates in β ladder)trans-105.3102.6171-71.7157.4000108.6C395 E396 M420 E422C395-L413 CarbonylContact C-O 3.56Å; C395-L413 WeakPolarHBondContact CA-O 3.42Å; C395-L413 VanDerWaalsContact CB-O 3.27Å; C395-L413 WeakPolarHBondContact CB-O 3.44Å; E396-L413 HydrophobicContact CB-CB 4.11Å; E396-L413 HydrophobicContact CB-CD1 4.16Å; E396-L413 PolarHBondContact N-O 3.46Å; E396-L413 PolarHBondContact O-N 2.86Å; E396-L413 WeakPolarHBondContact OE2-CD1 3.15Å; L413-M420 HydrophobicContact CB-CE 4.49Å; L413-M420 HydrophobicContact CD2-CB 4.46Å; L413-E422 HydrophobicContact CD2-CB 4.11Å; L413-E422 HydrophobicContact CD2-CG 4.14Å
414I85.1Confident80.8Confident19 Ų1957.9 Ų57.910%0.09733%0.33CS..EExtended strand (participates in β ladder)trans-99.8121.5-172.8-59.9135000109.4I390 C395 L412 A416 N421 V423I390-I414 HydrophobicContact CG2-CD1 3.34Å; I390-I414 HydrophobicContact CG2-CG1 3.84Å; I390-I414 HydrophobicContact CG2-CG2 4.43Å; C395-I414 HydrophobicContact CB-CG1 4.22Å; L412-I414 HydrophobicContact CB-CD1 4.18Å; L412-I414 HydrophobicContact CB-CG1 4.38Å; I414-A416 PolarHBondContact O-N 2.94Å; I414-N421 HydrophobicContact CB-CB 4.47Å; I414-N421 PolarHBondContact N-O 3.01Å; I414-N421 PolarHBondContact O-N 3.43Å; I414-V423 HydrophobicContact CD1-CB 4.16Å; I414-V423 HydrophobicContact CD1-CG2 3.66Å
415P78.1Confident81.8Confident68 Ų6853.6 Ų53.644%0.44229%0.294SS..EExtended strand (participates in β ladder)trans-60.5126.3174.7-22.432.4000111.7G394 M420G394-P415 WeakPolarHBondContact O-CG 3.45Å; P415-M420 HydrophobicContact CB-SD 4.09Å; P415-M420 HydrophobicContact CG-CE 4.37Å; P415-M420 HydrophobicContact CG-SD 3.95Å
416A75.6Confident82.8Confident30 Ų3055 Ų5525%0.24829%0.286CS..EExtended strand (participates in β ladder)trans-133.8160.6174.200000111.3I414 E418 G419 N421I414-A416 PolarHBondContact O-N 2.94Å; A416-E418 PolarHBondContact O-N 3.43Å; A416-E418 VanDerWaalsContact O-N 3.09Å; A416-G419 CarbonylContact C-O 3.58Å; A416-G419 WeakPolarHBondContact CA-O 3.47Å; A416-G419 WeakPolarHBondContact CB-O 3.41Å; A416-G419 PolarHBondContact N-O 2.98Å; A416-G419 PolarHBondContact O-N 3.34Å; A416-N421 VanDerWaalsContact CB-ND2 3.27Å; A416-N421 WeakPolarHBondContact CB-ND2 3.49Å
417P71.3Confident83.4Confident143 Ų14350.2 Ų50.293%0.92926%0.264SS*.THydrogen-bonded Turntrans-58.7-24.4-178.3-24.233.8000114.4
418E70.7Confident83.6Confident194 Ų19452.3 Ų52.391%0.90728%0.275SS*.THydrogen-bonded Turntrans-95.12.6-179.6-60.6178.6-174.700113.4A416A416-E418 PolarHBondContact O-N 3.43Å; A416-E418 VanDerWaalsContact O-N 3.09Å
419G70.3Confident83.5Confident39 Ų3955.6 Ų55.640%0.40229%0.292SS..EExtended strand (participates in β ladder)trans124.4-174.4-174.400000113A416 N421A416-G419 CarbonylContact C-O 3.58Å; A416-G419 WeakPolarHBondContact CA-O 3.47Å; A416-G419 WeakPolarHBondContact CB-O 3.41Å; A416-G419 PolarHBondContact N-O 2.98Å; A416-G419 PolarHBondContact O-N 3.34Å; G419-N421 PolarHBondContact O-N 3.26Å
420M74.3Confident83.5Confident101 Ų10157.6 Ų57.650%0.49830%0.302SS..EExtended strand (participates in β ladder)trans-72.3125.5174.9-65.8-64.6-12300110.4L413 P415L413-M420 HydrophobicContact CB-CE 4.49Å; L413-M420 HydrophobicContact CD2-CB 4.46Å; P415-M420 HydrophobicContact CB-SD 4.09Å; P415-M420 HydrophobicContact CG-CE 4.37Å; P415-M420 HydrophobicContact CG-SD 3.95Å
421N79.4Confident83.4Confident89 Ų8963.1 Ų63.148%0.47633%0.328SS..EExtended strand (participates in β ladder)trans-92.1117.8172.8-88.2-37.1000110.3I414 A416 G419I414-N421 HydrophobicContact CB-CB 4.47Å; I414-N421 PolarHBondContact N-O 3.01Å; I414-N421 PolarHBondContact O-N 3.43Å; A416-N421 VanDerWaalsContact CB-ND2 3.27Å; A416-N421 WeakPolarHBondContact CB-ND2 3.49Å; G419-N421 PolarHBondContact O-N 3.26Å
422E84.6Confident83.5Confident56 Ų5659.9 Ų59.926%0.26232%0.316SS..EExtended strand (participates in β ladder)trans-90.9131.5178.6-169169.8-139.800111.8P353 R411 L412 L413 Y424P353-E422 WeakPolarHBondContact CD-O 3.23Å; P353-E422 HydrophobicContact CG-CB 4.41Å; P353-E422 HydrophobicContact CG-CG 4.38Å; R411-E422 WeakPolarHBondContact CD-OE1 3.15Å; R411-E422 HydrophobicContact CG-CG 4.4Å; R411-E422 IonicContact CZ-OE1 3.21Å; R411-E422 IonicContact NE-OE1 2.71Å; R411-E422 IonicContact NH1-OE1 3.54Å; R411-E422 PolarHBondContact NH1-OE1 3.47Å; L412-E422 WeakPolarHBondContact O-CA 3.37Å; L413-E422 HydrophobicContact CD2-CB 4.11Å; L413-E422 HydrophobicContact CD2-CG 4.14Å; E422-Y424 HydrophobicContact CG-CD2 4.44Å; E422-Y424 HydrophobicContact CG-CE2 3.75Å; E422-Y424 PolarHBondContact OE1-OH 3.02Å; E422-Y424 VanDerWaalsContact OE1-OH 3.12Å
423V87.6Confident83.7Confident2 Ų260.2 Ų60.21%0.01232%0.317CS..EExtended strand (participates in β ladder)trans-138.2134.5-179.7-177.20000109.7I350 R352 L412 I414 L425I350-V423 HydrophobicContact CD1-CG1 3.58Å; I350-V423 HydrophobicContact CG1-CG1 3.62Å; R352-V423 HydrophobicContact CG-CG1 4.33Å; R352-V423 HydrophobicContact CG-CG2 4.08Å; R352-V423 VanDerWaalsContact NE-CG2 3.34Å; L412-V423 HydrophobicContact CB-CB 4.36Å; L412-V423 PolarHBondContact N-O 3.16Å; L412-V423 PolarHBondContact O-N 3.4Å; I414-V423 HydrophobicContact CD1-CB 4.16Å; I414-V423 HydrophobicContact CD1-CG2 3.66Å; V423-L425 HydrophobicContact CG1-CD2 4.49Å
424Y89.4Confident84Confident46 Ų4659 Ų5918%0.1831%0.311CS..EExtended strand (participates in β ladder)trans-110.5127174.7-63.5-97.5000110I350 F351 P353 I410 R411 E422I350-Y424 CarbonylContact C-O 3.48Å; I350-Y424 VanDerWaalsContact CA-O 3.32Å; I350-Y424 WeakPolarHBondContact CA-O 3.27Å; F351-Y424 AromaticContact CD1-CD2 3.68Å; F351-Y424 HydrophobicContact CD1-CD2 3.68Å; F351-Y424 HydrophobicContact CD1-CE2 4.27Å; F351-Y424 HydrophobicContact CD1-CG 4.27Å; F351-Y424 HydrophobicContact CE1-CD2 4.3Å; F351-Y424 HydrophobicContact CE1-CE2 4.47Å; F351-Y424 PolarHBondContact N-O 2.57Å; F351-Y424 PolarHBondContact O-N 3.47Å; P353-Y424 HydrophobicContact CG-CD2 4.21Å; P353-Y424 HydrophobicContact CG-CE2 3.67Å; I410-Y424 WeakPolarHBondContact O-CA 3.33Å; R411-Y424 HydrophobicContact CB-CD1 4.21Å; R411-Y424 HydrophobicContact CB-CE1 4.12Å; R411-Y424 HydrophobicContact CG-CD1 4.15Å; R411-Y424 HydrophobicContact CG-CE1 3.72Å; E422-Y424 HydrophobicContact CG-CD2 4.44Å; E422-Y424 HydrophobicContact CG-CE2 3.75Å; E422-Y424 PolarHBondContact OE1-OH 3.02Å; E422-Y424 VanDerWaalsContact OE1-OH 3.12Å
425L90.1Very high84.3Confident0 Ų060.9 Ų60.90%032%0.319CS..EExtended strand (participates in β ladder)trans-105.4131.4169.9-59177.4000109.2L348 K349 I350 F366 I373 L409 I410 L412 V423L348-L425 HydrophobicContact CD1-CD1 4.48Å; K349-L425 CarbonylContact O-C 3.54Å; I350-L425 HydrophobicContact CB-CD2 4.24Å; I350-L425 HydrophobicContact CD1-CD2 4.16Å; I350-L425 HydrophobicContact CG1-CD2 4Å; F366-L425 HydrophobicContact CD1-CD2 4.41Å; F366-L425 HydrophobicContact CE1-CD2 3.68Å; F366-L425 HydrophobicContact CZ-CD2 3.98Å; I373-L425 HydrophobicContact CD1-CD1 3.88Å; L409-L425 CarbonylContact C-O 3.58Å; L409-L425 VanDerWaalsContact CA-O 3.28Å; L409-L425 WeakPolarHBondContact CA-O 3.27Å; I410-L425 HydrophobicContact CB-CB 4.33Å; I410-L425 PolarHBondContact N-O 3.42Å; I410-L425 PolarHBondContact O-N 2.86Å; L412-L425 HydrophobicContact CD1-CD1 3.66Å; L412-L425 HydrophobicContact CD1-CG 4.08Å; V423-L425 HydrophobicContact CG1-CD2 4.49Å
426R91.1Very high85Confident91 Ų9157.7 Ų57.734%0.34330%0.298SS..EExtended strand (participates in β ladder)trans-110.4121.5175.6-169.1175174.2170.71.3110.4K349 Y361 F408 L409K349-R426 HydrophobicContact CB-CB 4.09Å; K349-R426 PolarHBondContact N-O 2.74Å; K349-R426 VanDerWaalsContact N-O 3.09Å; K349-R426 PolarHBondContact O-N 2.76Å; Y361-R426 HydrophobicContact CD1-CB 4.07Å; Y361-R426 HydrophobicContact CE1-CB 4Å; F408-R426 WeakPolarHBondContact O-CA 3.49Å; L409-R426 HydrophobicContact CD2-CB 3.37Å; L409-R426 HydrophobicContact CD2-CG 3.6Å
427C91.8Very high85.8Confident3 Ų356.2 Ų56.22%0.0229%0.287CS..EExtended strand (participates in β ladder)trans-91.6156.6172-55.10000110.2L348 F408 Q432L348-C427 HydrophobicContact CD2-CB 4.32Å; F408-C427 HydrophobicContact CB-CB 4.04Å; F408-C427 PolarHBondContact O-N 3.45Å; C427-Q432 VanDerWaalsContact CA-OE1 3.28Å; C427-Q432 HydrophobicContact CB-CB 4.39Å; C427-Q432 HydrophobicContact CB-CG 4.26Å
428E87.7Confident86.7Confident108 Ų10849.4 Ų49.451%0.50524%0.242SC..SBendtrans-85.3-34.2-178.4-63.8-171.1162.200112.6
429N87.9Confident87.6Confident69 Ų6940.2 Ų40.237%0.36920%0.199SC..SBendtrans-144.6168.3-175.362.756.2000112.3Q431 Q432 Y433N429-Q431 VanDerWaalsContact C-N 3.29Å; N429-Q431 PolarHBondContact O-N 3.37Å; N429-Q431 PolarHBondContact OD1-N 3.41Å; N429-Q432 PolarHBondContact O-N 2.96Å; N429-Q432 VanDerWaalsContact OD1-CB 3.31Å; N429-Q432 WeakPolarHBondContact OD1-CB 3.35Å; N429-Q432 PolarHBondContact OD1-N 3.15Å; N429-Y433 WeakPolarHBondContact O-CB 3.32Å; N429-Y433 PolarHBondContact O-N 3.31Å
430E87Confident88.6Confident47 Ų4738.3 Ų38.322%0.2218%0.18CC..Hα-helixtrans-59.8-37.4-178.2-68.9171.6-161.400113.2V403 F408 A434 L465 K469V403-E430 WeakPolarHBondContact CG1-OE1 3.32Å; F408-E430 HydrophobicContact CD1-CG 4.3Å; F408-E430 HydrophobicContact CE1-CB 4.33Å; F408-E430 HydrophobicContact CE1-CG 3.34Å; F408-E430 HydrophobicContact CE2-CG 4.22Å; F408-E430 HydrophobicContact CZ-CB 4.4Å; F408-E430 HydrophobicContact CZ-CG 3.3Å; E430-A434 WeakPolarHBondContact O-CB 3.46Å; E430-A434 PolarHBondContact O-N 3.11Å; E430-L465 HydrophobicContact CB-CD1 4.3Å; E430-K469 WeakPolarHBondContact OE1-CE 3.28Å; E430-K469 IonicContact OE1-NZ 2.99Å; E430-K469 PolarHBondContact OE1-NZ 3.1Å; E430-K469 WeakPolarHBondContact OE2-CE 3.41Å; E430-K469 IonicContact OE2-NZ 3.84Å; E430-K469 PolarHBondContact OE2-NZ 3.49Å
431Q88.3Confident89.3Confident116 Ų11637 Ų3754%0.54217%0.17SC..Hα-helixtrans-68.8-47.7-177.9175.5165.13.500111.1N429 Y433 A434 Q435N429-Q431 VanDerWaalsContact C-N 3.29Å; N429-Q431 PolarHBondContact O-N 3.37Å; N429-Q431 PolarHBondContact OD1-N 3.41Å; Q431-Y433 VanDerWaalsContact C-N 3.35Å; Q431-A434 PolarHBondContact O-N 3.48Å; Q431-Q435 WeakPolarHBondContact O-CG 3.45Å; Q431-Q435 PolarHBondContact O-N 3.13Å
432Q90.9Very high89.7Confident13 Ų1333.2 Ų33.26%0.06115%0.149CC..Hα-helixtrans-61.7-45.4175.1-171.6-175.762.500110Y347 L348 C427 N429 A434 Q435 W436Y347-Q432 PolarHBondContact O-NE2 2.93Å; L348-Q432 HydrophobicContact CD2-CG 4.17Å; C427-Q432 VanDerWaalsContact CA-OE1 3.28Å; C427-Q432 HydrophobicContact CB-CB 4.39Å; C427-Q432 HydrophobicContact CB-CG 4.26Å; N429-Q432 PolarHBondContact O-N 2.96Å; N429-Q432 VanDerWaalsContact OD1-CB 3.31Å; N429-Q432 WeakPolarHBondContact OD1-CB 3.35Å; N429-Q432 PolarHBondContact OD1-N 3.15Å; Q432-A434 PolarHBondContact O-N 3.38Å; Q432-Q435 PolarHBondContact O-N 3.44Å; Q432-W436 WeakPolarHBondContact O-CB 3.31Å; Q432-W436 PolarHBondContact O-N 2.89Å
433Y91.9Very high89.8Confident6 Ų630.5 Ų30.52%0.02414%0.137CC..Hα-helixtrans-58.5-46.9176.7173.1-96.2000113.1P399 V401 F408 L409 I410 N429 Q431 Q435 W436 M437 I461 L465P399-Y433 WeakPolarHBondContact CB-OH 3.2Å; V401-Y433 HydrophobicContact CG2-CD1 4.24Å; V401-Y433 HydrophobicContact CG2-CD2 4.17Å; V401-Y433 HydrophobicContact CG2-CE1 3.55Å; V401-Y433 HydrophobicContact CG2-CE2 3.45Å; V401-Y433 VanDerWaalsContact CG2-CE2 3.45Å; V401-Y433 WeakPolarHBondContact CG2-OH 3.29Å; F408-Y433 HydrophobicContact CB-CD2 3.81Å; F408-Y433 HydrophobicContact CB-CG 3.87Å; F408-Y433 HydrophobicContact CD1-CG 4.25Å; F408-Y433 HydrophobicContact CG-CG 4.42Å; L409-Y433 WeakPolarHBondContact O-CE2 3.27Å; I410-Y433 HydrophobicContact CD1-CD2 4.31Å; I410-Y433 HydrophobicContact CD1-CE2 4.38Å; I410-Y433 HydrophobicContact CG1-CD2 3.86Å; I410-Y433 HydrophobicContact CG1-CE2 3.56Å; N429-Y433 WeakPolarHBondContact O-CB 3.32Å; N429-Y433 PolarHBondContact O-N 3.31Å; Q431-Y433 VanDerWaalsContact C-N 3.35Å; Y433-Q435 VanDerWaalsContact C-N 3.3Å; Y433-Q435 PolarHBondContact O-N 3.31Å; Y433-W436 PolarHBondContact O-N 3.19Å; Y433-M437 HydrophobicContact CE1-CB 4.25Å; Y433-M437 HydrophobicContact CE1-CG 4.42Å; Y433-M437 HydrophobicContact CE2-CB 4.22Å; Y433-M437 HydrophobicContact CE2-CG 4.5Å; Y433-M437 WeakPolarHBondContact O-CB 3.41Å; Y433-M437 PolarHBondContact O-N 3.02Å; Y433-I461 HydrophobicContact CD1-CG2 4.3Å; Y433-I461 HydrophobicContact CE1-CG2 3.91Å; Y433-L465 HydrophobicContact CD1-CD1 3.94Å; Y433-L465 HydrophobicContact CE1-CD1 4.31Å; Y433-L465 HydrophobicContact CE1-CD2 4.37Å
434A90.4Very high89.8Confident0 Ų031.5 Ų31.50%014%0.144CC..Hα-helixtrans-60.6-41.3-179.300000112E430 Q431 Q432 A438 I458 I461 R462E430-A434 WeakPolarHBondContact O-CB 3.46Å; E430-A434 PolarHBondContact O-N 3.11Å; Q431-A434 PolarHBondContact O-N 3.48Å; Q432-A434 PolarHBondContact O-N 3.38Å; A434-A438 VanDerWaalsContact O-CB 3.23Å; A434-A438 WeakPolarHBondContact O-CB 3.31Å; A434-A438 PolarHBondContact O-N 2.98Å; A434-I458 HydrophobicContact CB-CG2 4.28Å; A434-I461 HydrophobicContact CB-CB 4.36Å; A434-I461 HydrophobicContact CB-CG2 3.96Å; A434-R462 HydrophobicContact CB-CG 3.95Å
435Q91.1Very high89.7Confident58 Ų5836.8 Ų36.827%0.27117%0.167SC..Hα-helixtrans-67.8-47.8178.2-68.4174.3-25.600112L344 Q431 Q432 Y433 G439 I458L344-Q435 HydrophobicContact CD1-CB 3.7Å; Q431-Q435 WeakPolarHBondContact O-CG 3.45Å; Q431-Q435 PolarHBondContact O-N 3.13Å; Q432-Q435 PolarHBondContact O-N 3.44Å; Y433-Q435 VanDerWaalsContact C-N 3.3Å; Y433-Q435 PolarHBondContact O-N 3.31Å; Q435-G439 PolarHBondContact O-N 2.57Å; Q435-I458 HydrophobicContact CG-CD1 4.07Å
436W93.1Very high89.4Confident0 Ų038.4 Ų38.40%018%0.184CC..Hα-helixtrans-68.9-37.8-179.5-81.182.8000112.7L344 D346 L348 F366 F368 I373 I410 Q432 Y433 G439 C440L344-W436 HydrophobicContact CD2-CD2 3.23Å; L344-W436 HydrophobicContact CD2-CE3 3.48Å; L344-W436 VanDerWaalsContact CD2-CE3 3.48Å; L344-W436 HydrophobicContact CD2-CG 3.76Å; L344-W436 HydrophobicContact CD2-CH2 3.67Å; L344-W436 HydrophobicContact CD2-CZ2 3.49Å; L344-W436 VanDerWaalsContact CD2-CZ2 3.49Å; L344-W436 HydrophobicContact CD2-CZ3 3.7Å; L344-W436 HydrophobicContact CG-CD2 4.22Å; L344-W436 HydrophobicContact CG-CG 4.49Å; L344-W436 HydrophobicContact CG-CZ2 4.08Å; D346-W436 HydrophobicContact CB-CZ2 3.89Å; D346-W436 PolarHBondContact OD2-NE1 2.64Å; L348-W436 HydrophobicContact CD1-CD2 3.5Å; L348-W436 VanDerWaalsContact CD1-CD2 3.5Å; L348-W436 HydrophobicContact CD1-CE3 3.51Å; L348-W436 HydrophobicContact CD1-CG 4.22Å; L348-W436 HydrophobicContact CD1-CH2 3.93Å; L348-W436 HydrophobicContact CD1-CZ2 3.87Å; L348-W436 HydrophobicContact CD1-CZ3 3.73Å; L348-W436 HydrophobicContact CD2-CD2 4.46Å; L348-W436 HydrophobicContact CG-CD2 4.4Å; L348-W436 HydrophobicContact CG-CZ2 4.34Å; F366-W436 HydrophobicContact CB-CH2 3.33Å; F366-W436 HydrophobicContact CB-CZ2 3.91Å; F366-W436 HydrophobicContact CB-CZ3 4.05Å; F366-W436 HydrophobicContact CG-CH2 4.3Å; F368-W436 HydrophobicContact CB-CH2 4.38Å; F368-W436 HydrophobicContact CB-CZ3 4.46Å; F368-W436 HydrophobicContact CD2-CE3 4.28Å; F368-W436 AromaticContact CD2-CZ3 3.97Å; F368-W436 HydrophobicContact CD2-CZ3 3.97Å; I373-W436 HydrophobicContact CD1-CE3 4.34Å; I373-W436 HydrophobicContact CD1-CZ3 4Å; I373-W436 HydrophobicContact CG1-CZ3 4.31Å; I373-W436 HydrophobicContact CG2-CZ3 4.32Å; I410-W436 HydrophobicContact CD1-CB 3.67Å; Q432-W436 WeakPolarHBondContact O-CB 3.31Å; Q432-W436 PolarHBondContact O-N 2.89Å; Y433-W436 PolarHBondContact O-N 3.19Å; W436-G439 PolarHBondContact O-N 3.36Å; W436-C440 WeakPolarHBondContact O-CB 3.48Å; W436-C440 PolarHBondContact O-N 3.46Å; W436-C440 PolarHBondContact O-SG 3.3Å
437M92.1Very high89.1Confident0 Ų038 Ų380%019%0.185CC..Hα-helixtrans-67.5-44.9176.8-176.667.4-177.600111.3V397 P399 I410 Y433 G439 C440 R441 I461V397-M437 HydrophobicContact CG1-CE 3.76Å; V397-M437 HydrophobicContact CG1-SD 3.73Å; P399-M437 HydrophobicContact CB-CE 3.94Å; P399-M437 HydrophobicContact CG-CE 4.3Å; I410-M437 HydrophobicContact CB-SD 4.41Å; I410-M437 HydrophobicContact CD1-CB 4.06Å; I410-M437 HydrophobicContact CG1-CB 4.3Å; I410-M437 HydrophobicContact CG1-SD 3.98Å; I410-M437 HydrophobicContact CG2-SD 3.82Å; Y433-M437 HydrophobicContact CE1-CB 4.25Å; Y433-M437 HydrophobicContact CE1-CG 4.42Å; Y433-M437 HydrophobicContact CE2-CB 4.22Å; Y433-M437 HydrophobicContact CE2-CG 4.5Å; Y433-M437 WeakPolarHBondContact O-CB 3.41Å; Y433-M437 PolarHBondContact O-N 3.02Å; M437-G439 VanDerWaalsContact C-N 3.32Å; M437-G439 PolarHBondContact O-N 3.09Å; M437-C440 PolarHBondContact O-N 2.81Å; M437-R441 HydrophobicContact CE-CG 4.18Å; M437-R441 VanDerWaalsContact CE-NE 3.31Å; M437-R441 WeakPolarHBondContact O-CB 3.37Å; M437-R441 WeakPolarHBondContact O-CG 3.5Å; M437-R441 PolarHBondContact O-N 2.91Å; M437-I461 HydrophobicContact CB-CD1 3.99Å; M437-I461 HydrophobicContact CG-CD1 3.84Å
438A90.4Very high88.8Confident0 Ų040.1 Ų40.10%020%0.199CC..Hα-helixtrans-59-45.4173.800000111.1A434 C440 R441 L442 F454 E457 I458 I461A434-A438 VanDerWaalsContact O-CB 3.23Å; A434-A438 WeakPolarHBondContact O-CB 3.31Å; A434-A438 PolarHBondContact O-N 2.98Å; A438-C440 PolarHBondContact O-N 3.01Å; A438-R441 PolarHBondContact O-N 3.13Å; A438-L442 WeakPolarHBondContact O-CG 3.39Å; A438-L442 PolarHBondContact O-N 2.93Å; A438-F454 HydrophobicContact CB-CD2 3.99Å; A438-F454 HydrophobicContact CB-CE2 3.79Å; A438-E457 HydrophobicContact CB-CB 4.03Å; A438-E457 HydrophobicContact CB-CG 3.71Å; A438-I458 HydrophobicContact CB-CG1 3.66Å; A438-I461 HydrophobicContact CB-CD1 3.95Å
439G90.6Very high88.7Confident0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-60.6-47178.200000112.2F368 Q435 W436 M437 R441 L442 A443F368-G439 VanDerWaalsContact CZ-O 3.29Å; F368-G439 WeakPolarHBondContact CZ-O 3.37Å; Q435-G439 PolarHBondContact O-N 2.57Å; W436-G439 PolarHBondContact O-N 3.36Å; M437-G439 VanDerWaalsContact C-N 3.32Å; M437-G439 PolarHBondContact O-N 3.09Å; G439-R441 PolarHBondContact O-N 3.09Å; G439-L442 PolarHBondContact O-N 2.86Å; G439-A443 WeakPolarHBondContact O-CB 3.44Å; G439-A443 PolarHBondContact O-N 2.71Å
440C90.3Very high88.3Confident0 Ų035.4 Ų35.40%019%0.187CC..Hα-helixtrans-62.3-44176.9-66.80000112.1L392 V397 I410 L412 W436 M437 A438 L442 A443 S444L392-C440 HydrophobicContact CD1-CB 4.33Å; V397-C440 HydrophobicContact CG1-CB 3.73Å; V397-C440 HydrophobicContact CG2-CB 4.08Å; I410-C440 HydrophobicContact CG2-CB 4.48Å; L412-C440 HydrophobicContact CD2-CB 4.03Å; W436-C440 WeakPolarHBondContact O-CB 3.48Å; W436-C440 PolarHBondContact O-N 3.46Å; W436-C440 PolarHBondContact O-SG 3.3Å; M437-C440 PolarHBondContact O-N 2.81Å; A438-C440 PolarHBondContact O-N 3.01Å; C440-L442 PolarHBondContact O-N 3.33Å; C440-A443 PolarHBondContact O-N 3.31Å; C440-S444 WeakPolarHBondContact O-CB 3.42Å; C440-S444 PolarHBondContact O-N 3.01Å
441R88.7Confident88.2Confident74 Ų7435.2 Ų35.228%0.27919%0.187SC..Hα-helixtrans-61.5-41.8177.2-79.1-177.9174.81713.4112.2V397 M437 A438 G439 S444 E457V397-R441 HydrophobicContact CB-CG 4.37Å; V397-R441 HydrophobicContact CG1-CG 4.18Å; M437-R441 HydrophobicContact CE-CG 4.18Å; M437-R441 VanDerWaalsContact CE-NE 3.31Å; M437-R441 WeakPolarHBondContact O-CB 3.37Å; M437-R441 WeakPolarHBondContact O-CG 3.5Å; M437-R441 PolarHBondContact O-N 2.91Å; A438-R441 PolarHBondContact O-N 3.13Å; G439-R441 PolarHBondContact O-N 3.09Å; R441-S444 PolarHBondContact O-OG 3.46Å; R441-E457 WeakPolarHBondContact CD-OE1 3.39Å; R441-E457 IonicContact CZ-OE1 2.93Å; R441-E457 IonicContact NE-OE1 2.73Å; R441-E457 IonicContact NH1-OE1 2.96Å; R441-E457 PolarHBondContact NH1-OE1 2.74Å
442L88.3Confident87.9Confident8 Ų835.2 Ų35.24%0.04220%0.2CC..Hα-helixtrans-67.1-46.9176-72.6-173.9000112A438 G439 C440 S444 K445 G446 K447 D451 S453 F454A438-L442 WeakPolarHBondContact O-CG 3.39Å; A438-L442 PolarHBondContact O-N 2.93Å; G439-L442 PolarHBondContact O-N 2.86Å; C440-L442 PolarHBondContact O-N 3.33Å; L442-S444 VanDerWaalsContact C-N 3.26Å; L442-S444 PolarHBondContact O-N 3.23Å; L442-K445 CarbonylContact O-C 3.59Å; L442-K445 WeakPolarHBondContact O-CA 3.47Å; L442-K445 PolarHBondContact O-N 2.66Å; L442-G446 PolarHBondContact O-N 3.25Å; L442-K447 CarbonylContact C-O 3.59Å; L442-K447 VanDerWaalsContact C-O 3.27Å; L442-K447 HydrophobicContact CB-CB 4.13Å; L442-K447 HydrophobicContact CD2-CB 4.37Å; L442-K447 HydrophobicContact CD2-CD 4.08Å; L442-K447 PolarHBondContact O-N 3.42Å; L442-D451 HydrophobicContact CD1-CB 4.46Å; L442-S453 WeakPolarHBondContact CD2-OG 3.41Å; L442-F454 HydrophobicContact CD1-CB 3.61Å; L442-F454 HydrophobicContact CD1-CD2 3.73Å; L442-F454 HydrophobicContact CD1-CG 4.1Å
443A87.8Confident87.7Confident0 Ų036 Ų360%021%0.208CC..Hα-helixtrans-64.3-31.7179.800000112.8F368 T371 L392 G439 C440 K445 G446 K447F368-A443 HydrophobicContact CE1-CB 4.09Å; F368-A443 HydrophobicContact CZ-CB 3.59Å; T371-A443 HydrophobicContact CG2-CB 4.42Å; L392-A443 HydrophobicContact CB-CB 3.84Å; L392-A443 HydrophobicContact CD1-CB 3.89Å; L392-A443 HydrophobicContact CG-CB 4.49Å; G439-A443 WeakPolarHBondContact O-CB 3.44Å; G439-A443 PolarHBondContact O-N 2.71Å; C440-A443 PolarHBondContact O-N 3.31Å; A443-K445 PolarHBondContact O-N 2.76Å; A443-G446 WeakPolarHBondContact O-CA 3.3Å; A443-G446 PolarHBondContact O-N 2.77Å; A443-K447 WeakPolarHBondContact CA-O 3.46Å; A443-K447 PolarHBondContact N-O 3.21Å
444S88Confident87.4Confident23 Ų2336.2 Ų36.216%0.16121%0.208CC..Hα-helixtrans-57.5-36.8171.977.80000113.1L392 G394 C395 C440 R441 L442 G446L392-S444 VanDerWaalsContact O-CA 3.31Å; L392-S444 WeakPolarHBondContact O-CA 3.39Å; G394-S444 PolarHBondContact N-O 3.05Å; C395-S444 VanDerWaalsContact O-CB 3.27Å; C395-S444 WeakPolarHBondContact O-CB 3.32Å; C440-S444 WeakPolarHBondContact O-CB 3.42Å; C440-S444 PolarHBondContact O-N 3.01Å; R441-S444 PolarHBondContact O-OG 3.46Å; L442-S444 VanDerWaalsContact C-N 3.26Å; L442-S444 PolarHBondContact O-N 3.23Å; S444-G446 VanDerWaalsContact C-N 3.26Å; S444-G446 PolarHBondContact O-N 2.99Å
445K86.2Confident87.2Confident156 Ų15642.1 Ų42.168%0.67824%0.236SC*.THydrogen-bonded Turntrans-85.65.3175.8-61.8175.5-177.6175.10112.9L442 A443 K447L442-K445 CarbonylContact O-C 3.59Å; L442-K445 WeakPolarHBondContact O-CA 3.47Å; L442-K445 PolarHBondContact O-N 2.66Å; A443-K445 PolarHBondContact O-N 2.76Å; K445-K447 VanDerWaalsContact C-N 3.33Å
446G83.4Confident86.9Confident34 Ų3443 Ų4335%0.35125%0.248SC..THydrogen-bonded Turntrans75.715.4-178.400000114.8L442 A443 S444L442-G446 PolarHBondContact O-N 3.25Å; A443-G446 WeakPolarHBondContact O-CA 3.3Å; A443-G446 PolarHBondContact O-N 2.77Å; S444-G446 VanDerWaalsContact C-N 3.26Å; S444-G446 PolarHBondContact O-N 2.99Å
447K85.8Confident86.6Confident84 Ų8445 Ų4537%0.36526%0.258SS..  trans-96.4144.4178-65.7175.3158.5-129.90110.7L442 A443 K445 D451L442-K447 CarbonylContact C-O 3.59Å; L442-K447 VanDerWaalsContact C-O 3.27Å; L442-K447 HydrophobicContact CB-CB 4.13Å; L442-K447 HydrophobicContact CD2-CB 4.37Å; L442-K447 HydrophobicContact CD2-CD 4.08Å; L442-K447 PolarHBondContact O-N 3.42Å; A443-K447 WeakPolarHBondContact CA-O 3.46Å; A443-K447 PolarHBondContact N-O 3.21Å; K445-K447 VanDerWaalsContact C-N 3.33Å; K447-D451 HydrophobicContact CB-CB 4.3Å; K447-D451 VanDerWaalsContact CD-OD2 3.31Å; K447-D451 WeakPolarHBondContact CD-OD2 3.27Å; K447-D451 WeakPolarHBondContact CE-OD2 3.44Å; K447-D451 IonicContact NZ-OD1 3.69Å; K447-D451 PolarHBondContact NZ-OD1 3.2Å; K447-D451 IonicContact NZ-OD2 2.78Å; K447-D451 PolarHBondContact NZ-OD2 3.02Å
448S85.5Confident86.4Confident46 Ų4645.2 Ų45.232%0.32226%0.259SS..  trans-89.9170.2178.1670000111.9A450 D451S448-A450 PolarHBondContact O-N 2.94Å; S448-A450 VanDerWaalsContact O-N 3.12Å; S448-D451 WeakPolarHBondContact O-CB 3.47Å; S448-D451 PolarHBondContact O-N 2.98Å; S448-D451 VanDerWaalsContact O-N 3.09Å
449L84.2Confident86.1Confident11 Ų1150.6 Ų50.66%0.05828%0.284CS..THydrogen-bonded Turntrans-62.6-15.2175.1-58178.1000113.2P342 L344 F368 D451 F454P342-L449 HydrophobicContact CB-CB 4.43Å; P342-L449 HydrophobicContact CG-CB 4.19Å; P342-L449 WeakPolarHBondContact CG-O 3.45Å; P342-L449 WeakPolarHBondContact O-CD1 3.32Å; L344-L449 HydrophobicContact CB-CD1 3.69Å; F368-L449 HydrophobicContact CB-CD1 4.15Å; F368-L449 HydrophobicContact CD1-CD1 3.62Å; F368-L449 HydrophobicContact CD1-CD2 4.11Å; F368-L449 HydrophobicContact CD1-CG 3.83Å; F368-L449 HydrophobicContact CE1-CD1 4.3Å; F368-L449 HydrophobicContact CE1-CD2 4Å; F368-L449 HydrophobicContact CE1-CG 4.01Å; F368-L449 HydrophobicContact CG-CD1 4.06Å; F368-L449 HydrophobicContact CZ-CD2 4.47Å; L449-D451 VanDerWaalsContact C-N 3.29Å; L449-F454 HydrophobicContact CD2-CD2 4.03Å; L449-F454 HydrophobicContact CD2-CE1 4.34Å; L449-F454 HydrophobicContact CD2-CE2 3.58Å; L449-F454 HydrophobicContact CD2-CZ 3.75Å
450A80.8Confident85.8Confident67 Ų6753.8 Ų53.855%0.55431%0.306SS*.THydrogen-bonded Turntrans-82.8-2.3176.200000113.6S448S448-A450 PolarHBondContact O-N 2.94Å; S448-A450 VanDerWaalsContact O-N 3.12Å
451D84.6Confident85.7Confident43 Ų4354.1 Ų54.123%0.2331%0.308CS..SBendtrans-68.1137174.5-171.3-70.4000110.3L442 K447 S448 L449 S453 F454L442-D451 HydrophobicContact CD1-CB 4.46Å; K447-D451 HydrophobicContact CB-CB 4.3Å; K447-D451 VanDerWaalsContact CD-OD2 3.31Å; K447-D451 WeakPolarHBondContact CD-OD2 3.27Å; K447-D451 WeakPolarHBondContact CE-OD2 3.44Å; K447-D451 IonicContact NZ-OD1 3.69Å; K447-D451 PolarHBondContact NZ-OD1 3.2Å; K447-D451 IonicContact NZ-OD2 2.78Å; K447-D451 PolarHBondContact NZ-OD2 3.02Å; S448-D451 WeakPolarHBondContact O-CB 3.47Å; S448-D451 PolarHBondContact O-N 2.98Å; S448-D451 VanDerWaalsContact O-N 3.09Å; L449-D451 VanDerWaalsContact C-N 3.29Å; D451-S453 PolarHBondContact O-N 3.12Å; D451-S453 VanDerWaalsContact OD1-CB 3.29Å; D451-S453 WeakPolarHBondContact OD1-CB 3.28Å; D451-S453 PolarHBondContact OD1-N 3.03Å; D451-S453 PolarHBondContact OD1-OG 2.99Å; D451-F454 WeakPolarHBondContact O-CB 3.45Å; D451-F454 PolarHBondContact O-N 3.14Å
452S81.8Confident85.6Confident116 Ų11655.1 Ų55.181%0.81131%0.312SS*.THydrogen-bonded Turntrans-59.9-21.1-177.854.70000113.4F454S452-F454 VanDerWaalsContact C-N 3.31Å; S452-F454 PolarHBondContact O-N 3.39Å
453S86.1Confident85.4Confident31 Ų3157.5 Ų57.522%0.21733%0.33CS..Hα-helixtrans-78.1-717663.90000114.8L442 D451 Q455 S456 E457L442-S453 WeakPolarHBondContact CD2-OG 3.41Å; D451-S453 PolarHBondContact O-N 3.12Å; D451-S453 VanDerWaalsContact OD1-CB 3.29Å; D451-S453 WeakPolarHBondContact OD1-CB 3.28Å; D451-S453 PolarHBondContact OD1-N 3.03Å; D451-S453 PolarHBondContact OD1-OG 2.99Å; S453-Q455 PolarHBondContact O-N 2.83Å; S453-S456 WeakPolarHBondContact CA-OG 3.17Å; S453-S456 PolarHBondContact O-N 3.02Å; S453-S456 PolarHBondContact O-OG 2.97Å; S453-E457 WeakPolarHBondContact O-CB 3.42Å; S453-E457 PolarHBondContact O-N 3.2Å
454F86.4Confident85Confident9 Ų963.2 Ų63.24%0.03935%0.354CS..Hα-helixtrans-62.6-45.1-178.8-178-125.4000112.9P342 L344 A438 L442 L449 D451 S452 E457 I458P342-F454 HydrophobicContact CB-CE1 4.2Å; P342-F454 HydrophobicContact CG-CD1 4.17Å; P342-F454 HydrophobicContact CG-CE1 4.25Å; L344-F454 HydrophobicContact CD1-CZ 4.17Å; A438-F454 HydrophobicContact CB-CD2 3.99Å; A438-F454 HydrophobicContact CB-CE2 3.79Å; L442-F454 HydrophobicContact CD1-CB 3.61Å; L442-F454 HydrophobicContact CD1-CD2 3.73Å; L442-F454 HydrophobicContact CD1-CG 4.1Å; L449-F454 HydrophobicContact CD2-CD2 4.03Å; L449-F454 HydrophobicContact CD2-CE1 4.34Å; L449-F454 HydrophobicContact CD2-CE2 3.58Å; L449-F454 HydrophobicContact CD2-CZ 3.75Å; D451-F454 WeakPolarHBondContact O-CB 3.45Å; D451-F454 PolarHBondContact O-N 3.14Å; S452-F454 VanDerWaalsContact C-N 3.31Å; S452-F454 PolarHBondContact O-N 3.39Å; F454-E457 PolarHBondContact O-N 2.98Å; F454-I458 HydrophobicContact CD1-CD1 4.08Å; F454-I458 HydrophobicContact CD2-CD1 4.3Å; F454-I458 HydrophobicContact CE1-CD1 3.71Å; F454-I458 HydrophobicContact CE2-CD1 3.95Å; F454-I458 HydrophobicContact CE2-CG1 4.27Å; F454-I458 HydrophobicContact CG-CD1 4.37Å; F454-I458 HydrophobicContact CZ-CD1 3.64Å; F454-I458 HydrophobicContact CZ-CG1 4.42Å; F454-I458 WeakPolarHBondContact O-CG1 3.42Å; F454-I458 PolarHBondContact O-N 2.71Å; F454-I458 VanDerWaalsContact O-N 3.09Å
455Q86.1Confident84.7Confident125 Ų12562.3 Ų62.358%0.58435%0.348SS*.Hα-helixtrans-68.9-39179.4-67.7-61.7-20.700112.3S453 I458 Q459S453-Q455 PolarHBondContact O-N 2.83Å; Q455-I458 PolarHBondContact O-N 2.94Å; Q455-Q459 PolarHBondContact O-N 2.82Å
456S85Confident84.4Confident75 Ų7557.2 Ų57.252%0.52434%0.335SS..Hα-helixtrans-68.5-34.6177.358.50000112.2S453 Q459 S460S453-S456 WeakPolarHBondContact CA-OG 3.17Å; S453-S456 PolarHBondContact O-N 3.02Å; S453-S456 PolarHBondContact O-OG 2.97Å; S456-Q459 PolarHBondContact O-N 3.23Å; S456-S460 WeakPolarHBondContact O-CB 3.43Å; S456-S460 PolarHBondContact O-N 3.31Å
457E87.1Confident84Confident42 Ų4261.8 Ų61.820%0.19635%0.349CS..Hα-helixtrans-66.3-42.2173.8-171.269.4-162.700111.7A438 R441 S453 F454 Q459 S460 I461A438-E457 HydrophobicContact CB-CB 4.03Å; A438-E457 HydrophobicContact CB-CG 3.71Å; R441-E457 WeakPolarHBondContact CD-OE1 3.39Å; R441-E457 IonicContact CZ-OE1 2.93Å; R441-E457 IonicContact NE-OE1 2.73Å; R441-E457 IonicContact NH1-OE1 2.96Å; R441-E457 PolarHBondContact NH1-OE1 2.74Å; S453-E457 WeakPolarHBondContact O-CB 3.42Å; S453-E457 PolarHBondContact O-N 3.2Å; F454-E457 PolarHBondContact O-N 2.98Å; E457-Q459 VanDerWaalsContact C-N 3.33Å; E457-Q459 PolarHBondContact O-N 3.16Å; E457-S460 WeakPolarHBondContact O-CB 3.44Å; E457-S460 PolarHBondContact O-N 3.31Å; E457-I461 HydrophobicContact CG-CD1 4.12Å; E457-I461 VanDerWaalsContact O-CG1 3.31Å; E457-I461 WeakPolarHBondContact O-CG1 3.35Å; E457-I461 PolarHBondContact O-N 3.3Å
458I87.6Confident83.1Confident5 Ų561.3 Ų61.33%0.02635%0.348CS..Hα-helixtrans-58.8-46.4173.8-68.7166.4000110.5A434 Q435 A438 F454 Q455 S460 I461 R462A434-I458 HydrophobicContact CB-CG2 4.28Å; Q435-I458 HydrophobicContact CG-CD1 4.07Å; A438-I458 HydrophobicContact CB-CG1 3.66Å; F454-I458 HydrophobicContact CD1-CD1 4.08Å; F454-I458 HydrophobicContact CD2-CD1 4.3Å; F454-I458 HydrophobicContact CE1-CD1 3.71Å; F454-I458 HydrophobicContact CE2-CD1 3.95Å; F454-I458 HydrophobicContact CE2-CG1 4.27Å; F454-I458 HydrophobicContact CG-CD1 4.37Å; F454-I458 HydrophobicContact CZ-CD1 3.64Å; F454-I458 HydrophobicContact CZ-CG1 4.42Å; F454-I458 WeakPolarHBondContact O-CG1 3.42Å; F454-I458 PolarHBondContact O-N 2.71Å; F454-I458 VanDerWaalsContact O-N 3.09Å; Q455-I458 PolarHBondContact O-N 2.94Å; I458-S460 VanDerWaalsContact C-N 3.34Å; I458-S460 PolarHBondContact O-N 2.92Å; I458-I461 PolarHBondContact O-N 2.95Å; I458-R462 WeakPolarHBondContact O-CG 3.47Å; I458-R462 PolarHBondContact O-N 3.02Å
459Q83.6Confident82.2Confident113 Ų11363.8 Ų63.853%0.52835%0.353SS..Hα-helixtrans-63.9-40.9179.9-166.770.19.700111.4Q455 S456 E457 R462 S463Q455-Q459 PolarHBondContact O-N 2.82Å; S456-Q459 PolarHBondContact O-N 3.23Å; E457-Q459 VanDerWaalsContact C-N 3.33Å; E457-Q459 PolarHBondContact O-N 3.16Å; Q459-R462 PolarHBondContact O-N 3.5Å; Q459-S463 PolarHBondContact O-N 2.64Å; Q459-S463 PolarHBondContact O-OG 2.91Å; Q459-S463 VanDerWaalsContact O-OG 3.05Å
460S84.9Confident80.7Confident67 Ų6768 Ų6847%0.46938%0.379SS..Hα-helixtrans-59.6-47.1175-177.90000111.8S456 E457 I458 R462 S463 F464S456-S460 WeakPolarHBondContact O-CB 3.43Å; S456-S460 PolarHBondContact O-N 3.31Å; E457-S460 WeakPolarHBondContact O-CB 3.44Å; E457-S460 PolarHBondContact O-N 3.31Å; I458-S460 VanDerWaalsContact C-N 3.34Å; I458-S460 PolarHBondContact O-N 2.92Å; S460-R462 PolarHBondContact O-N 2.82Å; S460-S463 PolarHBondContact O-N 3.48Å; S460-F464 PolarHBondContact O-N 3.39Å
461I87.1Confident79.2Confident8 Ų871.3 Ų71.34%0.04139%0.388CS..Hα-helixtrans-64.8-41.1178.5-65164.4000111.3Y433 A434 M437 A438 E457 I458 F464 L465Y433-I461 HydrophobicContact CD1-CG2 4.3Å; Y433-I461 HydrophobicContact CE1-CG2 3.91Å; A434-I461 HydrophobicContact CB-CB 4.36Å; A434-I461 HydrophobicContact CB-CG2 3.96Å; M437-I461 HydrophobicContact CB-CD1 3.99Å; M437-I461 HydrophobicContact CG-CD1 3.84Å; A438-I461 HydrophobicContact CB-CD1 3.95Å; E457-I461 HydrophobicContact CG-CD1 4.12Å; E457-I461 VanDerWaalsContact O-CG1 3.31Å; E457-I461 WeakPolarHBondContact O-CG1 3.35Å; E457-I461 PolarHBondContact O-N 3.3Å; I458-I461 PolarHBondContact O-N 2.95Å; I461-F464 PolarHBondContact O-N 3.27Å; I461-L465 HydrophobicContact CG2-CD1 4.16Å; I461-L465 HydrophobicContact CG2-CG 4.46Å; I461-L465 VanDerWaalsContact O-CG 3.31Å; I461-L465 WeakPolarHBondContact O-CG 3.07Å; I461-L465 PolarHBondContact O-N 3.31Å
462R87.3Confident77.3Confident94 Ų9472.6 Ų72.636%0.35540%0.4SS..Hα-helixtrans-62.4-43.2176.1-75.7178.2176.9174.2-0.5112.4A434 I458 Q459 S460 F464 L465 A466A434-R462 HydrophobicContact CB-CG 3.95Å; I458-R462 WeakPolarHBondContact O-CG 3.47Å; I458-R462 PolarHBondContact O-N 3.02Å; Q459-R462 PolarHBondContact O-N 3.5Å; S460-R462 PolarHBondContact O-N 2.82Å; R462-F464 VanDerWaalsContact C-N 3.33Å; R462-F464 PolarHBondContact O-N 3.19Å; R462-L465 PolarHBondContact O-N 3.05Å; R462-A466 PolarHBondContact O-N 3.42Å
463S83.3Confident75.2Confident59 Ų5970.2 Ų70.241%0.41339%0.394SS..Hα-helixtrans-61.3-42.1176-63.40000111.6Q459 S460 A466 M467Q459-S463 PolarHBondContact O-N 2.64Å; Q459-S463 PolarHBondContact O-OG 2.91Å; Q459-S463 VanDerWaalsContact O-OG 3.05Å; S460-S463 PolarHBondContact O-N 3.48Å; S463-A466 PolarHBondContact O-N 2.87Å; S463-M467 WeakPolarHBondContact O-CG 3.29Å; S463-M467 PolarHBondContact O-N 3.09Å
464F80.4Confident72.8Confident119 Ų11974 Ų7452%0.52242%0.42SS..Hα-helixtrans-62.5-43.4175.6-178.3-98.3000112.6S460 I461 R462 A466 M467 Q468S460-F464 PolarHBondContact O-N 3.39Å; I461-F464 PolarHBondContact O-N 3.27Å; R462-F464 VanDerWaalsContact C-N 3.33Å; R462-F464 PolarHBondContact O-N 3.19Å; F464-A466 VanDerWaalsContact C-N 3.33Å; F464-A466 PolarHBondContact O-N 3.44Å; F464-M467 PolarHBondContact O-N 3.12Å; F464-Q468 HydrophobicContact CE1-CG 4.39Å; F464-Q468 VanDerWaalsContact CZ-NE2 3.35Å; F464-Q468 PolarHBondContact O-N 3.44Å
465L82.5Confident70.3Confident4 Ų478 Ų782%0.02145%0.45CS..Hα-helixtrans-63.8-37.2175.7-67.3170.4000112.2V401 V403 E430 Y433 I461 R462 Q468 K469V401-L465 HydrophobicContact CB-CD2 4.5Å; V401-L465 HydrophobicContact CG1-CD2 3.7Å; V403-L465 HydrophobicContact CG2-CD2 3.87Å; E430-L465 HydrophobicContact CB-CD1 4.3Å; Y433-L465 HydrophobicContact CD1-CD1 3.94Å; Y433-L465 HydrophobicContact CE1-CD1 4.31Å; Y433-L465 HydrophobicContact CE1-CD2 4.37Å; I461-L465 HydrophobicContact CG2-CD1 4.16Å; I461-L465 HydrophobicContact CG2-CG 4.46Å; I461-L465 VanDerWaalsContact O-CG 3.31Å; I461-L465 WeakPolarHBondContact O-CG 3.07Å; I461-L465 PolarHBondContact O-N 3.31Å; R462-L465 PolarHBondContact O-N 3.05Å; L465-Q468 PolarHBondContact O-N 3.27Å; L465-K469 PolarHBondContact O-N 3.48Å
466A79.6Confident67.6Low50 Ų5079.9 Ų79.941%0.41346%0.464SS..Hα-helixtrans-66.3-40.1176.100000112.2R462 S463 F464 Q468 K469 T470R462-A466 PolarHBondContact O-N 3.42Å; S463-A466 PolarHBondContact O-N 2.87Å; F464-A466 VanDerWaalsContact C-N 3.33Å; F464-A466 PolarHBondContact O-N 3.44Å; A466-Q468 VanDerWaalsContact C-N 3.31Å; A466-Q468 PolarHBondContact O-N 2.97Å; A466-K469 WeakPolarHBondContact O-CB 3.42Å; A466-K469 PolarHBondContact O-N 2.99Å; A466-K469 VanDerWaalsContact O-N 3.14Å; A466-T470 PolarHBondContact O-N 2.92Å
467M74.6Confident65.1Low129 Ų12984.2 Ų84.264%0.63548%0.481SS*.Hα-helixtrans-63.6-34.5175.2-73.1-178.4174.600112.8S463 F464 K469 T470 N471S463-M467 WeakPolarHBondContact O-CG 3.29Å; S463-M467 PolarHBondContact O-N 3.09Å; F464-M467 PolarHBondContact O-N 3.12Å; M467-K469 VanDerWaalsContact C-N 3.31Å; M467-K469 PolarHBondContact O-N 3.06Å; M467-T470 WeakPolarHBondContact CA-OG1 3.33Å; M467-T470 PolarHBondContact O-N 3Å; M467-T470 PolarHBondContact O-OG1 2.94Å; M467-N471 PolarHBondContact O-N 3.01Å; M467-N471 VanDerWaalsContact O-N 3.15Å
468Q67.4Low62.3Low74 Ų7487.3 Ų87.335%0.34651%0.507SS..Hα-helixtrans-68.3-29.1174.3-71.4-166.7-10.400113V403 F464 L465 A466 S472V403-Q468 HydrophobicContact CG2-CB 4.41Å; F464-Q468 HydrophobicContact CE1-CG 4.39Å; F464-Q468 VanDerWaalsContact CZ-NE2 3.35Å; F464-Q468 PolarHBondContact O-N 3.44Å; L465-Q468 PolarHBondContact O-N 3.27Å; A466-Q468 VanDerWaalsContact C-N 3.31Å; A466-Q468 PolarHBondContact O-N 2.97Å; Q468-S472 PolarHBondContact O-N 2.9Å; Q468-S472 PolarHBondContact O-OG 3.42Å
469K66.3Low59.9Low98 Ų9891.8 Ų91.843%0.42655%0.545SS..Hα-helixtrans-69.9-33.3172.6-68.1-179.1-179.9176.80112.6V403 E430 L465 A466 M467 S472V403-K469 HydrophobicContact CG1-CD 4.09Å; V403-K469 HydrophobicContact CG1-CG 3.61Å; E430-K469 WeakPolarHBondContact OE1-CE 3.28Å; E430-K469 IonicContact OE1-NZ 2.99Å; E430-K469 PolarHBondContact OE1-NZ 3.1Å; E430-K469 WeakPolarHBondContact OE2-CE 3.41Å; E430-K469 IonicContact OE2-NZ 3.84Å; E430-K469 PolarHBondContact OE2-NZ 3.49Å; L465-K469 PolarHBondContact O-N 3.48Å; A466-K469 WeakPolarHBondContact O-CB 3.42Å; A466-K469 PolarHBondContact O-N 2.99Å; A466-K469 VanDerWaalsContact O-N 3.14Å; M467-K469 VanDerWaalsContact C-N 3.31Å; M467-K469 PolarHBondContact O-N 3.06Å; K469-S472 WeakPolarHBondContact CA-OG 3.24Å; K469-S472 PolarHBondContact O-OG 2.75Å; K469-S472 VanDerWaalsContact O-OG 3.08Å
470T53.2Low57.6Low100 Ų10090.7 Ų90.761%0.61356%0.555SS**Hα-helixtrans-78.6-31.2-179.953.70000112.4A466 M467 S472 G473A466-T470 PolarHBondContact O-N 2.92Å; M467-T470 WeakPolarHBondContact CA-OG1 3.33Å; M467-T470 PolarHBondContact O-N 3Å; M467-T470 PolarHBondContact O-OG1 2.94Å; T470-S472 VanDerWaalsContact C-N 3.34Å; T470-G473 PolarHBondContact O-N 3.24Å
471N49.3Very low55Low137 Ų13792.1 Ų92.173%0.73357%0.565SS**Hα-helixtrans-77.5-15.9175.9-82.91.2000114.2M467 G473M467-N471 PolarHBondContact O-N 3.01Å; M467-N471 VanDerWaalsContact O-N 3.15Å; N471-G473 VanDerWaalsContact C-N 3.28Å
472S44.7Very low52.7Low69 Ų6999.4 Ų99.448%0.48360%0.604SS.*THydrogen-bonded Turntrans-82.9-1.6174.830.70000113.5Q468 K469 T470Q468-S472 PolarHBondContact O-N 2.9Å; Q468-S472 PolarHBondContact O-OG 3.42Å; K469-S472 WeakPolarHBondContact CA-OG 3.24Å; K469-S472 PolarHBondContact O-OG 2.75Å; K469-S472 VanDerWaalsContact O-OG 3.08Å; T470-S472 VanDerWaalsContact C-N 3.34Å
473G36.3Very low50.7Low67 Ų67103 Ų10369%0.69163%0.625SS**THydrogen-bonded Turntrans-87.10-179.500000116.7T470 N471T470-G473 PolarHBondContact O-N 3.24Å; N471-G473 VanDerWaalsContact C-N 3.28Å
474S35.8Very low49.5Very low110 Ų110105.1 Ų105.177%0.76964%0.64SS**SBendtrans-116.87.1-171.7-45.60000115.3
475S33.6Very low48.9Very low94 Ų94100.8 Ų100.866%0.65762%0.622SS**SBendtrans-106.397.9167.847.20000108.6N477S475-N477 PolarHBondContact O-N 2.79Å; S475-N477 VanDerWaalsContact O-N 3.09Å
476N29.3Very low48.7Very low164 Ų164104.6 Ų104.688%0.87764%0.642SS**  trans-49.2119.1167.3-92.1-23.5000109S478N476-S478 VanDerWaalsContact C-N 3.26Å; N476-S478 PolarHBondContact O-N 2.94Å
477N34.2Very low48.8Very low166 Ų166102.3 Ų102.389%0.88862%0.623SS**  trans-53.890.6161.2-83-30.2000109S475 A479S475-N477 PolarHBondContact O-N 2.79Å; S475-N477 VanDerWaalsContact O-N 3.09Å; N477-A479 PolarHBondContact O-N 2.87Å
478S27.8Very low49.3Very low107 Ų10797.8 Ų97.875%0.74860%0.6SS**  trans-72.6109.8141.749.30000105.5N476 A480N476-S478 VanDerWaalsContact C-N 3.26Å; N476-S478 PolarHBondContact O-N 2.94Å; S478-A480 PolarHBondContact O-N 2.82Å
479A35.9Very low50.3Low99 Ų9994.6 Ų94.682%0.81859%0.586SS**  trans-5594.4159.200000106.4N477 S481N477-A479 PolarHBondContact O-N 2.87Å; A479-S481 PolarHBondContact O-N 2.89Å
480A35Very low51.6Low89 Ų8990.1 Ų90.174%0.73657%0.567SS**  trans-56.4116.1167.900000105.2S478 D482S478-A480 PolarHBondContact O-N 2.82Å; A480-D482 PolarHBondContact O-N 3.07Å
481S31.5Very low53.5Low97 Ų9785.3 Ų85.368%0.67854%0.537SS*.  trans-39.7132.6172.844.40000110.1A479 E483A479-S481 PolarHBondContact O-N 2.89Å; S481-E483 PolarHBondContact O-N 3.14Å
482D37.8Very low55.5Low161 Ų16178.8 Ų78.886%0.86150%0.503SS*.  trans-56.475169-160.516.6000109.1A480 S484A480-D482 PolarHBondContact O-N 3.07Å; D482-S484 VanDerWaalsContact C-N 3.32Å; D482-S484 PolarHBondContact O-N 2.8Å
483E45.9Very low57.6Low169 Ų16976 Ų7679%0.7948%0.483SS*.  trans-64.6102.3162-85-169.9161.500105.1S481 I485S481-E483 PolarHBondContact O-N 3.14Å; E483-I485 PolarHBondContact O-N 2.93Å
484S57.5Low60.1Low105 Ų10577.5 Ų77.573%0.73447%0.467SS*.  trans-48.8102.8-177.3600000110D482 N486D482-S484 VanDerWaalsContact C-N 3.32Å; D482-S484 PolarHBondContact O-N 2.8Å; S484-N486 PolarHBondContact O-N 2.82Å
485I68Low62.6Low27 Ų2772.5 Ų72.514%0.13843%0.432CS..  trans-50.3113.8178.5-179.4173000108.9Y292 E483 T487 L490 T505 I508 L509Y292-I485 HydrophobicContact CD1-CD1 4.09Å; Y292-I485 HydrophobicContact CD2-CD1 3.53Å; Y292-I485 HydrophobicContact CD2-CG1 3.86Å; Y292-I485 HydrophobicContact CE1-CD1 4.27Å; Y292-I485 HydrophobicContact CE2-CB 4.42Å; Y292-I485 HydrophobicContact CE2-CD1 3.74Å; Y292-I485 HydrophobicContact CE2-CG1 3.95Å; Y292-I485 HydrophobicContact CG-CD1 3.72Å; E483-I485 PolarHBondContact O-N 2.93Å; I485-T487 HydrophobicContact CB-CG2 4.47Å; I485-T487 HydrophobicContact CD1-CG2 4.31Å; I485-T487 HydrophobicContact CG1-CG2 4.02Å; I485-T487 HydrophobicContact CG2-CG2 3.92Å; I485-T487 PolarHBondContact O-N 3.21Å; I485-L490 HydrophobicContact CD1-CD1 4.01Å; I485-L490 HydrophobicContact CG1-CD1 4Å; I485-T505 HydrophobicContact CG2-CG2 3.51Å; I485-I508 HydrophobicContact CD1-CG2 4.28Å; I485-L509 HydrophobicContact CD1-CD2 4.47Å
486N78.3Confident65Low84 Ų8470 Ų7045%0.44941%0.41SS..  trans-75.379.5177.4-170.8-8.6000108.9S484 H488 S489S484-N486 PolarHBondContact O-N 2.82Å; N486-H488 PolarHBondContact O-N 3.26Å; N486-H488 VanDerWaalsContact O-N 3.17Å; N486-H488 PolarHBondContact OD1-N 2.88Å; N486-S489 PolarHBondContact ND2-OG 3.26Å; N486-S489 WeakPolarHBondContact O-CB 3.19Å; N486-S489 PolarHBondContact O-N 3.16Å
487T82.4Confident67.7Low2 Ų270.6 Ų70.61%0.01240%0.404CS..G310 helixtrans-62.3-23.9-175.250.90000113.3I485 S489 L490 T505 I508I485-T487 HydrophobicContact CB-CG2 4.47Å; I485-T487 HydrophobicContact CD1-CG2 4.31Å; I485-T487 HydrophobicContact CG1-CG2 4.02Å; I485-T487 HydrophobicContact CG2-CG2 3.92Å; I485-T487 PolarHBondContact O-N 3.21Å; T487-S489 PolarHBondContact O-N 3.4Å; T487-L490 PolarHBondContact O-N 2.8Å; T487-T505 VanDerWaalsContact CG2-OG1 3.23Å; T487-T505 WeakPolarHBondContact CG2-OG1 3.4Å; T487-I508 HydrophobicContact CG2-CD1 3.89Å
488H85.6Confident70.3Confident35 Ų3568.2 Ų68.216%0.16239%0.386CS..G310 helixtrans-75.7-7.9173.1-68.6-44.8000113.7P200 N486 H496 P501P200-H488 HydrophobicContact CB-CB 4.36Å; P200-H488 HydrophobicContact CG-CB 3.87Å; N486-H488 PolarHBondContact O-N 3.26Å; N486-H488 VanDerWaalsContact O-N 3.17Å; N486-H488 PolarHBondContact OD1-N 2.88Å; H488-H496 VanDerWaalsContact CA-NE2 3.3Å; H488-H496 WeakPolarHBondContact CA-NE2 3.29Å; H488-H496 AromaticContact CG-CD2 3.87Å; H488-H496 AromaticContact CG-CG 3.97Å; H488-H496 AromaticContact ND1-CD2 3.11Å; H488-H496 PolarHBondContact ND1-CD2 2.89Å; H488-H496 AromaticContact ND1-CG 3.34Å; H488-H496 VanDerWaalsContact ND1-CG 3.34Å; H488-H496 AromaticContact ND1-NE2 3.75Å; H488-H496 PolarHBondContact O-CE1 3.17Å; H488-H496 PolarHBondContact O-NE2 3.4Å; H488-P501 WeakPolarHBondContact NE2-CD 3.47Å; H488-P501 VanDerWaalsContact NE2-CG 3.34Å; H488-P501 WeakPolarHBondContact NE2-CG 3.45Å
489S88.8Confident73.1Confident6 Ų664.6 Ų64.64%0.04236%0.356CS..G310 helixtrans-88.8-7.9169.4-71.70000112.9P198 P200 N486 T487P198-S489 WeakPolarHBondContact O-CB 3.18Å; P198-S489 PolarHBondContact O-OG 3Å; P200-S489 WeakPolarHBondContact CD-OG 3.35Å; N486-S489 PolarHBondContact ND2-OG 3.26Å; N486-S489 WeakPolarHBondContact O-CB 3.19Å; N486-S489 PolarHBondContact O-N 3.16Å; T487-S489 PolarHBondContact O-N 3.4Å
490L92.1Very high75.5Confident4 Ų467.2 Ų67.22%0.02135%0.349CS..SBendtrans-110-10.5-168.9-59.4174.2000113.7P197 G288 Q291 I485 T487P197-L490 HydrophobicContact CB-CD2 3.92Å; P197-L490 HydrophobicContact CG-CD2 3.67Å; G288-L490 WeakPolarHBondContact CA-O 2.86Å; Q291-L490 HydrophobicContact CB-CD2 3.76Å; Q291-L490 PolarHBondContact NE2-O 3.14Å; I485-L490 HydrophobicContact CD1-CD1 4.01Å; I485-L490 HydrophobicContact CG1-CD1 4Å; T487-L490 PolarHBondContact O-N 2.8Å
491V92.7Very high77.9Confident0 Ų066 Ų660%033%0.334CS..SBendtrans-130.8163.9-176.9-56.10000111M284 M285 H496 L504 I508M284-V491 HydrophobicContact CG-CB 3.96Å; M284-V491 HydrophobicContact CG-CG1 3.96Å; M284-V491 HydrophobicContact SD-CB 3.9Å; M284-V491 HydrophobicContact SD-CG1 4.18Å; M285-V491 HydrophobicContact CE-CG1 4.5Å; V491-H496 VanDerWaalsContact CG2-CD2 3.46Å; V491-H496 WeakPolarHBondContact CG2-CD2 3.2Å; V491-H496 PolarHBondContact O-NE2 3.43Å; V491-H496 VanDerWaalsContact O-NE2 3.08Å; V491-L504 HydrophobicContact CG1-CD1 4.49Å; V491-L504 HydrophobicContact CG1-CD2 4.42Å; V491-L504 HydrophobicContact CG2-CD2 3.68Å; V491-I508 HydrophobicContact CG1-CD1 4.03Å
492S92.3Very high80.4Confident0 Ų070.4 Ų70.40%034%0.341CS..  trans-69.9156.9178.485.10000112.6L273 E275 R494 Y495 H496L273-S492 WeakPolarHBondContact O-CB 3.14Å; E275-S492 WeakPolarHBondContact OE1-CB 3.23Å; E275-S492 PolarHBondContact OE1-OG 3.44Å; S492-R494 PolarHBondContact O-N 2.94Å; S492-R494 VanDerWaalsContact O-N 3.08Å; S492-Y495 PolarHBondContact O-N 2.75Å; S492-Y495 WeakPolarHBondContact OG-CD2 3.33Å; S492-H496 PolarHBondContact O-CD2 2.89Å
493P89.7Confident82.8Confident10 Ų1067.5 Ų67.57%0.06532%0.322CS..Hα-helixtrans-59.6-23.8-178.7-25.334.7000115.1I203 L273 Y495 H496 K497I203-P493 HydrophobicContact CG2-CG 3.75Å; L273-P493 VanDerWaalsContact O-CD 3.22Å; L273-P493 WeakPolarHBondContact O-CD 3.44Å; P493-Y495 PolarHBondContact O-N 2.71Å; P493-H496 WeakPolarHBondContact O-CB 3.46Å; P493-H496 PolarHBondContact O-N 2.74Å; P493-K497 PolarHBondContact O-N 3.12Å
494R88.9Confident84.8Confident98 Ų9859.4 Ų59.437%0.3728%0.284SS..Hα-helixtrans-55.6-40.6171.8-179175.979.4-165.27112E275 D278 C279 S492 K498E275-R494 WeakPolarHBondContact OE1-CB 3.48Å; E275-R494 PolarHBondContact OE1-N 3.02Å; E275-R494 VanDerWaalsContact OE1-N 3.11Å; D278-R494 IonicContact OD1-NH1 3.28Å; C279-R494 PolarHBondContact O-NH2 3.32Å; S492-R494 PolarHBondContact O-N 2.94Å; S492-R494 VanDerWaalsContact O-N 3.08Å; R494-K498 PolarHBondContact O-N 3.01Å
495Y88.3Confident86.3Confident5 Ų556 Ų562%0.0226%0.259CS..Hα-helixtrans-80.3-22.7-179.5-63.8-79.7000112.7T280 E281 M284 M285 S492 P493 K497 K498 Y499T280-Y495 PolarHBondContact O-OH 3Å; E281-Y495 VanDerWaalsContact CA-OH 3.28Å; E281-Y495 WeakPolarHBondContact CA-OH 3.13Å; E281-Y495 HydrophobicContact CB-CE1 4.02Å; E281-Y495 HydrophobicContact CG-CE1 3.85Å; E281-Y495 PolarHBondContact N-OH 2.7Å; M284-Y495 HydrophobicContact CB-CD2 4.33Å; M284-Y495 HydrophobicContact CB-CE2 3.73Å; M284-Y495 HydrophobicContact CE-CD2 3.96Å; M284-Y495 HydrophobicContact CE-CE2 3.69Å; M284-Y495 HydrophobicContact CG-CD2 3.62Å; M284-Y495 HydrophobicContact CG-CE2 3.5Å; M284-Y495 VanDerWaalsContact CG-CE2 3.5Å; M284-Y495 HydrophobicContact CG-CG 4.28Å; M284-Y495 HydrophobicContact SD-CD2 4.45Å; M284-Y495 HydrophobicContact SD-CE2 4.42Å; M285-Y495 HydrophobicContact CE-CD1 4.22Å; S492-Y495 PolarHBondContact O-N 2.75Å; S492-Y495 WeakPolarHBondContact OG-CD2 3.33Å; P493-Y495 PolarHBondContact O-N 2.71Å; Y495-K497 VanDerWaalsContact C-N 3.34Å; Y495-K498 PolarHBondContact O-N 2.64Å; Y495-Y499 HydrophobicContact CD1-CD2 4.39Å; Y495-Y499 HydrophobicContact CD1-CE2 4.25Å; Y495-Y499 PolarHBondContact O-N 3.14Å
496H83.1Confident87.3Confident42 Ų4258.3 Ų58.319%0.19428%0.276CS..Hα-helixtrans-64.6-42.1170.3-58.8178.9000111.3H488 V491 S492 P493 K498H488-H496 VanDerWaalsContact CA-NE2 3.3Å; H488-H496 WeakPolarHBondContact CA-NE2 3.29Å; H488-H496 AromaticContact CG-CD2 3.87Å; H488-H496 AromaticContact CG-CG 3.97Å; H488-H496 AromaticContact ND1-CD2 3.11Å; H488-H496 PolarHBondContact ND1-CD2 2.89Å; H488-H496 AromaticContact ND1-CG 3.34Å; H488-H496 VanDerWaalsContact ND1-CG 3.34Å; H488-H496 AromaticContact ND1-NE2 3.75Å; H488-H496 PolarHBondContact O-CE1 3.17Å; H488-H496 PolarHBondContact O-NE2 3.4Å; V491-H496 VanDerWaalsContact CG2-CD2 3.46Å; V491-H496 WeakPolarHBondContact CG2-CD2 3.2Å; V491-H496 PolarHBondContact O-NE2 3.43Å; V491-H496 VanDerWaalsContact O-NE2 3.08Å; S492-H496 PolarHBondContact O-CD2 2.89Å; P493-H496 WeakPolarHBondContact O-CB 3.46Å; P493-H496 PolarHBondContact O-N 2.74Å; H496-K498 VanDerWaalsContact C-N 3.33Å
497K85.6Confident87.9Confident176 Ų17658.7 Ų58.777%0.76527%0.271SS*.Hα-helixtrans-70.4-32.8178.7-66.4-178.5-178.5-175.90111.8P493 Y495P493-K497 PolarHBondContact O-N 3.12Å; Y495-K497 VanDerWaalsContact C-N 3.34Å
498K89Confident88.3Confident117 Ų11758.6 Ų58.651%0.50927%0.27SS..Hα-helixtrans-79.7-38.9-177.3-168.3179.3179.2-171.40113.1E281 R494 Y495 H496E281-K498 IonicContact OE2-NZ 2.69Å; E281-K498 PolarHBondContact OE2-NZ 3.31Å; R494-K498 PolarHBondContact O-N 3.01Å; Y495-K498 PolarHBondContact O-N 2.64Å; H496-K498 VanDerWaalsContact C-N 3.33Å
499Y87.3Confident88.5Confident31 Ų3160.2 Ų60.212%0.12228%0.28CS..  trans-127.4139.8-171.6-62-55.3000113E281 Y495 L504 R507E281-Y499 WeakPolarHBondContact OE1-CE2 3.41Å; E281-Y499 PolarHBondContact OE1-OH 3.48Å; E281-Y499 PolarHBondContact OE2-OH 3.41Å; E281-Y499 VanDerWaalsContact OE2-OH 3.06Å; Y495-Y499 HydrophobicContact CD1-CD2 4.39Å; Y495-Y499 HydrophobicContact CD1-CE2 4.25Å; Y495-Y499 PolarHBondContact O-N 3.14Å; Y499-L504 HydrophobicContact CD2-CD1 4.49Å; Y499-R507 VanDerWaalsContact CG-NH1 3.32Å
500K86.6Confident88.5Confident154 Ų15465 Ų6567%0.6731%0.305SS*.  trans-73.9153.7169.3-64.2-175.7-179.3-179.60110K502 Q503 L504K500-K502 PolarHBondContact O-N 3.02Å; K500-K502 VanDerWaalsContact O-N 3.12Å; K500-Q503 WeakPolarHBondContact O-CB 3.14Å; K500-Q503 PolarHBondContact O-N 3.03Å; K500-L504 PolarHBondContact O-N 3.4Å; K500-L504 VanDerWaalsContact O-N 3.15Å
501P84.1Confident88.4Confident62 Ų6265.4 Ų65.440%0.40331%0.309SS..Hα-helixtrans-48.9-44.5177.8-25.227.2000113.4H488 Q503 L504 T505H488-P501 WeakPolarHBondContact NE2-CD 3.47Å; H488-P501 VanDerWaalsContact NE2-CG 3.34Å; H488-P501 WeakPolarHBondContact NE2-CG 3.45Å; P501-Q503 PolarHBondContact O-N 3.11Å; P501-Q503 VanDerWaalsContact O-N 3.09Å; P501-L504 PolarHBondContact O-N 3.22Å; P501-T505 PolarHBondContact O-N 3.36Å; P501-T505 PolarHBondContact O-OG1 2.88Å; P501-T505 VanDerWaalsContact O-OG1 3.08Å
502K85.6Confident88.2Confident191 Ų19167.2 Ų67.283%0.8332%0.316SS*.Hα-helixtrans-59.3-23.7179.7-63.3-170.7178.3-172.60114.6K500 P506K500-K502 PolarHBondContact O-N 3.02Å; K500-K502 VanDerWaalsContact O-N 3.12Å; K502-P506 VanDerWaalsContact O-CD 3.24Å; K502-P506 WeakPolarHBondContact O-CD 3.22Å
503Q87.2Confident88Confident99 Ų9974.1 Ų74.146%0.46335%0.348SS..Hα-helixtrans-93.9-29176.8-65.7174-25.500112K500 P501K500-Q503 WeakPolarHBondContact O-CB 3.14Å; K500-Q503 PolarHBondContact O-N 3.03Å; P501-Q503 PolarHBondContact O-N 3.11Å; P501-Q503 VanDerWaalsContact O-N 3.09Å
504L87.3Confident87.8Confident0 Ų079.9 Ų79.90%038%0.378CS..Hα-helixtrans-78.6-40.5-177.8-168.963.7000111.3M285 V491 Y499 K500 P501 R507 I508M285-L504 HydrophobicContact CE-CD1 3.81Å; M285-L504 HydrophobicContact SD-CD1 3.61Å; V491-L504 HydrophobicContact CG1-CD1 4.49Å; V491-L504 HydrophobicContact CG1-CD2 4.42Å; V491-L504 HydrophobicContact CG2-CD2 3.68Å; Y499-L504 HydrophobicContact CD2-CD1 4.49Å; K500-L504 PolarHBondContact O-N 3.4Å; K500-L504 VanDerWaalsContact O-N 3.15Å; P501-L504 PolarHBondContact O-N 3.22Å; L504-R507 PolarHBondContact O-N 3.4Å; L504-I508 HydrophobicContact CD1-CD1 4.32Å; L504-I508 HydrophobicContact CD2-CD1 4.32Å; L504-I508 HydrophobicContact CG-CD1 3.84Å; L504-I508 HydrophobicContact CG-CG1 4.41Å; L504-I508 PolarHBondContact O-N 3.4Å
505T89.4Confident87.9Confident34 Ų3475.5 Ų75.521%0.20936%0.362CS..Hα-helixtrans-54.6-52.4-179.7-58.70000113.3I485 T487 P501 R507 I508 L509I485-T505 HydrophobicContact CG2-CG2 3.51Å; T487-T505 VanDerWaalsContact CG2-OG1 3.23Å; T487-T505 WeakPolarHBondContact CG2-OG1 3.4Å; P501-T505 PolarHBondContact O-N 3.36Å; P501-T505 PolarHBondContact O-OG1 2.88Å; P501-T505 VanDerWaalsContact O-OG1 3.08Å; T505-R507 VanDerWaalsContact C-N 3.27Å; T505-R507 PolarHBondContact O-N 3.47Å; T505-I508 PolarHBondContact O-N 3.01Å; T505-L509 HydrophobicContact CG2-CD1 3.71Å; T505-L509 HydrophobicContact CG2-CG 4.2Å; T505-L509 WeakPolarHBondContact O-CB 3.35Å; T505-L509 VanDerWaalsContact O-CG 3.3Å; T505-L509 WeakPolarHBondContact O-CG 3.43Å; T505-L509 PolarHBondContact O-N 2.82Å
506P89.6Confident87.8Confident75 Ų7576.5 Ų76.549%0.48737%0.372SS..Hα-helixtrans-61.6-34.5-180-22.934.8000113.2K502 L509 D510K502-P506 VanDerWaalsContact O-CD 3.24Å; K502-P506 WeakPolarHBondContact O-CD 3.22Å; P506-L509 PolarHBondContact O-N 3.23Å; P506-D510 WeakPolarHBondContact O-CB 3.44Å; P506-D510 PolarHBondContact O-N 3.3Å
507R90.4Very high88Confident92 Ų9281.9 Ų81.935%0.34740%0.397SS..Hα-helixtrans-70-41.7179.6-67.2-178.8178.2136.6-9.1112.5M285 Y499 L504 T505 A511M285-R507 HydrophobicContact CG-CB 4.13Å; M285-R507 HydrophobicContact SD-CB 3.89Å; Y499-R507 VanDerWaalsContact CG-NH1 3.32Å; L504-R507 PolarHBondContact O-N 3.4Å; T505-R507 VanDerWaalsContact C-N 3.27Å; T505-R507 PolarHBondContact O-N 3.47Å; R507-A511 PolarHBondContact O-N 2.82Å; R507-A511 VanDerWaalsContact O-N 3.17Å
508I90.5Very high88.2Confident0 Ų076 Ų760%037%0.374CS..Hα-helixtrans-66.6-41.7174.9-67.6175.8000109.9M285 A289 I485 T487 V491 L504 T505 D510 A511 Y512M285-I508 HydrophobicContact SD-CG1 4.12Å; A289-I508 HydrophobicContact CB-CG2 4.26Å; I485-I508 HydrophobicContact CD1-CG2 4.28Å; T487-I508 HydrophobicContact CG2-CD1 3.89Å; V491-I508 HydrophobicContact CG1-CD1 4.03Å; L504-I508 HydrophobicContact CD1-CD1 4.32Å; L504-I508 HydrophobicContact CD2-CD1 4.32Å; L504-I508 HydrophobicContact CG-CD1 3.84Å; L504-I508 HydrophobicContact CG-CG1 4.41Å; L504-I508 PolarHBondContact O-N 3.4Å; T505-I508 PolarHBondContact O-N 3.01Å; I508-D510 PolarHBondContact O-N 3.21Å; I508-A511 PolarHBondContact O-N 2.89Å; I508-Y512 WeakPolarHBondContact O-CB 3.48Å; I508-Y512 PolarHBondContact O-N 2.76Å
509L89.8Confident88.3Confident69 Ų6972.8 Ų72.836%0.36137%0.366SS..Hα-helixtrans-67.7-33.2178.9-69.4178.5000113I485 T505 P506 Y512 Q513I485-L509 HydrophobicContact CD1-CD2 4.47Å; T505-L509 HydrophobicContact CG2-CD1 3.71Å; T505-L509 HydrophobicContact CG2-CG 4.2Å; T505-L509 WeakPolarHBondContact O-CB 3.35Å; T505-L509 VanDerWaalsContact O-CG 3.3Å; T505-L509 WeakPolarHBondContact O-CG 3.43Å; T505-L509 PolarHBondContact O-N 2.82Å; P506-L509 PolarHBondContact O-N 3.23Å; L509-Y512 WeakPolarHBondContact O-CB 3.42Å; L509-Y512 PolarHBondContact O-N 2.96Å; L509-Q513 PolarHBondContact O-N 3.05Å
510D89.3Confident88.5Confident105 Ų10572.4 Ų72.456%0.56137%0.366SS*.Hα-helixtrans-64.2-47.4172.4-172.863.5000111.1P506 I508 Y512 Q513P506-D510 WeakPolarHBondContact O-CB 3.44Å; P506-D510 PolarHBondContact O-N 3.3Å; I508-D510 PolarHBondContact O-N 3.21Å; D510-Y512 VanDerWaalsContact C-N 3.29Å; D510-Y512 PolarHBondContact O-N 3.39Å; D510-Q513 WeakPolarHBondContact O-CB 3.33Å; D510-Q513 PolarHBondContact O-N 3.48Å
511A88.9Confident88.7Confident13 Ų1367.7 Ų67.711%0.10735%0.35CS..Hα-helixtrans-62.8-35.6173.800000112.5M285 A289 R507 I508 Q513 N514M285-A511 HydrophobicContact CB-CB 4.43Å; A289-A511 HydrophobicContact CB-CB 3.82Å; R507-A511 PolarHBondContact O-N 2.82Å; R507-A511 VanDerWaalsContact O-N 3.17Å; I508-A511 PolarHBondContact O-N 2.89Å; A511-Q513 VanDerWaalsContact C-N 3.26Å; A511-Q513 PolarHBondContact O-N 2.87Å; A511-N514 WeakPolarHBondContact O-CB 3.46Å; A511-N514 PolarHBondContact O-N 3.01Å; A511-N514 VanDerWaalsContact O-N 3.13Å; A511-N514 PolarHBondContact O-ND2 3.33Å
512Y89.7Confident89.1Confident39 Ų3968.9 Ų68.915%0.15335%0.353CS..Hα-helixtrans-59.6-33.1178.2173.1-98.1000113Y292 H293 K296 I508 L509 D510 N514 V515 A516Y292-Y512 AromaticContact CD1-CD2 3.69Å; Y292-Y512 HydrophobicContact CD1-CD2 3.69Å; Y292-Y512 AromaticContact CD1-CE2 3.81Å; Y292-Y512 HydrophobicContact CD1-CE2 3.81Å; Y292-Y512 HydrophobicContact CD1-CG 4.34Å; Y292-Y512 HydrophobicContact CE1-CD2 4.13Å; Y292-Y512 AromaticContact CE1-CE2 3.95Å; Y292-Y512 HydrophobicContact CE1-CE2 3.95Å; H293-Y512 HydrophobicContact CB-CD2 4.1Å; H293-Y512 HydrophobicContact CB-CE2 3.8Å; H293-Y512 AromaticContact ND1-CE2 3.49Å; H293-Y512 WeakPolarHBondContact ND1-CE2 3.33Å; K296-Y512 PolarHBondContact NZ-OH 3.47Å; I508-Y512 WeakPolarHBondContact O-CB 3.48Å; I508-Y512 PolarHBondContact O-N 2.76Å; L509-Y512 WeakPolarHBondContact O-CB 3.42Å; L509-Y512 PolarHBondContact O-N 2.96Å; D510-Y512 VanDerWaalsContact C-N 3.29Å; D510-Y512 PolarHBondContact O-N 3.39Å; Y512-N514 PolarHBondContact O-N 3Å; Y512-V515 HydrophobicContact CD2-CG2 4.25Å; Y512-V515 WeakPolarHBondContact O-CG2 3.08Å; Y512-V515 PolarHBondContact O-N 3.07Å; Y512-A516 HydrophobicContact CD1-CB 4.08Å; Y512-A516 HydrophobicContact CE1-CB 3.54Å; Y512-A516 HydrophobicContact CE2-CB 4.15Å; Y512-A516 WeakPolarHBondContact O-CB 3.2Å; Y512-A516 PolarHBondContact O-N 3.23Å
513Q88.1Confident89.6Confident144 Ų14459.8 Ų59.867%0.67331%0.313SS*.THydrogen-bonded Turntrans-56.7-27.4177-63.9-179.48.300112.9L509 D510 A511L509-Q513 PolarHBondContact O-N 3.05Å; D510-Q513 WeakPolarHBondContact O-CB 3.33Å; D510-Q513 PolarHBondContact O-N 3.48Å; A511-Q513 VanDerWaalsContact C-N 3.26Å; A511-Q513 PolarHBondContact O-N 2.87Å
514N86.2Confident89.9Confident131 Ų13155.4 Ų55.470%0.70129%0.293SS*.THydrogen-bonded Turntrans-81.1-16.1178.8-57.6-57.8000113.8A511 Y512A511-N514 WeakPolarHBondContact O-CB 3.46Å; A511-N514 PolarHBondContact O-N 3.01Å; A511-N514 VanDerWaalsContact O-N 3.13Å; A511-N514 PolarHBondContact O-ND2 3.33Å; Y512-N514 PolarHBondContact O-N 3Å
515V89.9Confident90.2Very high6 Ų657.5 Ų57.54%0.03630%0.304CS..THydrogen-bonded Turntrans-121.9-9.9-172.8-60.10000113.7L286 A289 L290 H293 Y512 Q517 L518L286-V515 HydrophobicContact CD1-CG1 3.96Å; A289-V515 HydrophobicContact CB-CG2 4.28Å; L290-V515 HydrophobicContact CD2-CB 3.9Å; L290-V515 HydrophobicContact CD2-CG1 3.66Å; L290-V515 HydrophobicContact CD2-CG2 4.31Å; L290-V515 HydrophobicContact CG-CG1 4.09Å; H293-V515 HydrophobicContact CB-CG2 4.39Å; H293-V515 PolarHBondContact NE2-O 2.82Å; Y512-V515 HydrophobicContact CD2-CG2 4.25Å; Y512-V515 WeakPolarHBondContact O-CG2 3.08Å; Y512-V515 PolarHBondContact O-N 3.07Å; V515-Q517 PolarHBondContact O-N 2.74Å; V515-L518 HydrophobicContact CB-CD1 3.95Å; V515-L518 HydrophobicContact CB-CG 4.49Å; V515-L518 HydrophobicContact CG1-CD1 4.11Å; V515-L518 WeakPolarHBondContact O-CB 3.47Å; V515-L518 WeakPolarHBondContact O-CG 3.3Å; V515-L518 PolarHBondContact O-N 2.84Å
516A87Confident90.5Very high26 Ų2661.8 Ų61.822%0.21532%0.316CS..THydrogen-bonded Turntrans-58.8-16.6-174.900000115.8H293 Y512H293-A516 PolarHBondContact CE1-O 3.36Å; H293-A516 VanDerWaalsContact CE1-O 3.28Å; Y512-A516 HydrophobicContact CD1-CB 4.08Å; Y512-A516 HydrophobicContact CE1-CB 3.54Å; Y512-A516 HydrophobicContact CE2-CB 4.15Å; Y512-A516 WeakPolarHBondContact O-CB 3.2Å; Y512-A516 PolarHBondContact O-N 3.23Å
517Q87.6Confident90.9Very high156 Ų15658.2 Ų58.273%0.72929%0.293SS*.THydrogen-bonded Turntrans-100.4-2.4180-59.8-62-40.400113.2V515V515-Q517 PolarHBondContact O-N 2.74Å
518L89.6Confident91.2Very high53 Ų5354 Ų5428%0.27728%0.277SS..  trans-72.2142.5-179.6-63.1179.5000110.3L290 H293 V515 D522 A523 R526L290-L518 HydrophobicContact CD2-CD1 4.21Å; H293-L518 PolarHBondContact NE2-O 3.44Å; V515-L518 HydrophobicContact CB-CD1 3.95Å; V515-L518 HydrophobicContact CB-CG 4.49Å; V515-L518 HydrophobicContact CG1-CD1 4.11Å; V515-L518 WeakPolarHBondContact O-CB 3.47Å; V515-L518 WeakPolarHBondContact O-CG 3.3Å; V515-L518 PolarHBondContact O-N 2.84Å; L518-D522 HydrophobicContact CB-CB 4.18Å; L518-D522 HydrophobicContact CD2-CB 4.16Å; L518-A523 HydrophobicContact CB-CB 4.11Å; L518-A523 HydrophobicContact CD1-CB 4.41Å; L518-R526 HydrophobicContact CD1-CB 4.18Å; L518-R526 HydrophobicContact CD1-CG 4.33Å
519S91.3Very high91.4Very high48 Ų4858.5 Ų58.534%0.33630%0.298SS..  trans-63.5165.2164.471.80000110.5T521 D522 A523S519-T521 VanDerWaalsContact C-N 3.28Å; S519-T521 PolarHBondContact O-N 3.34Å; S519-D522 PolarHBondContact O-N 3.06Å; S519-D522 WeakPolarHBondContact OG-CB 3.38Å; S519-D522 PolarHBondContact OG-N 3.2Å; S519-D522 PolarHBondContact OG-OD2 3.27Å; S519-A523 WeakPolarHBondContact O-CB 3.44Å; S519-A523 PolarHBondContact O-N 3.18Å
520L90.4Very high91.6Very high23 Ų2356.1 Ų56.112%0.1229%0.285CS..Hα-helixtrans-54.2-48174.9178.660.4000111.3I294 V297 A298 A523 L524I294-L520 HydrophobicContact CB-CD1 4.41Å; I294-L520 HydrophobicContact CG2-CD1 3.86Å; V297-L520 HydrophobicContact CG1-CB 3.9Å; A298-L520 HydrophobicContact CB-CD1 4.33Å; L520-A523 PolarHBondContact O-N 2.96Å; L520-L524 HydrophobicContact CD1-CD1 4.42Å; L520-L524 HydrophobicContact CG-CD1 4.26Å; L520-L524 WeakPolarHBondContact O-CG 3.11Å; L520-L524 PolarHBondContact O-N 2.82Å
521T91.3Very high92Very high56 Ų5651.1 Ų51.134%0.34426%0.259SS..Hα-helixtrans-61.5-47.1178.9-62.40000112P254 L261 S519 A523 L524 M525P254-T521 HydrophobicContact CB-CG2 3.34Å; P254-T521 HydrophobicContact CG-CG2 3.56Å; L261-T521 HydrophobicContact CD2-CG2 4.49Å; S519-T521 VanDerWaalsContact C-N 3.28Å; S519-T521 PolarHBondContact O-N 3.34Å; T521-A523 VanDerWaalsContact C-N 3.3Å; T521-A523 PolarHBondContact O-N 2.86Å; T521-L524 PolarHBondContact O-N 3Å; T521-M525 HydrophobicContact CG2-CG 4.45Å; T521-M525 WeakPolarHBondContact O-CB 3.48Å; T521-M525 WeakPolarHBondContact O-CG 3.5Å; T521-M525 PolarHBondContact O-N 3.37Å
522D92.5Very high92.2Very high86 Ų8654.2 Ų54.246%0.4627%0.271SS..Hα-helixtrans-66.5-35.5-179.7-65-41.6000111.6L518 S519 M525 R526L518-D522 HydrophobicContact CB-CB 4.18Å; L518-D522 HydrophobicContact CD2-CB 4.16Å; S519-D522 PolarHBondContact O-N 3.06Å; S519-D522 WeakPolarHBondContact OG-CB 3.38Å; S519-D522 PolarHBondContact OG-N 3.2Å; S519-D522 PolarHBondContact OG-OD2 3.27Å; D522-M525 PolarHBondContact O-N 3.26Å; D522-R526 WeakPolarHBondContact O-CB 3.27Å; D522-R526 PolarHBondContact O-N 3Å
523A94.7Very high92.2Very high0 Ų055.2 Ų55.20%029%0.287CS..Hα-helixtrans-65.5-43.1175.500000111.7L290 I294 L518 S519 L520 T521 R526 F527L290-A523 HydrophobicContact CD2-CB 4.33Å; I294-A523 HydrophobicContact CD1-CB 4.27Å; I294-A523 HydrophobicContact CG1-CB 3.65Å; L518-A523 HydrophobicContact CB-CB 4.11Å; L518-A523 HydrophobicContact CD1-CB 4.41Å; S519-A523 WeakPolarHBondContact O-CB 3.44Å; S519-A523 PolarHBondContact O-N 3.18Å; L520-A523 PolarHBondContact O-N 2.96Å; T521-A523 VanDerWaalsContact C-N 3.3Å; T521-A523 PolarHBondContact O-N 2.86Å; A523-R526 PolarHBondContact O-N 3.27Å; A523-F527 WeakPolarHBondContact O-CB 3.44Å; A523-F527 PolarHBondContact O-N 3.03Å
524L95.3Very high92.4Very high8 Ų848.6 Ų48.64%0.04226%0.257CS..Hα-helixtrans-61.2-49.6173.7-71.6169.3000111.5T194 L261 Y265 I294 L520 T521 R526 F527 L528T194-L524 HydrophobicContact CG2-CD1 4.48Å; T194-L524 HydrophobicContact CG2-CD2 3.82Å; L261-L524 HydrophobicContact CD2-CB 4.28Å; L261-L524 HydrophobicContact CD2-CD1 4.22Å; L261-L524 HydrophobicContact CG-CB 4.35Å; L261-L524 HydrophobicContact CG-CD1 4.42Å; Y265-L524 HydrophobicContact CD1-CD2 3.55Å; Y265-L524 HydrophobicContact CD2-CD2 3.58Å; Y265-L524 HydrophobicContact CE1-CD2 4.01Å; Y265-L524 HydrophobicContact CE2-CD2 4.05Å; Y265-L524 HydrophobicContact CG-CD2 3.28Å; I294-L524 HydrophobicContact CD1-CD2 3.95Å; I294-L524 HydrophobicContact CD1-CG 4.41Å; I294-L524 HydrophobicContact CG1-CD2 4.44Å; I294-L524 HydrophobicContact CG2-CD2 4.14Å; L520-L524 HydrophobicContact CD1-CD1 4.42Å; L520-L524 HydrophobicContact CG-CD1 4.26Å; L520-L524 WeakPolarHBondContact O-CG 3.11Å; L520-L524 PolarHBondContact O-N 2.82Å; T521-L524 PolarHBondContact O-N 3Å; L524-R526 VanDerWaalsContact C-N 3.29Å; L524-R526 PolarHBondContact O-N 2.87Å; L524-F527 WeakPolarHBondContact O-CB 3.37Å; L524-F527 PolarHBondContact O-N 3.33Å; L524-L528 WeakPolarHBondContact O-CG 3.31Å; L524-L528 PolarHBondContact O-N 2.81Å
525M93.8Very high92.3Very high44 Ų4447.2 Ų47.222%0.21725%0.254CS..Hα-helixtrans-60.9-40.6177.6-71.7-62.5-73.700111.3I252 P254 L261 T521 D522 L528 Q529I252-M525 HydrophobicContact CG2-CE 4.19Å; I252-M525 HydrophobicContact CG2-SD 3.89Å; P254-M525 HydrophobicContact CG-CG 4.44Å; P254-M525 HydrophobicContact CG-SD 4.49Å; L261-M525 HydrophobicContact CD1-CG 4.46Å; L261-M525 HydrophobicContact CD1-SD 3.57Å; L261-M525 VanDerWaalsContact CD1-SD 3.57Å; L261-M525 HydrophobicContact CD2-SD 4.42Å; T521-M525 HydrophobicContact CG2-CG 4.45Å; T521-M525 WeakPolarHBondContact O-CB 3.48Å; T521-M525 WeakPolarHBondContact O-CG 3.5Å; T521-M525 PolarHBondContact O-N 3.37Å; D522-M525 PolarHBondContact O-N 3.26Å; M525-L528 PolarHBondContact O-N 2.97Å; M525-Q529 WeakPolarHBondContact O-CB 3.12Å; M525-Q529 VanDerWaalsContact O-CG 3.24Å; M525-Q529 WeakPolarHBondContact O-CG 3.38Å; M525-Q529 PolarHBondContact O-N 2.86Å
526R95.1Very high92.1Very high123 Ų12349.4 Ų49.446%0.46427%0.266SS..Hα-helixtrans-65.7-41.7177.9-171.258.5173.5177.5-1112L290 L518 D522 A523 L524 L528 Q529 I530L290-R526 HydrophobicContact CD1-CG 4.43Å; L290-R526 HydrophobicContact CD2-CB 4.39Å; L290-R526 HydrophobicContact CD2-CG 4.43Å; L518-R526 HydrophobicContact CD1-CB 4.18Å; L518-R526 HydrophobicContact CD1-CG 4.33Å; D522-R526 WeakPolarHBondContact O-CB 3.27Å; D522-R526 PolarHBondContact O-N 3Å; A523-R526 PolarHBondContact O-N 3.27Å; L524-R526 VanDerWaalsContact C-N 3.29Å; L524-R526 PolarHBondContact O-N 2.87Å; R526-L528 VanDerWaalsContact C-N 3.33Å; R526-L528 PolarHBondContact O-N 3.08Å; R526-Q529 PolarHBondContact O-N 2.94Å; R526-I530 HydrophobicContact CG-CD1 4.04Å; R526-I530 WeakPolarHBondContact O-CD1 3.38Å; R526-I530 VanDerWaalsContact O-CG1 3.29Å; R526-I530 WeakPolarHBondContact O-CG1 3.28Å; R526-I530 PolarHBondContact O-N 3.23Å
527F97.7Very high92.3Very high0 Ų049.8 Ų49.80%026%0.263CS..Hα-helixtrans-56.6-49.3173.6-171.3-75000110.7Y265 A268 R269 I272 F287 L290 Q291 A523 L524 Q529 I530 W531Y265-F527 HydrophobicContact CD2-CB 4.16Å; Y265-F527 AromaticContact CD2-CD1 3.75Å; Y265-F527 HydrophobicContact CD2-CD1 3.75Å; Y265-F527 HydrophobicContact CD2-CD2 4.34Å; Y265-F527 HydrophobicContact CD2-CE1 4.25Å; Y265-F527 AromaticContact CD2-CG 3.82Å; Y265-F527 HydrophobicContact CD2-CG 3.82Å; Y265-F527 HydrophobicContact CE2-CB 4.22Å; Y265-F527 AromaticContact CE2-CD1 3.94Å; Y265-F527 HydrophobicContact CE2-CD1 3.94Å; Y265-F527 AromaticContact CE2-CD2 3.73Å; Y265-F527 HydrophobicContact CE2-CD2 3.73Å; Y265-F527 HydrophobicContact CE2-CE1 4.26Å; Y265-F527 HydrophobicContact CE2-CE2 4.05Å; Y265-F527 AromaticContact CE2-CG 3.69Å; Y265-F527 HydrophobicContact CE2-CG 3.69Å; Y265-F527 HydrophobicContact CE2-CZ 4.32Å; A268-F527 HydrophobicContact CB-CD1 4.31Å; A268-F527 HydrophobicContact CB-CE1 3.86Å; R269-F527 HydrophobicContact CB-CZ 4.31Å; I272-F527 HydrophobicContact CG1-CZ 4.43Å; F287-F527 HydrophobicContact CB-CE2 3.99Å; F287-F527 HydrophobicContact CB-CZ 4.48Å; F287-F527 HydrophobicContact CD1-CD1 4.29Å; F287-F527 AromaticContact CD1-CD2 3.65Å; F287-F527 HydrophobicContact CD1-CD2 3.65Å; F287-F527 AromaticContact CD1-CE1 4Å; F287-F527 HydrophobicContact CD1-CE1 4Å; F287-F527 AromaticContact CD1-CE2 3.32Å; F287-F527 HydrophobicContact CD1-CE2 3.32Å; F287-F527 HydrophobicContact CD1-CG 4.12Å; F287-F527 AromaticContact CD1-CZ 3.49Å; F287-F527 HydrophobicContact CD1-CZ 3.49Å; F287-F527 VanDerWaalsContact CD1-CZ 3.49Å; F287-F527 HydrophobicContact CE1-CD1 4.19Å; F287-F527 HydrophobicContact CE1-CD2 4.3Å; F287-F527 AromaticContact CE1-CE1 4Å; F287-F527 HydrophobicContact CE1-CE1 4Å; F287-F527 HydrophobicContact CE1-CE2 4.13Å; F287-F527 HydrophobicContact CE1-CG 4.32Å; F287-F527 AromaticContact CE1-CZ 3.96Å; F287-F527 HydrophobicContact CE1-CZ 3.96Å; F287-F527 HydrophobicContact CG-CE2 4.05Å; F287-F527 HydrophobicContact CG-CZ 4.23Å; L290-F527 HydrophobicContact CB-CD2 3.92Å; L290-F527 HydrophobicContact CD1-CB 4.2Å; L290-F527 HydrophobicContact CD1-CD2 4.3Å; Q291-F527 HydrophobicContact CG-CE2 3.84Å; A523-F527 WeakPolarHBondContact O-CB 3.44Å; A523-F527 PolarHBondContact O-N 3.03Å; L524-F527 WeakPolarHBondContact O-CB 3.37Å; L524-F527 PolarHBondContact O-N 3.33Å; F527-Q529 PolarHBondContact O-N 2.73Å; F527-I530 PolarHBondContact O-N 3.19Å; F527-W531 WeakPolarHBondContact O-CB 3.4Å; F527-W531 PolarHBondContact O-N 3.11Å
528L96.4Very high92.3Very high3 Ų342.4 Ų42.42%0.01623%0.229CC..Hα-helixtrans-65.3-38.7179.9-68.4178000112.8L261 L264 A268 L524 M525 R526 W531 Q532L261-L528 HydrophobicContact CD1-CD1 3.47Å; L261-L528 VanDerWaalsContact CD1-CD1 3.47Å; L264-L528 HydrophobicContact CB-CD1 4.44Å; L264-L528 HydrophobicContact CD2-CD1 3.87Å; L264-L528 HydrophobicContact CD2-CD2 4.41Å; L264-L528 HydrophobicContact CG-CD1 4Å; L264-L528 HydrophobicContact CG-CD2 3.87Å; A268-L528 HydrophobicContact CB-CD2 3.77Å; L524-L528 WeakPolarHBondContact O-CG 3.31Å; L524-L528 PolarHBondContact O-N 2.81Å; M525-L528 PolarHBondContact O-N 2.97Å; R526-L528 VanDerWaalsContact C-N 3.33Å; R526-L528 PolarHBondContact O-N 3.08Å; L528-W531 HydrophobicContact CD2-CE3 3.92Å; L528-W531 HydrophobicContact CD2-CZ3 4.29Å; L528-W531 PolarHBondContact O-N 3.5Å; L528-Q532 WeakPolarHBondContact O-CB 3.39Å; L528-Q532 WeakPolarHBondContact O-CG 3.36Å; L528-Q532 PolarHBondContact O-N 3.02Å
529Q95Very high92.4Very high95 Ų9540.8 Ų40.844%0.44422%0.22SC..Hα-helixtrans-61.9-43.3175.3-75.5170.72.900112.2M525 R526 F527 Q532 A533M525-Q529 WeakPolarHBondContact O-CB 3.12Å; M525-Q529 VanDerWaalsContact O-CG 3.24Å; M525-Q529 WeakPolarHBondContact O-CG 3.38Å; M525-Q529 PolarHBondContact O-N 2.86Å; R526-Q529 PolarHBondContact O-N 2.94Å; F527-Q529 PolarHBondContact O-N 2.73Å; Q529-Q532 PolarHBondContact O-N 3.28Å; Q529-A533 PolarHBondContact O-N 3.26Å; Q529-A533 VanDerWaalsContact O-N 3.13Å
530I94.8Very high92.6Very high19 Ų1938.6 Ų38.610%0.09721%0.205CC..Hα-helixtrans-66.6-42.6177.5-63.2159.1000109.7L286 F287 L290 R526 F527 Q532 A533 L534L286-I530 HydrophobicContact CD2-CD1 3.51Å; L286-I530 HydrophobicContact CD2-CG1 4.43Å; L286-I530 HydrophobicContact CG-CD1 3.94Å; F287-I530 HydrophobicContact CE1-CB 4Å; F287-I530 HydrophobicContact CE1-CG2 3.8Å; F287-I530 HydrophobicContact CE2-CG2 4.15Å; F287-I530 HydrophobicContact CZ-CB 4.15Å; F287-I530 HydrophobicContact CZ-CG2 3.54Å; L290-I530 HydrophobicContact CD1-CD1 3.6Å; R526-I530 HydrophobicContact CG-CD1 4.04Å; R526-I530 WeakPolarHBondContact O-CD1 3.38Å; R526-I530 VanDerWaalsContact O-CG1 3.29Å; R526-I530 WeakPolarHBondContact O-CG1 3.28Å; R526-I530 PolarHBondContact O-N 3.23Å; F527-I530 PolarHBondContact O-N 3.19Å; I530-Q532 VanDerWaalsContact C-N 3.33Å; I530-Q532 PolarHBondContact O-N 2.71Å; I530-A533 WeakPolarHBondContact O-CB 3.48Å; I530-A533 PolarHBondContact O-N 2.65Å; I530-A533 VanDerWaalsContact O-N 3.11Å; I530-L534 PolarHBondContact O-N 2.89Å
531W96.2Very high92.7Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-59.1-42.1175.3176.862.2000112.9Y247 F249 L264 A268 I277 F287 F527 L528 A533 L534 F537Y247-W531 AromaticContact CD1-CH2 3.88Å; Y247-W531 HydrophobicContact CD1-CH2 3.88Å; Y247-W531 HydrophobicContact CD1-CZ2 4.06Å; Y247-W531 AromaticContact CE1-CH2 3.57Å; Y247-W531 HydrophobicContact CE1-CH2 3.57Å; Y247-W531 AromaticContact CE1-CZ2 3.43Å; Y247-W531 HydrophobicContact CE1-CZ2 3.43Å; Y247-W531 VanDerWaalsContact CE1-CZ2 3.43Å; F249-W531 HydrophobicContact CE2-CH2 4.26Å; F249-W531 AromaticContact CE2-CZ3 3.67Å; F249-W531 HydrophobicContact CE2-CZ3 3.67Å; F249-W531 HydrophobicContact CZ-CH2 4.1Å; F249-W531 AromaticContact CZ-CZ3 3.92Å; F249-W531 HydrophobicContact CZ-CZ3 3.92Å; L264-W531 HydrophobicContact CD1-CH2 4.26Å; L264-W531 HydrophobicContact CD1-CZ3 3.92Å; A268-W531 HydrophobicContact CB-CB 4.47Å; A268-W531 HydrophobicContact CB-CD2 3.48Å; A268-W531 VanDerWaalsContact CB-CD2 3.48Å; A268-W531 HydrophobicContact CB-CE3 3.67Å; A268-W531 HydrophobicContact CB-CG 3.85Å; A268-W531 HydrophobicContact CB-CH2 4.27Å; A268-W531 HydrophobicContact CB-CZ2 4.11Å; A268-W531 HydrophobicContact CB-CZ3 4.04Å; I277-W531 HydrophobicContact CD1-CZ2 4.31Å; F287-W531 HydrophobicContact CE1-CB 4.28Å; F287-W531 HydrophobicContact CZ-CB 4.26Å; F527-W531 WeakPolarHBondContact O-CB 3.4Å; F527-W531 PolarHBondContact O-N 3.11Å; L528-W531 HydrophobicContact CD2-CE3 3.92Å; L528-W531 HydrophobicContact CD2-CZ3 4.29Å; L528-W531 PolarHBondContact O-N 3.5Å; W531-A533 VanDerWaalsContact C-N 3.26Å; W531-A533 PolarHBondContact O-N 3.45Å; W531-L534 WeakPolarHBondContact O-CB 3.48Å; W531-L534 PolarHBondContact O-N 2.81Å; W531-F537 AromaticContact CD2-CD2 3.96Å; W531-F537 HydrophobicContact CD2-CD2 3.96Å; W531-F537 AromaticContact CD2-CE2 3.83Å; W531-F537 HydrophobicContact CD2-CE2 3.83Å; W531-F537 AromaticContact CE2-CD2 3.99Å; W531-F537 AromaticContact CE2-CE2 3.98Å; W531-F537 HydrophobicContact CE3-CD2 4.18Å; W531-F537 AromaticContact CE3-CE2 3.58Å; W531-F537 HydrophobicContact CE3-CE2 3.58Å; W531-F537 HydrophobicContact CG-CD2 4.48Å; W531-F537 HydrophobicContact CH2-CD2 4.46Å; W531-F537 AromaticContact CH2-CE2 3.7Å; W531-F537 HydrophobicContact CH2-CE2 3.7Å; W531-F537 HydrophobicContact CZ2-CD2 4.25Å; W531-F537 AromaticContact CZ2-CE2 3.94Å; W531-F537 HydrophobicContact CZ2-CE2 3.94Å; W531-F537 HydrophobicContact CZ3-CD2 4.44Å; W531-F537 AromaticContact CZ3-CE2 3.53Å; W531-F537 HydrophobicContact CZ3-CE2 3.53Å; W531-F537 HydrophobicContact CZ3-CZ 4.35Å; W531-F537 WeakPolarHBondContact O-CD2 3.35Å
532Q93.4Very high92.9Very high79 Ų7935.6 Ų35.637%0.36919%0.186SC..Hα-helixtrans-66.9-24.3175.7-72.8176.128.700113.8L528 Q529 I530 L534 F537L528-Q532 WeakPolarHBondContact O-CB 3.39Å; L528-Q532 WeakPolarHBondContact O-CG 3.36Å; L528-Q532 PolarHBondContact O-N 3.02Å; Q529-Q532 PolarHBondContact O-N 3.28Å; I530-Q532 VanDerWaalsContact C-N 3.33Å; I530-Q532 PolarHBondContact O-N 2.71Å; Q532-L534 VanDerWaalsContact C-N 3.33Å; Q532-F537 HydrophobicContact CB-CD1 4.37Å; Q532-F537 HydrophobicContact CB-CD2 4.45Å; Q532-F537 HydrophobicContact CB-CE1 4.26Å; Q532-F537 HydrophobicContact CB-CE2 4.32Å; Q532-F537 HydrophobicContact CB-CG 4.48Å; Q532-F537 HydrophobicContact CB-CZ 4.26Å; Q532-F537 HydrophobicContact CG-CD1 4.5Å; Q532-F537 HydrophobicContact CG-CD2 4.28Å; Q532-F537 HydrophobicContact CG-CE1 3.96Å; Q532-F537 HydrophobicContact CG-CE2 3.68Å; Q532-F537 HydrophobicContact CG-CZ 3.54Å
533A91Very high93Very high60 Ų6031.8 Ų31.850%0.49617%0.166SC..THydrogen-bonded Turntrans-82.1-10.1178.800000113.4Q529 I530 W531Q529-A533 PolarHBondContact O-N 3.26Å; Q529-A533 VanDerWaalsContact O-N 3.13Å; I530-A533 WeakPolarHBondContact O-CB 3.48Å; I530-A533 PolarHBondContact O-N 2.65Å; I530-A533 VanDerWaalsContact O-N 3.11Å; W531-A533 VanDerWaalsContact C-N 3.26Å; W531-A533 PolarHBondContact O-N 3.45Å
534L90.9Very high93.1Very high5 Ų531.8 Ų31.83%0.02617%0.166CC..SBendtrans-65.2144.2179.5-65176.2000111.3I272 I277 C279 F287 I530 W531 Q532 D536 F537I272-L534 HydrophobicContact CD1-CD1 3.58Å; I277-L534 HydrophobicContact CG2-CB 4.07Å; I277-L534 HydrophobicContact CG2-CD1 3.65Å; C279-L534 HydrophobicContact CB-CD1 4.18Å; C279-L534 HydrophobicContact CB-CD2 3.76Å; F287-L534 HydrophobicContact CE2-CD1 4.13Å; F287-L534 HydrophobicContact CZ-CD1 4.11Å; I530-L534 PolarHBondContact O-N 2.89Å; W531-L534 WeakPolarHBondContact O-CB 3.48Å; W531-L534 PolarHBondContact O-N 2.81Å; Q532-L534 VanDerWaalsContact C-N 3.33Å; L534-D536 VanDerWaalsContact C-N 3.27Å; L534-D536 PolarHBondContact O-N 3.46Å; L534-F537 WeakPolarHBondContact O-CB 3.38Å; L534-F537 PolarHBondContact O-N 3.35Å
535P84.4Confident93Very high101 Ų10137 Ų3766%0.65619%0.185SC*.THydrogen-bonded Turntrans-57-37.6-174.5-2735000114.6F537P535-F537 VanDerWaalsContact C-N 3.34Å
536D86.1Confident93.1Very high53 Ų5335.6 Ų35.628%0.28318%0.178SC..THydrogen-bonded Turntrans-94.18.5-176.5-67.8-10.6000113.1I277 L534 G538 L539I277-D536 HydrophobicContact CG2-CB 4.42Å; L534-D536 VanDerWaalsContact C-N 3.27Å; L534-D536 PolarHBondContact O-N 3.46Å; D536-G538 PolarHBondContact O-N 3.49Å; D536-L539 HydrophobicContact CB-CD1 4.1Å; D536-L539 PolarHBondContact O-N 3.14Å
537F90.7Very high92.9Very high33 Ų3337.1 Ų37.115%0.14519%0.188CC..THydrogen-bonded Turntrans-57.4128.1178.5174.5-98.3000111.5Y247 F249 W531 Q532 L534 P535 L539Y247-F537 HydrophobicContact CD1-CD2 4.02Å; Y247-F537 HydrophobicContact CD1-CE1 4.48Å; Y247-F537 AromaticContact CD1-CE2 3.49Å; Y247-F537 HydrophobicContact CD1-CE2 3.49Å; Y247-F537 VanDerWaalsContact CD1-CE2 3.49Å; Y247-F537 AromaticContact CD1-CZ 3.73Å; Y247-F537 HydrophobicContact CD1-CZ 3.73Å; Y247-F537 HydrophobicContact CE1-CE2 4.25Å; Y247-F537 HydrophobicContact CG-CE2 4.42Å; Y247-F537 HydrophobicContact CG-CZ 4.24Å; F249-F537 HydrophobicContact CD2-CZ 4.49Å; F249-F537 HydrophobicContact CE2-CE2 4.21Å; F249-F537 AromaticContact CE2-CZ 3.74Å; F249-F537 HydrophobicContact CE2-CZ 3.74Å; W531-F537 AromaticContact CD2-CD2 3.96Å; W531-F537 HydrophobicContact CD2-CD2 3.96Å; W531-F537 AromaticContact CD2-CE2 3.83Å; W531-F537 HydrophobicContact CD2-CE2 3.83Å; W531-F537 AromaticContact CE2-CD2 3.99Å; W531-F537 AromaticContact CE2-CE2 3.98Å; W531-F537 HydrophobicContact CE3-CD2 4.18Å; W531-F537 AromaticContact CE3-CE2 3.58Å; W531-F537 HydrophobicContact CE3-CE2 3.58Å; W531-F537 HydrophobicContact CG-CD2 4.48Å; W531-F537 HydrophobicContact CH2-CD2 4.46Å; W531-F537 AromaticContact CH2-CE2 3.7Å; W531-F537 HydrophobicContact CH2-CE2 3.7Å; W531-F537 HydrophobicContact CZ2-CD2 4.25Å; W531-F537 AromaticContact CZ2-CE2 3.94Å; W531-F537 HydrophobicContact CZ2-CE2 3.94Å; W531-F537 HydrophobicContact CZ3-CD2 4.44Å; W531-F537 AromaticContact CZ3-CE2 3.53Å; W531-F537 HydrophobicContact CZ3-CE2 3.53Å; W531-F537 HydrophobicContact CZ3-CZ 4.35Å; W531-F537 WeakPolarHBondContact O-CD2 3.35Å; Q532-F537 HydrophobicContact CB-CD1 4.37Å; Q532-F537 HydrophobicContact CB-CD2 4.45Å; Q532-F537 HydrophobicContact CB-CE1 4.26Å; Q532-F537 HydrophobicContact CB-CE2 4.32Å; Q532-F537 HydrophobicContact CB-CG 4.48Å; Q532-F537 HydrophobicContact CB-CZ 4.26Å; Q532-F537 HydrophobicContact CG-CD1 4.5Å; Q532-F537 HydrophobicContact CG-CD2 4.28Å; Q532-F537 HydrophobicContact CG-CE1 3.96Å; Q532-F537 HydrophobicContact CG-CE2 3.68Å; Q532-F537 HydrophobicContact CG-CZ 3.54Å; L534-F537 WeakPolarHBondContact O-CB 3.38Å; L534-F537 PolarHBondContact O-N 3.35Å; P535-F537 VanDerWaalsContact C-N 3.34Å; F537-L539 VanDerWaalsContact C-N 3.27Å; F537-L539 PolarHBondContact O-N 2.99Å
538G88.9Confident92.5Very high1 Ų141.2 Ų41.21%0.0123%0.23CC..THydrogen-bonded Turntrans7312.617700000115.3Y247 D536 Y622Y247-G538 VanDerWaalsContact CD1-CA 3.46Å; D536-G538 PolarHBondContact O-N 3.49Å; G538-Y622 PolarHBondContact O-OH 2.81Å
539L91.3Very high92.2Very high19 Ų1942.7 Ų42.710%0.09924%0.24CC..PPolyproline II helixtrans-81.6119.9171.2-68.8178.7000111.1D536 F537 Y541 A558 I563D536-L539 HydrophobicContact CB-CD1 4.1Å; D536-L539 PolarHBondContact O-N 3.14Å; F537-L539 VanDerWaalsContact C-N 3.27Å; F537-L539 PolarHBondContact O-N 2.99Å; L539-Y541 HydrophobicContact CB-CE1 4.22Å; L539-Y541 HydrophobicContact CB-CE2 4.2Å; L539-Y541 HydrophobicContact CD1-CE1 4.36Å; L539-Y541 WeakPolarHBondContact CD1-OH 3.43Å; L539-A558 HydrophobicContact CD2-CB 3.62Å; L539-I563 HydrophobicContact CD1-CD1 3.78Å; L539-I563 HydrophobicContact CD2-CD1 3.59Å; L539-I563 HydrophobicContact CD2-CG1 4.24Å; L539-I563 HydrophobicContact CG-CD1 4.36Å
540S94.5Very high91.8Very high3 Ų349.5 Ų49.52%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-100.9127.5167.2-65.90000110.1H219 G556 I557H219-S540 VanDerWaalsContact CE1-CA 3.49Å; H219-S540 WeakPolarHBondContact CE1-CA 3.5Å; H219-S540 WeakPolarHBondContact CE1-CB 3.49Å; H219-S540 PolarHBondContact CE1-OG 3.49Å; H219-S540 VanDerWaalsContact CE1-OG 3.23Å; S540-G556 CarbonylContact O-C 3.59Å; S540-G556 WeakPolarHBondContact O-CA 3.45Å; S540-I557 PolarHBondContact N-O 3.24Å; S540-I557 PolarHBondContact O-N 3.47Å
541Y93.3Very high91.7Very high15 Ų1556 Ų566%0.05929%0.289CS..EExtended strand (participates in β ladder)trans-101.2135.6-175-59-74.7000112V212 K215 S216 H219 L539 V554 I565V212-Y541 HydrophobicContact CG1-CD1 3.58Å; V212-Y541 HydrophobicContact CG1-CD2 4.43Å; V212-Y541 HydrophobicContact CG1-CE1 3.89Å; V212-Y541 HydrophobicContact CG1-CG 3.86Å; K215-Y541 HydrophobicContact CB-CD2 3.78Å; K215-Y541 HydrophobicContact CB-CE2 4.33Å; K215-Y541 HydrophobicContact CD-CD2 4.38Å; K215-Y541 HydrophobicContact CD-CE2 4.05Å; S216-Y541 VanDerWaalsContact CA-O 3.27Å; S216-Y541 WeakPolarHBondContact CA-O 3.29Å; S216-Y541 VanDerWaalsContact CB-O 3.28Å; S216-Y541 WeakPolarHBondContact CB-O 3.37Å; H219-Y541 PolarHBondContact CD2-N 2.71Å; H219-Y541 PolarHBondContact CD2-O 3.07Å; H219-Y541 PolarHBondContact NE2-N 2.82Å; L539-Y541 HydrophobicContact CB-CE1 4.22Å; L539-Y541 HydrophobicContact CB-CE2 4.2Å; L539-Y541 HydrophobicContact CD1-CE1 4.36Å; L539-Y541 WeakPolarHBondContact CD1-OH 3.43Å; Y541-V554 HydrophobicContact CD1-CG1 3.69Å; Y541-V554 HydrophobicContact CG-CG1 4.33Å; Y541-I565 HydrophobicContact CD1-CD1 4.16Å; Y541-I565 HydrophobicContact CE1-CD1 3.72Å
542V95.4Very high91.6Very high0 Ų058.4 Ų58.40%030%0.303CS..EExtended strand (participates in β ladder)trans-135.2131.5171.7-178.20000108.9V544 L555 I557 C607 A610 V615V542-V544 HydrophobicContact CB-CG1 4.43Å; V542-V544 HydrophobicContact CG1-CG1 4.02Å; V542-L555 PolarHBondContact N-O 2.53Å; V542-L555 PolarHBondContact O-N 2.85Å; V542-I557 HydrophobicContact CG2-CD1 4.19Å; V542-C607 HydrophobicContact CG1-CB 4.36Å; V542-A610 HydrophobicContact CG1-CB 4.04Å; V542-V615 HydrophobicContact CB-CG2 4.26Å; V542-V615 HydrophobicContact CG1-CG2 4.01Å; V542-V615 HydrophobicContact CG2-CG2 4.04Å
543V94.9Very high91.5Very high7 Ų755.1 Ų55.14%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-77.9126.3173.3-178.50000108.1V213 D552 E553 V554 L567 V608 T609V213-V543 HydrophobicContact CG1-CG2 4.24Å; V213-V543 HydrophobicContact CG2-CG2 4.43Å; V543-D552 HydrophobicContact CG1-CB 3.96Å; V543-E553 CarbonylContact C-O 3.59Å; V543-E553 WeakPolarHBondContact CA-O 3.4Å; V543-V554 HydrophobicContact CG2-CG2 4.18Å; V543-L567 HydrophobicContact CG1-CD1 4.47Å; V543-V608 HydrophobicContact CB-CB 4.28Å; V543-V608 HydrophobicContact CG1-CB 4.01Å; V543-V608 HydrophobicContact CG1-CG1 4.46Å; V543-V608 HydrophobicContact CG1-CG2 4.35Å; V543-V608 PolarHBondContact O-N 3.33Å; V543-T609 HydrophobicContact CB-CG2 3.7Å; V543-T609 HydrophobicContact CG2-CG2 3.64Å; V543-T609 PolarHBondContact N-OG1 2.9Å
544V95.3Very high91.7Very high0 Ų052.2 Ų52.20%026%0.263CS..EExtended strand (participates in β ladder)trans-131.9157.3-175.7-58.90000111V542 F546 E553 L555 F605 G606V542-V544 HydrophobicContact CB-CG1 4.43Å; V542-V544 HydrophobicContact CG1-CG1 4.02Å; V544-F546 HydrophobicContact CG2-CD2 4.19Å; V544-F546 HydrophobicContact CG2-CE2 3.67Å; V544-F546 HydrophobicContact CG2-CZ 3.99Å; V544-E553 PolarHBondContact N-O 3.23Å; V544-E553 PolarHBondContact O-N 3.46Å; V544-E553 VanDerWaalsContact O-O 3.05Å; V544-L555 HydrophobicContact CB-CB 4.49Å; V544-L555 HydrophobicContact CG1-CB 3.82Å; V544-L555 HydrophobicContact CG1-CD2 4.34Å; V544-L555 HydrophobicContact CG2-CB 3.81Å; V544-F605 HydrophobicContact CB-CB 4.21Å; V544-F605 HydrophobicContact CB-CD2 3.81Å; V544-F605 HydrophobicContact CB-CG 4.24Å; V544-F605 HydrophobicContact CG1-CD2 3.61Å; V544-F605 HydrophobicContact CG1-CE2 3.94Å; V544-F605 HydrophobicContact CG1-CG 4.44Å; V544-F605 HydrophobicContact CG2-CB 4.45Å; V544-F605 HydrophobicContact CG2-CD2 4.42Å; V544-F605 HydrophobicContact CG2-CG 4.48Å; V544-G606 CarbonylContact C-O 3.57Å; V544-G606 VanDerWaalsContact CA-O 3.28Å; V544-G606 WeakPolarHBondContact CA-O 3.35Å
545R95Very high91.9Very high118 Ų11852 Ų5245%0.44526%0.262SS..EExtended strand (participates in β ladder)trans-116.7109.3170.2-172.6171.1-65.1169.61.7109.7D552 F605 G606 V608R545-D552 IonicContact CZ-OD1 3.96Å; R545-D552 IonicContact NE-OD1 2.98Å; R545-D552 PolarHBondContact NE-OD1 3.04Å; R545-D552 IonicContact NH2-OD1 2.89Å; R545-D552 PolarHBondContact NH2-OD1 2.82Å; R545-D552 IonicContact NH2-OD2 3.84Å; R545-D552 PolarHBondContact NH2-OD2 3.16Å; R545-F605 CarbonylContact O-C 3.54Å; R545-F605 VanDerWaalsContact O-CA 3.22Å; R545-F605 WeakPolarHBondContact O-CA 3.49Å; R545-F605 WeakPolarHBondContact O-CB 3.33Å; R545-G606 PolarHBondContact N-O 3.49Å; R545-G606 PolarHBondContact O-N 2.91Å; R545-V608 HydrophobicContact CB-CG2 4.45Å
546F94.3Very high92.3Very high13 Ų1347.2 Ų47.26%0.05723%0.231CC..EExtended strand (participates in β ladder)trans-66.7143.2177.5-72.3-81.5000111.5V544 G548 S549 E553 L555 R564 W576 F605V544-F546 HydrophobicContact CG2-CD2 4.19Å; V544-F546 HydrophobicContact CG2-CE2 3.67Å; V544-F546 HydrophobicContact CG2-CZ 3.99Å; F546-G548 PolarHBondContact O-N 3.26Å; F546-S549 WeakPolarHBondContact O-CB 3.31Å; F546-S549 PolarHBondContact O-N 2.81Å; F546-E553 HydrophobicContact CD2-CB 4.24Å; F546-E553 HydrophobicContact CE2-CB 4.17Å; F546-L555 HydrophobicContact CZ-CD1 4.4Å; F546-R564 HydrophobicContact CE2-CB 4.4Å; F546-R564 HydrophobicContact CE2-CG 3.68Å; F546-R564 HydrophobicContact CZ-CB 4.19Å; F546-R564 HydrophobicContact CZ-CG 3.94Å; F546-W576 AromaticContact CE1-CH2 3.99Å; F546-W576 HydrophobicContact CE1-CH2 3.99Å; F546-W576 AromaticContact CZ-CH2 4Å; F546-W576 HydrophobicContact CZ-CH2 4Å; F546-W576 HydrophobicContact CZ-CZ3 4.4Å; F546-F605 HydrophobicContact CD1-CB 3.93Å; F546-F605 HydrophobicContact CD1-CD1 4.3Å; F546-F605 HydrophobicContact CE1-CB 4.26Å; F546-F605 AromaticContact CE1-CD1 3.95Å; F546-F605 HydrophobicContact CE1-CD1 3.95Å; F546-F605 HydrophobicContact CE1-CG 4.39Å; F546-F605 HydrophobicContact CG-CB 4.33Å
547K92.4Very high92.8Very high156 Ų15644.7 Ų44.768%0.67822%0.217SC*.THydrogen-bonded Turntrans-57.8125.7176.2-172.9175.9-179.6175.10109.8S549 A604K547-S549 VanDerWaalsContact C-N 3.27Å; K547-S549 PolarHBondContact O-N 3.14Å; K547-A604 HydrophobicContact CB-CB 4.01Å; K547-A604 WeakPolarHBondContact CB-O 3.37Å; K547-A604 HydrophobicContact CD-CB 4.11Å; K547-A604 PolarHBondContact N-O 3.07Å
548G88.2Confident92.9Very high86 Ų8643.1 Ų43.189%0.88721%0.211SC*.THydrogen-bonded Turntrans84.7-9.8-176.200000114.7F546F546-G548 PolarHBondContact O-N 3.26Å
549S89.3Confident93Very high33 Ų3344.7 Ų44.723%0.23122%0.221CC..  trans-87.9141169.4-170.40000110.5F546 K547 K551 E553F546-S549 WeakPolarHBondContact O-CB 3.31Å; F546-S549 PolarHBondContact O-N 2.81Å; K547-S549 VanDerWaalsContact C-N 3.27Å; K547-S549 PolarHBondContact O-N 3.14Å; S549-K551 PolarHBondContact OG-N 3.05Å; S549-K551 PolarHBondContact OG-O 3.23Å; S549-E553 PolarHBondContact OG-OE1 3.13Å
550R88.1Confident92.9Very high239 Ų23948 Ų4890%0.90224%0.239SC*.  trans-95-10.1170.5-66.2-173.8-179.4-175.20.3112.8
551K91.6Very high92.8Very high154 Ų15451.5 Ų51.567%0.6725%0.251SS*.SBendtrans-101143.5-178.1-64.6-175.1179.5-177.30109.6S549S549-K551 PolarHBondContact OG-N 3.05Å; S549-K551 PolarHBondContact OG-O 3.23Å
552D93.8Very high92.8Very high52 Ų5250.8 Ų50.828%0.27825%0.248SC..  trans-75.7144.2167.3-64.3-27.2000109.1V543 R545 L567V543-D552 HydrophobicContact CG1-CB 3.96Å; R545-D552 IonicContact CZ-OD1 3.96Å; R545-D552 IonicContact NE-OD1 2.98Å; R545-D552 PolarHBondContact NE-OD1 3.04Å; R545-D552 IonicContact NH2-OD1 2.89Å; R545-D552 PolarHBondContact NH2-OD1 2.82Å; R545-D552 IonicContact NH2-OD2 3.84Å; R545-D552 PolarHBondContact NH2-OD2 3.16Å; D552-L567 HydrophobicContact CB-CD1 4.13Å; D552-L567 WeakPolarHBondContact O-CD1 3.4Å
553E92.9Very high92.7Very high9 Ų951.1 Ų51.14%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-140.5171.1-177.2-66.5179.3-115.700108.6V543 V544 F546 S549 R564V543-E553 CarbonylContact C-O 3.59Å; V543-E553 WeakPolarHBondContact CA-O 3.4Å; V544-E553 PolarHBondContact N-O 3.23Å; V544-E553 PolarHBondContact O-N 3.46Å; V544-E553 VanDerWaalsContact O-O 3.05Å; F546-E553 HydrophobicContact CD2-CB 4.24Å; F546-E553 HydrophobicContact CE2-CB 4.17Å; S549-E553 PolarHBondContact OG-OE1 3.13Å; E553-R564 IonicContact OE1-CZ 3.4Å; E553-R564 IonicContact OE1-NE 2.76Å; E553-R564 IonicContact OE1-NH2 3.25Å; E553-R564 PolarHBondContact OE1-NH2 3Å; E553-R564 IonicContact OE2-CZ 2.74Å; E553-R564 IonicContact OE2-NE 2.66Å; E553-R564 PolarHBondContact OE2-NE 3.47Å; E553-R564 IonicContact OE2-NH2 2.71Å; E553-R564 PolarHBondContact OE2-NH2 3.29Å
554V93.6Very high92.6Very high0 Ų053.8 Ų53.80%026%0.26CS..EExtended strand (participates in β ladder)trans-107.8132.6178.3171.70000110.3V212 Y541 V543 I565 L567V212-V554 HydrophobicContact CG1-CB 4.35Å; V212-V554 HydrophobicContact CG1-CG1 3.83Å; V212-V554 HydrophobicContact CG1-CG2 4.12Å; Y541-V554 HydrophobicContact CD1-CG1 3.69Å; Y541-V554 HydrophobicContact CG-CG1 4.33Å; V543-V554 HydrophobicContact CG2-CG2 4.18Å; V554-I565 HydrophobicContact CB-CB 4.14Å; V554-I565 HydrophobicContact CG1-CD1 4.31Å; V554-I565 PolarHBondContact N-O 3.47Å; V554-I565 PolarHBondContact O-N 3.09Å; V554-L567 HydrophobicContact CG2-CD2 3.38Å; V554-L567 HydrophobicContact CG2-CG 3.98Å
555L95.5Very high92.2Very high0 Ų054.3 Ų54.30%026%0.262CS..EExtended strand (participates in β ladder)trans-97.8113.4165-17371.8000108.3V542 V544 F546 I557 L562 I563 W576 F605 V615V542-L555 PolarHBondContact N-O 2.53Å; V542-L555 PolarHBondContact O-N 2.85Å; V544-L555 HydrophobicContact CB-CB 4.49Å; V544-L555 HydrophobicContact CG1-CB 3.82Å; V544-L555 HydrophobicContact CG1-CD2 4.34Å; V544-L555 HydrophobicContact CG2-CB 3.81Å; F546-L555 HydrophobicContact CZ-CD1 4.4Å; L555-I557 HydrophobicContact CD2-CG1 4.29Å; L555-I557 HydrophobicContact CG-CG1 4.31Å; L555-L562 HydrophobicContact CD1-CB 4.21Å; L555-I563 CarbonylContact C-O 3.55Å; L555-I563 WeakPolarHBondContact CA-O 3.44Å; L555-W576 HydrophobicContact CD1-CZ3 4.28Å; L555-F605 HydrophobicContact CD2-CE1 4.03Å; L555-F605 HydrophobicContact CD2-CE2 3.73Å; L555-F605 HydrophobicContact CD2-CZ 3.42Å; L555-F605 VanDerWaalsContact CD2-CZ 3.42Å; L555-V615 HydrophobicContact CD2-CG1 3.99Å
556G94.2Very high91.6Very high0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-86.6129.5165.200000110S540 L562 I563S540-G556 CarbonylContact O-C 3.59Å; S540-G556 WeakPolarHBondContact O-CA 3.45Å; G556-L562 CarbonylContact O-C 3.58Å; G556-L562 WeakPolarHBondContact O-CA 3.43Å; G556-I563 PolarHBondContact N-O 2.84Å; G556-I563 PolarHBondContact O-N 2.87Å
557I96.1Very high91Very high0 Ų053.4 Ų53.40%027%0.267CS..EExtended strand (participates in β ladder)trans-111.3117178.7-50.2166.8000106.9S540 V542 L555 L562 Y578 V615 F618 Y622S540-I557 PolarHBondContact N-O 3.24Å; S540-I557 PolarHBondContact O-N 3.47Å; V542-I557 HydrophobicContact CG2-CD1 4.19Å; L555-I557 HydrophobicContact CD2-CG1 4.29Å; L555-I557 HydrophobicContact CG-CG1 4.31Å; I557-L562 HydrophobicContact CB-CD2 4.19Å; I557-L562 HydrophobicContact CG1-CD2 4.07Å; I557-L562 HydrophobicContact CG2-CD2 3.79Å; I557-Y578 WeakPolarHBondContact CG2-OH 3.45Å; I557-V615 HydrophobicContact CD1-CB 4.29Å; I557-V615 HydrophobicContact CD1-CG1 3.84Å; I557-V615 HydrophobicContact CD1-CG2 4.15Å; I557-F618 HydrophobicContact CD1-CB 4.04Å; I557-F618 HydrophobicContact CD1-CD2 4.34Å; I557-F618 HydrophobicContact CD1-CG 4.38Å; I557-F618 HydrophobicContact CG2-CB 3.99Å; I557-Y622 HydrophobicContact CG2-CD2 4.11Å; I557-Y622 HydrophobicContact CG2-CE2 4.05Å
558A92.3Very high90.1Very high0 Ų049.5 Ų49.50%027%0.271CS..EExtended strand (participates in β ladder)trans-115.8167.817800000110.3L539 N560 R561L539-A558 HydrophobicContact CD2-CB 3.62Å; A558-N560 PolarHBondContact O-N 3.4Å; A558-R561 WeakPolarHBondContact CA-O 3.26Å; A558-R561 HydrophobicContact CB-CG 3.79Å; A558-R561 WeakPolarHBondContact CB-O 3.36Å; A558-R561 PolarHBondContact N-O 3.46Å; A558-R561 PolarHBondContact O-N 2.89Å
559P90.8Very high89.4Confident34 Ų3450.4 Ų50.422%0.22126%0.259CS..THydrogen-bonded Turntrans-54.3-30.1-179.9-2935.1000116.2Y247 S248 Y622Y247-P559 WeakPolarHBondContact O-CG 3.5Å; S248-P559 WeakPolarHBondContact OG-CB 3.46Å; P559-Y622 VanDerWaalsContact CA-CD1 3.49Å; P559-Y622 HydrophobicContact CB-CD1 3.94Å; P559-Y622 HydrophobicContact CB-CE1 3.93Å; P559-Y622 HydrophobicContact CG-CD1 4.21Å; P559-Y622 HydrophobicContact CG-CE1 3.67Å
560N89.6Confident88.6Confident90 Ų9051 Ų5148%0.48127%0.27SS..THydrogen-bonded Turntrans-125.3-1.2-173.364.2-3.1000114.4A558 Y578A558-N560 PolarHBondContact O-N 3.4Å; N560-Y578 PolarHBondContact O-N 3.2Å
561R92Very high88Confident75 Ų7544.7 Ų44.728%0.28325%0.254SS..EExtended strand (participates in β ladder)trans-159.4154.3-171.467.3-172.1-177.5-85.74.2112.7A558 I563 T575 W576A558-R561 WeakPolarHBondContact CA-O 3.26Å; A558-R561 HydrophobicContact CB-CG 3.79Å; A558-R561 WeakPolarHBondContact CB-O 3.36Å; A558-R561 PolarHBondContact N-O 3.46Å; A558-R561 PolarHBondContact O-N 2.89Å; R561-I563 HydrophobicContact CG-CG2 4.27Å; R561-T575 HydrophobicContact CB-CG2 4.13Å; R561-T575 HydrophobicContact CG-CG2 4.39Å; R561-W576 CarbonylContact C-O 3.57Å; R561-W576 WeakPolarHBondContact CA-O 3.37Å; R561-W576 VanDerWaalsContact CB-O 3.31Å; R561-W576 WeakPolarHBondContact CB-O 3.03Å
562L94.6Very high87.6Confident0 Ų041.3 Ų41.30%025%0.246CC..EExtended strand (participates in β ladder)trans-102.5140.8162.6-56.7-179.8000108.9L555 G556 I557 T575 W576 Y578 M581 I595 F597 I619L555-L562 HydrophobicContact CD1-CB 4.21Å; G556-L562 CarbonylContact O-C 3.58Å; G556-L562 WeakPolarHBondContact O-CA 3.43Å; I557-L562 HydrophobicContact CB-CD2 4.19Å; I557-L562 HydrophobicContact CG1-CD2 4.07Å; I557-L562 HydrophobicContact CG2-CD2 3.79Å; L562-T575 CarbonylContact O-C 3.56Å; L562-T575 WeakPolarHBondContact O-CA 3.3Å; L562-W576 HydrophobicContact CB-CB 4.45Å; L562-W576 HydrophobicContact CB-CE3 4.01Å; L562-W576 PolarHBondContact N-O 2.79Å; L562-W576 PolarHBondContact O-N 2.84Å; L562-Y578 HydrophobicContact CD2-CE1 3.72Å; L562-Y578 HydrophobicContact CG-CE1 3.76Å; L562-M581 HydrophobicContact CD1-CE 4.28Å; L562-I595 HydrophobicContact CD1-CD1 3.53Å; L562-F597 HydrophobicContact CD1-CZ 4.36Å; L562-I619 HydrophobicContact CD1-CD1 3.99Å; L562-I619 HydrophobicContact CD2-CD1 4.26Å; L562-I619 HydrophobicContact CD2-CG1 4.3Å
563I91.9Very high87.2Confident8 Ų842.8 Ų42.84%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-125.1135.4175.360.5175.6000110L539 L555 G556 R561 I565 V572 K574 T575L539-I563 HydrophobicContact CD1-CD1 3.78Å; L539-I563 HydrophobicContact CD2-CD1 3.59Å; L539-I563 HydrophobicContact CD2-CG1 4.24Å; L539-I563 HydrophobicContact CG-CD1 4.36Å; L555-I563 CarbonylContact C-O 3.55Å; L555-I563 WeakPolarHBondContact CA-O 3.44Å; G556-I563 PolarHBondContact N-O 2.84Å; G556-I563 PolarHBondContact O-N 2.87Å; R561-I563 HydrophobicContact CG-CG2 4.27Å; I563-I565 HydrophobicContact CD1-CD1 3.82Å; I563-I565 HydrophobicContact CD1-CG1 4.23Å; I563-I565 HydrophobicContact CG1-CD1 4.18Å; I563-I565 HydrophobicContact CG1-CG1 4.31Å; I563-V572 HydrophobicContact CB-CG1 4.32Å; I563-V572 HydrophobicContact CG2-CG1 4.5Å; I563-K574 CarbonylContact C-O 3.52Å; I563-K574 WeakPolarHBondContact CA-O 3.28Å; I563-T575 HydrophobicContact CG2-CG2 4Å
564R92.6Very high87Confident62 Ų6247.2 Ų47.223%0.23428%0.276CS..EExtended strand (participates in β ladder)trans-97.3124.8170.7174.1177-178.4-178.33.4108.4F546 E553 V573 K574 W576F546-R564 HydrophobicContact CE2-CB 4.4Å; F546-R564 HydrophobicContact CE2-CG 3.68Å; F546-R564 HydrophobicContact CZ-CB 4.19Å; F546-R564 HydrophobicContact CZ-CG 3.94Å; E553-R564 IonicContact OE1-CZ 3.4Å; E553-R564 IonicContact OE1-NE 2.76Å; E553-R564 IonicContact OE1-NH2 3.25Å; E553-R564 PolarHBondContact OE1-NH2 3Å; E553-R564 IonicContact OE2-CZ 2.74Å; E553-R564 IonicContact OE2-NE 2.66Å; E553-R564 PolarHBondContact OE2-NE 3.47Å; E553-R564 IonicContact OE2-NH2 2.71Å; E553-R564 PolarHBondContact OE2-NH2 3.29Å; R564-V573 HydrophobicContact CG-CB 4.18Å; R564-V573 PolarHBondContact O-N 3.23Å; R564-K574 HydrophobicContact CB-CB 4.35Å; R564-K574 PolarHBondContact N-O 3.16Å; R564-K574 PolarHBondContact O-N 2.93Å; R564-W576 HydrophobicContact CB-CH2 3.53Å; R564-W576 HydrophobicContact CB-CZ3 3.53Å; R564-W576 HydrophobicContact CG-CH2 4.31Å
565I87.9Confident86.9Confident11 Ų1150.4 Ų50.46%0.05630%0.296CS..EExtended strand (participates in β ladder)trans-118.2129.7-178.6-60166.2000108.1Y541 V554 I563 D571 V572Y541-I565 HydrophobicContact CD1-CD1 4.16Å; Y541-I565 HydrophobicContact CE1-CD1 3.72Å; V554-I565 HydrophobicContact CB-CB 4.14Å; V554-I565 HydrophobicContact CG1-CD1 4.31Å; V554-I565 PolarHBondContact N-O 3.47Å; V554-I565 PolarHBondContact O-N 3.09Å; I563-I565 HydrophobicContact CD1-CD1 3.82Å; I563-I565 HydrophobicContact CD1-CG1 4.23Å; I563-I565 HydrophobicContact CG1-CD1 4.18Å; I563-I565 HydrophobicContact CG1-CG1 4.31Å; I565-D571 WeakPolarHBondContact CA-O 3.45Å; I565-V572 HydrophobicContact CG1-CG2 4.36Å
566D82.8Confident86.7Confident47 Ų4751.1 Ų51.125%0.25130%0.298SS..  trans-74.9129.7174.4-176.9-87.7000109.9G568 V569 G570 D571 V573D566-G568 VanDerWaalsContact C-N 3.33Å; D566-G568 PolarHBondContact O-N 3.36Å; D566-G568 VanDerWaalsContact OD1-CA 3.3Å; D566-G568 WeakPolarHBondContact OD1-CA 3.3Å; D566-G568 PolarHBondContact OD1-N 3.27Å; D566-V569 PolarHBondContact OD1-N 3.36Å; D566-G570 VanDerWaalsContact O-CA 3.24Å; D566-G570 WeakPolarHBondContact O-CA 3.34Å; D566-G570 PolarHBondContact O-N 3.07Å; D566-D571 PolarHBondContact N-O 3.34Å; D566-D571 VanDerWaalsContact N-O 3.09Å; D566-V573 HydrophobicContact CB-CG2 3.67Å
567L80.9Confident86.6Confident66 Ų6659.1 Ų59.135%0.34633%0.329SS..THydrogen-bonded Turntrans-71.9-23.8-178.4-85.5-178.2000114.2V213 V543 D552 V554V213-L567 HydrophobicContact CG2-CD1 4.33Å; V213-L567 HydrophobicContact CG2-CD2 3.39Å; V543-L567 HydrophobicContact CG1-CD1 4.47Å; D552-L567 HydrophobicContact CB-CD1 4.13Å; D552-L567 WeakPolarHBondContact O-CD1 3.4Å; V554-L567 HydrophobicContact CG2-CD2 3.38Å; V554-L567 HydrophobicContact CG2-CG 3.98Å
568G73.3Confident86.2Confident74 Ų7460.3 Ų60.376%0.76333%0.333SS*.THydrogen-bonded Turntrans-80-40.2-178.700000112.5D566D566-G568 VanDerWaalsContact C-N 3.33Å; D566-G568 PolarHBondContact O-N 3.36Å; D566-G568 VanDerWaalsContact OD1-CA 3.3Å; D566-G568 WeakPolarHBondContact OD1-CA 3.3Å; D566-G568 PolarHBondContact OD1-N 3.27Å
569V72.8Confident86.1Confident105 Ų10567 Ų6764%0.63637%0.369SS*.THydrogen-bonded Turntrans-100.6-28.9-176.8-168.70000112.3D566 D571D566-V569 PolarHBondContact OD1-N 3.36Å; V569-D571 VanDerWaalsContact C-N 3.27Å; V569-D571 HydrophobicContact CG1-CB 4.21Å; V569-D571 WeakPolarHBondContact CG1-OD2 3.32Å
570G72.6Confident86.1Confident45 Ų4568.9 Ų68.946%0.46438%0.377SS..  trans81.62.2-174.800000114.2D566D566-G570 VanDerWaalsContact O-CA 3.24Å; D566-G570 WeakPolarHBondContact O-CA 3.34Å; D566-G570 PolarHBondContact O-N 3.07Å
571D76.4Confident86.2Confident107 Ų10765.9 Ų65.957%0.57236%0.361SS*.  trans-86151.1-177.6-75.9-22.4000112.8I565 D566 V569 V573I565-D571 WeakPolarHBondContact CA-O 3.45Å; D566-D571 PolarHBondContact N-O 3.34Å; D566-D571 VanDerWaalsContact N-O 3.09Å; V569-D571 VanDerWaalsContact C-N 3.27Å; V569-D571 HydrophobicContact CG1-CB 4.21Å; V569-D571 WeakPolarHBondContact CG1-OD2 3.32Å; D571-V573 PolarHBondContact O-N 3.05Å
572V82.9Confident86.3Confident83 Ų8367.7 Ų67.750%0.50337%0.371SS..EExtended strand (participates in β ladder)trans-70.9112172.1-179.60000109.4I563 I565I563-V572 HydrophobicContact CB-CG1 4.32Å; I563-V572 HydrophobicContact CG2-CG1 4.5Å; I565-V572 HydrophobicContact CG1-CG2 4.36Å
573V86.3Confident86.2Confident83 Ų8373.2 Ų73.250%0.50340%0.396SS..EExtended strand (participates in β ladder)trans-80.6-43.5178-179.60000111R564 D566 D571R564-V573 HydrophobicContact CG-CB 4.18Å; R564-V573 PolarHBondContact O-N 3.23Å; D566-V573 HydrophobicContact CB-CG2 3.67Å; D571-V573 PolarHBondContact O-N 3.05Å
574K88.2Confident86.3Confident101 Ų10175.3 Ų75.344%0.43940%0.404SS..EExtended strand (participates in β ladder)trans-154.1146.1-175-163.9161.3-176.3172.20111.6I563 R564 W576I563-K574 CarbonylContact C-O 3.52Å; I563-K574 WeakPolarHBondContact CA-O 3.28Å; R564-K574 HydrophobicContact CB-CB 4.35Å; R564-K574 PolarHBondContact N-O 3.16Å; R564-K574 PolarHBondContact O-N 2.93Å; K574-W576 HydrophobicContact CB-CH2 4.32Å; K574-W576 HydrophobicContact CB-CZ2 4.17Å; K574-W576 HydrophobicContact CD-CZ2 3.77Å; K574-W576 HydrophobicContact CG-CD2 4.45Å; K574-W576 HydrophobicContact CG-CZ2 3.98Å
575T90.7Very high86.3Confident68 Ų6877.3 Ų77.342%0.41742%0.419SS..EExtended strand (participates in β ladder)trans-123.9131.2177-61.50000109.6R561 L562 I563R561-T575 HydrophobicContact CB-CG2 4.13Å; R561-T575 HydrophobicContact CG-CG2 4.39Å; L562-T575 CarbonylContact O-C 3.56Å; L562-T575 WeakPolarHBondContact O-CA 3.3Å; I563-T575 HydrophobicContact CG2-CG2 4Å
576W92.9Very high86.5Confident15 Ų1577.1 Ų77.16%0.05742%0.418CS..EExtended strand (participates in β ladder)trans-117.2130.1173.4-55.5-90.4000109.8F546 L555 R561 L562 R564 K574 F597 I603F546-W576 AromaticContact CE1-CH2 3.99Å; F546-W576 HydrophobicContact CE1-CH2 3.99Å; F546-W576 AromaticContact CZ-CH2 4Å; F546-W576 HydrophobicContact CZ-CH2 4Å; F546-W576 HydrophobicContact CZ-CZ3 4.4Å; L555-W576 HydrophobicContact CD1-CZ3 4.28Å; R561-W576 CarbonylContact C-O 3.57Å; R561-W576 WeakPolarHBondContact CA-O 3.37Å; R561-W576 VanDerWaalsContact CB-O 3.31Å; R561-W576 WeakPolarHBondContact CB-O 3.03Å; L562-W576 HydrophobicContact CB-CB 4.45Å; L562-W576 HydrophobicContact CB-CE3 4.01Å; L562-W576 PolarHBondContact N-O 2.79Å; L562-W576 PolarHBondContact O-N 2.84Å; R564-W576 HydrophobicContact CB-CH2 3.53Å; R564-W576 HydrophobicContact CB-CZ3 3.53Å; R564-W576 HydrophobicContact CG-CH2 4.31Å; K574-W576 HydrophobicContact CB-CH2 4.32Å; K574-W576 HydrophobicContact CB-CZ2 4.17Å; K574-W576 HydrophobicContact CD-CZ2 3.77Å; K574-W576 HydrophobicContact CG-CD2 4.45Å; K574-W576 HydrophobicContact CG-CZ2 3.98Å; W576-F597 HydrophobicContact CB-CD1 4.3Å; W576-F597 HydrophobicContact CB-CE1 3.6Å; W576-F597 HydrophobicContact CB-CE2 3.97Å; W576-F597 HydrophobicContact CB-CZ 3.4Å; W576-F597 VanDerWaalsContact CB-CZ 3.4Å; W576-F597 AromaticContact CD1-CD2 3.95Å; W576-F597 AromaticContact CD1-CE2 3.77Å; W576-F597 HydrophobicContact CG-CD2 4.49Å; W576-F597 HydrophobicContact CG-CE1 4.39Å; W576-F597 AromaticContact CG-CE2 3.9Å; W576-F597 HydrophobicContact CG-CE2 3.9Å; W576-F597 AromaticContact CG-CZ 3.86Å; W576-F597 HydrophobicContact CG-CZ 3.86Å; W576-I603 HydrophobicContact CD2-CD1 4.2Å; W576-I603 HydrophobicContact CE3-CD1 4.3Å; W576-I603 HydrophobicContact CH2-CD1 4.32Å; W576-I603 HydrophobicContact CZ2-CD1 4.28Å; W576-I603 HydrophobicContact CZ2-CG2 3.67Å; W576-I603 HydrophobicContact CZ3-CD1 4.34Å
577R90.3Very high86.8Confident168 Ų16878.2 Ų78.263%0.63442%0.424SS*.EExtended strand (participates in β ladder)trans-94.6143.9-178.5-64.5-173.6178.5-166.4-0.1110.8N579 N580R577-N579 VanDerWaalsContact C-N 3.27Å; R577-N579 PolarHBondContact O-N 2.79Å; R577-N580 PolarHBondContact O-N 3.42Å
578Y89.2Confident87.1Confident24 Ų2479.4 Ų79.49%0.09442%0.424CS..G310 helixtrans-64.7-33.2179.9-79.730000111.9I557 N560 L562 N580 M581 I619 I623I557-Y578 WeakPolarHBondContact CG2-OH 3.45Å; N560-Y578 PolarHBondContact O-N 3.2Å; L562-Y578 HydrophobicContact CD2-CE1 3.72Å; L562-Y578 HydrophobicContact CG-CE1 3.76Å; Y578-N580 PolarHBondContact O-N 2.68Å; Y578-N580 VanDerWaalsContact O-N 3.07Å; Y578-M581 HydrophobicContact CD1-CE 4.04Å; Y578-M581 HydrophobicContact CE1-CE 4.23Å; Y578-M581 HydrophobicContact CG-CE 4.42Å; Y578-M581 WeakPolarHBondContact O-CB 3.4Å; Y578-M581 PolarHBondContact O-N 2.72Å; Y578-I619 HydrophobicContact CE2-CG2 4.38Å; Y578-I623 HydrophobicContact CD2-CG1 3.86Å; Y578-I623 HydrophobicContact CE2-CG1 4.14Å
579N89.1Confident87.7Confident141 Ų14183.2 Ų83.275%0.75443%0.427SS*.G310 helixtrans-58.8-23.4176.9-66.44.8000113.7R577R577-N579 VanDerWaalsContact C-N 3.27Å; R577-N579 PolarHBondContact O-N 2.79Å
580N91.4Very high88.4Confident74 Ų7483.3 Ų83.340%0.39642%0.423SS..G310 helixtrans-98.70.7179-5920.5000111.3R577 Y578 F597 E598R577-N580 PolarHBondContact O-N 3.42Å; Y578-N580 PolarHBondContact O-N 2.68Å; Y578-N580 VanDerWaalsContact O-N 3.07Å; N580-F597 HydrophobicContact CB-CD1 4.39Å; N580-F597 CarbonylContact O-C 3.59Å; N580-F597 WeakPolarHBondContact O-CA 3.3Å; N580-F597 WeakPolarHBondContact O-CB 3.44Å; N580-E598 HydrophobicContact CB-CB 4.5Å; N580-E598 PolarHBondContact O-N 3.42Å
581M91.7Very high89.2Confident27 Ų2787.3 Ų87.313%0.13343%0.428CS..EExtended strand (participates in β ladder)trans-81126.1-179.9-170.9-176.8-60.500109L562 Y578 W584 I595 F597 I619L562-M581 HydrophobicContact CD1-CE 4.28Å; Y578-M581 HydrophobicContact CD1-CE 4.04Å; Y578-M581 HydrophobicContact CE1-CE 4.23Å; Y578-M581 HydrophobicContact CG-CE 4.42Å; Y578-M581 WeakPolarHBondContact O-CB 3.4Å; Y578-M581 PolarHBondContact O-N 2.72Å; M581-W584 HydrophobicContact SD-CD2 4.49Å; M581-W584 HydrophobicContact SD-CE3 3.78Å; M581-W584 HydrophobicContact SD-CZ3 4.47Å; M581-I595 HydrophobicContact CE-CG2 3.86Å; M581-I595 HydrophobicContact CG-CG2 3.74Å; M581-I595 HydrophobicContact SD-CG2 3.87Å; M581-F597 HydrophobicContact CB-CD1 4.01Å; M581-F597 HydrophobicContact CB-CE1 3.88Å; M581-F597 HydrophobicContact CE-CE1 4.02Å; M581-F597 HydrophobicContact CE-CZ 4.14Å; M581-F597 HydrophobicContact CG-CD1 4.5Å; M581-F597 HydrophobicContact CG-CE1 4.21Å; M581-I619 HydrophobicContact CE-CD1 4.36Å; M581-I619 HydrophobicContact CE-CG2 4.06Å; M581-I619 HydrophobicContact SD-CG2 3.93Å
582K93.2Very high90Very high113 Ų11384.2 Ų84.249%0.49141%0.41SS..EExtended strand (participates in β ladder)trans-89.6-48.3176.1-67.9-176.7178175.30111.5E596 E598K582-E596 HydrophobicContact CB-CG 4.33Å; K582-E596 HydrophobicContact CD-CG 4.16Å; K582-E596 PolarHBondContact N-O 3.16Å; K582-E596 IonicContact NZ-OE1 3.34Å; K582-E598 HydrophobicContact CG-CG 4.25Å
583Q92.3Very high90.6Very high115 Ų11580.3 Ų80.354%0.53739%0.386SS..EExtended strand (participates in β ladder)trans-161.3159.4-177.658-179.7-800110.5E596Q583-E596 HydrophobicContact CG-CB 4.02Å; Q583-E596 PolarHBondContact NE2-OE2 2.67Å; Q583-E596 PolarHBondContact O-N 3.03Å
584W94.4Very high91Very high52 Ų5278.4 Ų78.420%0.19738%0.379CS..EExtended strand (participates in β ladder)trans-132.7151.4166.170.697.6000109.8M581 M593 A594 I595 H616 I619 I623 L644M581-W584 HydrophobicContact SD-CD2 4.49Å; M581-W584 HydrophobicContact SD-CE3 3.78Å; M581-W584 HydrophobicContact SD-CZ3 4.47Å; W584-M593 HydrophobicContact CB-CE 4.14Å; W584-M593 HydrophobicContact CG-CE 3.92Å; W584-A594 CarbonylContact C-O 3.53Å; W584-A594 VanDerWaalsContact CA-O 3.29Å; W584-A594 WeakPolarHBondContact CA-O 3.07Å; W584-I595 HydrophobicContact CB-CB 4.37Å; W584-I595 HydrophobicContact CB-CG1 3.91Å; W584-I595 HydrophobicContact CB-CG2 4.26Å; W584-H616 AromaticContact CD1-ND1 3.47Å; W584-H616 AromaticContact NE1-CE1 3.26Å; W584-H616 PolarHBondContact NE1-CE1 3Å; W584-H616 VanDerWaalsContact NE1-CE1 3.26Å; W584-H616 AromaticContact NE1-CG 3.92Å; W584-H616 AromaticContact NE1-ND1 2.88Å; W584-H616 PolarHBondContact NE1-ND1 3.16Å; W584-I619 HydrophobicContact CD2-CG2 4Å; W584-I619 HydrophobicContact CE3-CG2 4.11Å; W584-I619 HydrophobicContact CH2-CG2 4.49Å; W584-I619 HydrophobicContact CZ2-CG2 4.38Å; W584-I619 HydrophobicContact CZ3-CG2 4.37Å; W584-I623 HydrophobicContact CE3-CD1 4.21Å; W584-I623 HydrophobicContact CH2-CD1 3.61Å; W584-I623 HydrophobicContact CZ3-CD1 3.37Å; W584-L644 HydrophobicContact CH2-CD2 3.86Å
585N92.2Very high91.4Very high105 Ų10573.7 Ų73.756%0.56136%0.359SS*.EExtended strand (participates in β ladder)trans-137.5148.9177-169.53.9000109.5A594N585-A594 PolarHBondContact N-O 3.38Å; N585-A594 PolarHBondContact O-N 3.05Å
586V92.2Very high91.6Very high6 Ų673 Ų734%0.03635%0.351CS..EExtended strand (participates in β ladder)trans-116.2119.6172.8-173.70000108.2W588 M593 C612 H616V586-W588 HydrophobicContact CB-CD2 4.29Å; V586-W588 HydrophobicContact CB-CH2 4.09Å; V586-W588 HydrophobicContact CB-CZ2 3.73Å; V586-W588 HydrophobicContact CG1-CD2 3.75Å; V586-W588 HydrophobicContact CG1-CE3 3.7Å; V586-W588 HydrophobicContact CG1-CG 4.46Å; V586-W588 HydrophobicContact CG1-CH2 3.78Å; V586-W588 HydrophobicContact CG1-CZ2 3.83Å; V586-W588 HydrophobicContact CG1-CZ3 3.72Å; V586-W588 HydrophobicContact CG2-CH2 4.28Å; V586-W588 HydrophobicContact CG2-CZ2 4.17Å; V586-W588 PolarHBondContact O-N 3.06Å; V586-M593 HydrophobicContact CG2-CG 4.31Å; V586-C612 HydrophobicContact CG1-CB 3.91Å; V586-H616 HydrophobicContact CG2-CB 3.84Å
587N90.6Very high91.6Very high71 Ų7172.5 Ų72.538%0.3835%0.349SS..EExtended strand (participates in β ladder)trans-85.7104.2165.7-173.7-36.6000108.5D589 I590 K591 Q592N587-D589 PolarHBondContact OD1-N 2.93Å; N587-D589 VanDerWaalsContact OD1-N 3.12Å; N587-I590 HydrophobicContact CB-CD1 4.26Å; N587-I590 HydrophobicContact CB-CG1 3.82Å; N587-I590 VanDerWaalsContact CG-CG1 3.5Å; N587-I590 PolarHBondContact OD1-N 3.21Å; N587-K591 CarbonylContact O-C 3.44Å; N587-K591 VanDerWaalsContact O-CA 3.28Å; N587-K591 WeakPolarHBondContact O-CA 3.33Å; N587-K591 PolarHBondContact O-N 3.11Å; N587-Q592 PolarHBondContact N-O 3.41Å; N587-Q592 PolarHBondContact O-N 2.8Å
588W86.9Confident91.6Very high91 Ų9169.7 Ų69.735%0.34534%0.343SS..THydrogen-bonded Turntrans-69.7-30-176.4-57.6104.9000113.2V586 K591 K613V586-W588 HydrophobicContact CB-CD2 4.29Å; V586-W588 HydrophobicContact CB-CH2 4.09Å; V586-W588 HydrophobicContact CB-CZ2 3.73Å; V586-W588 HydrophobicContact CG1-CD2 3.75Å; V586-W588 HydrophobicContact CG1-CE3 3.7Å; V586-W588 HydrophobicContact CG1-CG 4.46Å; V586-W588 HydrophobicContact CG1-CH2 3.78Å; V586-W588 HydrophobicContact CG1-CZ2 3.83Å; V586-W588 HydrophobicContact CG1-CZ3 3.72Å; V586-W588 HydrophobicContact CG2-CH2 4.28Å; V586-W588 HydrophobicContact CG2-CZ2 4.17Å; V586-W588 PolarHBondContact O-N 3.06Å; W588-K591 PolarHBondContact O-N 2.78Å; W588-K613 HydrophobicContact CH2-CB 3.95Å; W588-K613 HydrophobicContact CH2-CD 3.77Å; W588-K613 HydrophobicContact CH2-CG 4.43Å; W588-K613 HydrophobicContact CZ3-CB 3.85Å; W588-K613 HydrophobicContact CZ3-CD 4.45Å
589D85.9Confident91.5Very high154 Ų15471.9 Ų71.982%0.82437%0.373SS*.THydrogen-bonded Turntrans-66.4-43.9-178.7-61.1-40000111.6N587N587-D589 PolarHBondContact OD1-N 2.93Å; N587-D589 VanDerWaalsContact OD1-N 3.12Å
590I87.8Confident91.3Very high106 Ų10671.9 Ų71.954%0.54437%0.373SS..THydrogen-bonded Turntrans-98.65177.865.7171.5000113N587 Q592N587-I590 HydrophobicContact CB-CD1 4.26Å; N587-I590 HydrophobicContact CB-CG1 3.82Å; N587-I590 VanDerWaalsContact CG-CG1 3.5Å; N587-I590 PolarHBondContact OD1-N 3.21Å; I590-Q592 VanDerWaalsContact C-N 3.29Å; I590-Q592 HydrophobicContact CD1-CB 3.74Å; I590-Q592 HydrophobicContact CG1-CB 3.71Å; I590-Q592 PolarHBondContact O-N 2.98Å
591K89.4Confident91.3Very high130 Ų13070.9 Ų70.957%0.56537%0.369SS*.THydrogen-bonded Turntrans46.150.8-175.9-58-173.8178.2-1670112.5N587 W588 C612N587-K591 CarbonylContact O-C 3.44Å; N587-K591 VanDerWaalsContact O-CA 3.28Å; N587-K591 WeakPolarHBondContact O-CA 3.33Å; N587-K591 PolarHBondContact O-N 3.11Å; W588-K591 PolarHBondContact O-N 2.78Å; K591-C612 VanDerWaalsContact C-SG 3.6Å; K591-C612 PolarHBondContact O-SG 3.36Å
592Q92.6Very high91.3Very high42 Ų4274.9 Ų74.920%0.19639%0.391CS..EExtended strand (participates in β ladder)trans-121.6132.9-178.4-172.5169.554.500110.9N587 I590 A604 F605N587-Q592 PolarHBondContact N-O 3.41Å; N587-Q592 PolarHBondContact O-N 2.8Å; I590-Q592 VanDerWaalsContact C-N 3.29Å; I590-Q592 HydrophobicContact CD1-CB 3.74Å; I590-Q592 HydrophobicContact CG1-CB 3.71Å; I590-Q592 PolarHBondContact O-N 2.98Å; Q592-A604 HydrophobicContact CG-CB 4.4Å; Q592-F605 WeakPolarHBondContact CG-O 3.27Å
593M94.8Very high91.3Very high0 Ų070.4 Ų70.40%037%0.372CS..EExtended strand (participates in β ladder)trans-94.6138.8170.4-168.8171.5-157.900109.9W584 V586 I595 A604 F605 V615 H616 I619W584-M593 HydrophobicContact CB-CE 4.14Å; W584-M593 HydrophobicContact CG-CE 3.92Å; V586-M593 HydrophobicContact CG2-CG 4.31Å; M593-I595 HydrophobicContact CE-CD1 4.24Å; M593-I595 HydrophobicContact CE-CG1 4.44Å; M593-I595 HydrophobicContact CG-CG1 4.2Å; M593-I595 HydrophobicContact SD-CD1 4.24Å; M593-A604 CarbonylContact O-C 3.44Å; M593-A604 WeakPolarHBondContact O-CA 3.36Å; M593-F605 HydrophobicContact CB-CD2 4.39Å; M593-F605 HydrophobicContact CB-CE1 4.41Å; M593-F605 HydrophobicContact CB-CE2 3.9Å; M593-F605 HydrophobicContact CB-CZ 3.91Å; M593-F605 HydrophobicContact CG-CE2 4.46Å; M593-F605 HydrophobicContact CG-CZ 4.03Å; M593-F605 PolarHBondContact N-O 2.94Å; M593-F605 PolarHBondContact O-N 3.36Å; M593-F605 HydrophobicContact SD-CE1 4.46Å; M593-F605 HydrophobicContact SD-CE2 4.05Å; M593-F605 HydrophobicContact SD-CZ 3.57Å; M593-F605 VanDerWaalsContact SD-CZ 3.57Å; M593-V615 HydrophobicContact CE-CG1 4.26Å; M593-V615 HydrophobicContact SD-CB 3.99Å; M593-V615 HydrophobicContact SD-CG1 3.45Å; M593-V615 WeakPolarHBondContact SD-CG1 3.4Å; M593-H616 HydrophobicContact CE-CB 4.32Å; M593-I619 HydrophobicContact CE-CD1 3.52Å; M593-I619 HydrophobicContact CE-CG1 4.4Å; M593-I619 HydrophobicContact SD-CD1 4.29Å
594A95.1Very high91.5Very high44 Ų4465.8 Ų65.836%0.36435%0.354SS..EExtended strand (participates in β ladder)trans-126.6133.5172.900000109.7W584 N585 I603 A604W584-A594 CarbonylContact C-O 3.53Å; W584-A594 VanDerWaalsContact CA-O 3.29Å; W584-A594 WeakPolarHBondContact CA-O 3.07Å; N585-A594 PolarHBondContact N-O 3.38Å; N585-A594 PolarHBondContact O-N 3.05Å; A594-I603 CarbonylContact C-O 3.57Å; A594-I603 VanDerWaalsContact CA-O 3.32Å; A594-I603 WeakPolarHBondContact CA-O 3.37Å; A594-A604 HydrophobicContact CB-CB 4.31Å
595I96Very high91.6Very high2 Ų263.3 Ų63.31%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-129.2127.3-178.2-48.5-178.2000108.5L562 M581 W584 M593 F597 I603 F605 I619L562-I595 HydrophobicContact CD1-CD1 3.53Å; M581-I595 HydrophobicContact CE-CG2 3.86Å; M581-I595 HydrophobicContact CG-CG2 3.74Å; M581-I595 HydrophobicContact SD-CG2 3.87Å; W584-I595 HydrophobicContact CB-CB 4.37Å; W584-I595 HydrophobicContact CB-CG1 3.91Å; W584-I595 HydrophobicContact CB-CG2 4.26Å; M593-I595 HydrophobicContact CE-CD1 4.24Å; M593-I595 HydrophobicContact CE-CG1 4.44Å; M593-I595 HydrophobicContact CG-CG1 4.2Å; M593-I595 HydrophobicContact SD-CD1 4.24Å; I595-F597 HydrophobicContact CB-CE2 4.01Å; I595-F597 HydrophobicContact CB-CZ 4.39Å; I595-F597 HydrophobicContact CG2-CD2 4.2Å; I595-F597 HydrophobicContact CG2-CE1 4.25Å; I595-F597 HydrophobicContact CG2-CE2 3.54Å; I595-F597 HydrophobicContact CG2-CZ 3.56Å; I595-I603 HydrophobicContact CB-CD1 4.25Å; I595-I603 HydrophobicContact CB-CG1 3.78Å; I595-I603 HydrophobicContact CD1-CD1 4.24Å; I595-I603 HydrophobicContact CG1-CG1 4.3Å; I595-I603 PolarHBondContact N-O 3.39Å; I595-I603 PolarHBondContact O-N 3.07Å; I595-F605 HydrophobicContact CD1-CE1 4.08Å; I595-F605 HydrophobicContact CD1-CZ 4.35Å; I595-I619 HydrophobicContact CD1-CD1 3.54Å
596E95.9Very high91.7Very high52 Ų5259.3 Ų59.324%0.24333%0.328CS..EExtended strand (participates in β ladder)trans-102.1126.8176.4177177.2174.600109.9K582 Q583 N602K582-E596 HydrophobicContact CB-CG 4.33Å; K582-E596 HydrophobicContact CD-CG 4.16Å; K582-E596 PolarHBondContact N-O 3.16Å; K582-E596 IonicContact NZ-OE1 3.34Å; Q583-E596 HydrophobicContact CG-CB 4.02Å; Q583-E596 PolarHBondContact NE2-OE2 2.67Å; Q583-E596 PolarHBondContact O-N 3.03Å; E596-N602 WeakPolarHBondContact CA-OD1 3.23Å; E596-N602 WeakPolarHBondContact CB-OD1 3.14Å; E596-N602 WeakPolarHBondContact CG-OD1 3.45Å
597F93.4Very high91.8Very high5 Ų560.2 Ų60.22%0.02234%0.335CS..EExtended strand (participates in β ladder)trans-111.5163.8172.2-60.4-89.2000111.1L562 W576 N580 M581 I595 V601 I603L562-F597 HydrophobicContact CD1-CZ 4.36Å; W576-F597 HydrophobicContact CB-CD1 4.3Å; W576-F597 HydrophobicContact CB-CE1 3.6Å; W576-F597 HydrophobicContact CB-CE2 3.97Å; W576-F597 HydrophobicContact CB-CZ 3.4Å; W576-F597 VanDerWaalsContact CB-CZ 3.4Å; W576-F597 AromaticContact CD1-CD2 3.95Å; W576-F597 AromaticContact CD1-CE2 3.77Å; W576-F597 HydrophobicContact CG-CD2 4.49Å; W576-F597 HydrophobicContact CG-CE1 4.39Å; W576-F597 AromaticContact CG-CE2 3.9Å; W576-F597 HydrophobicContact CG-CE2 3.9Å; W576-F597 AromaticContact CG-CZ 3.86Å; W576-F597 HydrophobicContact CG-CZ 3.86Å; N580-F597 HydrophobicContact CB-CD1 4.39Å; N580-F597 CarbonylContact O-C 3.59Å; N580-F597 WeakPolarHBondContact O-CA 3.3Å; N580-F597 WeakPolarHBondContact O-CB 3.44Å; M581-F597 HydrophobicContact CB-CD1 4.01Å; M581-F597 HydrophobicContact CB-CE1 3.88Å; M581-F597 HydrophobicContact CE-CE1 4.02Å; M581-F597 HydrophobicContact CE-CZ 4.14Å; M581-F597 HydrophobicContact CG-CD1 4.5Å; M581-F597 HydrophobicContact CG-CE1 4.21Å; I595-F597 HydrophobicContact CB-CE2 4.01Å; I595-F597 HydrophobicContact CB-CZ 4.39Å; I595-F597 HydrophobicContact CG2-CD2 4.2Å; I595-F597 HydrophobicContact CG2-CE1 4.25Å; I595-F597 HydrophobicContact CG2-CE2 3.54Å; I595-F597 HydrophobicContact CG2-CZ 3.56Å; F597-V601 HydrophobicContact CB-CB 4.15Å; F597-V601 WeakPolarHBondContact CB-O 3.28Å; F597-V601 HydrophobicContact CD2-CG1 4.45Å; F597-V601 PolarHBondContact N-O 3.08Å; F597-I603 HydrophobicContact CE2-CD1 3.72Å; F597-I603 HydrophobicContact CE2-CG1 3.91Å; F597-I603 HydrophobicContact CZ-CD1 4.33Å
598E89.9Confident91.8Very high110 Ų11060.4 Ų60.451%0.51434%0.338SS..THydrogen-bonded Turntrans-55.4153.2168.7-66.2-174.9165.900112.7N580 K582N580-E598 HydrophobicContact CB-CB 4.5Å; N580-E598 PolarHBondContact O-N 3.42Å; K582-E598 HydrophobicContact CG-CG 4.25Å
599G87.1Confident91.8Very high70 Ų7058 Ų5872%0.72233%0.333SS*.THydrogen-bonded Turntrans74.426.6-177.600000114.4V601G599-V601 PolarHBondContact O-N 3.48Å
600N84.8Confident92Very high141 Ų14151.3 Ų51.375%0.75430%0.3SS*.THydrogen-bonded Turntrans58.429.3-179.6-59-25.6000113.6N602N600-N602 PolarHBondContact O-N 3.3Å
601V90.3Very high92.1Very high52 Ų5249.8 Ų49.832%0.31529%0.293SS..EExtended strand (participates in β ladder)trans-89.6107.5177177.90000108.8F597 G599F597-V601 HydrophobicContact CB-CB 4.15Å; F597-V601 WeakPolarHBondContact CB-O 3.28Å; F597-V601 HydrophobicContact CD2-CG1 4.45Å; F597-V601 PolarHBondContact N-O 3.08Å; G599-V601 PolarHBondContact O-N 3.48Å
602N91.9Very high92.3Very high111 Ų11143.8 Ų43.859%0.59427%0.267SS*.EExtended strand (participates in β ladder)trans-111.4133.1177.4-65.9-30.8000110.5E596 N600E596-N602 WeakPolarHBondContact CA-OD1 3.23Å; E596-N602 WeakPolarHBondContact CB-OD1 3.14Å; E596-N602 WeakPolarHBondContact CG-OD1 3.45Å; N600-N602 PolarHBondContact O-N 3.3Å
603I94.7Very high92.3Very high19 Ų1942.8 Ų42.810%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-120.4145.3171.767.9175.8000109.7W576 A594 I595 F597 F605W576-I603 HydrophobicContact CD2-CD1 4.2Å; W576-I603 HydrophobicContact CE3-CD1 4.3Å; W576-I603 HydrophobicContact CH2-CD1 4.32Å; W576-I603 HydrophobicContact CZ2-CD1 4.28Å; W576-I603 HydrophobicContact CZ2-CG2 3.67Å; W576-I603 HydrophobicContact CZ3-CD1 4.34Å; A594-I603 CarbonylContact C-O 3.57Å; A594-I603 VanDerWaalsContact CA-O 3.32Å; A594-I603 WeakPolarHBondContact CA-O 3.37Å; I595-I603 HydrophobicContact CB-CD1 4.25Å; I595-I603 HydrophobicContact CB-CG1 3.78Å; I595-I603 HydrophobicContact CD1-CD1 4.24Å; I595-I603 HydrophobicContact CG1-CG1 4.3Å; I595-I603 PolarHBondContact N-O 3.39Å; I595-I603 PolarHBondContact O-N 3.07Å; F597-I603 HydrophobicContact CE2-CD1 3.72Å; F597-I603 HydrophobicContact CE2-CG1 3.91Å; F597-I603 HydrophobicContact CZ-CD1 4.33Å; I603-F605 HydrophobicContact CD1-CE1 4.26Å
604A95.4Very high92.2Very high19 Ų1943.2 Ų43.216%0.15726%0.264CS..EExtended strand (participates in β ladder)trans-141.4141.1172.400000110.1K547 Q592 M593 A594K547-A604 HydrophobicContact CB-CB 4.01Å; K547-A604 WeakPolarHBondContact CB-O 3.37Å; K547-A604 HydrophobicContact CD-CB 4.11Å; K547-A604 PolarHBondContact N-O 3.07Å; Q592-A604 HydrophobicContact CG-CB 4.4Å; M593-A604 CarbonylContact O-C 3.44Å; M593-A604 WeakPolarHBondContact O-CA 3.36Å; A594-A604 HydrophobicContact CB-CB 4.31Å
605F96Very high92.2Very high0 Ų041.1 Ų41.10%025%0.247CC..EExtended strand (participates in β ladder)trans-156150.9-178.457.6-92.5000111.7V544 R545 F546 L555 Q592 M593 I595 I603 V615V544-F605 HydrophobicContact CB-CB 4.21Å; V544-F605 HydrophobicContact CB-CD2 3.81Å; V544-F605 HydrophobicContact CB-CG 4.24Å; V544-F605 HydrophobicContact CG1-CD2 3.61Å; V544-F605 HydrophobicContact CG1-CE2 3.94Å; V544-F605 HydrophobicContact CG1-CG 4.44Å; V544-F605 HydrophobicContact CG2-CB 4.45Å; V544-F605 HydrophobicContact CG2-CD2 4.42Å; V544-F605 HydrophobicContact CG2-CG 4.48Å; R545-F605 CarbonylContact O-C 3.54Å; R545-F605 VanDerWaalsContact O-CA 3.22Å; R545-F605 WeakPolarHBondContact O-CA 3.49Å; R545-F605 WeakPolarHBondContact O-CB 3.33Å; F546-F605 HydrophobicContact CD1-CB 3.93Å; F546-F605 HydrophobicContact CD1-CD1 4.3Å; F546-F605 HydrophobicContact CE1-CB 4.26Å; F546-F605 AromaticContact CE1-CD1 3.95Å; F546-F605 HydrophobicContact CE1-CD1 3.95Å; F546-F605 HydrophobicContact CE1-CG 4.39Å; F546-F605 HydrophobicContact CG-CB 4.33Å; L555-F605 HydrophobicContact CD2-CE1 4.03Å; L555-F605 HydrophobicContact CD2-CE2 3.73Å; L555-F605 HydrophobicContact CD2-CZ 3.42Å; L555-F605 VanDerWaalsContact CD2-CZ 3.42Å; Q592-F605 WeakPolarHBondContact CG-O 3.27Å; M593-F605 HydrophobicContact CB-CD2 4.39Å; M593-F605 HydrophobicContact CB-CE1 4.41Å; M593-F605 HydrophobicContact CB-CE2 3.9Å; M593-F605 HydrophobicContact CB-CZ 3.91Å; M593-F605 HydrophobicContact CG-CE2 4.46Å; M593-F605 HydrophobicContact CG-CZ 4.03Å; M593-F605 PolarHBondContact N-O 2.94Å; M593-F605 PolarHBondContact O-N 3.36Å; M593-F605 HydrophobicContact SD-CE1 4.46Å; M593-F605 HydrophobicContact SD-CE2 4.05Å; M593-F605 HydrophobicContact SD-CZ 3.57Å; M593-F605 VanDerWaalsContact SD-CZ 3.57Å; I595-F605 HydrophobicContact CD1-CE1 4.08Å; I595-F605 HydrophobicContact CD1-CZ 4.35Å; I603-F605 HydrophobicContact CD1-CE1 4.26Å; F605-V615 HydrophobicContact CE2-CG1 4.16Å; F605-V615 HydrophobicContact CZ-CG1 4.02Å
606G95.3Very high92.2Very high20 Ų2041.7 Ų41.721%0.20625%0.25CC..EExtended strand (participates in β ladder)trans-98.5147.3166.900000110.4V544 R545V544-G606 CarbonylContact C-O 3.57Å; V544-G606 VanDerWaalsContact CA-O 3.28Å; V544-G606 WeakPolarHBondContact CA-O 3.35Å; R545-G606 PolarHBondContact N-O 3.49Å; R545-G606 PolarHBondContact O-N 2.91Å
607C93.3Very high92.2Very high26 Ų2639.2 Ų39.218%0.17624%0.238CC..EExtended strand (participates in β ladder)trans-88.5141.8176.9-60.20000111.1V542 A610 V615V542-C607 HydrophobicContact CG1-CB 4.36Å; C607-A610 WeakPolarHBondContact CB-O 3.38Å; C607-V615 VanDerWaalsContact SG-CG2 3.56Å
608V91.4Very high92.3Very high74 Ų7439 Ų3945%0.44824%0.237SC..SBendtrans-108.1-49-177.3-177.80000111.2V543 R545V543-V608 HydrophobicContact CB-CB 4.28Å; V543-V608 HydrophobicContact CG1-CB 4.01Å; V543-V608 HydrophobicContact CG1-CG1 4.46Å; V543-V608 HydrophobicContact CG1-CG2 4.35Å; V543-V608 PolarHBondContact O-N 3.33Å; R545-V608 HydrophobicContact CB-CG2 4.45Å
609T87.3Confident92.6Very high40 Ų4033.8 Ų33.825%0.24521%0.213CC..SBendtrans-92-7.5-177.451.70000114.4S216 V543S216-T609 PolarHBondContact OG-OG1 3.48Å; V543-T609 HydrophobicContact CB-CG2 3.7Å; V543-T609 HydrophobicContact CG2-CG2 3.64Å; V543-T609 PolarHBondContact N-OG1 2.9Å
610A89.4Confident93Very high15 Ų1530.4 Ų30.412%0.12418%0.178CC..SBendtrans-145.2163.8179.400000110.6V542 C607 I614V542-A610 HydrophobicContact CG1-CB 4.04Å; C607-A610 WeakPolarHBondContact CB-O 3.38Å; A610-I614 HydrophobicContact CB-CB 4.2Å; A610-I614 HydrophobicContact CB-CG1 4.19Å; A610-I614 HydrophobicContact CB-CG2 4.43Å
611D90.9Very high93.6Very high74 Ų7423.7 Ų23.740%0.39614%0.142SC..  trans-71.1146.9168.6-163.8-73.3000110.5K613 I614D611-K613 HydrophobicContact CB-CB 4.39Å; D611-K613 PolarHBondContact O-N 3.47Å; D611-K613 VanDerWaalsContact O-N 3.12Å; D611-K613 VanDerWaalsContact OD1-CB 3.29Å; D611-K613 WeakPolarHBondContact OD1-CB 3.5Å; D611-K613 PolarHBondContact OD1-N 3.46Å; D611-I614 VanDerWaalsContact O-CB 3.32Å; D611-I614 WeakPolarHBondContact O-CB 3.49Å; D611-I614 PolarHBondContact O-N 3.13Å
612C92.4Very high93.8Very high4 Ų421.4 Ų21.43%0.02713%0.128CC..Hα-helixtrans-56.9-25.9174.3-70.20000112.7V586 K591 I614 V615 H616V586-C612 HydrophobicContact CG1-CB 3.91Å; K591-C612 VanDerWaalsContact C-SG 3.6Å; K591-C612 PolarHBondContact O-SG 3.36Å; C612-I614 PolarHBondContact O-N 3.44Å; C612-V615 PolarHBondContact O-N 2.83Å; C612-H616 WeakPolarHBondContact O-CB 3.38Å; C612-H616 PolarHBondContact O-N 3.44Å
613K92.8Very high93.9Very high20 Ų2018 Ų189%0.08711%0.109CC..Hα-helixtrans-55.7-37.6171.1-177.858.4171.1-175.10112.9D224 S226 W588 D611 H616 E617 T645 G646D224-K613 WeakPolarHBondContact OD1-CE 3.34Å; D224-K613 IonicContact OD1-NZ 3.54Å; D224-K613 PolarHBondContact OD1-NZ 3.5Å; D224-K613 WeakPolarHBondContact OD2-CE 3.45Å; D224-K613 IonicContact OD2-NZ 3.55Å; S226-K613 PolarHBondContact OG-NZ 3Å; W588-K613 HydrophobicContact CH2-CB 3.95Å; W588-K613 HydrophobicContact CH2-CD 3.77Å; W588-K613 HydrophobicContact CH2-CG 4.43Å; W588-K613 HydrophobicContact CZ3-CB 3.85Å; W588-K613 HydrophobicContact CZ3-CD 4.45Å; D611-K613 HydrophobicContact CB-CB 4.39Å; D611-K613 PolarHBondContact O-N 3.47Å; D611-K613 VanDerWaalsContact O-N 3.12Å; D611-K613 VanDerWaalsContact OD1-CB 3.29Å; D611-K613 WeakPolarHBondContact OD1-CB 3.5Å; D611-K613 PolarHBondContact OD1-N 3.46Å; K613-H616 PolarHBondContact O-N 3.24Å; K613-E617 VanDerWaalsContact O-CB 3.31Å; K613-E617 WeakPolarHBondContact O-CB 3.24Å; K613-E617 PolarHBondContact O-N 3.29Å; K613-T645 PolarHBondContact NZ-O 3.23Å; K613-G646 PolarHBondContact NZ-O 3.27Å
614I93.4Very high93.8Very high10 Ų1017.1 Ų17.15%0.05111%0.105CC..Hα-helixtrans-63.7-48.6178.8-60.9-55.2000110.3H219 W222 A610 D611 C612 E617 F618H219-I614 VanDerWaalsContact O-CG2 3.31Å; H219-I614 WeakPolarHBondContact O-CG2 3.49Å; W222-I614 HydrophobicContact CB-CD1 4.17Å; A610-I614 HydrophobicContact CB-CB 4.2Å; A610-I614 HydrophobicContact CB-CG1 4.19Å; A610-I614 HydrophobicContact CB-CG2 4.43Å; D611-I614 VanDerWaalsContact O-CB 3.32Å; D611-I614 WeakPolarHBondContact O-CB 3.49Å; D611-I614 PolarHBondContact O-N 3.13Å; C612-I614 PolarHBondContact O-N 3.44Å; I614-E617 PolarHBondContact O-N 2.66Å; I614-F618 HydrophobicContact CG2-CD2 3.71Å; I614-F618 HydrophobicContact CG2-CE2 3.64Å; I614-F618 VanDerWaalsContact O-CD2 3.24Å; I614-F618 WeakPolarHBondContact O-CD2 3.37Å; I614-F618 PolarHBondContact O-N 3.38Å
615V95.2Very high93.7Very high0 Ų016.8 Ų16.80%010%0.1CC..Hα-helixtrans-65.2-43.9179.1-176.80000110.8V542 L555 I557 M593 F605 C607 C612 E617 F618 I619V542-V615 HydrophobicContact CB-CG2 4.26Å; V542-V615 HydrophobicContact CG1-CG2 4.01Å; V542-V615 HydrophobicContact CG2-CG2 4.04Å; L555-V615 HydrophobicContact CD2-CG1 3.99Å; I557-V615 HydrophobicContact CD1-CB 4.29Å; I557-V615 HydrophobicContact CD1-CG1 3.84Å; I557-V615 HydrophobicContact CD1-CG2 4.15Å; M593-V615 HydrophobicContact CE-CG1 4.26Å; M593-V615 HydrophobicContact SD-CB 3.99Å; M593-V615 HydrophobicContact SD-CG1 3.45Å; M593-V615 WeakPolarHBondContact SD-CG1 3.4Å; F605-V615 HydrophobicContact CE2-CG1 4.16Å; F605-V615 HydrophobicContact CZ-CG1 4.02Å; C607-V615 VanDerWaalsContact SG-CG2 3.56Å; C612-V615 PolarHBondContact O-N 2.83Å; V615-E617 VanDerWaalsContact C-N 3.33Å; V615-E617 PolarHBondContact O-N 2.85Å; V615-F618 PolarHBondContact O-N 3Å; V615-I619 HydrophobicContact CG1-CD1 4.34Å; V615-I619 WeakPolarHBondContact O-CG1 3.36Å; V615-I619 PolarHBondContact O-N 3.41Å
616H95.3Very high93.3Very high14 Ų1420 Ų207%0.06512%0.122CC..Hα-helixtrans-53.8-48.6173.517379.6000112.1W584 V586 M593 C612 K613 I619 G620 L644 T645W584-H616 AromaticContact CD1-ND1 3.47Å; W584-H616 AromaticContact NE1-CE1 3.26Å; W584-H616 PolarHBondContact NE1-CE1 3Å; W584-H616 VanDerWaalsContact NE1-CE1 3.26Å; W584-H616 AromaticContact NE1-CG 3.92Å; W584-H616 AromaticContact NE1-ND1 2.88Å; W584-H616 PolarHBondContact NE1-ND1 3.16Å; V586-H616 HydrophobicContact CG2-CB 3.84Å; M593-H616 HydrophobicContact CE-CB 4.32Å; C612-H616 WeakPolarHBondContact O-CB 3.38Å; C612-H616 PolarHBondContact O-N 3.44Å; K613-H616 PolarHBondContact O-N 3.24Å; H616-I619 PolarHBondContact O-N 2.9Å; H616-G620 PolarHBondContact O-N 3Å; H616-L644 PolarHBondContact NE2-O 3.13Å; H616-T645 PolarHBondContact CD2-O 2.86Å; H616-T645 PolarHBondContact NE2-O 3.1Å
617E96.1Very high92.9Very high0 Ų020.8 Ų20.80%012%0.123CC..Hα-helixtrans-66.8-40.3178.9-175.7176148.700112.1S225 K245 Y246 K613 I614 V615 I619 G620 G621 T645S225-E617 VanDerWaalsContact CB-OE1 3.23Å; S225-E617 WeakPolarHBondContact CB-OE1 3.34Å; S225-E617 PolarHBondContact N-OE2 2.95Å; S225-E617 VanDerWaalsContact N-OE2 3.16Å; S225-E617 PolarHBondContact OG-OE1 2.97Å; K245-E617 IonicContact NZ-OE1 2.82Å; K245-E617 PolarHBondContact NZ-OE1 3.2Å; K245-E617 IonicContact NZ-OE2 3.61Å; Y246-E617 PolarHBondContact OH-O 3.02Å; K613-E617 VanDerWaalsContact O-CB 3.31Å; K613-E617 WeakPolarHBondContact O-CB 3.24Å; K613-E617 PolarHBondContact O-N 3.29Å; I614-E617 PolarHBondContact O-N 2.66Å; V615-E617 VanDerWaalsContact C-N 3.33Å; V615-E617 PolarHBondContact O-N 2.85Å; E617-I619 PolarHBondContact O-N 3.36Å; E617-G620 PolarHBondContact O-N 3.06Å; E617-G621 WeakPolarHBondContact O-CA 3.27Å; E617-G621 PolarHBondContact O-N 3.09Å; E617-T645 HydrophobicContact CG-CG2 4.02Å
618F96.5Very high92.1Very high0 Ų019.9 Ų19.90%012%0.116CC..Hα-helixtrans-61.2-44175.5-89.4-70.3000112.4H219 W222 K245 Y246 I557 I614 V615 Y622H219-F618 HydrophobicContact CB-CE2 4.45Å; H219-F618 AromaticContact ND1-CZ 3.88Å; W222-F618 AromaticContact CD1-CE2 3.88Å; W222-F618 AromaticContact CD1-CZ 3.81Å; W222-F618 AromaticContact NE1-CZ 3.67Å; K245-F618 HydrophobicContact CD-CE1 4.5Å; K245-F618 HydrophobicContact CG-CE1 3.76Å; K245-F618 HydrophobicContact CG-CZ 4.02Å; Y246-F618 HydrophobicContact CD1-CD1 4.47Å; Y246-F618 HydrophobicContact CE1-CD1 4.14Å; I557-F618 HydrophobicContact CD1-CB 4.04Å; I557-F618 HydrophobicContact CD1-CD2 4.34Å; I557-F618 HydrophobicContact CD1-CG 4.38Å; I557-F618 HydrophobicContact CG2-CB 3.99Å; I614-F618 HydrophobicContact CG2-CD2 3.71Å; I614-F618 HydrophobicContact CG2-CE2 3.64Å; I614-F618 VanDerWaalsContact O-CD2 3.24Å; I614-F618 WeakPolarHBondContact O-CD2 3.37Å; I614-F618 PolarHBondContact O-N 3.38Å; V615-F618 PolarHBondContact O-N 3Å; F618-Y622 HydrophobicContact CD1-CD2 4.46Å; F618-Y622 AromaticContact CD1-CE2 3.88Å; F618-Y622 HydrophobicContact CD1-CE2 3.88Å; F618-Y622 WeakPolarHBondContact O-CB 3.48Å; F618-Y622 WeakPolarHBondContact O-CD2 3.37Å; F618-Y622 PolarHBondContact O-N 3.47Å
619I96.1Very high90.7Very high0 Ų020.4 Ų20.40%012%0.123CC..Hα-helixtrans-63.4-52.7177.2-64.6-174.8000110.2L562 Y578 M581 W584 M593 I595 V615 H616 E617 G621 Y622 I623L562-I619 HydrophobicContact CD1-CD1 3.99Å; L562-I619 HydrophobicContact CD2-CD1 4.26Å; L562-I619 HydrophobicContact CD2-CG1 4.3Å; Y578-I619 HydrophobicContact CE2-CG2 4.38Å; M581-I619 HydrophobicContact CE-CD1 4.36Å; M581-I619 HydrophobicContact CE-CG2 4.06Å; M581-I619 HydrophobicContact SD-CG2 3.93Å; W584-I619 HydrophobicContact CD2-CG2 4Å; W584-I619 HydrophobicContact CE3-CG2 4.11Å; W584-I619 HydrophobicContact CH2-CG2 4.49Å; W584-I619 HydrophobicContact CZ2-CG2 4.38Å; W584-I619 HydrophobicContact CZ3-CG2 4.37Å; M593-I619 HydrophobicContact CE-CD1 3.52Å; M593-I619 HydrophobicContact CE-CG1 4.4Å; M593-I619 HydrophobicContact SD-CD1 4.29Å; I595-I619 HydrophobicContact CD1-CD1 3.54Å; V615-I619 HydrophobicContact CG1-CD1 4.34Å; V615-I619 WeakPolarHBondContact O-CG1 3.36Å; V615-I619 PolarHBondContact O-N 3.41Å; H616-I619 PolarHBondContact O-N 2.9Å; E617-I619 PolarHBondContact O-N 3.36Å; I619-G621 VanDerWaalsContact C-N 3.32Å; I619-G621 PolarHBondContact O-N 3.26Å; I619-Y622 PolarHBondContact O-N 3.03Å; I619-I623 HydrophobicContact CG2-CD1 3.79Å; I619-I623 VanDerWaalsContact O-CG1 3.29Å; I619-I623 WeakPolarHBondContact O-CG1 3.21Å; I619-I623 PolarHBondContact O-N 3.47Å
620G95.6Very high89.3Confident0 Ų029 Ų290%015%0.151CC..Hα-helixtrans-60.4-40.8179.900000113H616 E617 I623 F624H616-G620 PolarHBondContact O-N 3Å; E617-G620 PolarHBondContact O-N 3.06Å; G620-I623 PolarHBondContact O-N 2.91Å; G620-F624 WeakPolarHBondContact O-CB 3.48Å; G620-F624 PolarHBondContact O-N 3.14Å
621G95.7Very high87.9Confident0 Ų031.8 Ų31.80%016%0.161CC..Hα-helixtrans-67.2-45.9178.200000112.8E617 I619 I623 F624 M625E617-G621 WeakPolarHBondContact O-CA 3.27Å; E617-G621 PolarHBondContact O-N 3.09Å; I619-G621 VanDerWaalsContact C-N 3.32Å; I619-G621 PolarHBondContact O-N 3.26Å; G621-I623 VanDerWaalsContact C-N 3.31Å; G621-I623 PolarHBondContact O-N 3.29Å; G621-F624 WeakPolarHBondContact O-CB 3.41Å; G621-F624 PolarHBondContact O-N 3.46Å; G621-F624 VanDerWaalsContact O-N 3.17Å; G621-M625 VanDerWaalsContact O-CG 3.3Å; G621-M625 WeakPolarHBondContact O-CG 3.36Å; G621-M625 PolarHBondContact O-N 3.33Å
622Y95.6Very high86.3Confident3 Ų338 Ų381%0.01219%0.185CC..Hα-helixtrans-64.7-35.5174.5-79.1-55.1000112.7Y246 G538 I557 P559 F618 I619 M625 S626Y246-Y622 AromaticContact CD1-CD1 3.9Å; Y246-Y622 HydrophobicContact CD1-CD1 3.9Å; Y246-Y622 HydrophobicContact CD1-CD2 4.38Å; Y246-Y622 AromaticContact CD1-CE1 3.98Å; Y246-Y622 HydrophobicContact CD1-CE1 3.98Å; Y246-Y622 HydrophobicContact CD1-CE2 4.42Å; Y246-Y622 HydrophobicContact CD1-CG 4.12Å; G538-Y622 PolarHBondContact O-OH 2.81Å; I557-Y622 HydrophobicContact CG2-CD2 4.11Å; I557-Y622 HydrophobicContact CG2-CE2 4.05Å; P559-Y622 VanDerWaalsContact CA-CD1 3.49Å; P559-Y622 HydrophobicContact CB-CD1 3.94Å; P559-Y622 HydrophobicContact CB-CE1 3.93Å; P559-Y622 HydrophobicContact CG-CD1 4.21Å; P559-Y622 HydrophobicContact CG-CE1 3.67Å; F618-Y622 HydrophobicContact CD1-CD2 4.46Å; F618-Y622 AromaticContact CD1-CE2 3.88Å; F618-Y622 HydrophobicContact CD1-CE2 3.88Å; F618-Y622 WeakPolarHBondContact O-CB 3.48Å; F618-Y622 WeakPolarHBondContact O-CD2 3.37Å; F618-Y622 PolarHBondContact O-N 3.47Å; I619-Y622 PolarHBondContact O-N 3.03Å; Y622-M625 PolarHBondContact O-N 3.2Å; Y622-S626 PolarHBondContact O-N 3.19Å
623I93.6Very high85Confident40 Ų4040.4 Ų40.421%0.20520%0.202CC..Hα-helixtrans-62.4-46.1171.7-69.6168.9000110.1Y578 W584 I619 G620 G621 M625 S626 T627 L644Y578-I623 HydrophobicContact CD2-CG1 3.86Å; Y578-I623 HydrophobicContact CE2-CG1 4.14Å; W584-I623 HydrophobicContact CE3-CD1 4.21Å; W584-I623 HydrophobicContact CH2-CD1 3.61Å; W584-I623 HydrophobicContact CZ3-CD1 3.37Å; I619-I623 HydrophobicContact CG2-CD1 3.79Å; I619-I623 VanDerWaalsContact O-CG1 3.29Å; I619-I623 WeakPolarHBondContact O-CG1 3.21Å; I619-I623 PolarHBondContact O-N 3.47Å; G620-I623 PolarHBondContact O-N 2.91Å; G621-I623 VanDerWaalsContact C-N 3.31Å; G621-I623 PolarHBondContact O-N 3.29Å; I623-M625 PolarHBondContact O-N 3.21Å; I623-S626 WeakPolarHBondContact O-CB 3.49Å; I623-S626 PolarHBondContact O-N 2.91Å; I623-S626 VanDerWaalsContact O-N 3.14Å; I623-S626 PolarHBondContact O-OG 2.93Å; I623-T627 PolarHBondContact O-N 3.34Å; I623-L644 HydrophobicContact CG2-CD1 4.15Å; I623-L644 HydrophobicContact CG2-CD2 4.31Å
624F93.3Very high83.7Confident1 Ų142.7 Ų42.70%0.00422%0.215CC..Hα-helixtrans-58.5-46.3174.4178.7-96.7000112.3E126 G620 G621 S626 T627 R628 L636 N637 L640 F641 L644E126-F624 HydrophobicContact CB-CE1 4Å; E126-F624 HydrophobicContact CG-CE1 4.24Å; G620-F624 WeakPolarHBondContact O-CB 3.48Å; G620-F624 PolarHBondContact O-N 3.14Å; G621-F624 WeakPolarHBondContact O-CB 3.41Å; G621-F624 PolarHBondContact O-N 3.46Å; G621-F624 VanDerWaalsContact O-N 3.17Å; F624-S626 PolarHBondContact O-N 2.8Å; F624-T627 PolarHBondContact O-N 2.92Å; F624-T627 PolarHBondContact O-OG1 3.36Å; F624-R628 HydrophobicContact CE1-CG 4.43Å; F624-R628 PolarHBondContact O-N 3Å; F624-L636 HydrophobicContact CE1-CD2 4.06Å; F624-L636 HydrophobicContact CZ-CD2 3.93Å; F624-N637 HydrophobicContact CE2-CB 4.47Å; F624-N637 WeakPolarHBondContact CE2-O 3.37Å; F624-L640 HydrophobicContact CD2-CD2 4.28Å; F624-L640 HydrophobicContact CD2-CG 4.21Å; F624-L640 HydrophobicContact CE2-CB 4.46Å; F624-F641 HydrophobicContact CB-CD2 4.31Å; F624-F641 AromaticContact CD1-CD2 3.75Å; F624-F641 HydrophobicContact CD1-CD2 3.75Å; F624-F641 HydrophobicContact CD2-CB 3.92Å; F624-F641 HydrophobicContact CD2-CD2 4.32Å; F624-F641 HydrophobicContact CE1-CD2 4.11Å; F624-F641 HydrophobicContact CE2-CB 3.81Å; F624-F641 HydrophobicContact CG-CB 4.32Å; F624-F641 AromaticContact CG-CD2 3.86Å; F624-F641 HydrophobicContact CG-CD2 3.86Å; F624-F641 HydrophobicContact CZ-CB 4.13Å; F624-L644 HydrophobicContact CB-CD1 3.91Å; F624-L644 HydrophobicContact CD2-CD1 4.46Å
625M91.6Very high83Confident12 Ų1244.9 Ų44.96%0.05923%0.229CC..Hα-helixtrans-58.9-34.9176.4-66.7-52.4-64.300112E126 E127 Y246 S248 G621 Y622 I623 T627 R628E126-M625 HydrophobicContact CB-SD 4.06Å; E126-M625 HydrophobicContact CG-CE 3.88Å; E126-M625 HydrophobicContact CG-SD 3.47Å; E126-M625 WeakPolarHBondContact CG-SD 3.27Å; E127-M625 HydrophobicContact CG-CE 3.5Å; Y246-M625 HydrophobicContact CG-CG 4.16Å; S248-M625 VanDerWaalsContact O-CE 3.28Å; S248-M625 WeakPolarHBondContact O-CE 3.42Å; G621-M625 VanDerWaalsContact O-CG 3.3Å; G621-M625 WeakPolarHBondContact O-CG 3.36Å; G621-M625 PolarHBondContact O-N 3.33Å; Y622-M625 PolarHBondContact O-N 3.2Å; I623-M625 PolarHBondContact O-N 3.21Å; M625-T627 VanDerWaalsContact C-N 3.29Å; M625-T627 PolarHBondContact O-N 3.08Å; M625-R628 WeakPolarHBondContact O-CB 3.39Å; M625-R628 PolarHBondContact O-N 3.18Å
626S89Confident82.5Confident66 Ų6645.1 Ų45.146%0.46223%0.23SC..Hα-helixtrans-70.6-20.117780.80000114.2Y622 I623 F624 S629Y622-S626 PolarHBondContact O-N 3.19Å; I623-S626 WeakPolarHBondContact O-CB 3.49Å; I623-S626 PolarHBondContact O-N 2.91Å; I623-S626 VanDerWaalsContact O-N 3.14Å; I623-S626 PolarHBondContact O-OG 2.93Å; F624-S626 PolarHBondContact O-N 2.8Å; S626-S629 PolarHBondContact O-OG 2.91Å
627T85.5Confident82.2Confident37 Ų3747.4 Ų47.423%0.22724%0.243CC..Hα-helixtrans-79.7-26.3174.268.30000111.9I623 F624 M625 S629 R630 E631I623-T627 PolarHBondContact O-N 3.34Å; F624-T627 PolarHBondContact O-N 2.92Å; F624-T627 PolarHBondContact O-OG1 3.36Å; M625-T627 VanDerWaalsContact C-N 3.29Å; M625-T627 PolarHBondContact O-N 3.08Å; T627-S629 VanDerWaalsContact C-N 3.29Å; T627-S629 PolarHBondContact O-N 3.27Å; T627-R630 PolarHBondContact O-N 3.49Å; T627-R630 VanDerWaalsContact O-N 3.07Å; T627-E631 PolarHBondContact O-N 3.32Å
628R77.1Confident81.9Confident7 Ų748.5 Ų48.53%0.02625%0.248CC..Hα-helixtrans-61.3-34.4177.3-62.5-72.5-87.7153.1-6.3112.5E126 F624 M625 R630 E631 S633 L636E126-R628 IonicContact OE1-CZ 3.93Å; E126-R628 VanDerWaalsContact OE1-CZ 3.23Å; E126-R628 IonicContact OE1-NE 2.98Å; E126-R628 PolarHBondContact OE1-NE 3.18Å; E126-R628 IonicContact OE1-NH2 3.52Å; E126-R628 PolarHBondContact OE1-NH2 3.26Å; E126-R628 IonicContact OE2-NH2 3.23Å; F624-R628 HydrophobicContact CE1-CG 4.43Å; F624-R628 PolarHBondContact O-N 3Å; M625-R628 WeakPolarHBondContact O-CB 3.39Å; M625-R628 PolarHBondContact O-N 3.18Å; R628-R630 PolarHBondContact O-N 3.39Å; R628-E631 PolarHBondContact O-N 2.9Å; R628-E631 VanDerWaalsContact O-O 3.12Å; R628-S633 PolarHBondContact NH1-O 3.3Å; R628-L636 VanDerWaalsContact NH2-CD2 3.32Å
629S62.7Low81.5Confident85 Ų8556.1 Ų56.159%0.59428%0.284SS*.THydrogen-bonded Turntrans-64.8-13.3177.276.10000114.1S626 T627S626-S629 PolarHBondContact O-OG 2.91Å; T627-S629 VanDerWaalsContact C-N 3.29Å; T627-S629 PolarHBondContact O-N 3.27Å
630R58.3Low81.3Confident221 Ų22158.5 Ų58.583%0.83430%0.296SS*.THydrogen-bonded Turntrans-101.8-25.8178.4-61.3-178.8179-178.3-0.4112.5T627 R628T627-R630 PolarHBondContact O-N 3.49Å; T627-R630 VanDerWaalsContact O-N 3.07Å; R628-R630 PolarHBondContact O-N 3.39Å
631E58.6Low81.2Confident73 Ų7358.6 Ų58.634%0.34130%0.297SS..  trans-94.9111.4-179.3-71.5-177.8171.700110.3T627 R628 S633T627-E631 PolarHBondContact O-N 3.32Å; R628-E631 PolarHBondContact O-N 2.9Å; R628-E631 VanDerWaalsContact O-O 3.12Å; E631-S633 PolarHBondContact O-N 3.42Å
632K57.7Low81Confident204 Ų20460.1 Ų60.189%0.88730%0.304SS*.  trans-74.416.5171.6-63.3-175177.2-176.70113.4
633S64.7Low80.8Confident55 Ų5568.2 Ų68.239%0.38534%0.339SS..  trans-95.8128.7-175.4-177.80000110.7R628 E631 T635R628-S633 PolarHBondContact NH1-O 3.3Å; E631-S633 PolarHBondContact O-N 3.42Å; S633-T635 PolarHBondContact O-N 3.21Å; S633-T635 PolarHBondContact OG-N 3.46Å
634D66.1Low80.7Confident69 Ų6967.6 Ų67.637%0.36934%0.336SS..SBendtrans-71.1-2.9171.6-67.8-22.2000112.9F165F165-D634 PolarHBondContact N-O 3.22Å
635T78.6Confident80.7Confident56 Ų5667.6 Ų67.634%0.34434%0.336SS..BIsolated β-bridgetrans-90.6128.6177.5-48.90000110.6T163 S633T163-T635 WeakPolarHBondContact O-CA 3.27Å; T163-T635 WeakPolarHBondContact O-CG2 3.39Å; S633-T635 PolarHBondContact O-N 3.21Å; S633-T635 PolarHBondContact OG-N 3.46Å
636L84.9Confident80.2Confident5 Ų567.1 Ų67.13%0.02634%0.335CS..  trans-81.4131176.9-77.6167000111.8M114 P125 E126 T163 F165 F624 R628 E638M114-L636 HydrophobicContact CE-CD1 3.98Å; M114-L636 HydrophobicContact SD-CD1 4.43Å; P125-L636 HydrophobicContact CG-CD1 3.86Å; E126-L636 HydrophobicContact CB-CD2 4.13Å; E126-L636 HydrophobicContact CG-CD2 4.05Å; E126-L636 WeakPolarHBondContact OE2-CD1 3.25Å; T163-L636 PolarHBondContact O-N 3.14Å; F165-L636 HydrophobicContact CD2-CD1 3.9Å; F165-L636 HydrophobicContact CE2-CD1 3.84Å; F624-L636 HydrophobicContact CE1-CD2 4.06Å; F624-L636 HydrophobicContact CZ-CD2 3.93Å; R628-L636 VanDerWaalsContact NH2-CD2 3.32Å; L636-E638 PolarHBondContact O-N 2.9Å; L636-E638 VanDerWaalsContact O-N 3.1Å
637N88.9Confident79.2Confident62 Ų6265.4 Ų65.433%0.33233%0.327SS..  trans-82.480.7172.3-169.4-23.2000110.7F624 E639 L640 F641F624-N637 HydrophobicContact CE2-CB 4.47Å; F624-N637 WeakPolarHBondContact CE2-O 3.37Å; N637-E639 VanDerWaalsContact C-N 3.28Å; N637-E639 PolarHBondContact O-N 3.14Å; N637-L640 HydrophobicContact CB-CB 4.09Å; N637-L640 VanDerWaalsContact CG-CB 3.47Å; N637-L640 PolarHBondContact O-N 2.87Å; N637-L640 WeakPolarHBondContact OD1-CB 3.45Å; N637-L640 PolarHBondContact OD1-N 3Å; N637-F641 PolarHBondContact O-N 2.98Å; N637-F641 VanDerWaalsContact O-N 3.09Å
638E88.9Confident77.7Confident22 Ų2272 Ų7210%0.10336%0.355CS..Hα-helixtrans-60.4-36.8-178.2-57-173-154.700112.8F110 Q111 M114 T163 L636 L640 F641 H642F110-E638 HydrophobicContact CE1-CB 4.43Å; F110-E638 HydrophobicContact CE1-CG 4.1Å; Q111-E638 WeakPolarHBondContact CG-OE2 3.46Å; Q111-E638 PolarHBondContact NE2-OE2 2.93Å; M114-E638 HydrophobicContact CE-CG 4.32Å; M114-E638 WeakPolarHBondContact CE-OE1 3.17Å; T163-E638 HydrophobicContact CG2-CG 4.21Å; T163-E638 WeakPolarHBondContact CG2-OE1 3.28Å; L636-E638 PolarHBondContact O-N 2.9Å; L636-E638 VanDerWaalsContact O-N 3.1Å; E638-L640 VanDerWaalsContact C-N 3.35Å; E638-L640 PolarHBondContact O-N 3.5Å; E638-F641 PolarHBondContact O-N 3.09Å; E638-H642 PolarHBondContact O-CD2 3.11Å; E638-H642 PolarHBondContact O-N 3.2Å
639E89.5Confident76.5Confident161 Ų16177.9 Ų77.975%0.75238%0.383SS*.Hα-helixtrans-61.6-45178.6-173.1-176168.500110.8N637 H642 K643N637-E639 VanDerWaalsContact C-N 3.28Å; N637-E639 PolarHBondContact O-N 3.14Å; E639-H642 PolarHBondContact O-N 2.87Å; E639-K643 VanDerWaalsContact O-CB 3.3Å; E639-K643 WeakPolarHBondContact O-CB 3.4Å; E639-K643 PolarHBondContact O-N 2.88Å
640L91.4Very high75.3Confident49 Ų4975.7 Ų75.726%0.25737%0.37SS..Hα-helixtrans-63.5-43.2175.2-179.262.2000111.5F624 N637 E638 H642 K643 L644F624-L640 HydrophobicContact CD2-CD2 4.28Å; F624-L640 HydrophobicContact CD2-CG 4.21Å; F624-L640 HydrophobicContact CE2-CB 4.46Å; N637-L640 HydrophobicContact CB-CB 4.09Å; N637-L640 VanDerWaalsContact CG-CB 3.47Å; N637-L640 PolarHBondContact O-N 2.87Å; N637-L640 WeakPolarHBondContact OD1-CB 3.45Å; N637-L640 PolarHBondContact OD1-N 3Å; E638-L640 VanDerWaalsContact C-N 3.35Å; E638-L640 PolarHBondContact O-N 3.5Å; L640-H642 PolarHBondContact O-N 3.5Å; L640-K643 PolarHBondContact O-N 3.27Å; L640-L644 HydrophobicContact CD1-CD1 3.95Å; L640-L644 HydrophobicContact CD1-CG 4.13Å; L640-L644 HydrophobicContact CG-CD1 3.91Å; L640-L644 HydrophobicContact CG-CG 4.48Å; L640-L644 VanDerWaalsContact O-CG 3.28Å; L640-L644 WeakPolarHBondContact O-CG 3.48Å; L640-L644 PolarHBondContact O-N 3.4Å
641F92.6Very high74.2Confident2 Ų276.9 Ų76.91%0.00939%0.391CS..Hα-helixtrans-57.7-49.5176.4-179.9-92.3000111.1F110 F624 N637 E638 K643 L644 T645F110-F641 HydrophobicContact CB-CD1 4.23Å; F110-F641 HydrophobicContact CB-CE1 3.82Å; F110-F641 AromaticContact CD1-CD1 3.71Å; F110-F641 HydrophobicContact CD1-CD1 3.71Å; F110-F641 HydrophobicContact CD1-CE1 4.09Å; F110-F641 HydrophobicContact CD1-CG 4.26Å; F110-F641 AromaticContact CD2-CD1 3.8Å; F110-F641 HydrophobicContact CD2-CD1 3.8Å; F110-F641 HydrophobicContact CD2-CD2 4.37Å; F110-F641 AromaticContact CD2-CE1 3.43Å; F110-F641 HydrophobicContact CD2-CE1 3.43Å; F110-F641 VanDerWaalsContact CD2-CE1 3.43Å; F110-F641 HydrophobicContact CD2-CE2 4.04Å; F110-F641 HydrophobicContact CD2-CG 4.26Å; F110-F641 AromaticContact CD2-CZ 3.56Å; F110-F641 HydrophobicContact CD2-CZ 3.56Å; F110-F641 HydrophobicContact CE1-CB 4.17Å; F110-F641 AromaticContact CE1-CD1 3.94Å; F110-F641 HydrophobicContact CE1-CD1 3.94Å; F110-F641 AromaticContact CE1-CG 3.99Å; F110-F641 HydrophobicContact CE1-CG 3.99Å; F110-F641 HydrophobicContact CE2-CD1 4.01Å; F110-F641 AromaticContact CE2-CD2 3.9Å; F110-F641 HydrophobicContact CE2-CD2 3.9Å; F110-F641 AromaticContact CE2-CE1 3.96Å; F110-F641 HydrophobicContact CE2-CE1 3.96Å; F110-F641 AromaticContact CE2-CE2 3.83Å; F110-F641 HydrophobicContact CE2-CE2 3.83Å; F110-F641 AromaticContact CE2-CG 3.99Å; F110-F641 HydrophobicContact CE2-CG 3.99Å; F110-F641 AromaticContact CE2-CZ 3.86Å; F110-F641 HydrophobicContact CE2-CZ 3.86Å; F110-F641 AromaticContact CG-CD1 3.64Å; F110-F641 HydrophobicContact CG-CD1 3.64Å; F110-F641 AromaticContact CG-CE1 3.51Å; F110-F641 HydrophobicContact CG-CE1 3.51Å; F110-F641 HydrophobicContact CG-CG 4.39Å; F110-F641 HydrophobicContact CG-CZ 4.14Å; F110-F641 HydrophobicContact CZ-CB 4.27Å; F110-F641 HydrophobicContact CZ-CD1 4.09Å; F110-F641 HydrophobicContact CZ-CD2 4.06Å; F110-F641 HydrophobicContact CZ-CE1 4.49Å; F110-F641 HydrophobicContact CZ-CE2 4.45Å; F110-F641 AromaticContact CZ-CG 3.86Å; F110-F641 HydrophobicContact CZ-CG 3.86Å; F624-F641 HydrophobicContact CB-CD2 4.31Å; F624-F641 AromaticContact CD1-CD2 3.75Å; F624-F641 HydrophobicContact CD1-CD2 3.75Å; F624-F641 HydrophobicContact CD2-CB 3.92Å; F624-F641 HydrophobicContact CD2-CD2 4.32Å; F624-F641 HydrophobicContact CE1-CD2 4.11Å; F624-F641 HydrophobicContact CE2-CB 3.81Å; F624-F641 HydrophobicContact CG-CB 4.32Å; F624-F641 AromaticContact CG-CD2 3.86Å; F624-F641 HydrophobicContact CG-CD2 3.86Å; F624-F641 HydrophobicContact CZ-CB 4.13Å; N637-F641 PolarHBondContact O-N 2.98Å; N637-F641 VanDerWaalsContact O-N 3.09Å; E638-F641 PolarHBondContact O-N 3.09Å; F641-K643 PolarHBondContact O-N 3.44Å; F641-L644 PolarHBondContact O-N 2.95Å; F641-T645 HydrophobicContact CD1-CG2 4.46Å; F641-T645 HydrophobicContact CD2-CG2 4.21Å; F641-T645 HydrophobicContact CE1-CG2 4.11Å; F641-T645 WeakPolarHBondContact CE1-OG1 3.19Å; F641-T645 HydrophobicContact CE2-CG2 3.85Å; F641-T645 HydrophobicContact CZ-CG2 3.8Å; F641-T645 WeakPolarHBondContact O-CB 3.34Å; F641-T645 WeakPolarHBondContact O-CG2 3.47Å; F641-T645 PolarHBondContact O-N 3.16Å; F641-T645 PolarHBondContact O-OG1 3.01Å
642H91.6Very high75Confident33 Ų3377.1 Ų77.115%0.15339%0.394CS..Hα-helixtrans-67.2-33.6178.8-73.6-57.2000112.9E638 E639 L640 L644 G646E638-H642 PolarHBondContact O-CD2 3.11Å; E638-H642 PolarHBondContact O-N 3.2Å; E639-H642 PolarHBondContact O-N 2.87Å; L640-H642 PolarHBondContact O-N 3.5Å; H642-L644 VanDerWaalsContact C-N 3.32Å; H642-L644 PolarHBondContact O-N 3.18Å; H642-G646 VanDerWaalsContact O-CA 3.22Å; H642-G646 WeakPolarHBondContact O-CA 3.23Å; H642-G646 PolarHBondContact O-N 3.09Å
643K91.2Very high75.9Confident172 Ų17270.4 Ų70.475%0.74837%0.368SS*.Hα-helixtrans-62.6-39.4172.6-175.6177.3-179177.10112.1E639 L640 F641E639-K643 VanDerWaalsContact O-CB 3.3Å; E639-K643 WeakPolarHBondContact O-CB 3.4Å; E639-K643 PolarHBondContact O-N 2.88Å; L640-K643 PolarHBondContact O-N 3.27Å; F641-K643 PolarHBondContact O-N 3.44Å
644L92.8Very high76.5Confident28 Ų2871.2 Ų71.215%0.14737%0.367CS..Hα-helixtrans-80.2-32.1-179.2-65.8169.9000112.6W584 H616 I623 F624 L640 F641 H642W584-L644 HydrophobicContact CH2-CD2 3.86Å; H616-L644 PolarHBondContact NE2-O 3.13Å; I623-L644 HydrophobicContact CG2-CD1 4.15Å; I623-L644 HydrophobicContact CG2-CD2 4.31Å; F624-L644 HydrophobicContact CB-CD1 3.91Å; F624-L644 HydrophobicContact CD2-CD1 4.46Å; L640-L644 HydrophobicContact CD1-CD1 3.95Å; L640-L644 HydrophobicContact CD1-CG 4.13Å; L640-L644 HydrophobicContact CG-CD1 3.91Å; L640-L644 HydrophobicContact CG-CG 4.48Å; L640-L644 VanDerWaalsContact O-CG 3.28Å; L640-L644 WeakPolarHBondContact O-CG 3.48Å; L640-L644 PolarHBondContact O-N 3.4Å; F641-L644 PolarHBondContact O-N 2.95Å; H642-L644 VanDerWaalsContact C-N 3.32Å; H642-L644 PolarHBondContact O-N 3.18Å
645T92.5Very high77.1Confident0 Ų071.4 Ų71.40%037%0.367CS..Hα-helixtrans-109.1-23-170.961.40000114.3K613 H616 E617 F641K613-T645 PolarHBondContact NZ-O 3.23Å; H616-T645 PolarHBondContact CD2-O 2.86Å; H616-T645 PolarHBondContact NE2-O 3.1Å; E617-T645 HydrophobicContact CG-CG2 4.02Å; F641-T645 HydrophobicContact CD1-CG2 4.46Å; F641-T645 HydrophobicContact CD2-CG2 4.21Å; F641-T645 HydrophobicContact CE1-CG2 4.11Å; F641-T645 WeakPolarHBondContact CE1-OG1 3.19Å; F641-T645 HydrophobicContact CE2-CG2 3.85Å; F641-T645 HydrophobicContact CZ-CG2 3.8Å; F641-T645 WeakPolarHBondContact O-CB 3.34Å; F641-T645 WeakPolarHBondContact O-CG2 3.47Å; F641-T645 PolarHBondContact O-N 3.16Å; F641-T645 PolarHBondContact O-OG1 3.01Å
646G80.7Confident77Confident3 Ų372.3 Ų72.33%0.03137%0.368CS..SBendtrans-73.9-31.6-169.400000115.6K613 H642K613-G646 PolarHBondContact NZ-O 3.27Å; H642-G646 VanDerWaalsContact O-CA 3.22Å; H642-G646 WeakPolarHBondContact O-CA 3.23Å; H642-G646 PolarHBondContact O-N 3.09Å
647G68.6Low76.5Confident30 Ų3076.8 Ų76.831%0.30939%0.391SS..G310 helixtrans69.1-155.7-172.800000111.8E649G647-E649 PolarHBondContact O-N 2.94Å
648H54.8Low75.6Confident176 Ų17677.9 Ų77.982%0.81540%0.395SS*.G310 helixtrans-70.3-11.7-173.7-111.7-68.4000115
649E51.8Low74.6Confident130 Ų13082.2 Ų82.261%0.60742%0.418SS*.G310 helixtrans-93.7-8.1-176.9-67.1-169.7165.100114R227 G647 L651R227-E649 IonicContact CZ-OE2 3.77Å; R227-E649 VanDerWaalsContact CZ-OE2 3.28Å; R227-E649 IonicContact NE-OE2 3.95Å; R227-E649 PolarHBondContact NE-OE2 3.24Å; R227-E649 IonicContact NH2-OE1 3.99Å; R227-E649 PolarHBondContact NH2-OE1 3.45Å; R227-E649 VanDerWaalsContact NH2-OE1 3.14Å; R227-E649 IonicContact NH2-OE2 2.73Å; R227-E649 PolarHBondContact NH2-OE2 3.42Å; G647-E649 PolarHBondContact O-N 2.94Å; E649-L651 PolarHBondContact O-N 2.96Å; E649-L651 VanDerWaalsContact O-N 3.16Å
650A37.9Very low73.3Confident39 Ų3975.6 Ų75.632%0.32239%0.39SS..  trans-88.979.5-178.600000111
651L34Very low71.7Confident245 Ų24578 Ų78100%1.28340%0.402SS*.  trans-173.60147.9-97.8161.6000111.2E649E649-L651 PolarHBondContact O-N 2.96Å; E649-L651 VanDerWaalsContact O-N 3.16Å

Retrieved 651 of 651 residues in 656.1 ms (Link to these results)

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