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Xanthine phosphoribosyltransferase

Converts the preformed base xanthine, a product of nucleic acid breakdown, to xanthosine 5'-monophosphate (XMP), so it can be reused for RNA or DNA synthesis.

AlphaFold DB (Q2G0Y9), UniProt , Accession Q99WJ1, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene xpt, Length 192 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
1M89.6Confident95.4Very high64 Ų6467.7 Ų67.732%0.31533%0.325SS..  0115.20172.9-177.8151.200108.3L3 L4 G5 L34 E37 V38 L175M1-L3 HydrophobicContact CE-CB 3.77Å; M1-L3 HydrophobicContact CE-CD2 3.83Å; M1-L3 HydrophobicContact CE-CG 4.03Å; M1-L3 HydrophobicContact CG-CB 4.45Å; M1-L4 HydrophobicContact CB-CB 4.25Å; M1-L4 HydrophobicContact CE-CB 3.79Å; M1-L4 HydrophobicContact CG-CB 4.04Å; M1-L4 PolarHBondContact O-N 3.4Å; M1-L4 HydrophobicContact SD-CB 3.88Å; M1-G5 PolarHBondContact O-N 3.09Å; M1-G5 VanDerWaalsContact O-N 3.08Å; M1-L34 HydrophobicContact CE-CD1 3.52Å; M1-E37 HydrophobicContact CE-CB 4.02Å; M1-V38 HydrophobicContact CE-CG2 4.29Å; M1-V38 HydrophobicContact SD-CG2 4.26Å; M1-L175 HydrophobicContact CB-CB 4.26Å; M1-L175 PolarHBondContact N-O 2.94Å; M1-L175 HydrophobicContact SD-CD1 4.32Å
2E93.1Very high95.5Very high150 Ų15063.4 Ų63.470%0.70131%0.311SS*.Hα-helixtrans-60.2-48.4-174.5-173.7179.217900112.5L4 G5 Q6E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 2.68Å; E2-G5 PolarHBondContact O-N 3.41Å; E2-G5 VanDerWaalsContact O-N 3.08Å; E2-Q6 HydrophobicContact CG-CG 4.44Å; E2-Q6 WeakPolarHBondContact O-CG 3.22Å; E2-Q6 PolarHBondContact O-N 3.4Å; E2-Q6 PolarHBondContact OE1-NE2 2.96Å
3L95.5Very high95.5Very high87 Ų8764.8 Ų64.846%0.45533%0.326SS..Hα-helixtrans-53.8-43.9179.1178.367.5000112.7M1 K7 L34 E37M1-L3 HydrophobicContact CE-CB 3.77Å; M1-L3 HydrophobicContact CE-CD2 3.83Å; M1-L3 HydrophobicContact CE-CG 4.03Å; M1-L3 HydrophobicContact CG-CB 4.45Å; L3-K7 WeakPolarHBondContact O-CB 3.49Å; L3-K7 PolarHBondContact O-N 3.17Å; L3-L34 HydrophobicContact CD2-CD1 3.87Å; L3-L34 HydrophobicContact CG-CD1 3.93Å; L3-E37 HydrophobicContact CD2-CB 4.39Å; L3-E37 HydrophobicContact CD2-CG 4.2Å
4L96.9Very high95.6Very high0 Ų061.4 Ų61.40%031%0.309CS..Hα-helixtrans-70.9-41.3178.7-179.462.7000111.4M1 E2 Q6 K7 V8 F25 L34 V153 L175 C176M1-L4 HydrophobicContact CB-CB 4.25Å; M1-L4 HydrophobicContact CE-CB 3.79Å; M1-L4 HydrophobicContact CG-CB 4.04Å; M1-L4 PolarHBondContact O-N 3.4Å; M1-L4 HydrophobicContact SD-CB 3.88Å; E2-L4 VanDerWaalsContact C-N 3.29Å; E2-L4 PolarHBondContact O-N 2.68Å; L4-Q6 VanDerWaalsContact C-N 3.35Å; L4-Q6 PolarHBondContact O-N 3.47Å; L4-K7 PolarHBondContact O-N 3.49Å; L4-V8 HydrophobicContact CD1-CG2 4.17Å; L4-V8 HydrophobicContact CG-CG2 4.34Å; L4-V8 WeakPolarHBondContact O-CB 3.35Å; L4-V8 WeakPolarHBondContact O-CG2 3.38Å; L4-V8 PolarHBondContact O-N 2.81Å; L4-F25 HydrophobicContact CD1-CE2 4.05Å; L4-L34 HydrophobicContact CD1-CD1 4.4Å; L4-L34 HydrophobicContact CD1-CD2 4.04Å; L4-L34 HydrophobicContact CD1-CG 4.5Å; L4-V153 HydrophobicContact CD1-CG1 4.06Å; L4-V153 HydrophobicContact CD2-CG1 3.57Å; L4-V153 VanDerWaalsContact CD2-O 3.22Å; L4-V153 WeakPolarHBondContact CD2-O 3.32Å; L4-V153 HydrophobicContact CG-CG1 4.47Å; L4-L175 HydrophobicContact CD2-CB 3.8Å; L4-C176 HydrophobicContact CD2-CB 3.6Å; L4-C176 HydrophobicContact CG-CB 3.77Å
5G97Very high95.5Very high5 Ų561.7 Ų61.75%0.05231%0.311CS..Hα-helixtrans-59.8-44.3176.200000112.4M1 E2 V8 K9M1-G5 PolarHBondContact O-N 3.09Å; M1-G5 VanDerWaalsContact O-N 3.08Å; E2-G5 PolarHBondContact O-N 3.41Å; E2-G5 VanDerWaalsContact O-N 3.08Å; G5-V8 PolarHBondContact O-N 3.07Å; G5-K9 WeakPolarHBondContact O-CG 3.45Å; G5-K9 PolarHBondContact O-N 2.84Å; G5-K9 VanDerWaalsContact O-N 3.08Å
6Q96.2Very high95.4Very high85 Ų8565.4 Ų65.440%0.39733%0.333SS..Hα-helixtrans-60.7-49.4173.8-72.3174.5-800111.1E2 L4 V8 K9 E10E2-Q6 HydrophobicContact CG-CG 4.44Å; E2-Q6 WeakPolarHBondContact O-CG 3.22Å; E2-Q6 PolarHBondContact O-N 3.4Å; E2-Q6 PolarHBondContact OE1-NE2 2.96Å; L4-Q6 VanDerWaalsContact C-N 3.35Å; L4-Q6 PolarHBondContact O-N 3.47Å; Q6-V8 VanDerWaalsContact C-N 3.31Å; Q6-V8 PolarHBondContact O-N 3.14Å; Q6-K9 WeakPolarHBondContact O-CB 3.49Å; Q6-K9 PolarHBondContact O-N 3.24Å; Q6-E10 WeakPolarHBondContact O-CG 3.27Å; Q6-E10 PolarHBondContact O-N 3.27Å
7K96.8Very high95.2Very high52 Ų5267.1 Ų67.123%0.22634%0.339CS..Hα-helixtrans-59-41.7179.1-165.563.5160.7167.80112.8L3 L4 K9 D11 F25 L34L3-K7 WeakPolarHBondContact O-CB 3.49Å; L3-K7 PolarHBondContact O-N 3.17Å; L4-K7 PolarHBondContact O-N 3.49Å; K7-K9 VanDerWaalsContact C-N 3.32Å; K7-K9 PolarHBondContact O-N 2.95Å; K7-D11 WeakPolarHBondContact CD-OD2 3.48Å; K7-D11 WeakPolarHBondContact CE-OD2 3.46Å; K7-D11 IonicContact NZ-OD2 3.59Å; K7-D11 PolarHBondContact NZ-OD2 3Å; K7-D11 WeakPolarHBondContact O-CB 3.35Å; K7-D11 PolarHBondContact O-N 3.43Å; K7-F25 HydrophobicContact CD-CD1 4.44Å; K7-F25 HydrophobicContact CG-CB 4.43Å; K7-F25 HydrophobicContact CG-CD1 3.72Å; K7-F25 HydrophobicContact CG-CD2 4.13Å; K7-F25 HydrophobicContact CG-CE1 3.88Å; K7-F25 HydrophobicContact CG-CE2 4.28Å; K7-F25 HydrophobicContact CG-CG 3.84Å; K7-F25 HydrophobicContact CG-CZ 4.15Å; K7-L34 HydrophobicContact CB-CD2 4.39Å; K7-L34 HydrophobicContact CG-CD2 3.98Å
8V97.3Very high94.9Very high0 Ų071.9 Ų71.90%036%0.357CS..Hα-helixtrans-64.7-36.6176.9171.90000111.4L4 G5 Q6 G12 L20 F25 V154 V186L4-V8 HydrophobicContact CD1-CG2 4.17Å; L4-V8 HydrophobicContact CG-CG2 4.34Å; L4-V8 WeakPolarHBondContact O-CB 3.35Å; L4-V8 WeakPolarHBondContact O-CG2 3.38Å; L4-V8 PolarHBondContact O-N 2.81Å; G5-V8 PolarHBondContact O-N 3.07Å; Q6-V8 VanDerWaalsContact C-N 3.31Å; Q6-V8 PolarHBondContact O-N 3.14Å; V8-G12 WeakPolarHBondContact O-CA 3.32Å; V8-G12 PolarHBondContact O-N 3.25Å; V8-L20 HydrophobicContact CG1-CD1 4.34Å; V8-L20 HydrophobicContact CG1-CD2 3.7Å; V8-F25 HydrophobicContact CB-CZ 4.5Å; V8-F25 HydrophobicContact CG2-CE2 4.35Å; V8-F25 HydrophobicContact CG2-CZ 3.72Å; V8-V154 HydrophobicContact CG2-CG2 4.15Å; V8-V186 HydrophobicContact CG1-CG1 4.04Å; V8-V186 HydrophobicContact CG1-CG2 4.37Å
9K96.3Very high94.7Very high90 Ų9072.7 Ų72.739%0.39136%0.362SS..Hα-helixtrans-73.1-40.1177.3-76.9177.9164.3-168.20113.7G5 Q6 K7 V186 L188 E191G5-K9 WeakPolarHBondContact O-CG 3.45Å; G5-K9 PolarHBondContact O-N 2.84Å; G5-K9 VanDerWaalsContact O-N 3.08Å; Q6-K9 WeakPolarHBondContact O-CB 3.49Å; Q6-K9 PolarHBondContact O-N 3.24Å; K7-K9 VanDerWaalsContact C-N 3.32Å; K7-K9 PolarHBondContact O-N 2.95Å; K9-V186 HydrophobicContact CG-CB 4.5Å; K9-V186 HydrophobicContact CG-CG1 4.44Å; K9-L188 HydrophobicContact CD-CD1 4.25Å; K9-L188 HydrophobicContact CG-CD1 4.49Å; K9-E191 WeakPolarHBondContact CE-OE1 3.41Å; K9-E191 WeakPolarHBondContact CE-OE2 3.25Å; K9-E191 IonicContact NZ-OE1 2.94Å; K9-E191 PolarHBondContact NZ-OE1 3.28Å; K9-E191 IonicContact NZ-OE2 2.61Å; K9-E191 PolarHBondContact NZ-OE2 3.45Å
10E95.6Very high94.8Very high146 Ų14669.8 Ų69.868%0.68235%0.348SS*.Hα-helixtrans-78.1-44.6-175.4-69.9174.8176.400111.8Q6Q6-E10 WeakPolarHBondContact O-CG 3.27Å; Q6-E10 PolarHBondContact O-N 3.27Å
11D95.4Very high94.8Very high66 Ų6670.9 Ų70.935%0.35335%0.35SS..Hα-helixtrans-106.2-11.1-171.8-65.95.9000112.9K7 F25K7-D11 WeakPolarHBondContact CD-OD2 3.48Å; K7-D11 WeakPolarHBondContact CE-OD2 3.46Å; K7-D11 IonicContact NZ-OD2 3.59Å; K7-D11 PolarHBondContact NZ-OD2 3Å; K7-D11 WeakPolarHBondContact O-CB 3.35Å; K7-D11 PolarHBondContact O-N 3.43Å; D11-F25 HydrophobicContact CB-CD1 3.99Å; D11-F25 HydrophobicContact CB-CE1 4.09Å
12G96Very high95.1Very high16 Ų1667.9 Ų67.917%0.16534%0.336CS..  trans-75132.7179.400000112V8 K21V8-G12 WeakPolarHBondContact O-CA 3.32Å; V8-G12 PolarHBondContact O-N 3.25Å; G12-K21 WeakPolarHBondContact CA-O 3.39Å
13V96.2Very high95.2Very high82 Ų8263.6 Ų63.650%0.49732%0.318SS..EExtended strand (participates in β ladder)trans-108.7121.7175179.50000109.1I15 K21V13-I15 HydrophobicContact CG1-CG1 4.33Å; V13-K21 HydrophobicContact CB-CB 4.3Å; V13-K21 PolarHBondContact N-O 3.4Å; V13-K21 WeakPolarHBondContact O-CB 3.42Å; V13-K21 PolarHBondContact O-N 3.28Å
14V96.6Very high95.2Very high16 Ų1661.3 Ų61.310%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-90131.3174.8-171.40000109.9I19 L20 L181 N184 V186V14-I19 CarbonylContact C-O 3.55Å; V14-I19 WeakPolarHBondContact CA-O 3.38Å; V14-L20 HydrophobicContact CG2-CD1 4.46Å; V14-L181 HydrophobicContact CG1-CB 3.81Å; V14-L181 HydrophobicContact CG1-CD1 4.35Å; V14-L181 HydrophobicContact CG1-CD2 4.16Å; V14-L181 HydrophobicContact CG1-CG 4.33Å; V14-L181 HydrophobicContact CG2-CD2 3.82Å; V14-N184 HydrophobicContact CB-CB 4.14Å; V14-N184 HydrophobicContact CG1-CB 4.32Å; V14-V186 HydrophobicContact CG2-CG2 3.74Å
15I93.9Very high95.2Very high66 Ų6661.3 Ų61.334%0.33832%0.315SS..EExtended strand (participates in β ladder)trans-121126179.6-53.2171.7000108.5V13 E17 K18 I19 K21V13-I15 HydrophobicContact CG1-CG1 4.33Å; I15-E17 PolarHBondContact O-N 2.9Å; I15-E17 VanDerWaalsContact O-N 3.1Å; I15-K18 PolarHBondContact O-N 2.68Å; I15-K18 VanDerWaalsContact O-N 3.08Å; I15-I19 HydrophobicContact CB-CB 4.24Å; I15-I19 PolarHBondContact N-O 3.14Å; I15-I19 PolarHBondContact O-N 2.92Å; I15-K21 HydrophobicContact CD1-CB 4.32Å; I15-K21 HydrophobicContact CD1-CD 4.23Å
16D93.4Very high95.2Very high122 Ų12261.1 Ų61.165%0.65231%0.313SS*.THydrogen-bonded Turntrans49.334.8177.8-58.6-29.6000113.7K18 N184D16-K18 VanDerWaalsContact O-CG 3.25Å; D16-K18 WeakPolarHBondContact O-CG 3.37Å; D16-K18 PolarHBondContact O-N 2.62Å; D16-N184 PolarHBondContact N-OD1 2.97Å
17E93.3Very high95.1Very high94 Ų9459.5 Ų59.544%0.43931%0.307SS..THydrogen-bonded Turntrans5613.6-178.7-52.8-176.8160.400114.9I15 L181 G183 N184I15-E17 PolarHBondContact O-N 2.9Å; I15-E17 VanDerWaalsContact O-N 3.1Å; E17-L181 WeakPolarHBondContact CA-O 3.41Å; E17-L181 WeakPolarHBondContact O-CB 3.35Å; E17-G183 WeakPolarHBondContact OE1-CA 3.4Å; E17-G183 PolarHBondContact OE1-N 3.34Å; E17-N184 PolarHBondContact N-OD1 3.08Å
18K88.7Confident95.1Very high153 Ų15364.8 Ų64.867%0.66533%0.332SS*.THydrogen-bonded Turntrans-126.3-35.6-169.9-74.3169.1-173176.20113.1I15 D16I15-K18 PolarHBondContact O-N 2.68Å; I15-K18 VanDerWaalsContact O-N 3.08Å; D16-K18 VanDerWaalsContact O-CG 3.25Å; D16-K18 WeakPolarHBondContact O-CG 3.37Å; D16-K18 PolarHBondContact O-N 2.62Å
19I91.7Very high95.2Very high88 Ų8871.1 Ų71.145%0.45136%0.361SS..EExtended strand (participates in β ladder)trans-111.9121.4-173.1-60.4173.2000108.2V14 I15V14-I19 CarbonylContact C-O 3.55Å; V14-I19 WeakPolarHBondContact CA-O 3.38Å; I15-I19 HydrophobicContact CB-CB 4.24Å; I15-I19 PolarHBondContact N-O 3.14Å; I15-I19 PolarHBondContact O-N 2.92Å
20L95.8Very high95.3Very high14 Ų1471 Ų717%0.07336%0.364CS..EExtended strand (participates in β ladder)trans-94.7112.2167172.658.2000108.3V8 V14 V22 F126 V154 V178 L181 V186V8-L20 HydrophobicContact CG1-CD1 4.34Å; V8-L20 HydrophobicContact CG1-CD2 3.7Å; V14-L20 HydrophobicContact CG2-CD1 4.46Å; L20-V22 HydrophobicContact CD1-CG1 4.07Å; L20-V22 HydrophobicContact CD2-CG1 4.39Å; L20-V22 HydrophobicContact CG-CG1 3.95Å; L20-F126 HydrophobicContact CD2-CE1 4.19Å; L20-F126 HydrophobicContact CD2-CZ 4.27Å; L20-F126 HydrophobicContact CG-CZ 4.37Å; L20-V154 HydrophobicContact CD2-CG1 4.13Å; L20-V178 HydrophobicContact CD2-CG2 4.04Å; L20-L181 HydrophobicContact CB-CD1 4.03Å; L20-L181 HydrophobicContact CB-CD2 4.21Å; L20-V186 HydrophobicContact CD1-CG2 3.73Å
21K95.7Very high95.4Very high92 Ų9266.6 Ų66.640%0.435%0.345SS..EExtended strand (participates in β ladder)trans-95.3120.2176.8-174.4-176.6-177.7-174.90109.4G12 V13 I15 D23G12-K21 WeakPolarHBondContact CA-O 3.39Å; V13-K21 HydrophobicContact CB-CB 4.3Å; V13-K21 PolarHBondContact N-O 3.4Å; V13-K21 WeakPolarHBondContact O-CB 3.42Å; V13-K21 PolarHBondContact O-N 3.28Å; I15-K21 HydrophobicContact CD1-CB 4.32Å; I15-K21 HydrophobicContact CD1-CD 4.23Å; K21-D23 WeakPolarHBondContact CE-OD2 3.25Å; K21-D23 HydrophobicContact CG-CB 4.3Å; K21-D23 IonicContact NZ-OD2 3.56Å
22V96.3Very high95.5Very high2 Ų266.2 Ų66.21%0.01235%0.351CS..  trans-125.435.2-179.1-69.50000111.3L20 G24 F25 L26 N27 F126L20-V22 HydrophobicContact CD1-CG1 4.07Å; L20-V22 HydrophobicContact CD2-CG1 4.39Å; L20-V22 HydrophobicContact CG-CG1 3.95Å; V22-G24 PolarHBondContact O-N 3.04Å; V22-G24 VanDerWaalsContact O-N 3.1Å; V22-F25 HydrophobicContact CB-CD1 4.33Å; V22-F25 HydrophobicContact CB-CE1 3.61Å; V22-F25 HydrophobicContact CB-CE2 4.13Å; V22-F25 HydrophobicContact CB-CZ 3.5Å; V22-F25 VanDerWaalsContact CB-CZ 3.5Å; V22-F25 HydrophobicContact CG1-CE1 3.67Å; V22-F25 HydrophobicContact CG1-CE2 4.41Å; V22-F25 HydrophobicContact CG1-CZ 3.45Å; V22-F25 VanDerWaalsContact CG1-CZ 3.45Å; V22-F25 HydrophobicContact CG2-CZ 4.43Å; V22-F25 PolarHBondContact O-N 2.98Å; V22-L26 HydrophobicContact CG2-CB 4.03Å; V22-L26 HydrophobicContact CG2-CD2 4.14Å; V22-L26 PolarHBondContact O-N 2.85Å; V22-N27 WeakPolarHBondContact CG2-OD1 3.44Å; V22-N27 PolarHBondContact O-N 3.38Å; V22-F126 HydrophobicContact CG2-CE2 3.52Å; V22-F126 HydrophobicContact CG2-CZ 3.7Å
23D95Very high95.6Very high60 Ų6073.8 Ų73.832%0.32138%0.379SS..Iπ-helixtrans-59.8-22-177.7-76.59.8000113.3K21 F25 H28 Q29K21-D23 WeakPolarHBondContact CE-OD2 3.25Å; K21-D23 HydrophobicContact CG-CB 4.3Å; K21-D23 IonicContact NZ-OD2 3.56Å; D23-F25 VanDerWaalsContact C-N 3.3Å; D23-F25 PolarHBondContact O-N 3.38Å; D23-H28 HydrophobicContact CB-CB 3.93Å; D23-Q29 WeakPolarHBondContact O-CA 3.08Å; D23-Q29 WeakPolarHBondContact O-CB 3.2Å; D23-Q29 PolarHBondContact O-N 2.63Å
24G95.6Very high95.7Very high38 Ų3870.1 Ų70.139%0.39236%0.357SS..Iπ-helixtrans-71.5-19-179.400000114.8V22 Q29V22-G24 PolarHBondContact O-N 3.04Å; V22-G24 VanDerWaalsContact O-N 3.1Å; G24-Q29 CarbonylContact C-O 3.54Å; G24-Q29 WeakPolarHBondContact O-CG 3.42Å
25F96.8Very high95.8Very high1 Ų169.3 Ų69.30%0.00435%0.352CS..Iπ-helixtrans-144.8-11.4-174.967.1-95.9000116.4L4 K7 V8 D11 V22 D23 Q29 I30 D31 L34L4-F25 HydrophobicContact CD1-CE2 4.05Å; K7-F25 HydrophobicContact CD-CD1 4.44Å; K7-F25 HydrophobicContact CG-CB 4.43Å; K7-F25 HydrophobicContact CG-CD1 3.72Å; K7-F25 HydrophobicContact CG-CD2 4.13Å; K7-F25 HydrophobicContact CG-CE1 3.88Å; K7-F25 HydrophobicContact CG-CE2 4.28Å; K7-F25 HydrophobicContact CG-CG 3.84Å; K7-F25 HydrophobicContact CG-CZ 4.15Å; V8-F25 HydrophobicContact CB-CZ 4.5Å; V8-F25 HydrophobicContact CG2-CE2 4.35Å; V8-F25 HydrophobicContact CG2-CZ 3.72Å; D11-F25 HydrophobicContact CB-CD1 3.99Å; D11-F25 HydrophobicContact CB-CE1 4.09Å; V22-F25 HydrophobicContact CB-CD1 4.33Å; V22-F25 HydrophobicContact CB-CE1 3.61Å; V22-F25 HydrophobicContact CB-CE2 4.13Å; V22-F25 HydrophobicContact CB-CZ 3.5Å; V22-F25 VanDerWaalsContact CB-CZ 3.5Å; V22-F25 HydrophobicContact CG1-CE1 3.67Å; V22-F25 HydrophobicContact CG1-CE2 4.41Å; V22-F25 HydrophobicContact CG1-CZ 3.45Å; V22-F25 VanDerWaalsContact CG1-CZ 3.45Å; V22-F25 HydrophobicContact CG2-CZ 4.43Å; V22-F25 PolarHBondContact O-N 2.98Å; D23-F25 VanDerWaalsContact C-N 3.3Å; D23-F25 PolarHBondContact O-N 3.38Å; F25-Q29 CarbonylContact C-O 3.45Å; F25-Q29 WeakPolarHBondContact CA-O 3.48Å; F25-Q29 PolarHBondContact N-O 3Å; F25-I30 WeakPolarHBondContact O-CA 3.44Å; F25-D31 HydrophobicContact CB-CB 3.96Å; F25-D31 PolarHBondContact O-N 3.26Å; F25-L34 HydrophobicContact CB-CD2 4.44Å; F25-L34 HydrophobicContact CD2-CD2 3.55Å; F25-L34 HydrophobicContact CE2-CD2 4.11Å; F25-L34 HydrophobicContact CG-CD2 4.24Å
26L96.8Very high96Very high1 Ų168.7 Ų68.71%0.00535%0.35CS..Iπ-helixtrans-130.4-54.3-178-175.659.8000113.6V22 Q29 M35 D125 F126 V153 V154V22-L26 HydrophobicContact CG2-CB 4.03Å; V22-L26 HydrophobicContact CG2-CD2 4.14Å; V22-L26 PolarHBondContact O-N 2.85Å; L26-Q29 PolarHBondContact N-O 2.89Å; L26-M35 HydrophobicContact CD1-CE 3.85Å; L26-M35 HydrophobicContact CD1-SD 3.69Å; L26-D125 HydrophobicContact CD1-CB 4.33Å; L26-D125 HydrophobicContact CD2-CB 4.07Å; L26-D125 HydrophobicContact CG-CB 4.25Å; L26-F126 HydrophobicContact CD2-CD2 4.49Å; L26-F126 HydrophobicContact CD2-CE2 4.11Å; L26-V153 HydrophobicContact CD2-CB 4.42Å; L26-V153 HydrophobicContact CD2-CG1 4.08Å; L26-V154 HydrophobicContact CD2-CG2 4.37Å
27N95Very high96.2Very high51 Ų5165.5 Ų65.527%0.27333%0.331SS..Iπ-helixtrans-93.1-13.8-163.9-72.258.1000115.1V22 D125V22-N27 WeakPolarHBondContact CG2-OD1 3.44Å; V22-N27 PolarHBondContact O-N 3.38Å; N27-D125 PolarHBondContact ND2-OD2 3.36Å
28H96.7Very high96.5Very high162 Ų16261 Ų6175%0.7531%0.31SS*.SBendtrans-140.6-62.5178-166.165.6000112.1D23D23-H28 HydrophobicContact CB-CB 3.93Å
29Q97.8Very high97Very high134 Ų13453.7 Ų53.763%0.62628%0.278SS*.SBendtrans-85.9139.4161.6-178.9171.3-6.900108.3D23 G24 F25 L26D23-Q29 WeakPolarHBondContact O-CA 3.08Å; D23-Q29 WeakPolarHBondContact O-CB 3.2Å; D23-Q29 PolarHBondContact O-N 2.63Å; G24-Q29 CarbonylContact C-O 3.54Å; G24-Q29 WeakPolarHBondContact O-CG 3.42Å; F25-Q29 CarbonylContact C-O 3.45Å; F25-Q29 WeakPolarHBondContact CA-O 3.48Å; F25-Q29 PolarHBondContact N-O 3Å; L26-Q29 PolarHBondContact N-O 2.89Å
30I98Very high97.3Very high88 Ų8855.3 Ų55.345%0.45128%0.278SS..  trans-119.5122-173.6-55.4178.7000108.5F25 A32 M35 A63F25-I30 WeakPolarHBondContact O-CA 3.44Å; I30-A32 PolarHBondContact O-N 3.26Å; I30-M35 HydrophobicContact CG2-CG 3.69Å; I30-A63 HydrophobicContact CD1-CB 3.86Å; I30-A63 HydrophobicContact CG2-CB 3.77Å
31D98.1Very high97.5Very high53 Ų5356.4 Ų56.428%0.28329%0.286SS..  trans-82.497.8170.1-175.4-24.3000109.1F25 K33 L34 M35F25-D31 HydrophobicContact CB-CB 3.96Å; F25-D31 PolarHBondContact O-N 3.26Å; D31-K33 PolarHBondContact O-N 3.15Å; D31-K33 WeakPolarHBondContact OD1-CB 3.35Å; D31-K33 PolarHBondContact OD1-N 3.39Å; D31-L34 HydrophobicContact CB-CB 3.85Å; D31-L34 PolarHBondContact O-N 2.57Å; D31-L34 PolarHBondContact OD1-N 3.39Å; D31-M35 WeakPolarHBondContact O-CG 3.49Å; D31-M35 PolarHBondContact O-N 2.83Å
32A97.9Very high97.6Very high57 Ų5752 Ų5247%0.47127%0.267SS..Hα-helixtrans-60.2-31.8-177.700000113.4I30 M35 N36 M67I30-A32 PolarHBondContact O-N 3.26Å; A32-M35 PolarHBondContact O-N 3.1Å; A32-N36 WeakPolarHBondContact O-CB 3.32Å; A32-N36 PolarHBondContact O-N 2.82Å; A32-M67 HydrophobicContact CB-CE 4.49Å
33K98Very high97.7Very high175 Ų17555.5 Ų55.576%0.76128%0.28SS*.Hα-helixtrans-70.6-44.5178.3-68.5-179.4179.8177.80110.2D31 M35 N36 E37D31-K33 PolarHBondContact O-N 3.15Å; D31-K33 WeakPolarHBondContact OD1-CB 3.35Å; D31-K33 PolarHBondContact OD1-N 3.39Å; K33-M35 VanDerWaalsContact C-N 3.33Å; K33-M35 PolarHBondContact O-N 2.94Å; K33-N36 WeakPolarHBondContact O-CB 3.48Å; K33-N36 PolarHBondContact O-N 3.11Å; K33-E37 PolarHBondContact O-N 2.94Å; K33-E37 VanDerWaalsContact O-N 3.1Å
34L98.2Very high97.9Very high5 Ų557.6 Ų57.63%0.02629%0.288CS..Hα-helixtrans-60.7-43.4174.1-178.564.5000111.5M1 L3 L4 K7 F25 D31 N36 E37 V38M1-L34 HydrophobicContact CE-CD1 3.52Å; L3-L34 HydrophobicContact CD2-CD1 3.87Å; L3-L34 HydrophobicContact CG-CD1 3.93Å; L4-L34 HydrophobicContact CD1-CD1 4.4Å; L4-L34 HydrophobicContact CD1-CD2 4.04Å; L4-L34 HydrophobicContact CD1-CG 4.5Å; K7-L34 HydrophobicContact CB-CD2 4.39Å; K7-L34 HydrophobicContact CG-CD2 3.98Å; F25-L34 HydrophobicContact CB-CD2 4.44Å; F25-L34 HydrophobicContact CD2-CD2 3.55Å; F25-L34 HydrophobicContact CE2-CD2 4.11Å; F25-L34 HydrophobicContact CG-CD2 4.24Å; D31-L34 HydrophobicContact CB-CB 3.85Å; D31-L34 PolarHBondContact O-N 2.57Å; D31-L34 PolarHBondContact OD1-N 3.39Å; L34-N36 VanDerWaalsContact C-N 3.3Å; L34-N36 PolarHBondContact O-N 2.77Å; L34-E37 PolarHBondContact O-N 3.22Å; L34-E37 VanDerWaalsContact O-N 3.16Å; L34-V38 WeakPolarHBondContact O-CG2 3.46Å; L34-V38 PolarHBondContact O-N 2.9Å
35M98.5Very high98Very high0 Ų060 Ų600%029%0.289CS..Hα-helixtrans-64-35.4177.8-66-58.698.800112.3L26 I30 D31 A32 K33 V38 G39 A63 P64 M67L26-M35 HydrophobicContact CD1-CE 3.85Å; L26-M35 HydrophobicContact CD1-SD 3.69Å; I30-M35 HydrophobicContact CG2-CG 3.69Å; D31-M35 WeakPolarHBondContact O-CG 3.49Å; D31-M35 PolarHBondContact O-N 2.83Å; A32-M35 PolarHBondContact O-N 3.1Å; K33-M35 VanDerWaalsContact C-N 3.33Å; K33-M35 PolarHBondContact O-N 2.94Å; M35-V38 HydrophobicContact CE-CG2 4.18Å; M35-V38 PolarHBondContact O-N 3.23Å; M35-G39 PolarHBondContact O-N 2.76Å; M35-A63 HydrophobicContact CG-CB 4.17Å; M35-A63 HydrophobicContact SD-CB 4.38Å; M35-P64 HydrophobicContact SD-CB 3.98Å; M35-P64 HydrophobicContact SD-CG 4.32Å; M35-M67 HydrophobicContact CB-CG 3.79Å; M35-M67 VanDerWaalsContact O-CB 3.24Å; M35-M67 WeakPolarHBondContact O-CB 3.49Å
36N98.6Very high98.1Very high53 Ų5360.3 Ų60.328%0.28329%0.29SS..Hα-helixtrans-62.5-42.8172.5-179.760.2000112A32 K33 L34 G39 R40 M67 H71A32-N36 WeakPolarHBondContact O-CB 3.32Å; A32-N36 PolarHBondContact O-N 2.82Å; K33-N36 WeakPolarHBondContact O-CB 3.48Å; K33-N36 PolarHBondContact O-N 3.11Å; L34-N36 VanDerWaalsContact C-N 3.3Å; L34-N36 PolarHBondContact O-N 2.77Å; N36-G39 PolarHBondContact O-N 3.31Å; N36-R40 WeakPolarHBondContact O-CB 3.44Å; N36-R40 PolarHBondContact O-N 3.07Å; N36-M67 HydrophobicContact CB-SD 4.36Å; N36-H71 PolarHBondContact O-NE2 3.43Å; N36-H71 PolarHBondContact OD1-NE2 3.25Å
37E98.6Very high98.2Very high54 Ų5464.1 Ų64.125%0.25231%0.307SS..Hα-helixtrans-65.9-38.4175.8-68.3-55.9139.200112.8M1 L3 K33 L34 R40 T41M1-E37 HydrophobicContact CE-CB 4.02Å; L3-E37 HydrophobicContact CD2-CB 4.39Å; L3-E37 HydrophobicContact CD2-CG 4.2Å; K33-E37 PolarHBondContact O-N 2.94Å; K33-E37 VanDerWaalsContact O-N 3.1Å; L34-E37 PolarHBondContact O-N 3.22Å; L34-E37 VanDerWaalsContact O-N 3.16Å; E37-R40 PolarHBondContact O-N 3.21Å; E37-R40 IonicContact OE1-NE 3.21Å; E37-R40 IonicContact OE1-NH2 2.62Å; E37-R40 IonicContact OE2-CZ 2.63Å; E37-R40 IonicContact OE2-NE 3.76Å; E37-R40 PolarHBondContact OE2-NE 3.32Å; E37-R40 IonicContact OE2-NH2 2.68Å; E37-R40 PolarHBondContact OE2-NH2 2.9Å; E37-T41 WeakPolarHBondContact O-CB 3.37Å; E37-T41 PolarHBondContact O-N 3.29Å; E37-T41 PolarHBondContact O-OG1 3.49Å
38V98.7Very high98.3Very high0 Ų068.8 Ų68.80%033%0.332CS..Hα-helixtrans-59.8-51.1171.9162.70000110.6M1 L34 M35 R40 T41 F42 P64 V153 L175M1-V38 HydrophobicContact CE-CG2 4.29Å; M1-V38 HydrophobicContact SD-CG2 4.26Å; L34-V38 WeakPolarHBondContact O-CG2 3.46Å; L34-V38 PolarHBondContact O-N 2.9Å; M35-V38 HydrophobicContact CE-CG2 4.18Å; M35-V38 PolarHBondContact O-N 3.23Å; V38-R40 PolarHBondContact O-N 2.95Å; V38-T41 PolarHBondContact O-N 3.39Å; V38-T41 VanDerWaalsContact O-N 3.17Å; V38-F42 HydrophobicContact CG1-CD2 3.93Å; V38-F42 HydrophobicContact CG1-CE2 3.52Å; V38-F42 HydrophobicContact CG1-CZ 4.45Å; V38-F42 WeakPolarHBondContact O-CD2 3.44Å; V38-F42 PolarHBondContact O-N 3.42Å; V38-P64 HydrophobicContact CG1-CB 3.79Å; V38-V153 HydrophobicContact CG1-CG2 3.82Å; V38-V153 HydrophobicContact CG2-CG1 4.29Å; V38-L175 HydrophobicContact CB-CD1 4.11Å; V38-L175 HydrophobicContact CG1-CD1 3.78Å; V38-L175 HydrophobicContact CG2-CD1 4.04Å
39G98.8Very high98.4Very high0 Ų066.4 Ų66.40%032%0.319CS..Hα-helixtrans-59.3-44.617800000112.6M35 N36 T41 F42 Y43M35-G39 PolarHBondContact O-N 2.76Å; N36-G39 PolarHBondContact O-N 3.31Å; G39-T41 VanDerWaalsContact C-N 3.32Å; G39-T41 PolarHBondContact O-N 2.94Å; G39-F42 PolarHBondContact O-N 3.17Å; G39-Y43 PolarHBondContact O-N 3.44Å
40R98.7Very high98.4Very high122 Ų12262.3 Ų62.346%0.4631%0.313SS..Hα-helixtrans-59.4-42.3175-175.1171.572.4132.9-1111.8N36 E37 V38 Y43 E44 H71N36-R40 WeakPolarHBondContact O-CB 3.44Å; N36-R40 PolarHBondContact O-N 3.07Å; E37-R40 PolarHBondContact O-N 3.21Å; E37-R40 IonicContact OE1-NE 3.21Å; E37-R40 IonicContact OE1-NH2 2.62Å; E37-R40 IonicContact OE2-CZ 2.63Å; E37-R40 IonicContact OE2-NE 3.76Å; E37-R40 PolarHBondContact OE2-NE 3.32Å; E37-R40 IonicContact OE2-NH2 2.68Å; E37-R40 PolarHBondContact OE2-NH2 2.9Å; V38-R40 PolarHBondContact O-N 2.95Å; R40-Y43 WeakPolarHBondContact O-CB 3.35Å; R40-Y43 PolarHBondContact O-N 2.9Å; R40-E44 WeakPolarHBondContact O-CG 3.48Å; R40-E44 PolarHBondContact O-N 3.38Å; R40-H71 PolarHBondContact N-CD2 3.07Å; R40-H71 VanDerWaalsContact N-CD2 3.31Å
41T98.7Very high98.4Very high37 Ų3758.9 Ų58.923%0.22730%0.295CS..Hα-helixtrans-64.5-42.5179.6-56.40000111.5E37 V38 G39 E44 Q45 L175E37-T41 WeakPolarHBondContact O-CB 3.37Å; E37-T41 PolarHBondContact O-N 3.29Å; E37-T41 PolarHBondContact O-OG1 3.49Å; V38-T41 PolarHBondContact O-N 3.39Å; V38-T41 VanDerWaalsContact O-N 3.17Å; G39-T41 VanDerWaalsContact C-N 3.32Å; G39-T41 PolarHBondContact O-N 2.94Å; T41-E44 PolarHBondContact O-N 2.88Å; T41-Q45 WeakPolarHBondContact O-CG 3.34Å; T41-Q45 PolarHBondContact O-N 3.29Å; T41-L175 HydrophobicContact CG2-CD1 4.35Å; T41-L175 HydrophobicContact CG2-CD2 3.6Å
42F98.7Very high98.5Very high0 Ų058.8 Ų58.80%030%0.297CS..Hα-helixtrans-65.1-39173.8-69.4-49.4000112.4V38 G39 E44 Q45 F46 I123 G151 V153 L175V38-F42 HydrophobicContact CG1-CD2 3.93Å; V38-F42 HydrophobicContact CG1-CE2 3.52Å; V38-F42 HydrophobicContact CG1-CZ 4.45Å; V38-F42 WeakPolarHBondContact O-CD2 3.44Å; V38-F42 PolarHBondContact O-N 3.42Å; G39-F42 PolarHBondContact O-N 3.17Å; F42-E44 PolarHBondContact O-N 2.86Å; F42-Q45 PolarHBondContact O-N 2.98Å; F42-F46 WeakPolarHBondContact O-CD2 3.28Å; F42-F46 PolarHBondContact O-N 3.46Å; F42-I123 HydrophobicContact CB-CD1 4.35Å; F42-I123 HydrophobicContact CD1-CD1 4.24Å; F42-I123 HydrophobicContact CD2-CD1 3.66Å; F42-I123 HydrophobicContact CE1-CD1 4.47Å; F42-I123 HydrophobicContact CE2-CD1 3.89Å; F42-I123 HydrophobicContact CE2-CG2 4.2Å; F42-I123 HydrophobicContact CG-CD1 3.84Å; F42-I123 HydrophobicContact CZ-CD1 4.3Å; F42-G151 VanDerWaalsContact CZ-C 3.47Å; F42-V153 HydrophobicContact CE2-CG2 4.42Å; F42-L175 HydrophobicContact CD1-CD1 4.47Å; F42-L175 HydrophobicContact CD1-CD2 4.14Å; F42-L175 HydrophobicContact CD1-CG 4.41Å; F42-L175 HydrophobicContact CD2-CD1 4.37Å; F42-L175 HydrophobicContact CE1-CD1 3.95Å; F42-L175 HydrophobicContact CE1-CD2 3.69Å; F42-L175 HydrophobicContact CE1-CG 3.62Å; F42-L175 HydrophobicContact CE2-CD1 3.87Å; F42-L175 HydrophobicContact CE2-CG 4.35Å; F42-L175 HydrophobicContact CZ-CD1 3.63Å; F42-L175 HydrophobicContact CZ-CD2 4.19Å; F42-L175 HydrophobicContact CZ-CG 3.59Å
43Y98.8Very high98.5Very high75 Ų7557.3 Ų57.329%0.29428%0.28SS..Hα-helixtrans-55-53173.1172.4-97.9000111.7G39 R40 Q45 F46 K47 H71 F72G39-Y43 PolarHBondContact O-N 3.44Å; R40-Y43 WeakPolarHBondContact O-CB 3.35Å; R40-Y43 PolarHBondContact O-N 2.9Å; Y43-Q45 PolarHBondContact O-N 3.43Å; Y43-Q45 VanDerWaalsContact O-N 3.14Å; Y43-F46 PolarHBondContact O-N 3Å; Y43-F46 VanDerWaalsContact O-N 3.17Å; Y43-K47 HydrophobicContact CD1-CD 4.45Å; Y43-K47 HydrophobicContact CD2-CB 4.14Å; Y43-K47 HydrophobicContact CE1-CB 4.25Å; Y43-K47 HydrophobicContact CE1-CD 3.89Å; Y43-K47 HydrophobicContact CE2-CB 3.79Å; Y43-K47 WeakPolarHBondContact O-CA 3.4Å; Y43-K47 VanDerWaalsContact O-CB 3.22Å; Y43-K47 WeakPolarHBondContact O-CB 3.46Å; Y43-K47 PolarHBondContact O-N 3.31Å; Y43-H71 HydrophobicContact CD2-CB 4.12Å; Y43-H71 WeakPolarHBondContact CD2-O 3.43Å; Y43-H71 WeakPolarHBondContact CE2-O 3.38Å; Y43-H71 HydrophobicContact CG-CB 3.9Å; Y43-F72 VanDerWaalsContact CA-CZ 3.5Å; Y43-F72 AromaticContact CD2-CD1 3.84Å; Y43-F72 HydrophobicContact CD2-CD1 3.84Å; Y43-F72 HydrophobicContact CD2-CD2 4.24Å; Y43-F72 AromaticContact CD2-CE1 3.95Å; Y43-F72 HydrophobicContact CD2-CE1 3.95Å; Y43-F72 HydrophobicContact CD2-CE2 4.32Å; Y43-F72 AromaticContact CD2-CG 3.97Å; Y43-F72 HydrophobicContact CD2-CG 3.97Å; Y43-F72 HydrophobicContact CD2-CZ 4.16Å; Y43-F72 HydrophobicContact CE2-CD1 4.3Å
44E98.6Very high98.6Very high103 Ų10349 Ų4948%0.48124%0.243SC..Hα-helixtrans-58.7-31.9-179.3-68.1-58.3153.700113.5R40 T41 F42 K47R40-E44 WeakPolarHBondContact O-CG 3.48Å; R40-E44 PolarHBondContact O-N 3.38Å; T41-E44 PolarHBondContact O-N 2.88Å; F42-E44 PolarHBondContact O-N 2.86Å; E44-K47 IonicContact OE2-NZ 3.96Å; E44-K47 PolarHBondContact OE2-NZ 3.41Å
45Q98.3Very high98.6Very high89 Ų8948.8 Ų48.842%0.41624%0.242SC..Hα-helixtrans-80.1-29.6-179.5-69.2172.2-7.400114T41 F42 Y43 S173T41-Q45 WeakPolarHBondContact O-CG 3.34Å; T41-Q45 PolarHBondContact O-N 3.29Å; F42-Q45 PolarHBondContact O-N 2.98Å; Y43-Q45 PolarHBondContact O-N 3.43Å; Y43-Q45 VanDerWaalsContact O-N 3.14Å; Q45-S173 VanDerWaalsContact CD-OG 3.27Å; Q45-S173 PolarHBondContact NE2-OG 2.82Å; Q45-S173 PolarHBondContact OE1-OG 3.17Å
46F98.6Very high98.6Very high7 Ų748.8 Ų48.83%0.03124%0.242CC..Hα-helixtrans-121.7-0.1-170.8-66.1-90.5000114.5F42 Y43 D48 K49 I51 F72 L121 T171F42-F46 WeakPolarHBondContact O-CD2 3.28Å; F42-F46 PolarHBondContact O-N 3.46Å; Y43-F46 PolarHBondContact O-N 3Å; Y43-F46 VanDerWaalsContact O-N 3.17Å; F46-D48 PolarHBondContact O-N 2.81Å; F46-D48 VanDerWaalsContact O-N 3.09Å; F46-K49 HydrophobicContact CB-CG 4.35Å; F46-K49 HydrophobicContact CD1-CG 4.15Å; F46-K49 VanDerWaalsContact O-CB 3.27Å; F46-K49 WeakPolarHBondContact O-CB 3.31Å; F46-K49 WeakPolarHBondContact O-CG 3.24Å; F46-K49 PolarHBondContact O-N 3.27Å; F46-I51 HydrophobicContact CB-CG1 4.4Å; F46-F72 HydrophobicContact CB-CE1 4.41Å; F46-F72 HydrophobicContact CB-CZ 3.8Å; F46-L121 HydrophobicContact CB-CD2 4.08Å; F46-L121 HydrophobicContact CD1-CD1 4.01Å; F46-L121 HydrophobicContact CD2-CD1 4.04Å; F46-L121 HydrophobicContact CD2-CD2 4.03Å; F46-L121 HydrophobicContact CE1-CD1 4.01Å; F46-L121 HydrophobicContact CE2-CD1 4.04Å; F46-L121 HydrophobicContact CG-CD1 4.04Å; F46-L121 HydrophobicContact CG-CD2 4.08Å; F46-L121 HydrophobicContact CZ-CD1 4.02Å; F46-T171 HydrophobicContact CE1-CG2 4.44Å
47K98.1Very high98.5Very high82 Ų8246.6 Ų46.636%0.35723%0.23SC..G310 helixtrans-52.1-33.4-178.360.9-174.8-177.8-171.70114.9Y43 E44 K49Y43-K47 HydrophobicContact CD1-CD 4.45Å; Y43-K47 HydrophobicContact CD2-CB 4.14Å; Y43-K47 HydrophobicContact CE1-CB 4.25Å; Y43-K47 HydrophobicContact CE1-CD 3.89Å; Y43-K47 HydrophobicContact CE2-CB 3.79Å; Y43-K47 WeakPolarHBondContact O-CA 3.4Å; Y43-K47 VanDerWaalsContact O-CB 3.22Å; Y43-K47 WeakPolarHBondContact O-CB 3.46Å; Y43-K47 PolarHBondContact O-N 3.31Å; E44-K47 IonicContact OE2-NZ 3.96Å; E44-K47 PolarHBondContact OE2-NZ 3.41Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 3.22Å
48D98.1Very high98.4Very high148 Ų14846.4 Ų46.479%0.79123%0.23SC*.G310 helixtrans-87.87.9-179-56.3-47.4000113.6F46F46-D48 PolarHBondContact O-N 2.81Å; F46-D48 VanDerWaalsContact O-N 3.09Å
49K98.2Very high98.2Very high113 Ų11349.8 Ų49.849%0.49126%0.257SS..G310 helixtrans-93.7-1.1-178.3-58.7-64.1-174.5177.30114.1F46 K47 I51 A148F46-K49 HydrophobicContact CB-CG 4.35Å; F46-K49 HydrophobicContact CD1-CG 4.15Å; F46-K49 VanDerWaalsContact O-CB 3.27Å; F46-K49 WeakPolarHBondContact O-CB 3.31Å; F46-K49 WeakPolarHBondContact O-CG 3.24Å; F46-K49 PolarHBondContact O-N 3.27Å; K47-K49 VanDerWaalsContact C-N 3.29Å; K47-K49 PolarHBondContact O-N 3.22Å; K49-I51 HydrophobicContact CB-CD1 3.86Å; K49-I51 HydrophobicContact CB-CG1 4.43Å; K49-A148 HydrophobicContact CB-CB 4.05Å
50G98.2Very high98.1Very high48 Ų4851.2 Ų51.250%0.49527%0.268SS..  trans67.442.1-179.300000112.7T52 T119G50-T52 PolarHBondContact O-N 3.21Å; G50-T119 WeakPolarHBondContact O-CB 3.46Å
51I98.8Very high98.1Very high16 Ų1645.5 Ų45.58%0.08225%0.246CC..  trans-61.8129.3179.9-53.8-52.1000109.9F46 K49 I54 F72 V74 T119 L121 A148F46-I51 HydrophobicContact CB-CG1 4.4Å; K49-I51 HydrophobicContact CB-CD1 3.86Å; K49-I51 HydrophobicContact CB-CG1 4.43Å; I51-I54 HydrophobicContact CG2-CD1 3.94Å; I51-F72 HydrophobicContact CB-CD1 3.75Å; I51-F72 HydrophobicContact CB-CE1 3.82Å; I51-F72 HydrophobicContact CB-CG 4.42Å; I51-F72 HydrophobicContact CG1-CD1 3.97Å; I51-F72 HydrophobicContact CG1-CE1 3.46Å; I51-F72 VanDerWaalsContact CG1-CE1 3.46Å; I51-F72 HydrophobicContact CG1-CZ 3.96Å; I51-F72 HydrophobicContact CG2-CD1 4.22Å; I51-F72 HydrophobicContact CG2-CE1 4.45Å; I51-F72 HydrophobicContact CG2-CG 4.41Å; I51-V74 HydrophobicContact CG2-CG2 4.46Å; I51-T119 WeakPolarHBondContact CA-O 3.48Å; I51-T119 HydrophobicContact CD1-CG2 4.3Å; I51-L121 HydrophobicContact CD1-CB 3.92Å; I51-L121 HydrophobicContact CG1-CB 4.34Å; I51-L121 HydrophobicContact CG2-CB 4.08Å; I51-A148 HydrophobicContact CD1-CB 3.27Å
52T98.9Very high98.1Very high51 Ų5146.2 Ų46.231%0.31325%0.248SC..  trans-113.2-11.3176.964.30000112.6G50 D118 T119G50-T52 PolarHBondContact O-N 3.21Å; T52-D118 VanDerWaalsContact OG1-CA 3.32Å; T52-D118 WeakPolarHBondContact OG1-CA 3.45Å; T52-D118 PolarHBondContact OG1-OD1 3.39Å; T52-T119 PolarHBondContact N-O 3.36Å; T52-T119 PolarHBondContact OG1-N 3.04Å; T52-T119 PolarHBondContact OG1-O 3.06Å
53K98.8Very high98.1Very high26 Ų2647 Ų4711%0.11325%0.254CS..EExtended strand (participates in β ladder)trans-160.8140.4-176.9-155.7160.9-85.676.20111.5L77 F113 L114 D118 V120 L121K53-L77 HydrophobicContact CD-CB 4.18Å; K53-L77 HydrophobicContact CD-CD2 4.07Å; K53-L77 HydrophobicContact CG-CB 4.3Å; K53-F113 VanDerWaalsContact CD-O 3.28Å; K53-F113 WeakPolarHBondContact CD-O 3.48Å; K53-F113 WeakPolarHBondContact CE-O 3.41Å; K53-L114 HydrophobicContact CD-CD1 4.31Å; K53-D118 IonicContact NZ-OD1 3.63Å; K53-D118 PolarHBondContact NZ-OD1 3.33Å; K53-D118 IonicContact NZ-OD2 2.59Å; K53-D118 PolarHBondContact NZ-OD2 3.42Å; K53-V120 HydrophobicContact CB-CG1 4.26Å; K53-V120 WeakPolarHBondContact O-CA 3.47Å; K53-L121 PolarHBondContact O-N 3.34Å; K53-L121 VanDerWaalsContact O-N 3.07Å
54I98.9Very high98.1Very high0 Ų043.4 Ų43.40%024%0.24CC..EExtended strand (participates in β ladder)trans-94.2129.4164.4-57.7-54.1000108.6I51 A65 A68 A69 F72 V74 P75 L77 L121 I123I51-I54 HydrophobicContact CG2-CD1 3.94Å; I54-A65 HydrophobicContact CG2-CB 3.78Å; I54-A68 HydrophobicContact CD1-CB 4.44Å; I54-A68 HydrophobicContact CG1-CB 4.44Å; I54-A69 HydrophobicContact CB-CB 4.09Å; I54-A69 HydrophobicContact CG1-CB 3.66Å; I54-F72 HydrophobicContact CD1-CD2 3.95Å; I54-F72 HydrophobicContact CD1-CE2 4.32Å; I54-V74 HydrophobicContact CG1-CG2 4.05Å; I54-P75 PolarHBondContact N-O 3.1Å; I54-L77 PolarHBondContact O-N 3.16Å; I54-L121 WeakPolarHBondContact CA-O 3.48Å; I54-L121 HydrophobicContact CD1-CB 3.78Å; I54-L121 HydrophobicContact CD1-CD2 3.95Å; I54-L121 HydrophobicContact CD1-CG 4.15Å; I54-I123 HydrophobicContact CG2-CB 4.13Å; I54-I123 HydrophobicContact CG2-CG1 3.74Å
55L98.9Very high98.1Very high0 Ų038.5 Ų38.50%022%0.217CC..EExtended strand (participates in β ladder)trans-111.6131.8175.1-179.861000110L77 V109 V120 L121 I122 I123 L136L55-L77 CarbonylContact C-O 3.59Å; L55-L77 WeakPolarHBondContact CA-O 3.1Å; L55-L77 HydrophobicContact CD1-CB 4.34Å; L55-L77 HydrophobicContact CD1-CD2 4.23Å; L55-L77 HydrophobicContact CD1-CG 4.07Å; L55-V109 HydrophobicContact CD1-CG2 4.21Å; L55-V120 HydrophobicContact CB-CB 4.43Å; L55-L121 PolarHBondContact N-O 3.19Å; L55-I122 HydrophobicContact CB-CG1 4.25Å; L55-I122 HydrophobicContact CD2-CG1 4.29Å; L55-I122 CarbonylContact O-C 3.59Å; L55-I122 WeakPolarHBondContact O-CA 3.44Å; L55-I123 PolarHBondContact O-N 2.59Å; L55-L136 HydrophobicContact CD1-CD2 4.49Å; L55-L136 HydrophobicContact CD2-CB 4.21Å; L55-L136 HydrophobicContact CD2-CD2 4.49Å; L55-L136 HydrophobicContact CG-CD2 4.31Å
56T98.8Very high98.1Very high0 Ų038.3 Ų38.30%022%0.219CC..EExtended strand (participates in β ladder)trans-143.3-175.1177.3-167.60000111.1G61 I62 A65 L77 F78 A79 I123T56-G61 WeakPolarHBondContact OG1-CA 3.31Å; T56-G61 PolarHBondContact OG1-O 2.85Å; T56-I62 HydrophobicContact CG2-CG1 4.3Å; T56-A65 HydrophobicContact CG2-CB 3.58Å; T56-L77 PolarHBondContact N-O 3.48Å; T56-F78 HydrophobicContact CG2-CB 3.55Å; T56-F78 CarbonylContact O-C 3.43Å; T56-F78 WeakPolarHBondContact O-CA 3.46Å; T56-A79 PolarHBondContact O-N 3.26Å; T56-I123 WeakPolarHBondContact CA-O 3.39Å; T56-I123 WeakPolarHBondContact CB-O 3.46Å; T56-I123 PolarHBondContact OG1-O 2.92Å
57I97.3Very high98.1Very high7 Ų740.1 Ų40.14%0.03623%0.227CC..EExtended strand (participates in β ladder)trans-128.7143.6174.7-170.2171.7000110.8A79 K81 I96 V107 L136I57-A79 HydrophobicContact CG1-CB 4.37Å; I57-K81 HydrophobicContact CD1-CG 4.21Å; I57-K81 HydrophobicContact CG1-CG 4.42Å; I57-I96 HydrophobicContact CD1-CD1 3.9Å; I57-V107 HydrophobicContact CD1-CB 4.4Å; I57-V107 HydrophobicContact CD1-CG1 3.8Å; I57-V107 HydrophobicContact CD1-CG2 3.7Å; I57-V107 HydrophobicContact CG1-CG1 4.28Å; I57-L136 HydrophobicContact CB-CD1 4.13Å; I57-L136 HydrophobicContact CB-CD2 4.28Å; I57-L136 HydrophobicContact CG2-CD1 4.34Å
58E95.9Very high98.1Very high51 Ų5136.2 Ų36.224%0.23821%0.21CC..THydrogen-bonded Turntrans-66.9146.6178.570.7-175.2174.500113.1I62 F78 A79 K80 K81E58-I62 HydrophobicContact CB-CD1 4.03Å; E58-F78 HydrophobicContact CB-CD2 4.2Å; E58-A79 PolarHBondContact N-O 3.42Å; E58-A79 VanDerWaalsContact N-O 3.12Å; E58-K80 WeakPolarHBondContact OE1-CA 3.5Å; E58-K81 HydrophobicContact CG-CD 4.31Å; E58-K81 HydrophobicContact CG-CG 4.25Å; E58-K81 VanDerWaalsContact O-CE 3.27Å; E58-K81 WeakPolarHBondContact O-CE 3.46Å; E58-K81 PolarHBondContact O-NZ 3.08Å; E58-K81 PolarHBondContact OE1-N 3.25Å
59A95Very high98.2Very high70 Ų7029.3 Ų29.358%0.57917%0.174SC*.THydrogen-bonded Turncis-107.3-38.5-1.300000112.6G61 I62A59-G61 VanDerWaalsContact C-N 3.32Å; A59-G61 PolarHBondContact O-N 3.39Å; A59-I62 VanDerWaalsContact O-CB 3.27Å; A59-I62 WeakPolarHBondContact O-CB 3.36Å; A59-I62 WeakPolarHBondContact O-CG1 3.37Å; A59-I62 PolarHBondContact O-N 2.88Å
60S96.5Very high98.2Very high31 Ų3129.6 Ų29.622%0.21718%0.18CC..THydrogen-bonded Turntrans-65.2-30-169.1-56.60000114.1I62 P64 D125S60-I62 PolarHBondContact O-N 2.97Å; S60-P64 WeakPolarHBondContact O-CD 3.43Å; S60-D125 WeakPolarHBondContact CB-OD2 3.46Å
61G97.9Very high98.2Very high1 Ų130 Ų301%0.0117%0.169CC..THydrogen-bonded Turntrans-67.5-19.7174.100000114.4T56 A59 A63 P64 A65T56-G61 WeakPolarHBondContact OG1-CA 3.31Å; T56-G61 PolarHBondContact OG1-O 2.85Å; A59-G61 VanDerWaalsContact C-N 3.32Å; A59-G61 PolarHBondContact O-N 3.39Å; G61-A63 PolarHBondContact O-N 3.43Å; G61-P64 VanDerWaalsContact O-CD 3.27Å; G61-P64 WeakPolarHBondContact O-CD 3.41Å; G61-P64 WeakPolarHBondContact O-CG 3.31Å; G61-A65 WeakPolarHBondContact O-CB 3.2Å; G61-A65 PolarHBondContact O-N 3.43Å
62I98.7Very high98.2Very high53 Ų5330.5 Ų30.527%0.27217%0.171SC..Hα-helixtrans-62.4-41.9-175.3-64.4173.6000111.9T56 E58 A59 S60 A65 I66 F78T56-I62 HydrophobicContact CG2-CG1 4.3Å; E58-I62 HydrophobicContact CB-CD1 4.03Å; A59-I62 VanDerWaalsContact O-CB 3.27Å; A59-I62 WeakPolarHBondContact O-CB 3.36Å; A59-I62 WeakPolarHBondContact O-CG1 3.37Å; A59-I62 PolarHBondContact O-N 2.88Å; S60-I62 PolarHBondContact O-N 2.97Å; I62-A65 PolarHBondContact O-N 3.29Å; I62-I66 WeakPolarHBondContact O-CB 3.48Å; I62-I66 VanDerWaalsContact O-CG2 3.32Å; I62-I66 WeakPolarHBondContact O-CG2 3.33Å; I62-I66 PolarHBondContact O-N 3.1Å; I62-F78 HydrophobicContact CD1-CB 4.36Å; I62-F78 HydrophobicContact CD1-CD1 4.44Å; I62-F78 HydrophobicContact CD1-CD2 4.06Å; I62-F78 HydrophobicContact CD1-CE2 4.47Å; I62-F78 HydrophobicContact CD1-CG 4.04Å; I62-F78 HydrophobicContact CG1-CB 4.06Å; I62-F78 HydrophobicContact CG1-CG 4.23Å
63A98.4Very high98.2Very high15 Ų1535.2 Ų35.212%0.12419%0.194CC..Hα-helixtrans-66.1-49.5-176.200000114.3I30 M35 G61 A65 I66 M67I30-A63 HydrophobicContact CD1-CB 3.86Å; I30-A63 HydrophobicContact CG2-CB 3.77Å; M35-A63 HydrophobicContact CG-CB 4.17Å; M35-A63 HydrophobicContact SD-CB 4.38Å; G61-A63 PolarHBondContact O-N 3.43Å; A63-A65 VanDerWaalsContact C-N 3.31Å; A63-I66 WeakPolarHBondContact O-CG2 3.21Å; A63-M67 VanDerWaalsContact O-CG 3.31Å; A63-M67 WeakPolarHBondContact O-CG 3.22Å; A63-M67 PolarHBondContact O-N 2.82Å
64P98.7Very high98.2Very high0 Ų035.3 Ų35.30%020%0.197CC..Hα-helixtrans-66.2-35.1172.324.9-33000112M35 V38 S60 G61 M67 A68 I123 V153M35-P64 HydrophobicContact SD-CB 3.98Å; M35-P64 HydrophobicContact SD-CG 4.32Å; V38-P64 HydrophobicContact CG1-CB 3.79Å; S60-P64 WeakPolarHBondContact O-CD 3.43Å; G61-P64 VanDerWaalsContact O-CD 3.27Å; G61-P64 WeakPolarHBondContact O-CD 3.41Å; G61-P64 WeakPolarHBondContact O-CG 3.31Å; P64-M67 PolarHBondContact O-N 3.39Å; P64-A68 PolarHBondContact O-N 2.81Å; P64-I123 HydrophobicContact CB-CG2 4.07Å; P64-I123 HydrophobicContact CG-CG2 4.24Å; P64-V153 HydrophobicContact CB-CG2 3.59Å; P64-V153 HydrophobicContact CG-CG2 3.75Å
65A98.9Very high98.2Very high0 Ų039.1 Ų39.10%022%0.222CC..Hα-helixtrans-66-45.2-179.600000113.2I54 T56 G61 I62 A63 M67 A68 A69 I123I54-A65 HydrophobicContact CG2-CB 3.78Å; T56-A65 HydrophobicContact CG2-CB 3.58Å; G61-A65 WeakPolarHBondContact O-CB 3.2Å; G61-A65 PolarHBondContact O-N 3.43Å; I62-A65 PolarHBondContact O-N 3.29Å; A63-A65 VanDerWaalsContact C-N 3.31Å; A65-M67 VanDerWaalsContact C-N 3.3Å; A65-M67 PolarHBondContact O-N 3.08Å; A65-A68 PolarHBondContact O-N 3.31Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 3.18Å; A65-I123 HydrophobicContact CB-CB 4.02Å; A65-I123 HydrophobicContact CB-CG2 4.09Å
66I98.8Very high98.2Very high86 Ų8640.7 Ų40.744%0.44123%0.232SC..Hα-helixtrans-67.3-33.9179.2-166.863.2000111.5I62 A63 A69 L70 C76I62-I66 WeakPolarHBondContact O-CB 3.48Å; I62-I66 VanDerWaalsContact O-CG2 3.32Å; I62-I66 WeakPolarHBondContact O-CG2 3.33Å; I62-I66 PolarHBondContact O-N 3.1Å; A63-I66 WeakPolarHBondContact O-CG2 3.21Å; I66-A69 PolarHBondContact O-N 2.89Å; I66-L70 WeakPolarHBondContact O-CB 3.31Å; I66-L70 PolarHBondContact O-N 3.4Å; I66-C76 HydrophobicContact CD1-CB 3.6Å
67M98.7Very high98.2Very high44 Ų4441.7 Ų41.722%0.21724%0.237CC..Hα-helixtrans-68.3-42.1174.7-67.3-62.7177.500111.4A32 M35 N36 A63 P64 A65 L70 H71A32-M67 HydrophobicContact CB-CE 4.49Å; M35-M67 HydrophobicContact CB-CG 3.79Å; M35-M67 VanDerWaalsContact O-CB 3.24Å; M35-M67 WeakPolarHBondContact O-CB 3.49Å; N36-M67 HydrophobicContact CB-SD 4.36Å; A63-M67 VanDerWaalsContact O-CG 3.31Å; A63-M67 WeakPolarHBondContact O-CG 3.22Å; A63-M67 PolarHBondContact O-N 2.82Å; P64-M67 PolarHBondContact O-N 3.39Å; A65-M67 VanDerWaalsContact C-N 3.3Å; A65-M67 PolarHBondContact O-N 3.08Å; M67-L70 WeakPolarHBondContact O-CB 3.22Å; M67-L70 PolarHBondContact O-N 3.09Å; M67-H71 PolarHBondContact O-CD2 2.88Å; M67-H71 PolarHBondContact O-N 3.02Å
68A98.9Very high98.2Very high0 Ų045.3 Ų45.30%025%0.253CS..Hα-helixtrans-59.6-48.7171.700000110.8I54 P64 A65 L70 H71 F72 I123I54-A68 HydrophobicContact CD1-CB 4.44Å; I54-A68 HydrophobicContact CG1-CB 4.44Å; P64-A68 PolarHBondContact O-N 2.81Å; A65-A68 PolarHBondContact O-N 3.31Å; A68-L70 PolarHBondContact O-N 2.94Å; A68-H71 PolarHBondContact O-N 3.48Å; A68-F72 VanDerWaalsContact O-CD2 3.25Å; A68-F72 WeakPolarHBondContact O-CD2 3.33Å; A68-F72 PolarHBondContact O-N 3.24Å; A68-I123 HydrophobicContact CB-CG1 4.38Å
69A98.9Very high98.3Very high3 Ų342.9 Ų42.93%0.02524%0.242CC..Hα-helixtrans-57.3-38.418000000112.5I54 A65 I66 F72 D73 V74 C76I54-A69 HydrophobicContact CB-CB 4.09Å; I54-A69 HydrophobicContact CG1-CB 3.66Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 3.18Å; I66-A69 PolarHBondContact O-N 2.89Å; A69-F72 PolarHBondContact O-N 3.36Å; A69-D73 PolarHBondContact O-N 3.18Å; A69-V74 WeakPolarHBondContact CB-O 3.27Å; A69-V74 PolarHBondContact O-N 2.88Å; A69-V74 VanDerWaalsContact O-N 3.11Å; A69-C76 HydrophobicContact CB-CB 3.68Å
70L98.8Very high98.3Very high119 Ų11943 Ų4362%0.62323%0.229SC*.Hα-helixtrans-60.7-43.7173.6-179.266.2000112.4I66 M67 A68 D73I66-L70 WeakPolarHBondContact O-CB 3.31Å; I66-L70 PolarHBondContact O-N 3.4Å; M67-L70 WeakPolarHBondContact O-CB 3.22Å; M67-L70 PolarHBondContact O-N 3.09Å; A68-L70 PolarHBondContact O-N 2.94Å; L70-D73 PolarHBondContact O-N 3.08Å
71H98.8Very high98.1Very high57 Ų5746.4 Ų46.426%0.26424%0.24SC..Hα-helixtrans-70.8-34.2177.8-75.2-73.1000112.9N36 R40 Y43 M67 A68 D73N36-H71 PolarHBondContact O-NE2 3.43Å; N36-H71 PolarHBondContact OD1-NE2 3.25Å; R40-H71 PolarHBondContact N-CD2 3.07Å; R40-H71 VanDerWaalsContact N-CD2 3.31Å; Y43-H71 HydrophobicContact CD2-CB 4.12Å; Y43-H71 WeakPolarHBondContact CD2-O 3.43Å; Y43-H71 WeakPolarHBondContact CE2-O 3.38Å; Y43-H71 HydrophobicContact CG-CB 3.9Å; M67-H71 PolarHBondContact O-CD2 2.88Å; M67-H71 PolarHBondContact O-N 3.02Å; A68-H71 PolarHBondContact O-N 3.48Å; H71-D73 VanDerWaalsContact C-N 3.3Å
72F98.8Very high97.4Very high27 Ų2749.3 Ų49.312%0.11826%0.264CS..Hα-helixtrans-76.1-15.4175-81.7-78000113.9Y43 F46 I51 I54 A68 A69 V74 L121Y43-F72 VanDerWaalsContact CA-CZ 3.5Å; Y43-F72 AromaticContact CD2-CD1 3.84Å; Y43-F72 HydrophobicContact CD2-CD1 3.84Å; Y43-F72 HydrophobicContact CD2-CD2 4.24Å; Y43-F72 AromaticContact CD2-CE1 3.95Å; Y43-F72 HydrophobicContact CD2-CE1 3.95Å; Y43-F72 HydrophobicContact CD2-CE2 4.32Å; Y43-F72 AromaticContact CD2-CG 3.97Å; Y43-F72 HydrophobicContact CD2-CG 3.97Å; Y43-F72 HydrophobicContact CD2-CZ 4.16Å; Y43-F72 HydrophobicContact CE2-CD1 4.3Å; F46-F72 HydrophobicContact CB-CE1 4.41Å; F46-F72 HydrophobicContact CB-CZ 3.8Å; I51-F72 HydrophobicContact CB-CD1 3.75Å; I51-F72 HydrophobicContact CB-CE1 3.82Å; I51-F72 HydrophobicContact CB-CG 4.42Å; I51-F72 HydrophobicContact CG1-CD1 3.97Å; I51-F72 HydrophobicContact CG1-CE1 3.46Å; I51-F72 VanDerWaalsContact CG1-CE1 3.46Å; I51-F72 HydrophobicContact CG1-CZ 3.96Å; I51-F72 HydrophobicContact CG2-CD1 4.22Å; I51-F72 HydrophobicContact CG2-CE1 4.45Å; I51-F72 HydrophobicContact CG2-CG 4.41Å; I54-F72 HydrophobicContact CD1-CD2 3.95Å; I54-F72 HydrophobicContact CD1-CE2 4.32Å; A68-F72 VanDerWaalsContact O-CD2 3.25Å; A68-F72 WeakPolarHBondContact O-CD2 3.33Å; A68-F72 PolarHBondContact O-N 3.24Å; A69-F72 PolarHBondContact O-N 3.36Å; F72-V74 VanDerWaalsContact C-N 3.35Å; F72-V74 HydrophobicContact CB-CB 4.45Å; F72-V74 HydrophobicContact CB-CG1 4.23Å; F72-V74 HydrophobicContact CB-CG2 3.63Å; F72-L121 HydrophobicContact CE2-CD2 3.8Å; F72-L121 HydrophobicContact CZ-CD2 4.05Å
73D98.6Very high96.2Very high149 Ų14953 Ų5380%0.79728%0.278SS*.THydrogen-bonded Turntrans55.646.7-169.9-163.332.4000112.6A69 L70 H71A69-D73 PolarHBondContact O-N 3.18Å; L70-D73 PolarHBondContact O-N 3.08Å; H71-D73 VanDerWaalsContact C-N 3.3Å
74V98.8Very high94.9Very high29 Ų2953.3 Ų53.318%0.17628%0.279CS..SBendtrans-132162.4-179.6-60.60000111.9I51 I54 A69 F72I51-V74 HydrophobicContact CG2-CG2 4.46Å; I54-V74 HydrophobicContact CG1-CG2 4.05Å; A69-V74 WeakPolarHBondContact CB-O 3.27Å; A69-V74 PolarHBondContact O-N 2.88Å; A69-V74 VanDerWaalsContact O-N 3.11Å; F72-V74 VanDerWaalsContact C-N 3.35Å; F72-V74 HydrophobicContact CB-CB 4.45Å; F72-V74 HydrophobicContact CB-CG1 4.23Å; F72-V74 HydrophobicContact CB-CG2 3.63Å
75P98.7Very high93.7Very high80 Ų8059.3 Ų59.352%0.51932%0.321SS..  trans-63.5144.8173.7-22.734.5000113.2I54I54-P75 PolarHBondContact N-O 3.1Å
76C98.8Very high92.3Very high32 Ų3264.5 Ų64.522%0.21635%0.353CS..EExtended strand (participates in β ladder)trans-100.9119.9166.4-175.40000109.7I66 A69I66-C76 HydrophobicContact CD1-CB 3.6Å; A69-C76 HydrophobicContact CB-CB 3.68Å
77L98.6Very high90.9Very high21 Ų2162.3 Ų62.311%0.1134%0.342CS..EExtended strand (participates in β ladder)trans-108.4128.4175.3-179.758.1000109.4K53 I54 L55 T56 V109 F113 L114K53-L77 HydrophobicContact CD-CB 4.18Å; K53-L77 HydrophobicContact CD-CD2 4.07Å; K53-L77 HydrophobicContact CG-CB 4.3Å; I54-L77 PolarHBondContact O-N 3.16Å; L55-L77 CarbonylContact C-O 3.59Å; L55-L77 WeakPolarHBondContact CA-O 3.1Å; L55-L77 HydrophobicContact CD1-CB 4.34Å; L55-L77 HydrophobicContact CD1-CD2 4.23Å; L55-L77 HydrophobicContact CD1-CG 4.07Å; T56-L77 PolarHBondContact N-O 3.48Å; L77-V109 HydrophobicContact CD1-CG1 4.4Å; L77-V109 HydrophobicContact CD2-CG1 3.6Å; L77-V109 HydrophobicContact CG-CG1 4.22Å; L77-F113 HydrophobicContact CD1-CB 3.8Å; L77-F113 HydrophobicContact CD1-CD2 4.25Å; L77-F113 HydrophobicContact CD1-CG 4.34Å; L77-F113 HydrophobicContact CD2-CB 3.88Å; L77-F113 WeakPolarHBondContact CD2-O 3.41Å; L77-F113 HydrophobicContact CG-CB 4.48Å; L77-L114 HydrophobicContact CD2-CB 4.14Å
78F98.2Very high89.6Confident84 Ų8465.8 Ų65.837%0.36837%0.365SS..EExtended strand (participates in β ladder)trans-117.3133.1175.464.3-88000110.9T56 E58 I62 K80T56-F78 HydrophobicContact CG2-CB 3.55Å; T56-F78 CarbonylContact O-C 3.43Å; T56-F78 WeakPolarHBondContact O-CA 3.46Å; E58-F78 HydrophobicContact CB-CD2 4.2Å; I62-F78 HydrophobicContact CD1-CB 4.36Å; I62-F78 HydrophobicContact CD1-CD1 4.44Å; I62-F78 HydrophobicContact CD1-CD2 4.06Å; I62-F78 HydrophobicContact CD1-CE2 4.47Å; I62-F78 HydrophobicContact CD1-CG 4.04Å; I62-F78 HydrophobicContact CG1-CB 4.06Å; I62-F78 HydrophobicContact CG1-CG 4.23Å; F78-K80 HydrophobicContact CD2-CG 4.45Å; F78-K80 HydrophobicContact CE2-CG 4.24Å
79A97.6Very high88.6Confident0 Ų071.4 Ų71.40%040%0.395CS..EExtended strand (participates in β ladder)trans-75.5143.5175.300000111T56 I57 E58 V107 I108 V109 L136T56-A79 PolarHBondContact O-N 3.26Å; I57-A79 HydrophobicContact CG1-CB 4.37Å; E58-A79 PolarHBondContact N-O 3.42Å; E58-A79 VanDerWaalsContact N-O 3.12Å; A79-V107 HydrophobicContact CB-CG1 3.36Å; A79-I108 WeakPolarHBondContact CA-O 3.17Å; A79-V109 HydrophobicContact CB-CG2 3.59Å; A79-L136 HydrophobicContact CB-CD2 3.63Å
80K95Very high88.2Confident73 Ų7372.5 Ų72.532%0.31741%0.408SS..BIsolated β-bridgetrans-102.6137.1-176.9-53-17681.1171.80110.5E58 F78 A82 P84 V107 I108E58-K80 WeakPolarHBondContact OE1-CA 3.5Å; F78-K80 HydrophobicContact CD2-CG 4.45Å; F78-K80 HydrophobicContact CE2-CG 4.24Å; K80-A82 VanDerWaalsContact C-N 3.28Å; K80-P84 HydrophobicContact CD-CG 4.21Å; K80-V107 CarbonylContact O-C 3.55Å; K80-V107 VanDerWaalsContact O-CA 3.32Å; K80-V107 WeakPolarHBondContact O-CA 3.35Å; K80-I108 HydrophobicContact CB-CG1 4.21Å; K80-I108 PolarHBondContact N-O 3.06Å; K80-I108 PolarHBondContact O-N 3.22Å
81K91.7Very high88Confident101 Ų10170 Ų7044%0.43939%0.39SS..SBendtrans-84.1-1.8177.5-70.8172.3173.1158.80113.2I57 E58 T106 V107I57-K81 HydrophobicContact CD1-CG 4.21Å; I57-K81 HydrophobicContact CG1-CG 4.42Å; E58-K81 HydrophobicContact CG-CD 4.31Å; E58-K81 HydrophobicContact CG-CG 4.25Å; E58-K81 VanDerWaalsContact O-CE 3.27Å; E58-K81 WeakPolarHBondContact O-CE 3.46Å; E58-K81 PolarHBondContact O-NZ 3.08Å; E58-K81 PolarHBondContact OE1-N 3.25Å; K81-T106 CarbonylContact C-O 3.53Å; K81-V107 HydrophobicContact CG-CG2 4.17Å
82A82.5Confident87.9Confident63 Ų6368.8 Ų68.852%0.52138%0.383SS..SBendtrans-138.6138.2175.800000109.7K80 P84K80-A82 VanDerWaalsContact C-N 3.28Å; A82-P84 VanDerWaalsContact O-CD 3.22Å; A82-P84 WeakPolarHBondContact O-CD 3.46Å
83K73.8Confident87.7Confident130 Ų13072 Ų7257%0.56540%0.399SS*.  trans-67.7113.6174.4-173.9172.9177.91710109.1Y91 I108K83-Y91 HydrophobicContact CD-CE1 4.24Å; K83-Y91 PolarHBondContact NZ-OH 3.02Å; K83-I108 HydrophobicContact CB-CD1 4.45Å; K83-I108 HydrophobicContact CG-CD1 4.44Å
84P72.3Confident87.6Confident22 Ų2265.9 Ų65.914%0.14337%0.367CS..  trans-71.7141.8171.830.3-28.1000108.5K80 A82 T86 L87K80-P84 HydrophobicContact CD-CG 4.21Å; A82-P84 VanDerWaalsContact O-CD 3.22Å; A82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-T86 PolarHBondContact O-N 3.38Å; P84-T86 VanDerWaalsContact O-N 3.07Å; P84-L87 HydrophobicContact CG-CB 4.23Å; P84-L87 HydrophobicContact CG-CD1 3.54Å; P84-L87 PolarHBondContact O-N 2.69Å
85S72.3Confident87.5Confident126 Ų12668.5 Ų68.588%0.88139%0.386SS*.THydrogen-bonded Turntrans-59.8-17.9176.948.60000113.4
86T70.5Confident87.3Confident109 Ų10965.5 Ų65.567%0.66937%0.366SS*.THydrogen-bonded Turntrans-86.1-7-176.358.60000114.5P84 T88P84-T86 PolarHBondContact O-N 3.38Å; P84-T86 VanDerWaalsContact O-N 3.07Å; T86-T88 PolarHBondContact O-N 2.99Å
87L69.1Low87Confident39 Ų3966.3 Ų66.320%0.20437%0.367CS..  trans-81.5103.9-177.7-125.9103000110.7P84 Y91 I108P84-L87 HydrophobicContact CG-CB 4.23Å; P84-L87 HydrophobicContact CG-CD1 3.54Å; P84-L87 PolarHBondContact O-N 2.69Å; L87-Y91 HydrophobicContact CD2-CD1 3.64Å; L87-Y91 HydrophobicContact CD2-CG 4.01Å; L87-I108 HydrophobicContact CD2-CD1 4.25Å
88T71.6Confident86.3Confident117 Ų11767 Ų6772%0.71837%0.373SS*.  trans-100.3-33.6-178.751.70000113.5T86 G90T86-T88 PolarHBondContact O-N 2.99Å; T88-G90 VanDerWaalsContact C-N 3.27Å; T88-G90 PolarHBondContact O-N 2.9Å
89D77Confident85.5Confident118 Ų11868.6 Ų68.663%0.63138%0.38SS*.SBendtrans-94.423.9-163.1-61.1-7.7000113.6
90G90.8Very high84.5Confident27 Ų2774.2 Ų74.228%0.27842%0.415SS..  trans80.3167.5-17900000113.8T88 K111T88-G90 VanDerWaalsContact C-N 3.27Å; T88-G90 PolarHBondContact O-N 2.9Å; G90-K111 PolarHBondContact O-N 3.28Å
91Y94.2Very high83.8Confident67 Ų6778.7 Ų78.726%0.26343%0.434SS..EExtended strand (participates in β ladder)trans-150.2156.6-177.744.9-92000110.4K83 L87 E93 I108 V109K83-Y91 HydrophobicContact CD-CE1 4.24Å; K83-Y91 PolarHBondContact NZ-OH 3.02Å; L87-Y91 HydrophobicContact CD2-CD1 3.64Å; L87-Y91 HydrophobicContact CD2-CG 4.01Å; Y91-E93 HydrophobicContact CD2-CB 3.96Å; Y91-E93 HydrophobicContact CD2-CG 4.42Å; Y91-E93 HydrophobicContact CE2-CB 4.14Å; Y91-E93 HydrophobicContact CE2-CG 4.26Å; Y91-E93 VanDerWaalsContact CE2-OE2 3.27Å; Y91-E93 WeakPolarHBondContact CE2-OE2 3.34Å; Y91-I108 HydrophobicContact CD2-CB 4.35Å; Y91-I108 HydrophobicContact CD2-CG2 3.9Å; Y91-I108 HydrophobicContact CE2-CG2 4.29Å; Y91-I108 HydrophobicContact CG-CB 4.48Å; Y91-I108 HydrophobicContact CG-CG2 4.45Å; Y91-V109 CarbonylContact C-O 3.59Å; Y91-V109 WeakPolarHBondContact CA-O 3.36Å; Y91-V109 VanDerWaalsContact CB-O 3.25Å; Y91-V109 WeakPolarHBondContact CB-O 3.39Å
92Y96.3Very high83.5Confident30 Ų3080.2 Ų80.212%0.11845%0.447CS..EExtended strand (participates in β ladder)trans-83.9142.9157.3-56.7-64.2000108.1I108 V109 K111 L114 Q142 A143Y92-I108 VanDerWaalsContact O-CA 3.27Å; Y92-I108 WeakPolarHBondContact O-CA 3.32Å; Y92-V109 PolarHBondContact N-O 3Å; Y92-V109 PolarHBondContact O-N 3.26Å; Y92-K111 HydrophobicContact CD1-CG 4.43Å; Y92-K111 HydrophobicContact CD2-CG 4.08Å; Y92-K111 HydrophobicContact CE1-CD 4.25Å; Y92-K111 HydrophobicContact CE1-CG 4.14Å; Y92-K111 HydrophobicContact CE2-CB 4.18Å; Y92-K111 HydrophobicContact CE2-CG 3.73Å; Y92-K111 HydrophobicContact CG-CG 4.42Å; Y92-L114 HydrophobicContact CD2-CD2 4.49Å; Y92-L114 HydrophobicContact CE2-CB 4.38Å; Y92-Q142 HydrophobicContact CD1-CB 3.51Å; Y92-Q142 HydrophobicContact CE1-CB 4.07Å; Y92-Q142 WeakPolarHBondContact CE1-O 3.17Å; Y92-Q142 HydrophobicContact CG-CB 4.17Å; Y92-A143 HydrophobicContact CD2-CB 4.09Å; Y92-A143 HydrophobicContact CE1-CB 4.23Å; Y92-A143 HydrophobicContact CE2-CB 3.48Å; Y92-A143 VanDerWaalsContact CE2-CB 3.48Å; Y92-A143 VanDerWaalsContact CZ-CA 3.47Å; Y92-A143 WeakPolarHBondContact OH-CA 3.33Å
93E95.7Very high83.9Confident95 Ų9583.5 Ų83.544%0.44445%0.449SS..EExtended strand (participates in β ladder)trans-140.1147.8179.767.2175.4-173.300112.3Y91 T106 V107 I108 Q142Y91-E93 HydrophobicContact CD2-CB 3.96Å; Y91-E93 HydrophobicContact CD2-CG 4.42Å; Y91-E93 HydrophobicContact CE2-CB 4.14Å; Y91-E93 HydrophobicContact CE2-CG 4.26Å; Y91-E93 VanDerWaalsContact CE2-OE2 3.27Å; Y91-E93 WeakPolarHBondContact CE2-OE2 3.34Å; E93-T106 HydrophobicContact CB-CG2 4.21Å; E93-V107 VanDerWaalsContact CA-O 3.29Å; E93-V107 WeakPolarHBondContact CA-O 3.41Å; E93-I108 HydrophobicContact CB-CG2 3.82Å; E93-Q142 PolarHBondContact O-NE2 3.49Å; E93-Q142 PolarHBondContact O-OE1 3.29Å
94T97.1Very high84.7Confident21 Ų2181.1 Ų81.113%0.12945%0.446CS..EExtended strand (participates in β ladder)trans-144.1163.8173.2-162.40000109.9I96 T106 V107 G135 D138 I139T94-I96 HydrophobicContact CG2-CD1 4.2Å; T94-I96 HydrophobicContact CG2-CG1 4.03Å; T94-T106 WeakPolarHBondContact O-CA 3.36Å; T94-V107 HydrophobicContact CG2-CB 4.16Å; T94-V107 PolarHBondContact N-O 3.48Å; T94-V107 PolarHBondContact O-N 2.77Å; T94-G135 WeakPolarHBondContact CG2-O 3.42Å; T94-D138 WeakPolarHBondContact CB-OD2 3.02Å; T94-D138 PolarHBondContact OG1-OD2 3.44Å; T94-I139 HydrophobicContact CG2-CD1 3.9Å; T94-I139 HydrophobicContact CG2-CG1 3.97Å
95S95.4Very high85.6Confident83 Ų8381.7 Ų81.758%0.5845%0.451SS*.EExtended strand (participates in β ladder)trans-108120.6176.3-71.30000110.1
96I94.8Very high86.7Confident17 Ų1779 Ų799%0.08743%0.429CS..EExtended strand (participates in β ladder)trans-110.8123.3179.1-62.7175.1000109I57 T94 T104 S105 V107 D131 A132I57-I96 HydrophobicContact CD1-CD1 3.9Å; T94-I96 HydrophobicContact CG2-CD1 4.2Å; T94-I96 HydrophobicContact CG2-CG1 4.03Å; I96-T104 WeakPolarHBondContact O-CA 3.25Å; I96-S105 PolarHBondContact N-O 2.87Å; I96-S105 PolarHBondContact O-N 3.04Å; I96-V107 HydrophobicContact CB-CG2 4.27Å; I96-V107 HydrophobicContact CD1-CB 3.98Å; I96-V107 HydrophobicContact CD1-CG1 4.26Å; I96-V107 HydrophobicContact CD1-CG2 3.6Å; I96-V107 HydrophobicContact CG1-CG2 4.05Å; I96-D131 HydrophobicContact CG2-CB 4.14Å; I96-A132 HydrophobicContact CG2-CB 4.31Å
97H91.5Very high87.9Confident50 Ų5073.9 Ų73.923%0.23140%0.398CS..EExtended strand (participates in β ladder)trans-90.8120.4175.5-170.776.4000111.1F99 T104H97-F99 AromaticContact CD2-CD1 3.98Å; H97-F99 AromaticContact CD2-CD2 3.78Å; H97-F99 AromaticContact CD2-CE1 3.99Å; H97-F99 AromaticContact CD2-CE2 3.8Å; H97-F99 AromaticContact CD2-CG 3.89Å; H97-F99 AromaticContact CD2-CZ 3.91Å; H97-T104 PolarHBondContact ND1-OG1 3.06Å
98S84.2Confident89.1Confident36 Ų3672.3 Ų72.325%0.25239%0.389SS..EExtended strand (participates in β ladder)trans-92.2106.5171.2175.60000109.5T100 K101 N102 K103S98-T100 VanDerWaalsContact C-N 3.3Å; S98-T100 PolarHBondContact O-N 3.34Å; S98-T100 PolarHBondContact OG-OG1 2.64Å; S98-K101 CarbonylContact O-C 3.54Å; S98-K101 PolarHBondContact O-N 2.89Å; S98-K101 PolarHBondContact OG-N 3.37Å; S98-N102 VanDerWaalsContact O-CA 3.23Å; S98-N102 WeakPolarHBondContact O-CA 3.19Å; S98-N102 PolarHBondContact O-N 2.87Å; S98-K103 PolarHBondContact N-O 2.92Å; S98-K103 PolarHBondContact O-N 3.37Å; S98-K103 VanDerWaalsContact O-N 3.12Å
99F82.4Confident90.3Very high117 Ų11767 Ų6751%0.51336%0.356SS..THydrogen-bonded Turntrans-65-34.3176.6-71.9-92.8000112.8H97 K101 N102 N129 D131H97-F99 AromaticContact CD2-CD1 3.98Å; H97-F99 AromaticContact CD2-CD2 3.78Å; H97-F99 AromaticContact CD2-CE1 3.99Å; H97-F99 AromaticContact CD2-CE2 3.8Å; H97-F99 AromaticContact CD2-CG 3.89Å; H97-F99 AromaticContact CD2-CZ 3.91Å; F99-K101 VanDerWaalsContact C-N 3.3Å; F99-K101 PolarHBondContact O-N 2.8Å; F99-N102 PolarHBondContact O-N 3.21Å; F99-N129 HydrophobicContact CD2-CB 4.07Å; F99-N129 WeakPolarHBondContact CD2-ND2 3.41Å; F99-N129 HydrophobicContact CE2-CB 4.14Å; F99-N129 WeakPolarHBondContact CE2-ND2 3.33Å; F99-N129 WeakPolarHBondContact CG-ND2 3.16Å; F99-D131 VanDerWaalsContact CE2-OD2 3.27Å; F99-D131 WeakPolarHBondContact CE2-OD2 3.23Å
100T76Confident91.2Very high118 Ų11862 Ų6272%0.72433%0.331SS*.THydrogen-bonded Turntrans-67.5-30.7177.350.20000112.6S98S98-T100 VanDerWaalsContact C-N 3.3Å; S98-T100 PolarHBondContact O-N 3.34Å; S98-T100 PolarHBondContact OG-OG1 2.64Å
101K79.6Confident91.4Very high166 Ų16665.7 Ų65.772%0.72234%0.339SS*.THydrogen-bonded Turntrans-102.8-2.1177.4-61.3-177.2-179.2-179.20113.4S98 F99 K103S98-K101 CarbonylContact O-C 3.54Å; S98-K101 PolarHBondContact O-N 2.89Å; S98-K101 PolarHBondContact OG-N 3.37Å; F99-K101 VanDerWaalsContact C-N 3.3Å; F99-K101 PolarHBondContact O-N 2.8Å; K101-K103 HydrophobicContact CB-CB 4.27Å; K101-K103 PolarHBondContact O-N 3.38Å
102N86.8Confident91.4Very high133 Ų13368.9 Ų68.971%0.71136%0.357SS*.THydrogen-bonded Turntrans41.448.1-168.7-166.629.6000112.9S98 F99S98-N102 VanDerWaalsContact O-CA 3.23Å; S98-N102 WeakPolarHBondContact O-CA 3.19Å; S98-N102 PolarHBondContact O-N 2.87Å; F99-N102 PolarHBondContact O-N 3.21Å
103K89.8Confident91.5Very high132 Ų13272.2 Ų72.257%0.57437%0.372SS*.EExtended strand (participates in β ladder)trans-138.8131-173.3-175.8177.4179.8-179.80110.8S98 K101S98-K103 PolarHBondContact N-O 2.92Å; S98-K103 PolarHBondContact O-N 3.37Å; S98-K103 VanDerWaalsContact O-N 3.12Å; K101-K103 HydrophobicContact CB-CB 4.27Å; K101-K103 PolarHBondContact O-N 3.38Å
104T92Very high91.6Very high80 Ų8067.9 Ų67.949%0.49135%0.352SS..EExtended strand (participates in β ladder)trans-89131.8168-54.70000109.7I96 H97I96-T104 WeakPolarHBondContact O-CA 3.25Å; H97-T104 PolarHBondContact ND1-OG1 3.06Å
105S91.6Very high91.6Very high35 Ų3569.1 Ų69.125%0.24536%0.361CS..EExtended strand (participates in β ladder)trans-124.1136.2176.6-76.70000110.2I96I96-S105 PolarHBondContact N-O 2.87Å; I96-S105 PolarHBondContact O-N 3.04Å
106T93.6Very high91.8Very high70 Ų7072 Ų7243%0.42937%0.365SS..EExtended strand (participates in β ladder)trans-72.6131.1167.8-52.50000109K81 E93 T94 I108K81-T106 CarbonylContact C-O 3.53Å; E93-T106 HydrophobicContact CB-CG2 4.21Å; T94-T106 WeakPolarHBondContact O-CA 3.36Å; T106-I108 HydrophobicContact CG2-CG2 4.02Å
107V95.5Very high91.9Very high1 Ų179 Ų791%0.00640%0.398CS..EExtended strand (participates in β ladder)trans-119.1134.6178.2175.80000107.9I57 A79 K80 K81 E93 T94 I96 I139I57-V107 HydrophobicContact CD1-CB 4.4Å; I57-V107 HydrophobicContact CD1-CG1 3.8Å; I57-V107 HydrophobicContact CD1-CG2 3.7Å; I57-V107 HydrophobicContact CG1-CG1 4.28Å; A79-V107 HydrophobicContact CB-CG1 3.36Å; K80-V107 CarbonylContact O-C 3.55Å; K80-V107 VanDerWaalsContact O-CA 3.32Å; K80-V107 WeakPolarHBondContact O-CA 3.35Å; K81-V107 HydrophobicContact CG-CG2 4.17Å; E93-V107 VanDerWaalsContact CA-O 3.29Å; E93-V107 WeakPolarHBondContact CA-O 3.41Å; T94-V107 HydrophobicContact CG2-CB 4.16Å; T94-V107 PolarHBondContact N-O 3.48Å; T94-V107 PolarHBondContact O-N 2.77Å; I96-V107 HydrophobicContact CB-CG2 4.27Å; I96-V107 HydrophobicContact CD1-CB 3.98Å; I96-V107 HydrophobicContact CD1-CG1 4.26Å; I96-V107 HydrophobicContact CD1-CG2 3.6Å; I96-V107 HydrophobicContact CG1-CG2 4.05Å; V107-I139 HydrophobicContact CG1-CD1 4.11Å
108I95.8Very high92.3Very high6 Ų677.3 Ų77.33%0.03139%0.39CS..EExtended strand (participates in β ladder)trans-131.9152.1-173.363.6154.3000113.2A79 K80 K83 L87 Y91 Y92 E93 T106A79-I108 WeakPolarHBondContact CA-O 3.17Å; K80-I108 HydrophobicContact CB-CG1 4.21Å; K80-I108 PolarHBondContact N-O 3.06Å; K80-I108 PolarHBondContact O-N 3.22Å; K83-I108 HydrophobicContact CB-CD1 4.45Å; K83-I108 HydrophobicContact CG-CD1 4.44Å; L87-I108 HydrophobicContact CD2-CD1 4.25Å; Y91-I108 HydrophobicContact CD2-CB 4.35Å; Y91-I108 HydrophobicContact CD2-CG2 3.9Å; Y91-I108 HydrophobicContact CE2-CG2 4.29Å; Y91-I108 HydrophobicContact CG-CB 4.48Å; Y91-I108 HydrophobicContact CG-CG2 4.45Å; Y92-I108 VanDerWaalsContact O-CA 3.27Å; Y92-I108 WeakPolarHBondContact O-CA 3.32Å; E93-I108 HydrophobicContact CB-CG2 3.82Å; T106-I108 HydrophobicContact CG2-CG2 4.02Å
109V96.3Very high93Very high4 Ų476.6 Ų76.62%0.02439%0.385CS..EExtended strand (participates in β ladder)trans-134.3134170.4167.70000108.8L55 L77 A79 Y91 Y92 L114 I139L55-V109 HydrophobicContact CD1-CG2 4.21Å; L77-V109 HydrophobicContact CD1-CG1 4.4Å; L77-V109 HydrophobicContact CD2-CG1 3.6Å; L77-V109 HydrophobicContact CG-CG1 4.22Å; A79-V109 HydrophobicContact CB-CG2 3.59Å; Y91-V109 CarbonylContact C-O 3.59Å; Y91-V109 WeakPolarHBondContact CA-O 3.36Å; Y91-V109 VanDerWaalsContact CB-O 3.25Å; Y91-V109 WeakPolarHBondContact CB-O 3.39Å; Y92-V109 PolarHBondContact N-O 3Å; Y92-V109 PolarHBondContact O-N 3.26Å; V109-L114 HydrophobicContact CG1-CB 4.24Å; V109-L114 HydrophobicContact CG1-CD2 4.4Å; V109-I139 HydrophobicContact CB-CG2 3.87Å; V109-I139 HydrophobicContact CG1-CG2 4.46Å; V109-I139 HydrophobicContact CG2-CD1 4.15Å; V109-I139 HydrophobicContact CG2-CG2 3.86Å
110S95Very high93.8Very high13 Ų1371 Ų719%0.09136%0.36CS..EExtended strand (participates in β ladder)trans-64136.6175.3-176.40000110.6E112 F113S110-E112 PolarHBondContact O-N 3.22Å; S110-E112 WeakPolarHBondContact OG-CB 3.3Å; S110-E112 PolarHBondContact OG-N 3.27Å; S110-F113 PolarHBondContact O-N 2.87Å
111K95.5Very high94.9Very high106 Ų10665.4 Ų65.446%0.46133%0.326SS..G310 helixtrans-63.1-21.9176-67.9-167.9172.1-171.90113.1G90 Y92 F113G90-K111 PolarHBondContact O-N 3.28Å; Y92-K111 HydrophobicContact CD1-CG 4.43Å; Y92-K111 HydrophobicContact CD2-CG 4.08Å; Y92-K111 HydrophobicContact CE1-CD 4.25Å; Y92-K111 HydrophobicContact CE1-CG 4.14Å; Y92-K111 HydrophobicContact CE2-CB 4.18Å; Y92-K111 HydrophobicContact CE2-CG 3.73Å; Y92-K111 HydrophobicContact CG-CG 4.42Å; K111-F113 PolarHBondContact O-N 3.25Å
112E95.1Very high95.8Very high134 Ų13457.5 Ų57.563%0.62629%0.292SS*.G310 helixtrans-59.5-29.5176.3-172.2-174168.100113.2S110S110-E112 PolarHBondContact O-N 3.22Å; S110-E112 WeakPolarHBondContact OG-CB 3.3Å; S110-E112 PolarHBondContact OG-N 3.27Å
113F97Very high96.4Very high100 Ų10051.2 Ų51.244%0.43926%0.258SS..G310 helixtrans-110.74.5-168.2-55.5-53.5000114.6K53 L77 S110 K111K53-F113 VanDerWaalsContact CD-O 3.28Å; K53-F113 WeakPolarHBondContact CD-O 3.48Å; K53-F113 WeakPolarHBondContact CE-O 3.41Å; L77-F113 HydrophobicContact CD1-CB 3.8Å; L77-F113 HydrophobicContact CD1-CD2 4.25Å; L77-F113 HydrophobicContact CD1-CG 4.34Å; L77-F113 HydrophobicContact CD2-CB 3.88Å; L77-F113 WeakPolarHBondContact CD2-O 3.41Å; L77-F113 HydrophobicContact CG-CB 4.48Å; S110-F113 PolarHBondContact O-N 2.87Å; K111-F113 PolarHBondContact O-N 3.25Å
114L98.3Very high96.8Very high3 Ų345.1 Ų45.12%0.01623%0.232CC..  trans-146120.4-179.7-171.564.7000110.3K53 L77 Y92 V109 D118 V120 I139 A143 A145K53-L114 HydrophobicContact CD-CD1 4.31Å; L77-L114 HydrophobicContact CD2-CB 4.14Å; Y92-L114 HydrophobicContact CD2-CD2 4.49Å; Y92-L114 HydrophobicContact CE2-CB 4.38Å; V109-L114 HydrophobicContact CG1-CB 4.24Å; V109-L114 HydrophobicContact CG1-CD2 4.4Å; L114-D118 HydrophobicContact CD1-CB 4.13Å; L114-V120 HydrophobicContact CD1-CG1 3.64Å; L114-I139 HydrophobicContact CD2-CG2 3.91Å; L114-A143 HydrophobicContact CB-CB 4.3Å; L114-A143 HydrophobicContact CD2-CB 3.68Å; L114-A143 HydrophobicContact CG-CB 3.57Å; L114-A145 HydrophobicContact CD1-CB 4.07Å; L114-A145 HydrophobicContact CG-CB 4.4Å
115S98Very high97Very high48 Ų4842.3 Ų42.334%0.33621%0.214SC..  trans-129.5173.5-176.6750000112.6E117 D118 A143 A145S115-E117 PolarHBondContact O-N 3.29Å; S115-E117 PolarHBondContact OG-N 2.63Å; S115-D118 PolarHBondContact N-OD2 3.15Å; S115-D118 WeakPolarHBondContact O-CB 3.34Å; S115-D118 PolarHBondContact O-N 2.71Å; S115-D118 VanDerWaalsContact O-N 3.14Å; S115-A143 CarbonylContact C-O 3.5Å; S115-A145 WeakPolarHBondContact O-CB 3.47Å
116E98.5Very high97.3Very high142 Ų14242.3 Ų42.366%0.66421%0.209SC*.THydrogen-bonded Turntrans-66.5-18.4176.666-174.8-179.200114D118 A143 N144E116-D118 PolarHBondContact O-N 3.08Å; E116-A143 WeakPolarHBondContact CA-O 3.48Å; E116-A143 PolarHBondContact N-O 2.95Å; E116-N144 HydrophobicContact CB-CB 3.9Å
117E98.4Very high97.5Very high166 Ų16639 Ų3978%0.77619%0.189SC*.THydrogen-bonded Turntrans-77.8-12.5175.8-59.6-173.1155.800112.1S115S115-E117 PolarHBondContact O-N 3.29Å; S115-E117 PolarHBondContact OG-N 2.63Å
118D98.8Very high97.4Very high13 Ų1340.3 Ų40.37%0.0720%0.2CC..  trans-78.1138.6-176.2-83.1-49.1000113.6T52 K53 L114 S115 E116 V120 A145 K146T52-D118 VanDerWaalsContact OG1-CA 3.32Å; T52-D118 WeakPolarHBondContact OG1-CA 3.45Å; T52-D118 PolarHBondContact OG1-OD1 3.39Å; K53-D118 IonicContact NZ-OD1 3.63Å; K53-D118 PolarHBondContact NZ-OD1 3.33Å; K53-D118 IonicContact NZ-OD2 2.59Å; K53-D118 PolarHBondContact NZ-OD2 3.42Å; L114-D118 HydrophobicContact CD1-CB 4.13Å; S115-D118 PolarHBondContact N-OD2 3.15Å; S115-D118 WeakPolarHBondContact O-CB 3.34Å; S115-D118 PolarHBondContact O-N 2.71Å; S115-D118 VanDerWaalsContact O-N 3.14Å; E116-D118 PolarHBondContact O-N 3.08Å; D118-V120 HydrophobicContact CB-CG1 4.15Å; D118-A145 HydrophobicContact CB-CB 4.09Å; D118-K146 PolarHBondContact O-N 3.05Å
119T98.9Very high97.4Very high22 Ų2241.5 Ų41.514%0.13521%0.206CC..EExtended strand (participates in β ladder)trans-111.8104.3162.2-64.80000108.6G50 I51 T52 K146 A148G50-T119 WeakPolarHBondContact O-CB 3.46Å; I51-T119 WeakPolarHBondContact CA-O 3.48Å; I51-T119 HydrophobicContact CD1-CG2 4.3Å; T52-T119 PolarHBondContact N-O 3.36Å; T52-T119 PolarHBondContact OG1-N 3.04Å; T52-T119 PolarHBondContact OG1-O 3.06Å; T119-K146 CarbonylContact C-O 3.49Å; T119-K146 VanDerWaalsContact CA-O 3.32Å; T119-K146 WeakPolarHBondContact CA-O 3.43Å; T119-K146 HydrophobicContact CG2-CD 4.17Å; T119-K146 HydrophobicContact CG2-CG 4.4Å; T119-A148 HydrophobicContact CG2-CB 3.82Å
120V98.9Very high97.3Very high0 Ų041.5 Ų41.50%021%0.207CC..EExtended strand (participates in β ladder)trans-92.5139.4-173.4-54.40000112.4K53 L55 L114 D118 I122 A140 A145 K146 T147 A148K53-V120 HydrophobicContact CB-CG1 4.26Å; K53-V120 WeakPolarHBondContact O-CA 3.47Å; L55-V120 HydrophobicContact CB-CB 4.43Å; L114-V120 HydrophobicContact CD1-CG1 3.64Å; D118-V120 HydrophobicContact CB-CG1 4.15Å; V120-I122 HydrophobicContact CG2-CG1 4.45Å; V120-A140 HydrophobicContact CG2-CB 3.92Å; V120-A145 HydrophobicContact CG1-CB 4.36Å; V120-K146 WeakPolarHBondContact CG2-O 3.22Å; V120-K146 PolarHBondContact N-O 3Å; V120-T147 HydrophobicContact CG2-CG2 4.28Å; V120-A148 PolarHBondContact O-N 3.07Å
121L98.9Very high97.4Very high0 Ų042.4 Ų42.40%021%0.211CC..EExtended strand (participates in β ladder)trans-104.4119.3159.7172.761.2000108F46 I51 K53 I54 L55 F72 I123 G149F46-L121 HydrophobicContact CB-CD2 4.08Å; F46-L121 HydrophobicContact CD1-CD1 4.01Å; F46-L121 HydrophobicContact CD2-CD1 4.04Å; F46-L121 HydrophobicContact CD2-CD2 4.03Å; F46-L121 HydrophobicContact CE1-CD1 4.01Å; F46-L121 HydrophobicContact CE2-CD1 4.04Å; F46-L121 HydrophobicContact CG-CD1 4.04Å; F46-L121 HydrophobicContact CG-CD2 4.08Å; F46-L121 HydrophobicContact CZ-CD1 4.02Å; I51-L121 HydrophobicContact CD1-CB 3.92Å; I51-L121 HydrophobicContact CG1-CB 4.34Å; I51-L121 HydrophobicContact CG2-CB 4.08Å; K53-L121 PolarHBondContact O-N 3.34Å; K53-L121 VanDerWaalsContact O-N 3.07Å; I54-L121 WeakPolarHBondContact CA-O 3.48Å; I54-L121 HydrophobicContact CD1-CB 3.78Å; I54-L121 HydrophobicContact CD1-CD2 3.95Å; I54-L121 HydrophobicContact CD1-CG 4.15Å; L55-L121 PolarHBondContact N-O 3.19Å; F72-L121 HydrophobicContact CE2-CD2 3.8Å; F72-L121 HydrophobicContact CZ-CD2 4.05Å; L121-I123 HydrophobicContact CD1-CD1 4.25Å; L121-I123 HydrophobicContact CD2-CD1 3.9Å; L121-I123 HydrophobicContact CD2-CG1 4.47Å; L121-I123 HydrophobicContact CG-CD1 3.78Å; L121-I123 HydrophobicContact CG-CG1 4.19Å; L121-G149 WeakPolarHBondContact CD1-O 3.42Å
122I98.9Very high97.4Very high0 Ų038.6 Ų38.60%020%0.199CC..EExtended strand (participates in β ladder)trans-83127.1176.9-64.8167.9000108.4L55 V120 L136 T147 G149 I150 G151L55-I122 HydrophobicContact CB-CG1 4.25Å; L55-I122 HydrophobicContact CD2-CG1 4.29Å; L55-I122 CarbonylContact O-C 3.59Å; L55-I122 WeakPolarHBondContact O-CA 3.44Å; V120-I122 HydrophobicContact CG2-CG1 4.45Å; I122-L136 HydrophobicContact CD1-CB 3.93Å; I122-L136 HydrophobicContact CG1-CB 4.33Å; I122-L136 HydrophobicContact CG2-CB 4.04Å; I122-L136 HydrophobicContact CG2-CD1 3.68Å; I122-T147 HydrophobicContact CD1-CG2 3.97Å; I122-T147 HydrophobicContact CG1-CG2 4.43Å; I122-G149 PolarHBondContact N-O 3.34Å; I122-G149 VanDerWaalsContact N-O 3.1Å; I122-I150 HydrophobicContact CB-CD1 4.39Å; I122-I150 HydrophobicContact CB-CG1 4.16Å; I122-I150 HydrophobicContact CB-CG2 4.43Å; I122-I150 HydrophobicContact CD1-CD1 4.18Å; I122-I150 HydrophobicContact CD1-CG1 4.47Å; I122-I150 HydrophobicContact CG2-CD1 4.47Å; I122-I150 HydrophobicContact CG2-CG2 4.28Å; I122-I150 CarbonylContact O-C 3.58Å; I122-I150 VanDerWaalsContact O-CA 3.31Å; I122-I150 WeakPolarHBondContact O-CA 3.31Å; I122-G151 PolarHBondContact O-N 3.05Å
123I98.9Very high97.6Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-119.3131.8176.1-60.7-61.8000109.7F42 I54 L55 T56 P64 A65 A68 L121 G151F42-I123 HydrophobicContact CB-CD1 4.35Å; F42-I123 HydrophobicContact CD1-CD1 4.24Å; F42-I123 HydrophobicContact CD2-CD1 3.66Å; F42-I123 HydrophobicContact CE1-CD1 4.47Å; F42-I123 HydrophobicContact CE2-CD1 3.89Å; F42-I123 HydrophobicContact CE2-CG2 4.2Å; F42-I123 HydrophobicContact CG-CD1 3.84Å; F42-I123 HydrophobicContact CZ-CD1 4.3Å; I54-I123 HydrophobicContact CG2-CB 4.13Å; I54-I123 HydrophobicContact CG2-CG1 3.74Å; L55-I123 PolarHBondContact O-N 2.59Å; T56-I123 WeakPolarHBondContact CA-O 3.39Å; T56-I123 WeakPolarHBondContact CB-O 3.46Å; T56-I123 PolarHBondContact OG1-O 2.92Å; P64-I123 HydrophobicContact CB-CG2 4.07Å; P64-I123 HydrophobicContact CG-CG2 4.24Å; A65-I123 HydrophobicContact CB-CB 4.02Å; A65-I123 HydrophobicContact CB-CG2 4.09Å; A68-I123 HydrophobicContact CB-CG1 4.38Å; L121-I123 HydrophobicContact CD1-CD1 4.25Å; L121-I123 HydrophobicContact CD2-CD1 3.9Å; L121-I123 HydrophobicContact CD2-CG1 4.47Å; L121-I123 HydrophobicContact CG-CD1 3.78Å; L121-I123 HydrophobicContact CG-CG1 4.19Å; I123-G151 VanDerWaalsContact CA-O 3.31Å; I123-G151 WeakPolarHBondContact CA-O 3.17Å
124D98.1Very high97.6Very high5 Ų529.2 Ų29.23%0.02716%0.158CC..EExtended strand (participates in β ladder)trans-138.7157.3175-149.21.3000112.6G151 I152 V153D124-G151 PolarHBondContact N-O 3.24Å; D124-I152 HydrophobicContact CB-CD1 3.9Å; D124-V153 PolarHBondContact O-N 3.29Å; D124-V153 VanDerWaalsContact O-N 3.12Å
125D97.8Very high97.6Very high21 Ų2129.3 Ų29.311%0.11216%0.16CC..EExtended strand (participates in β ladder)trans-73.5-44.6-178.371.5-42.1000111.8L26 N27 S60 V153 V154L26-D125 HydrophobicContact CD1-CB 4.33Å; L26-D125 HydrophobicContact CD2-CB 4.07Å; L26-D125 HydrophobicContact CG-CB 4.25Å; N27-D125 PolarHBondContact ND2-OD2 3.36Å; S60-D125 WeakPolarHBondContact CB-OD2 3.46Å; D125-V153 WeakPolarHBondContact O-CB 3.45Å; D125-V154 PolarHBondContact O-N 3.07Å
126F97.1Very high97.6Very high35 Ų3527 Ų2715%0.15414%0.144CC..EExtended strand (participates in β ladder)trans-130136.4-178.3-90.3-91.6000113.8L20 V22 L26 V154L20-F126 HydrophobicContact CD2-CE1 4.19Å; L20-F126 HydrophobicContact CD2-CZ 4.27Å; L20-F126 HydrophobicContact CG-CZ 4.37Å; V22-F126 HydrophobicContact CG2-CE2 3.52Å; V22-F126 HydrophobicContact CG2-CZ 3.7Å; L26-F126 HydrophobicContact CD2-CD2 4.49Å; L26-F126 HydrophobicContact CD2-CE2 4.11Å; F126-V154 CarbonylContact C-O 3.49Å; F126-V154 VanDerWaalsContact CA-O 3.23Å; F126-V154 WeakPolarHBondContact CA-O 3.39Å; F126-V154 HydrophobicContact CD1-CB 3.9Å; F126-V154 HydrophobicContact CD1-CG1 4.03Å; F126-V154 HydrophobicContact CE1-CB 3.64Å; F126-V154 HydrophobicContact CE1-CG1 3.46Å; F126-V154 VanDerWaalsContact CE1-CG1 3.46Å; F126-V154 HydrophobicContact CE1-CG2 4.47Å; F126-V154 HydrophobicContact CE2-CB 4.34Å; F126-V154 HydrophobicContact CG-CB 4.38Å; F126-V154 HydrophobicContact CZ-CB 3.88Å; F126-V154 HydrophobicContact CZ-CG1 3.96Å; F126-V154 HydrophobicContact CZ-CG2 4.23Å
127L97Very high97.6Very high1 Ų122.5 Ų22.51%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-103.3115.8161.4-175.357.4000110.3I152 V154 E155 K156 H162 L165 V172L127-I152 HydrophobicContact CB-CB 4.29Å; L127-I152 HydrophobicContact CB-CD1 3.99Å; L127-I152 HydrophobicContact CB-CG1 3.89Å; L127-I152 HydrophobicContact CB-CG2 3.53Å; L127-I152 HydrophobicContact CD2-CG1 4.14Å; L127-V154 PolarHBondContact N-O 2.77Å; L127-E155 HydrophobicContact CB-CB 4.24Å; L127-E155 HydrophobicContact CB-CG 4.15Å; L127-E155 HydrophobicContact CD2-CG 4.07Å; L127-E155 HydrophobicContact CG-CG 4.31Å; L127-K156 PolarHBondContact O-N 3.3Å; L127-H162 HydrophobicContact CD2-CB 4.04Å; L127-L165 HydrophobicContact CD1-CD1 3.75Å; L127-L165 HydrophobicContact CD2-CD1 3.91Å; L127-V172 HydrophobicContact CD2-CG1 4.17Å
128A94.2Very high97.6Very high28 Ų2817.2 Ų17.223%0.23110%0.098CC..SBendtrans-116.9-96.3175.400000109.9Q159 G161A128-Q159 VanDerWaalsContact CB-OE1 3.22Å; A128-Q159 WeakPolarHBondContact O-CB 3Å; A128-G161 WeakPolarHBondContact O-CA 3.49Å; A128-G161 PolarHBondContact O-N 2.94Å
129N94.7Very high97.6Very high30 Ų3016.6 Ų16.616%0.1610%0.095CC..SBendtrans-86.4-10.1175.5-67.8-9.2000112.9F99 D131 Q159 G161 R164F99-N129 HydrophobicContact CD2-CB 4.07Å; F99-N129 WeakPolarHBondContact CD2-ND2 3.41Å; F99-N129 HydrophobicContact CE2-CB 4.14Å; F99-N129 WeakPolarHBondContact CE2-ND2 3.33Å; F99-N129 WeakPolarHBondContact CG-ND2 3.16Å; N129-D131 WeakPolarHBondContact CB-OD2 3.43Å; N129-Q159 PolarHBondContact OD1-NE2 3.17Å; N129-G161 VanDerWaalsContact C-CA 3.41Å; N129-G161 WeakPolarHBondContact O-CA 3.41Å; N129-R164 WeakPolarHBondContact O-CD 3.13Å; N129-R164 PolarHBondContact O-NH1 2.85Å
130G96Very high97.6Very high5 Ų515.6 Ų15.65%0.0529%0.088CC..SBendtrans86.9-3.2175.100000116.1A132 S133 L134G130-A132 VanDerWaalsContact C-N 3.3Å; G130-A132 PolarHBondContact O-N 2.8Å; G130-S133 PolarHBondContact O-N 2.51Å; G130-L134 WeakPolarHBondContact O-CB 3.49Å; G130-L134 WeakPolarHBondContact O-CG 3.29Å; G130-L134 PolarHBondContact O-N 3.46Å
131D96.4Very high97.6Very high31 Ų3120 Ų2017%0.16611%0.109CC..Hα-helixtrans-62.6-33.1-174.7-55.1-83.7000113.7I96 F99 N129 G135 R164I96-D131 HydrophobicContact CG2-CB 4.14Å; F99-D131 VanDerWaalsContact CE2-OD2 3.27Å; F99-D131 WeakPolarHBondContact CE2-OD2 3.23Å; N129-D131 WeakPolarHBondContact CB-OD2 3.43Å; D131-G135 PolarHBondContact O-N 3.2Å; D131-R164 VanDerWaalsContact CG-NH1 3.35Å; D131-R164 IonicContact OD1-CZ 3.53Å; D131-R164 IonicContact OD1-NH1 2.71Å; D131-R164 PolarHBondContact OD1-NH1 3.04Å; D131-R164 IonicContact OD1-NH2 3.86Å; D131-R164 PolarHBondContact OD1-NH2 2.96Å; D131-R164 IonicContact OD2-NH1 3.65Å; D131-R164 PolarHBondContact OD2-NH1 3.48Å
132A96.1Very high97.6Very high26 Ų2623.4 Ų23.422%0.21513%0.125CC..Hα-helixtrans-66.3-51175.300000111.4I96 G130 L134 G135 L136I96-A132 HydrophobicContact CG2-CB 4.31Å; G130-A132 VanDerWaalsContact C-N 3.3Å; G130-A132 PolarHBondContact O-N 2.8Å; A132-L134 PolarHBondContact O-N 3.23Å; A132-G135 PolarHBondContact O-N 2.86Å; A132-L136 WeakPolarHBondContact O-CG 3.45Å; A132-L136 PolarHBondContact O-N 3.4Å
133S97.8Very high97.6Very high1 Ų123.5 Ų23.51%0.00713%0.126CC..Hα-helixtrans-61.8-41.3178.1-48.80000112.3G130 L136 Y137G130-S133 PolarHBondContact O-N 2.51Å; S133-L136 PolarHBondContact O-N 2.87Å; S133-Y137 WeakPolarHBondContact O-CB 3.21Å; S133-Y137 PolarHBondContact O-N 2.95Å
134L98.1Very high97.5Very high37 Ų3729.1 Ų29.119%0.19416%0.156CC..Hα-helixtrans-65.8-38.3174.1-74.7170.4000112.4G130 A132 Y137 D138 R164 L165 A168G130-L134 WeakPolarHBondContact O-CB 3.49Å; G130-L134 WeakPolarHBondContact O-CG 3.29Å; G130-L134 PolarHBondContact O-N 3.46Å; A132-L134 PolarHBondContact O-N 3.23Å; L134-Y137 WeakPolarHBondContact O-CB 3.34Å; L134-Y137 PolarHBondContact O-N 3.43Å; L134-D138 WeakPolarHBondContact O-CB 3.46Å; L134-D138 PolarHBondContact O-N 2.93Å; L134-R164 HydrophobicContact CD1-CB 4.35Å; L134-L165 HydrophobicContact CD2-CD2 3.69Å; L134-L165 HydrophobicContact CG-CD2 3.7Å; L134-A168 HydrophobicContact CD2-CB 4.05Å
135G97.9Very high97.6Very high5 Ų529.3 Ų29.35%0.05216%0.158CC..Hα-helixtrans-64.8-41.4174.400000112.4T94 D131 A132 Y137 D138 I139T94-G135 WeakPolarHBondContact CG2-O 3.42Å; D131-G135 PolarHBondContact O-N 3.2Å; A132-G135 PolarHBondContact O-N 2.86Å; G135-Y137 VanDerWaalsContact C-N 3.31Å; G135-Y137 PolarHBondContact O-N 2.71Å; G135-D138 PolarHBondContact O-N 2.79Å; G135-I139 PolarHBondContact O-N 2.95Å
136L98.6Very high97.6Very high0 Ų034.6 Ų34.60%018%0.18CC..Hα-helixtrans-65.8-35.8174.1-67-178.4000112.1L55 I57 A79 I122 A132 S133 I139 A140L55-L136 HydrophobicContact CD1-CD2 4.49Å; L55-L136 HydrophobicContact CD2-CB 4.21Å; L55-L136 HydrophobicContact CD2-CD2 4.49Å; L55-L136 HydrophobicContact CG-CD2 4.31Å; I57-L136 HydrophobicContact CB-CD1 4.13Å; I57-L136 HydrophobicContact CB-CD2 4.28Å; I57-L136 HydrophobicContact CG2-CD1 4.34Å; A79-L136 HydrophobicContact CB-CD2 3.63Å; I122-L136 HydrophobicContact CD1-CB 3.93Å; I122-L136 HydrophobicContact CG1-CB 4.33Å; I122-L136 HydrophobicContact CG2-CB 4.04Å; I122-L136 HydrophobicContact CG2-CD1 3.68Å; A132-L136 WeakPolarHBondContact O-CG 3.45Å; A132-L136 PolarHBondContact O-N 3.4Å; S133-L136 PolarHBondContact O-N 2.87Å; L136-I139 PolarHBondContact O-N 3.12Å; L136-A140 PolarHBondContact O-N 2.95Å
137Y98.6Very high97.7Very high47 Ų4734.1 Ų34.118%0.18418%0.18CC..Hα-helixtrans-63.3-45.5172.2176.4-130.6000111.8S133 L134 G135 I139 A140 Q141 T147 A168 L170S133-Y137 WeakPolarHBondContact O-CB 3.21Å; S133-Y137 PolarHBondContact O-N 2.95Å; L134-Y137 WeakPolarHBondContact O-CB 3.34Å; L134-Y137 PolarHBondContact O-N 3.43Å; G135-Y137 VanDerWaalsContact C-N 3.31Å; G135-Y137 PolarHBondContact O-N 2.71Å; Y137-I139 VanDerWaalsContact C-N 3.34Å; Y137-I139 PolarHBondContact O-N 2.89Å; Y137-A140 WeakPolarHBondContact O-CB 3.42Å; Y137-A140 PolarHBondContact O-N 2.96Å; Y137-A140 VanDerWaalsContact O-N 3.09Å; Y137-Q141 HydrophobicContact CD2-CG 4.11Å; Y137-Q141 HydrophobicContact CE1-CG 4.43Å; Y137-Q141 HydrophobicContact CE2-CG 3.75Å; Y137-Q141 VanDerWaalsContact CZ-NE2 3.28Å; Y137-Q141 WeakPolarHBondContact O-CG 3.45Å; Y137-Q141 PolarHBondContact O-N 3.32Å; Y137-Q141 PolarHBondContact OH-NE2 3.32Å; Y137-Q141 VanDerWaalsContact OH-NE2 3.1Å; Y137-T147 HydrophobicContact CD2-CG2 4.18Å; Y137-T147 WeakPolarHBondContact CD2-OG1 3.18Å; Y137-A168 HydrophobicContact CE1-CB 4.37Å; Y137-L170 HydrophobicContact CD1-CD1 3.82Å; Y137-L170 HydrophobicContact CD1-CD2 4.35Å; Y137-L170 HydrophobicContact CD1-CG 4.42Å; Y137-L170 HydrophobicContact CD2-CD1 4.46Å; Y137-L170 HydrophobicContact CD2-CD2 3.71Å; Y137-L170 HydrophobicContact CE1-CD1 4.19Å; Y137-L170 HydrophobicContact CE1-CD2 4.27Å; Y137-L170 HydrophobicContact CE1-CG 4.35Å; Y137-L170 HydrophobicContact CE2-CD2 3.66Å; Y137-L170 HydrophobicContact CG-CD1 3.94Å; Y137-L170 HydrophobicContact CG-CD2 4.05Å
138D98.6Very high97.8Very high55 Ų5534.8 Ų34.829%0.29419%0.186SC..Hα-helixtrans-58-44.2174.4173.363000111.8T94 L134 G135 A140 Q141 Q142T94-D138 WeakPolarHBondContact CB-OD2 3.02Å; T94-D138 PolarHBondContact OG1-OD2 3.44Å; L134-D138 WeakPolarHBondContact O-CB 3.46Å; L134-D138 PolarHBondContact O-N 2.93Å; G135-D138 PolarHBondContact O-N 2.79Å; D138-A140 VanDerWaalsContact C-N 3.33Å; D138-A140 PolarHBondContact O-N 3.44Å; D138-Q141 PolarHBondContact O-N 2.89Å; D138-Q142 WeakPolarHBondContact O-CG 3.27Å; D138-Q142 PolarHBondContact O-N 3.08Å; D138-Q142 PolarHBondContact OD2-NE2 2.9Å
139I98.5Very high98Very high0 Ų033.5 Ų33.50%018%0.175CC..Hα-helixtrans-58.6-43.3173.3-75.4176.7000111.7T94 V107 V109 L114 G135 L136 Y137 Q141 Q142 A143T94-I139 HydrophobicContact CG2-CD1 3.9Å; T94-I139 HydrophobicContact CG2-CG1 3.97Å; V107-I139 HydrophobicContact CG1-CD1 4.11Å; V109-I139 HydrophobicContact CB-CG2 3.87Å; V109-I139 HydrophobicContact CG1-CG2 4.46Å; V109-I139 HydrophobicContact CG2-CD1 4.15Å; V109-I139 HydrophobicContact CG2-CG2 3.86Å; L114-I139 HydrophobicContact CD2-CG2 3.91Å; G135-I139 PolarHBondContact O-N 2.95Å; L136-I139 PolarHBondContact O-N 3.12Å; Y137-I139 VanDerWaalsContact C-N 3.34Å; Y137-I139 PolarHBondContact O-N 2.89Å; I139-Q141 VanDerWaalsContact C-N 3.34Å; I139-Q142 PolarHBondContact O-N 3.29Å; I139-A143 PolarHBondContact O-N 3.12Å
140A98.7Very high98.2Very high0 Ų032.1 Ų32.10%017%0.168CC..Hα-helixtrans-63.4-40.7176.700000111.9V120 L136 Y137 D138 A143 N144 A145V120-A140 HydrophobicContact CG2-CB 3.92Å; L136-A140 PolarHBondContact O-N 2.95Å; Y137-A140 WeakPolarHBondContact O-CB 3.42Å; Y137-A140 PolarHBondContact O-N 2.96Å; Y137-A140 VanDerWaalsContact O-N 3.09Å; D138-A140 VanDerWaalsContact C-N 3.33Å; D138-A140 PolarHBondContact O-N 3.44Å; A140-A143 PolarHBondContact O-N 2.92Å; A140-N144 PolarHBondContact O-N 3.06Å; A140-A145 HydrophobicContact CB-CB 4.45Å; A140-A145 PolarHBondContact O-N 2.64Å
141Q98.6Very high98.3Very high93 Ų9331.9 Ų31.944%0.43517%0.165SC..Hα-helixtrans-64.5-41175.4-69.4-172.8-51.900112.4Y137 D138 I139 A143 N144Y137-Q141 HydrophobicContact CD2-CG 4.11Å; Y137-Q141 HydrophobicContact CE1-CG 4.43Å; Y137-Q141 HydrophobicContact CE2-CG 3.75Å; Y137-Q141 VanDerWaalsContact CZ-NE2 3.28Å; Y137-Q141 WeakPolarHBondContact O-CG 3.45Å; Y137-Q141 PolarHBondContact O-N 3.32Å; Y137-Q141 PolarHBondContact OH-NE2 3.32Å; Y137-Q141 VanDerWaalsContact OH-NE2 3.1Å; D138-Q141 PolarHBondContact O-N 2.89Å; I139-Q141 VanDerWaalsContact C-N 3.34Å; Q141-A143 PolarHBondContact O-N 3.04Å; Q141-N144 WeakPolarHBondContact O-CA 3.27Å; Q141-N144 PolarHBondContact O-N 2.92Å
142Q98.6Very high98.4Very high71 Ų7130.4 Ų30.433%0.33216%0.157SC..Hα-helixtrans-60.5-29.7175.3-68.7175.143.600112.6Y92 E93 D138 I139 N144Y92-Q142 HydrophobicContact CD1-CB 3.51Å; Y92-Q142 HydrophobicContact CE1-CB 4.07Å; Y92-Q142 WeakPolarHBondContact CE1-O 3.17Å; Y92-Q142 HydrophobicContact CG-CB 4.17Å; E93-Q142 PolarHBondContact O-NE2 3.49Å; E93-Q142 PolarHBondContact O-OE1 3.29Å; D138-Q142 WeakPolarHBondContact O-CG 3.27Å; D138-Q142 PolarHBondContact O-N 3.08Å; D138-Q142 PolarHBondContact OD2-NE2 2.9Å; I139-Q142 PolarHBondContact O-N 3.29Å; Q142-N144 VanDerWaalsContact C-N 3.29Å
143A98.4Very high98.5Very high3 Ų329.1 Ų29.13%0.02515%0.147CC..THydrogen-bonded Turntrans-82.6-3.3173.900000114.1Y92 L114 S115 E116 I139 A140 Q141 A145Y92-A143 HydrophobicContact CD2-CB 4.09Å; Y92-A143 HydrophobicContact CE1-CB 4.23Å; Y92-A143 HydrophobicContact CE2-CB 3.48Å; Y92-A143 VanDerWaalsContact CE2-CB 3.48Å; Y92-A143 VanDerWaalsContact CZ-CA 3.47Å; Y92-A143 WeakPolarHBondContact OH-CA 3.33Å; L114-A143 HydrophobicContact CB-CB 4.3Å; L114-A143 HydrophobicContact CD2-CB 3.68Å; L114-A143 HydrophobicContact CG-CB 3.57Å; S115-A143 CarbonylContact C-O 3.5Å; E116-A143 WeakPolarHBondContact CA-O 3.48Å; E116-A143 PolarHBondContact N-O 2.95Å; I139-A143 PolarHBondContact O-N 3.12Å; A140-A143 PolarHBondContact O-N 2.92Å; Q141-A143 PolarHBondContact O-N 3.04Å; A143-A145 HydrophobicContact CB-CB 4.3Å; A143-A145 PolarHBondContact O-N 2.98Å
144N98.6Very high98.6Very high118 Ų11829.1 Ų29.163%0.63115%0.147SC*.THydrogen-bonded Turntrans55.122.3-166.4-55.5-57.5000113.5E116 A140 Q141 Q142E116-N144 HydrophobicContact CB-CB 3.9Å; A140-N144 PolarHBondContact O-N 3.06Å; Q141-N144 WeakPolarHBondContact O-CA 3.27Å; Q141-N144 PolarHBondContact O-N 2.92Å; Q142-N144 VanDerWaalsContact C-N 3.29Å
145A98.8Very high98.5Very high9 Ų927.7 Ų27.77%0.07414%0.139CC..  trans-74.9146.7176.100000110.2L114 S115 D118 V120 A140 A143L114-A145 HydrophobicContact CD1-CB 4.07Å; L114-A145 HydrophobicContact CG-CB 4.4Å; S115-A145 WeakPolarHBondContact O-CB 3.47Å; D118-A145 HydrophobicContact CB-CB 4.09Å; V120-A145 HydrophobicContact CG1-CB 4.36Å; A140-A145 HydrophobicContact CB-CB 4.45Å; A140-A145 PolarHBondContact O-N 2.64Å; A143-A145 HydrophobicContact CB-CB 4.3Å; A143-A145 PolarHBondContact O-N 2.98Å
146K98.7Very high98.5Very high131 Ų13128.5 Ų28.557%0.5714%0.141SC*.EExtended strand (participates in β ladder)trans-78.5134.8173.5-179.3-178177-171.50110D118 T119 V120D118-K146 PolarHBondContact O-N 3.05Å; T119-K146 CarbonylContact C-O 3.49Å; T119-K146 VanDerWaalsContact CA-O 3.32Å; T119-K146 WeakPolarHBondContact CA-O 3.43Å; T119-K146 HydrophobicContact CG2-CD 4.17Å; T119-K146 HydrophobicContact CG2-CG 4.4Å; V120-K146 WeakPolarHBondContact CG2-O 3.22Å; V120-K146 PolarHBondContact N-O 3Å
147T98.7Very high98.4Very high26 Ų2630.4 Ų30.416%0.1616%0.155CC..EExtended strand (participates in β ladder)trans-98115.7170.1-52.80000110.3V120 I122 Y137 L170V120-T147 HydrophobicContact CG2-CG2 4.28Å; I122-T147 HydrophobicContact CD1-CG2 3.97Å; I122-T147 HydrophobicContact CG1-CG2 4.43Å; Y137-T147 HydrophobicContact CD2-CG2 4.18Å; Y137-T147 WeakPolarHBondContact CD2-OG1 3.18Å; T147-L170 HydrophobicContact CG2-CD2 3.83Å
148A98.6Very high98.2Very high15 Ų1532.5 Ų32.512%0.12417%0.165CC..EExtended strand (participates in β ladder)trans-76.7-27178.700000113.2K49 I51 T119 V120K49-A148 HydrophobicContact CB-CB 4.05Å; I51-A148 HydrophobicContact CD1-CB 3.27Å; T119-A148 HydrophobicContact CG2-CB 3.82Å; V120-A148 PolarHBondContact O-N 3.07Å
149G98.6Very high98Very high1 Ų132.4 Ų32.41%0.0116%0.163CC..EExtended strand (participates in β ladder)trans162.3-174178.200000112L121 I122 T171L121-G149 WeakPolarHBondContact CD1-O 3.42Å; I122-G149 PolarHBondContact N-O 3.34Å; I122-G149 VanDerWaalsContact N-O 3.1Å; G149-T171 CarbonylContact C-O 3.5Å; G149-T171 WeakPolarHBondContact CA-O 3.4Å
150I98.8Very high97.9Very high0 Ų036.2 Ų36.20%018%0.183CC..EExtended strand (participates in β ladder)trans-127.2123.2178.6-53-154.5000109.1I122 I152 L165 L170 T171 V172 S173I122-I150 HydrophobicContact CB-CD1 4.39Å; I122-I150 HydrophobicContact CB-CG1 4.16Å; I122-I150 HydrophobicContact CB-CG2 4.43Å; I122-I150 HydrophobicContact CD1-CD1 4.18Å; I122-I150 HydrophobicContact CD1-CG1 4.47Å; I122-I150 HydrophobicContact CG2-CD1 4.47Å; I122-I150 HydrophobicContact CG2-CG2 4.28Å; I122-I150 CarbonylContact O-C 3.58Å; I122-I150 VanDerWaalsContact O-CA 3.31Å; I122-I150 WeakPolarHBondContact O-CA 3.31Å; I150-I152 HydrophobicContact CG2-CD1 3.7Å; I150-I152 HydrophobicContact CG2-CG1 4.02Å; I150-L165 HydrophobicContact CD1-CD1 4.15Å; I150-L165 HydrophobicContact CD1-CD2 3.89Å; I150-L165 HydrophobicContact CG2-CD1 4.47Å; I150-L170 HydrophobicContact CD1-CD1 3.88Å; I150-T171 PolarHBondContact N-O 2.79Å; I150-V172 CarbonylContact O-C 2.94Å; I150-V172 WeakPolarHBondContact O-CA 3.48Å; I150-S173 PolarHBondContact O-N 3.06Å
151G98.8Very high97.8Very high0 Ų036.2 Ų36.20%018%0.183CC..EExtended strand (participates in β ladder)trans-101.8126.5172.100000111.2F42 I122 I123 D124 S173F42-G151 VanDerWaalsContact CZ-C 3.47Å; I122-G151 PolarHBondContact O-N 3.05Å; I123-G151 VanDerWaalsContact CA-O 3.31Å; I123-G151 WeakPolarHBondContact CA-O 3.17Å; D124-G151 PolarHBondContact N-O 3.24Å; G151-S173 CarbonylContact C-O 3.56Å; G151-S173 WeakPolarHBondContact CA-O 3.46Å
152I98.8Very high97.8Very high0 Ų033.2 Ų33.20%017%0.169CC..EExtended strand (participates in β ladder)trans-121.4129.8-177.2-60.1-62.7000109.6D124 L127 I150 V154 E155 V172 S173 S174 L175D124-I152 HydrophobicContact CB-CD1 3.9Å; L127-I152 HydrophobicContact CB-CB 4.29Å; L127-I152 HydrophobicContact CB-CD1 3.99Å; L127-I152 HydrophobicContact CB-CG1 3.89Å; L127-I152 HydrophobicContact CB-CG2 3.53Å; L127-I152 HydrophobicContact CD2-CG1 4.14Å; I150-I152 HydrophobicContact CG2-CD1 3.7Å; I150-I152 HydrophobicContact CG2-CG1 4.02Å; I152-V154 WeakPolarHBondContact CG2-O 3.39Å; I152-E155 HydrophobicContact CG2-CB 4.26Å; I152-V172 HydrophobicContact CG1-CG1 4.38Å; I152-S173 PolarHBondContact N-O 3.06Å; I152-S174 WeakPolarHBondContact O-CA 3.35Å; I152-L175 PolarHBondContact O-N 2.85Å
153V98.7Very high97.8Very high0 Ų035.1 Ų35.10%018%0.178CC..EExtended strand (participates in β ladder)trans-69.7-57.6176.2-174.40000109.9L4 L26 V38 F42 P64 D124 D125 C176L4-V153 HydrophobicContact CD1-CG1 4.06Å; L4-V153 HydrophobicContact CD2-CG1 3.57Å; L4-V153 VanDerWaalsContact CD2-O 3.22Å; L4-V153 WeakPolarHBondContact CD2-O 3.32Å; L4-V153 HydrophobicContact CG-CG1 4.47Å; L26-V153 HydrophobicContact CD2-CB 4.42Å; L26-V153 HydrophobicContact CD2-CG1 4.08Å; V38-V153 HydrophobicContact CG1-CG2 3.82Å; V38-V153 HydrophobicContact CG2-CG1 4.29Å; F42-V153 HydrophobicContact CE2-CG2 4.42Å; P64-V153 HydrophobicContact CB-CG2 3.59Å; P64-V153 HydrophobicContact CG-CG2 3.75Å; D124-V153 PolarHBondContact O-N 3.29Å; D124-V153 VanDerWaalsContact O-N 3.12Å; D125-V153 WeakPolarHBondContact O-CB 3.45Å; V153-C176 PolarHBondContact O-N 2.92Å
154V98.3Very high97.7Very high0 Ų038.5 Ų38.50%019%0.19CC..EExtended strand (participates in β ladder)trans-124.2120.4178.6-172.40000111.4V8 L20 L26 D125 F126 L127 I152 C176 V178V8-V154 HydrophobicContact CG2-CG2 4.15Å; L20-V154 HydrophobicContact CD2-CG1 4.13Å; L26-V154 HydrophobicContact CD2-CG2 4.37Å; D125-V154 PolarHBondContact O-N 3.07Å; F126-V154 CarbonylContact C-O 3.49Å; F126-V154 VanDerWaalsContact CA-O 3.23Å; F126-V154 WeakPolarHBondContact CA-O 3.39Å; F126-V154 HydrophobicContact CD1-CB 3.9Å; F126-V154 HydrophobicContact CD1-CG1 4.03Å; F126-V154 HydrophobicContact CE1-CB 3.64Å; F126-V154 HydrophobicContact CE1-CG1 3.46Å; F126-V154 VanDerWaalsContact CE1-CG1 3.46Å; F126-V154 HydrophobicContact CE1-CG2 4.47Å; F126-V154 HydrophobicContact CE2-CB 4.34Å; F126-V154 HydrophobicContact CG-CB 4.38Å; F126-V154 HydrophobicContact CZ-CB 3.88Å; F126-V154 HydrophobicContact CZ-CG1 3.96Å; F126-V154 HydrophobicContact CZ-CG2 4.23Å; L127-V154 PolarHBondContact N-O 2.77Å; I152-V154 WeakPolarHBondContact CG2-O 3.39Å; V154-C176 CarbonylContact C-O 3.5Å; V154-C176 WeakPolarHBondContact CA-O 3.3Å; V154-C176 HydrophobicContact CG2-CB 4.43Å; V154-V178 HydrophobicContact CG1-CG2 3.9Å
155E98Very high97.7Very high7 Ų732.9 Ų32.93%0.03316%0.16CC..EExtended strand (participates in β ladder)trans-101.8134.5172.7178.4-173.9117.600110.5L127 I152 S157 H162 S174 C176 K177 V178L127-E155 HydrophobicContact CB-CB 4.24Å; L127-E155 HydrophobicContact CB-CG 4.15Å; L127-E155 HydrophobicContact CD2-CG 4.07Å; L127-E155 HydrophobicContact CG-CG 4.31Å; I152-E155 HydrophobicContact CG2-CB 4.26Å; E155-S157 PolarHBondContact O-N 3.2Å; E155-S157 WeakPolarHBondContact OE1-CB 3.39Å; E155-S157 PolarHBondContact OE1-OG 3.42Å; E155-H162 IonicContact OE1-CG 3.93Å; E155-H162 IonicContact OE1-ND1 3.86Å; E155-H162 IonicContact OE2-CE1 3.04Å; E155-H162 IonicContact OE2-CG 3.43Å; E155-H162 IonicContact OE2-ND1 2.85Å; E155-H162 PolarHBondContact OE2-ND1 2.8Å; E155-S174 WeakPolarHBondContact OE2-CB 3.28Å; E155-S174 PolarHBondContact OE2-OG 3.33Å; E155-C176 PolarHBondContact N-O 2.89Å; E155-K177 HydrophobicContact CB-CG 4.46Å; E155-V178 PolarHBondContact O-N 2.79Å
156K96.6Very high97.7Very high23 Ų2337.9 Ų37.910%0.118%0.182CC..EExtended strand (participates in β ladder)trans-91.590.8164.6-72-177.2-77.2162.60108.9L127 F158 Q159L127-K156 PolarHBondContact O-N 3.3Å; K156-F158 HydrophobicContact CB-CD1 4.26Å; K156-F158 HydrophobicContact CB-CE1 3.72Å; K156-F158 HydrophobicContact CB-CE2 4.28Å; K156-F158 HydrophobicContact CB-CZ 3.74Å; K156-F158 HydrophobicContact CD-CE1 4.27Å; K156-F158 HydrophobicContact CD-CE2 4.3Å; K156-F158 HydrophobicContact CD-CZ 3.63Å; K156-F158 HydrophobicContact CG-CE1 3.87Å; K156-F158 HydrophobicContact CG-CZ 3.75Å; K156-F158 PolarHBondContact O-N 2.94Å; K156-Q159 HydrophobicContact CB-CG 4.18Å; K156-Q159 WeakPolarHBondContact O-CB 3.48Å; K156-Q159 PolarHBondContact O-N 2.99Å
157S97.1Very high97.7Very high40 Ų4038.1 Ų38.128%0.2819%0.185SC..THydrogen-bonded Turntrans-69.6-14.1-171.9-55.80000113.6E155 Q159 V178E155-S157 PolarHBondContact O-N 3.2Å; E155-S157 WeakPolarHBondContact OE1-CB 3.39Å; E155-S157 PolarHBondContact OE1-OG 3.42Å; S157-Q159 PolarHBondContact O-N 2.95Å; S157-V178 PolarHBondContact N-O 2.93Å
158F94.4Very high97.6Very high91 Ų9138.7 Ų38.740%0.39919%0.192SC..THydrogen-bonded Turntrans-77-0.9168.157.3-89.5000113.9K156 V178 A179 L181K156-F158 HydrophobicContact CB-CD1 4.26Å; K156-F158 HydrophobicContact CB-CE1 3.72Å; K156-F158 HydrophobicContact CB-CE2 4.28Å; K156-F158 HydrophobicContact CB-CZ 3.74Å; K156-F158 HydrophobicContact CD-CE1 4.27Å; K156-F158 HydrophobicContact CD-CE2 4.3Å; K156-F158 HydrophobicContact CD-CZ 3.63Å; K156-F158 HydrophobicContact CG-CE1 3.87Å; K156-F158 HydrophobicContact CG-CZ 3.75Å; K156-F158 PolarHBondContact O-N 2.94Å; F158-V178 WeakPolarHBondContact CD1-O 3.16Å; F158-V178 HydrophobicContact CE1-CG1 4.07Å; F158-A179 WeakPolarHBondContact CB-O 2.99Å; F158-A179 VanDerWaalsContact CD1-O 3.31Å; F158-A179 WeakPolarHBondContact CD1-O 3.2Å; F158-L181 HydrophobicContact CE1-CD1 4.23Å; F158-L181 HydrophobicContact CE1-CG 3.91Å; F158-L181 HydrophobicContact CZ-CB 4.48Å; F158-L181 HydrophobicContact CZ-CD1 3.7Å; F158-L181 HydrophobicContact CZ-CG 3.83Å
159Q94.9Very high97.6Very high53 Ų5341.2 Ų41.225%0.24822%0.22CC..SBendtrans-110.4158.2172.7-56.7-164.7-88.200110.7A128 N129 K156 S157 G161A128-Q159 VanDerWaalsContact CB-OE1 3.22Å; A128-Q159 WeakPolarHBondContact O-CB 3Å; N129-Q159 PolarHBondContact OD1-NE2 3.17Å; K156-Q159 HydrophobicContact CB-CG 4.18Å; K156-Q159 WeakPolarHBondContact O-CB 3.48Å; K156-Q159 PolarHBondContact O-N 2.99Å; S157-Q159 PolarHBondContact O-N 2.95Å; Q159-G161 VanDerWaalsContact C-N 3.3Å; Q159-G161 PolarHBondContact O-N 2.71Å
160N95.2Very high97.5Very high80 Ų8041.8 Ų41.843%0.42822%0.223SC..THydrogen-bonded Turntrans-82.32.8-170.166.1-18.6000115.1H162 Q163 R164N160-H162 VanDerWaalsContact C-N 3.32Å; N160-H162 PolarHBondContact O-N 3.29Å; N160-Q163 PolarHBondContact O-N 3.48Å; N160-R164 WeakPolarHBondContact O-CG 3.48Å; N160-R164 PolarHBondContact O-N 2.89Å
161G97.2Very high97.5Very high0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-59.7-39.9-175.200000113.6A128 N129 Q159 R164 L165A128-G161 WeakPolarHBondContact O-CA 3.49Å; A128-G161 PolarHBondContact O-N 2.94Å; N129-G161 VanDerWaalsContact C-CA 3.41Å; N129-G161 WeakPolarHBondContact O-CA 3.41Å; Q159-G161 VanDerWaalsContact C-N 3.3Å; Q159-G161 PolarHBondContact O-N 2.71Å; G161-R164 PolarHBondContact O-N 3.26Å; G161-L165 WeakPolarHBondContact O-CG 3.27Å; G161-L165 PolarHBondContact O-N 2.61Å
162H98.2Very high97.5Very high30 Ų3047.1 Ų47.114%0.13926%0.255CS..Hα-helixtrans-60.8-53.5178-167.898.2000111.7L127 E155 N160 R164 L165 E166L127-H162 HydrophobicContact CD2-CB 4.04Å; E155-H162 IonicContact OE1-CG 3.93Å; E155-H162 IonicContact OE1-ND1 3.86Å; E155-H162 IonicContact OE2-CE1 3.04Å; E155-H162 IonicContact OE2-CG 3.43Å; E155-H162 IonicContact OE2-ND1 2.85Å; E155-H162 PolarHBondContact OE2-ND1 2.8Å; N160-H162 VanDerWaalsContact C-N 3.32Å; N160-H162 PolarHBondContact O-N 3.29Å; H162-R164 VanDerWaalsContact C-N 3.3Å; H162-R164 PolarHBondContact O-N 2.92Å; H162-L165 WeakPolarHBondContact O-CB 3.15Å; H162-L165 PolarHBondContact O-N 3.22Å; H162-E166 IonicContact CD2-OE1 2.64Å; H162-E166 IonicContact CD2-OE2 2.95Å; H162-E166 IonicContact NE2-OE1 3.44Å; H162-E166 PolarHBondContact NE2-OE1 2.92Å; H162-E166 IonicContact NE2-OE2 3.17Å; H162-E166 PolarHBondContact O-N 2.89Å
163Q98Very high97.5Very high111 Ų11148.1 Ų48.152%0.51926%0.262SS..Hα-helixtrans-57-43.9178.6-178.1-176.8-8.500111.6N160 L165 E166 E167N160-Q163 PolarHBondContact O-N 3.48Å; Q163-L165 PolarHBondContact O-N 2.96Å; Q163-E166 PolarHBondContact O-N 2.85Å; Q163-E167 HydrophobicContact CG-CG 4.28Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.33Å; Q163-E167 PolarHBondContact NE2-OE1 3.49Å; Q163-E167 WeakPolarHBondContact O-CB 3.45Å; Q163-E167 VanDerWaalsContact O-CG 3.3Å; Q163-E167 WeakPolarHBondContact O-CG 3.43Å; Q163-E167 PolarHBondContact O-N 2.8Å
164R98Very high97.5Very high73 Ų7348.9 Ų48.928%0.27527%0.267SS..Hα-helixtrans-59.4-35.1178-73.3175.967.1-170.33.9112.8N129 D131 L134 N160 G161 H162 A168N129-R164 WeakPolarHBondContact O-CD 3.13Å; N129-R164 PolarHBondContact O-NH1 2.85Å; D131-R164 VanDerWaalsContact CG-NH1 3.35Å; D131-R164 IonicContact OD1-CZ 3.53Å; D131-R164 IonicContact OD1-NH1 2.71Å; D131-R164 PolarHBondContact OD1-NH1 3.04Å; D131-R164 IonicContact OD1-NH2 3.86Å; D131-R164 PolarHBondContact OD1-NH2 2.96Å; D131-R164 IonicContact OD2-NH1 3.65Å; D131-R164 PolarHBondContact OD2-NH1 3.48Å; L134-R164 HydrophobicContact CD1-CB 4.35Å; N160-R164 WeakPolarHBondContact O-CG 3.48Å; N160-R164 PolarHBondContact O-N 2.89Å; G161-R164 PolarHBondContact O-N 3.26Å; H162-R164 VanDerWaalsContact C-N 3.3Å; H162-R164 PolarHBondContact O-N 2.92Å; R164-A168 PolarHBondContact O-N 3.25Å
165L98.4Very high97.5Very high0 Ų049.3 Ų49.30%027%0.27CS..Hα-helixtrans-73.9-42.3177.5-66.7176.1000111.5L127 L134 I150 G161 H162 Q163 A168 G169 L170 V172L127-L165 HydrophobicContact CD1-CD1 3.75Å; L127-L165 HydrophobicContact CD2-CD1 3.91Å; L134-L165 HydrophobicContact CD2-CD2 3.69Å; L134-L165 HydrophobicContact CG-CD2 3.7Å; I150-L165 HydrophobicContact CD1-CD1 4.15Å; I150-L165 HydrophobicContact CD1-CD2 3.89Å; I150-L165 HydrophobicContact CG2-CD1 4.47Å; G161-L165 WeakPolarHBondContact O-CG 3.27Å; G161-L165 PolarHBondContact O-N 2.61Å; H162-L165 WeakPolarHBondContact O-CB 3.15Å; H162-L165 PolarHBondContact O-N 3.22Å; Q163-L165 PolarHBondContact O-N 2.96Å; L165-A168 WeakPolarHBondContact O-CB 3.27Å; L165-A168 PolarHBondContact O-N 3.43Å; L165-A168 VanDerWaalsContact O-N 3.15Å; L165-G169 PolarHBondContact O-N 3.19Å; L165-L170 HydrophobicContact CB-CB 4.48Å; L165-L170 HydrophobicContact CB-CD1 4.33Å; L165-L170 HydrophobicContact CD2-CD1 3.77Å; L165-L170 VanDerWaalsContact O-CB 3.31Å; L165-L170 WeakPolarHBondContact O-CB 3.48Å; L165-L170 PolarHBondContact O-N 2.74Å; L165-L170 VanDerWaalsContact O-N 3.08Å; L165-V172 HydrophobicContact CB-CG2 3.52Å; L165-V172 HydrophobicContact CD1-CG1 4.39Å; L165-V172 HydrophobicContact CD1-CG2 3.92Å; L165-V172 HydrophobicContact CG-CG2 4.38Å
166E97.9Very high97.5Very high114 Ų11449.2 Ų49.253%0.53327%0.27SS..Hα-helixtrans-62.7-41.8174.9-68.3-171.2130.800111.9H162 Q163 A168 G169H162-E166 IonicContact CD2-OE1 2.64Å; H162-E166 IonicContact CD2-OE2 2.95Å; H162-E166 IonicContact NE2-OE1 3.44Å; H162-E166 PolarHBondContact NE2-OE1 2.92Å; H162-E166 IonicContact NE2-OE2 3.17Å; H162-E166 PolarHBondContact O-N 2.89Å; Q163-E166 PolarHBondContact O-N 2.85Å; E166-A168 PolarHBondContact O-N 2.72Å; E166-G169 WeakPolarHBondContact O-CA 3.32Å; E166-G169 PolarHBondContact O-N 3.1Å
167E98Very high97.5Very high136 Ų13652 Ų5264%0.63628%0.282SS*.Hα-helixtrans-61.7-28.8174.4-74.2173.3177.200112.6Q163 G169Q163-E167 HydrophobicContact CG-CG 4.28Å; Q163-E167 WeakPolarHBondContact CG-OE1 3.33Å; Q163-E167 PolarHBondContact NE2-OE1 3.49Å; Q163-E167 WeakPolarHBondContact O-CB 3.45Å; Q163-E167 VanDerWaalsContact O-CG 3.3Å; Q163-E167 WeakPolarHBondContact O-CG 3.43Å; Q163-E167 PolarHBondContact O-N 2.8Å; E167-G169 PolarHBondContact O-N 3.45Å
168A97.6Very high97.6Very high38 Ų3850.1 Ų50.131%0.31427%0.269SS..THydrogen-bonded Turntrans-79.42.8172.100000113.5L134 Y137 R164 L165 E166 L170L134-A168 HydrophobicContact CD2-CB 4.05Å; Y137-A168 HydrophobicContact CE1-CB 4.37Å; R164-A168 PolarHBondContact O-N 3.25Å; L165-A168 WeakPolarHBondContact O-CB 3.27Å; L165-A168 PolarHBondContact O-N 3.43Å; L165-A168 VanDerWaalsContact O-N 3.15Å; E166-A168 PolarHBondContact O-N 2.72Å; A168-L170 HydrophobicContact CB-CD1 4.08Å; A168-L170 HydrophobicContact CB-CG 4.4Å
169G97.7Very high97.7Very high68 Ų6846.3 Ų46.370%0.70125%0.254SS*.THydrogen-bonded Turntrans81.817.7178.800000114.4L165 E166 E167L165-G169 PolarHBondContact O-N 3.19Å; E166-G169 WeakPolarHBondContact O-CA 3.32Å; E166-G169 PolarHBondContact O-N 3.1Å; E167-G169 PolarHBondContact O-N 3.45Å
170L98Very high97.8Very high14 Ų1445.2 Ų45.27%0.07325%0.252CS..  trans-93.8138.5-175.1-61.9161.3000111.7Y137 T147 I150 L165 A168Y137-L170 HydrophobicContact CD1-CD1 3.82Å; Y137-L170 HydrophobicContact CD1-CD2 4.35Å; Y137-L170 HydrophobicContact CD1-CG 4.42Å; Y137-L170 HydrophobicContact CD2-CD1 4.46Å; Y137-L170 HydrophobicContact CD2-CD2 3.71Å; Y137-L170 HydrophobicContact CE1-CD1 4.19Å; Y137-L170 HydrophobicContact CE1-CD2 4.27Å; Y137-L170 HydrophobicContact CE1-CG 4.35Å; Y137-L170 HydrophobicContact CE2-CD2 3.66Å; Y137-L170 HydrophobicContact CG-CD1 3.94Å; Y137-L170 HydrophobicContact CG-CD2 4.05Å; T147-L170 HydrophobicContact CG2-CD2 3.83Å; I150-L170 HydrophobicContact CD1-CD1 3.88Å; L165-L170 HydrophobicContact CB-CB 4.48Å; L165-L170 HydrophobicContact CB-CD1 4.33Å; L165-L170 HydrophobicContact CD2-CD1 3.77Å; L165-L170 VanDerWaalsContact O-CB 3.31Å; L165-L170 WeakPolarHBondContact O-CB 3.48Å; L165-L170 PolarHBondContact O-N 2.74Å; L165-L170 VanDerWaalsContact O-N 3.08Å; A168-L170 HydrophobicContact CB-CD1 4.08Å; A168-L170 HydrophobicContact CB-CG 4.4Å
171T97.9Very high97.9Very high88 Ų8841.6 Ų41.654%0.5423%0.233SC..  trans-78.1122166.8-60.30000109.3F46 G149 I150F46-T171 HydrophobicContact CE1-CG2 4.44Å; G149-T171 CarbonylContact C-O 3.5Å; G149-T171 WeakPolarHBondContact CA-O 3.4Å; I150-T171 PolarHBondContact N-O 2.79Å
172V98.5Very high97.8Very high23 Ų2348.5 Ų48.514%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-113.5129.3-179.1-171.90000110.4L127 I150 I152 L165L127-V172 HydrophobicContact CD2-CG1 4.17Å; I150-V172 CarbonylContact O-C 2.94Å; I150-V172 WeakPolarHBondContact O-CA 3.48Å; I152-V172 HydrophobicContact CG1-CG1 4.38Å; L165-V172 HydrophobicContact CB-CG2 3.52Å; L165-V172 HydrophobicContact CD1-CG1 4.39Å; L165-V172 HydrophobicContact CD1-CG2 3.92Å; L165-V172 HydrophobicContact CG-CG2 4.38Å
173S98.4Very high97.7Very high21 Ų2149.7 Ų49.715%0.14729%0.285CS..EExtended strand (participates in β ladder)trans-121.3112.7172.4-176.50000110.7Q45 I150 G151 I152Q45-S173 VanDerWaalsContact CD-OG 3.27Å; Q45-S173 PolarHBondContact NE2-OG 2.82Å; Q45-S173 PolarHBondContact OE1-OG 3.17Å; I150-S173 PolarHBondContact O-N 3.06Å; G151-S173 CarbonylContact C-O 3.56Å; G151-S173 WeakPolarHBondContact CA-O 3.46Å; I152-S173 PolarHBondContact N-O 3.06Å
174S98.5Very high97.5Very high16 Ų1648.4 Ų48.411%0.11228%0.282CS..EExtended strand (participates in β ladder)trans-109.6123178.8-56.70000110.6I152 E155I152-S174 WeakPolarHBondContact O-CA 3.35Å; E155-S174 WeakPolarHBondContact OE2-CB 3.28Å; E155-S174 PolarHBondContact OE2-OG 3.33Å
175L98.5Very high97.4Very high9 Ų951.8 Ų51.85%0.04730%0.299CS..EExtended strand (participates in β ladder)trans-78.3-34.3-173-58.7-169.5000112.8M1 L4 V38 T41 F42 I152M1-L175 HydrophobicContact CB-CB 4.26Å; M1-L175 PolarHBondContact N-O 2.94Å; M1-L175 HydrophobicContact SD-CD1 4.32Å; L4-L175 HydrophobicContact CD2-CB 3.8Å; V38-L175 HydrophobicContact CB-CD1 4.11Å; V38-L175 HydrophobicContact CG1-CD1 3.78Å; V38-L175 HydrophobicContact CG2-CD1 4.04Å; T41-L175 HydrophobicContact CG2-CD1 4.35Å; T41-L175 HydrophobicContact CG2-CD2 3.6Å; F42-L175 HydrophobicContact CD1-CD1 4.47Å; F42-L175 HydrophobicContact CD1-CD2 4.14Å; F42-L175 HydrophobicContact CD1-CG 4.41Å; F42-L175 HydrophobicContact CD2-CD1 4.37Å; F42-L175 HydrophobicContact CE1-CD1 3.95Å; F42-L175 HydrophobicContact CE1-CD2 3.69Å; F42-L175 HydrophobicContact CE1-CG 3.62Å; F42-L175 HydrophobicContact CE2-CD1 3.87Å; F42-L175 HydrophobicContact CE2-CG 4.35Å; F42-L175 HydrophobicContact CZ-CD1 3.63Å; F42-L175 HydrophobicContact CZ-CD2 4.19Å; F42-L175 HydrophobicContact CZ-CG 3.59Å; I152-L175 PolarHBondContact O-N 2.85Å
176C98.2Very high97.3Very high5 Ų552.3 Ų52.33%0.03430%0.302CS..EExtended strand (participates in β ladder)trans-126.8121.4171.6-178.30000109.1L4 V153 V154 E155L4-C176 HydrophobicContact CD2-CB 3.6Å; L4-C176 HydrophobicContact CG-CB 3.77Å; V153-C176 PolarHBondContact O-N 2.92Å; V154-C176 CarbonylContact C-O 3.5Å; V154-C176 WeakPolarHBondContact CA-O 3.3Å; V154-C176 HydrophobicContact CG2-CB 4.43Å; E155-C176 PolarHBondContact N-O 2.89Å
177K98Very high97.3Very high83 Ų8348.6 Ų48.636%0.36129%0.287SS..EExtended strand (participates in β ladder)trans-109.4113.3179.3-65.8-170.5179.2-167.70109.2E155 L188 V189E155-K177 HydrophobicContact CB-CG 4.46Å; K177-L188 WeakPolarHBondContact O-CA 3.35Å; K177-V189 HydrophobicContact CB-CB 3.93Å; K177-V189 HydrophobicContact CB-CG2 3.6Å; K177-V189 PolarHBondContact O-N 2.8Å
178V97.7Very high97.3Very high0 Ų043.1 Ų43.10%026%0.262CS..EExtended strand (participates in β ladder)trans-92.3114.8178-178.30000108.5L20 V154 E155 S157 F158 S180 L181 V186 T187 L188L20-V178 HydrophobicContact CD2-CG2 4.04Å; V154-V178 HydrophobicContact CG1-CG2 3.9Å; E155-V178 PolarHBondContact O-N 2.79Å; S157-V178 PolarHBondContact N-O 2.93Å; F158-V178 WeakPolarHBondContact CD1-O 3.16Å; F158-V178 HydrophobicContact CE1-CG1 4.07Å; V178-S180 WeakPolarHBondContact CG1-O 3.49Å; V178-L181 HydrophobicContact CG1-CD2 3.78Å; V178-L181 HydrophobicContact CG1-CG 4.21Å; V178-V186 HydrophobicContact CG1-CG1 4.06Å; V178-V186 HydrophobicContact CG2-CG1 4.22Å; V178-T187 CarbonylContact C-O 3.56Å; V178-L188 HydrophobicContact CG2-CD2 4.12Å
179A97.1Very high97.2Very high10 Ų1044.8 Ų44.88%0.08327%0.268CS..EExtended strand (participates in β ladder)trans-77.7-40178.900000112.7F158 T187 V189 E192F158-A179 WeakPolarHBondContact CB-O 2.99Å; F158-A179 VanDerWaalsContact CD1-O 3.31Å; F158-A179 WeakPolarHBondContact CD1-O 3.2Å; A179-T187 PolarHBondContact N-O 3.01Å; A179-V189 HydrophobicContact CB-CG2 3.88Å; A179-E192 HydrophobicContact CB-CG 3.96Å; A179-E192 WeakPolarHBondContact CB-OE1 3.23Å
180S97Very high97Very high31 Ų3145.1 Ų45.122%0.21727%0.271CS..EExtended strand (participates in β ladder)trans-152.5154.7-178.9-1790000112.1V178 E182 T187V178-S180 WeakPolarHBondContact CG1-O 3.49Å; S180-E182 VanDerWaalsContact OG-CB 3.3Å; S180-E182 WeakPolarHBondContact OG-CB 3.27Å; S180-E182 PolarHBondContact OG-N 3.32Å; S180-T187 PolarHBondContact N-O 3.4Å; S180-T187 PolarHBondContact O-N 2.93Å
181L96.5Very high96.5Very high3 Ų349.1 Ų49.12%0.01629%0.29CS..  trans-119.19.5171.7-67.5-176.5000112.2V14 E17 L20 F158 V178 N184 K185 V186V14-L181 HydrophobicContact CG1-CB 3.81Å; V14-L181 HydrophobicContact CG1-CD1 4.35Å; V14-L181 HydrophobicContact CG1-CD2 4.16Å; V14-L181 HydrophobicContact CG1-CG 4.33Å; V14-L181 HydrophobicContact CG2-CD2 3.82Å; E17-L181 WeakPolarHBondContact CA-O 3.41Å; E17-L181 WeakPolarHBondContact O-CB 3.35Å; L20-L181 HydrophobicContact CB-CD1 4.03Å; L20-L181 HydrophobicContact CB-CD2 4.21Å; F158-L181 HydrophobicContact CE1-CD1 4.23Å; F158-L181 HydrophobicContact CE1-CG 3.91Å; F158-L181 HydrophobicContact CZ-CB 4.48Å; F158-L181 HydrophobicContact CZ-CD1 3.7Å; F158-L181 HydrophobicContact CZ-CG 3.83Å; V178-L181 HydrophobicContact CG1-CD2 3.78Å; V178-L181 HydrophobicContact CG1-CG 4.21Å; L181-N184 PolarHBondContact O-N 3.28Å; L181-K185 CarbonylContact C-O 3.59Å; L181-K185 VanDerWaalsContact CA-O 3.28Å; L181-K185 WeakPolarHBondContact CA-O 2.76Å; L181-V186 HydrophobicContact CD2-CG2 4.04Å
182E96Very high95.3Very high145 Ų14554.2 Ų54.268%0.67831%0.307SS*.G310 helixtrans-59.9144.5-178.3-171.2176.1-179.600112S180 N184 K185S180-E182 VanDerWaalsContact OG-CB 3.3Å; S180-E182 WeakPolarHBondContact OG-CB 3.27Å; S180-E182 PolarHBondContact OG-N 3.32Å; E182-N184 PolarHBondContact O-N 3.28Å; E182-K185 PolarHBondContact O-N 2.96Å
183G95.5Very high95.1Very high55 Ų5555.8 Ų55.857%0.56732%0.316SS*.G310 helixtrans6720-176.300000113.7E17 K185E17-G183 WeakPolarHBondContact OE1-CA 3.4Å; E17-G183 PolarHBondContact OE1-N 3.34Å; G183-K185 PolarHBondContact O-N 3.34Å
184N95Very high95Very high84 Ų8457.6 Ų57.645%0.44933%0.325SS..G310 helixtrans54.337.6-172.9-65.1-55.8000113.4V14 D16 E17 L181 E182V14-N184 HydrophobicContact CB-CB 4.14Å; V14-N184 HydrophobicContact CG1-CB 4.32Å; D16-N184 PolarHBondContact N-OD1 2.97Å; E17-N184 PolarHBondContact N-OD1 3.08Å; L181-N184 PolarHBondContact O-N 3.28Å; E182-N184 PolarHBondContact O-N 3.28Å
185K95.3Very high94.8Very high145 Ų14559.9 Ų59.963%0.6334%0.337SS*.  trans-127.6140.1178.2-175.7-177.8173.4-168.60110.4L181 E182 G183 T187L181-K185 CarbonylContact C-O 3.59Å; L181-K185 VanDerWaalsContact CA-O 3.28Å; L181-K185 WeakPolarHBondContact CA-O 2.76Å; E182-K185 PolarHBondContact O-N 2.96Å; G183-K185 PolarHBondContact O-N 3.34Å; K185-T187 PolarHBondContact O-N 3.1Å
186V97.1Very high94.5Very high10 Ų1062.9 Ų62.96%0.06135%0.354CS..  trans-76.2121.9171.1-177.90000109.8V8 K9 V14 L20 V178 L181 L188V8-V186 HydrophobicContact CG1-CG1 4.04Å; V8-V186 HydrophobicContact CG1-CG2 4.37Å; K9-V186 HydrophobicContact CG-CB 4.5Å; K9-V186 HydrophobicContact CG-CG1 4.44Å; V14-V186 HydrophobicContact CG2-CG2 3.74Å; L20-V186 HydrophobicContact CD1-CG2 3.73Å; V178-V186 HydrophobicContact CG1-CG1 4.06Å; V178-V186 HydrophobicContact CG2-CG1 4.22Å; L181-V186 HydrophobicContact CD2-CG2 4.04Å; V186-L188 HydrophobicContact CG1-CD2 3.77Å; V186-L188 HydrophobicContact CG1-CG 4.47Å
187T97.1Very high94.3Very high36 Ų3666.6 Ų66.622%0.22137%0.374CS..EExtended strand (participates in β ladder)trans-112.4124.3166.3-56.60000108.3V178 A179 S180 K185 E191 E192V178-T187 CarbonylContact C-O 3.56Å; A179-T187 PolarHBondContact N-O 3.01Å; S180-T187 PolarHBondContact N-O 3.4Å; S180-T187 PolarHBondContact O-N 2.93Å; K185-T187 PolarHBondContact O-N 3.1Å; T187-E191 HydrophobicContact CG2-CB 4.44Å; T187-E192 HydrophobicContact CG2-CG 4.25Å
188L97.3Very high94.1Very high21 Ų2165.5 Ų65.511%0.1137%0.374CS..EExtended strand (participates in β ladder)trans-87.6154178.4-56.1178.8000110.4K9 K177 V178 V186 G190 E191K9-L188 HydrophobicContact CD-CD1 4.25Å; K9-L188 HydrophobicContact CG-CD1 4.49Å; K177-L188 WeakPolarHBondContact O-CA 3.35Å; V178-L188 HydrophobicContact CG2-CD2 4.12Å; V186-L188 HydrophobicContact CG1-CD2 3.77Å; V186-L188 HydrophobicContact CG1-CG 4.47Å; L188-G190 PolarHBondContact O-N 3.21Å; L188-E191 HydrophobicContact CB-CG 4.24Å; L188-E191 PolarHBondContact N-OE2 3.12Å; L188-E191 WeakPolarHBondContact O-CB 3.42Å; L188-E191 PolarHBondContact O-N 3.43Å; L188-E191 VanDerWaalsContact O-N 3.08Å
189V95.9Very high93.8Very high74 Ų7470.1 Ų70.145%0.44840%0.401SS..THydrogen-bonded Turntrans-58.1128.4174.1174.50000109.7K177 A179K177-V189 HydrophobicContact CB-CB 3.93Å; K177-V189 HydrophobicContact CB-CG2 3.6Å; K177-V189 PolarHBondContact O-N 2.8Å; A179-V189 HydrophobicContact CB-CG2 3.88Å
190G92.6Very high93.5Very high74 Ų7474.8 Ų74.876%0.76343%0.426SS*.THydrogen-bonded Turntrans93.8-0.8-176.900000115L188L188-G190 PolarHBondContact O-N 3.21Å
191E88.7Confident93.3Very high98 Ų9878.4 Ų78.446%0.45844%0.443SS..  trans-109.210.8175.3-55.8-178.4152.100113.4K9 T187 L188K9-E191 WeakPolarHBondContact CE-OE1 3.41Å; K9-E191 WeakPolarHBondContact CE-OE2 3.25Å; K9-E191 IonicContact NZ-OE1 2.94Å; K9-E191 PolarHBondContact NZ-OE1 3.28Å; K9-E191 IonicContact NZ-OE2 2.61Å; K9-E191 PolarHBondContact NZ-OE2 3.45Å; T187-E191 HydrophobicContact CG2-CB 4.44Å; L188-E191 HydrophobicContact CB-CG 4.24Å; L188-E191 PolarHBondContact N-OE2 3.12Å; L188-E191 WeakPolarHBondContact O-CB 3.42Å; L188-E191 PolarHBondContact O-N 3.43Å; L188-E191 VanDerWaalsContact O-N 3.08Å
192E72.2Confident93Very high196 Ų19685.3 Ų85.392%0.91648%0.482SS*.  trans-78.30-174.9-41.7-169.4-131.700112.2A179 T187A179-E192 HydrophobicContact CB-CG 3.96Å; A179-E192 WeakPolarHBondContact CB-OE1 3.23Å; T187-E192 HydrophobicContact CG2-CG 4.25Å

Retrieved 192 of 192 residues in 1152.2 ms (Link to these results)

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