X5C456_CRIGR Loading...

DNA/RNA-binding protein KIN17

Involved in DNA replication and the cellular response to DNA damage. May participate in DNA replication factories and create a bridge between DNA replication and repair mediated by high molecular weight complexes. May play a role in illegitimate recombination and regulation of gene expression. May participate in mRNA processing. Binds, in vitro, to double-stranded DNA. Also shown to bind preferentially to curved DNA in vitro and in vivo. Binds via its C-terminal domain to RNA in vitro.

AlphaFold DB (G3GR62), UniProt , Accession X5C456, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene kin17, Length 392 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
1M42.4Very low61.1Low241 Ų241120.4 Ų120.4100%1.18766%0.658SS**  0115.60-70.5-62.1-167.500108.8
2G47.8Very low62.2Low82 Ų82116.3 Ų116.385%0.84563%0.634SS**PPolyproline II helixtrans-73.3137.3179.700000112.3S4G2-S4 PolarHBondContact O-N 2.56Å
3K50.5Low62.7Low205 Ų205110.5 Ų110.589%0.89161%0.612SS**PPolyproline II helixtrans-69.5122.3169-65.2175.9-178.6175.50107.7D5K3-D5 PolarHBondContact O-N 2.97Å
4S52.3Low63Low79 Ų79107.4 Ų107.455%0.55259%0.593SS**PPolyproline II helixtrans-78.1120.917859.30000110.6G2G2-S4 PolarHBondContact O-N 2.56Å
5D61.3Low63.3Low127 Ų127106.6 Ų106.668%0.67958%0.578SS**PPolyproline II helixtrans-56.2153.9-176.6-67-66.5000114.5K3 L7 S8 A11K3-D5 PolarHBondContact O-N 2.97Å; D5-L7 PolarHBondContact O-N 2.68Å; D5-S8 WeakPolarHBondContact O-CB 3.24Å; D5-S8 PolarHBondContact O-N 3.02Å; D5-A11 WeakPolarHBondContact O-CB 3.33Å
6F55.6Low63.3Low144 Ų144107 Ų10763%0.63258%0.578SS**THydrogen-bonded Turntrans-58-23.1-174.6-178-91.2000114.6R15F6-R15 VanDerWaalsContact CD2-NH2 3.34Å; F6-R15 PolarHBondContact O-NH2 3.14Å
7L66.9Low63.3Low134 Ų134108.6 Ų108.670%0.70258%0.578SS**THydrogen-bonded Turntrans-106.25.3176.8-64.595.4000113.8D5 I12D5-L7 PolarHBondContact O-N 2.68Å; L7-I12 VanDerWaalsContact O-CD1 3.22Å; L7-I12 WeakPolarHBondContact O-CD1 3.44Å
8S80.8Confident62.9Low36 Ų36105.1 Ų105.125%0.25256%0.564SS.*  trans-56.1138.6174.7177.10000110.6D5 K10 A11 I12D5-S8 WeakPolarHBondContact O-CB 3.24Å; D5-S8 PolarHBondContact O-N 3.02Å; S8-K10 PolarHBondContact O-N 2.84Å; S8-K10 PolarHBondContact OG-N 2.75Å; S8-A11 CarbonylContact O-C 3.59Å; S8-A11 WeakPolarHBondContact O-CA 3.03Å; S8-A11 WeakPolarHBondContact O-CB 3.41Å; S8-A11 PolarHBondContact O-N 3.13Å; S8-I12 PolarHBondContact O-N 3.06Å
9P72Confident62.6Low107 Ų107108.8 Ų108.870%0.69557%0.574SS**Hα-helixtrans-52.4-30.9174.4-29.136000113.4A13P9-A13 WeakPolarHBondContact O-CB 3.42Å; P9-A13 PolarHBondContact O-N 3.31Å
10K71.9Confident62Low151 Ų151105.6 Ų105.666%0.65757%0.568SS**Hα-helixtrans-69.9-39.4174.3-166.9172.4-176.5175.70112.3S8 N14S8-K10 PolarHBondContact O-N 2.84Å; S8-K10 PolarHBondContact OG-N 2.75Å; K10-N14 VanDerWaalsContact O-CB 3.26Å; K10-N14 WeakPolarHBondContact O-CB 3.3Å; K10-N14 PolarHBondContact O-N 3.24Å; K10-N14 PolarHBondContact O-ND2 3.16Å
11A71.1Confident61.4Low18 Ų18108 Ų10815%0.14958%0.58CS.*Hα-helixtrans-69.6-42.4174.500000111.7D5 S8 N14 R15D5-A11 WeakPolarHBondContact O-CB 3.33Å; S8-A11 CarbonylContact O-C 3.59Å; S8-A11 WeakPolarHBondContact O-CA 3.03Å; S8-A11 WeakPolarHBondContact O-CB 3.41Å; S8-A11 PolarHBondContact O-N 3.13Å; A11-N14 PolarHBondContact O-N 2.82Å; A11-R15 WeakPolarHBondContact O-CB 3.43Å; A11-R15 PolarHBondContact O-N 3.15Å
12I74Confident62Low71 Ų7199 Ų9936%0.36454%0.535SS..Hα-helixtrans-64.5-49.5176.4-65.1173.9000110.6L7 S8 N14 R15 I16L7-I12 VanDerWaalsContact O-CD1 3.22Å; L7-I12 WeakPolarHBondContact O-CD1 3.44Å; S8-I12 PolarHBondContact O-N 3.06Å; I12-N14 VanDerWaalsContact C-N 3.25Å; I12-N14 PolarHBondContact O-N 2.83Å; I12-R15 PolarHBondContact O-N 3.45Å; I12-R15 VanDerWaalsContact O-N 3.1Å; I12-I16 HydrophobicContact CG2-CD1 3.82Å; I12-I16 HydrophobicContact CG2-CG1 4.43Å; I12-I16 WeakPolarHBondContact O-CG1 3.32Å; I12-I16 PolarHBondContact O-N 3.11Å
13A68.5Low62.4Low42 Ų42104.5 Ų104.535%0.34754%0.536SS..Hα-helixtrans-60.9-34.6175.600000112.2P9 K17P9-A13 WeakPolarHBondContact O-CB 3.42Å; P9-A13 PolarHBondContact O-N 3.31Å; A13-K17 WeakPolarHBondContact O-CB 3.39Å; A13-K17 VanDerWaalsContact O-CG 3.26Å; A13-K17 WeakPolarHBondContact O-CG 3.33Å; A13-K17 PolarHBondContact O-N 3.17Å
14N66.8Low62.7Low66 Ų6698.4 Ų98.435%0.35351%0.513SS..Hα-helixtrans-66.7-41.8173.1-78-13.4000112.6K10 A11 I12 K17 S18 R36K10-N14 VanDerWaalsContact O-CB 3.26Å; K10-N14 WeakPolarHBondContact O-CB 3.3Å; K10-N14 PolarHBondContact O-N 3.24Å; K10-N14 PolarHBondContact O-ND2 3.16Å; A11-N14 PolarHBondContact O-N 2.82Å; I12-N14 VanDerWaalsContact C-N 3.25Å; I12-N14 PolarHBondContact O-N 2.83Å; N14-K17 PolarHBondContact O-N 2.81Å; N14-S18 PolarHBondContact O-N 2.9Å; N14-S18 PolarHBondContact O-OG 3.15Å; N14-R36 PolarHBondContact O-NH1 2.99Å; N14-R36 PolarHBondContact OD1-NH1 3.17Å; N14-R36 PolarHBondContact OD1-NH2 2.97Å
15R67.1Low63.4Low96 Ų96102.8 Ų102.836%0.36252%0.517SS..Hα-helixtrans-68.6-34.4177.5-167.8-178.2-61.3146.39112.8F6 A11 I12 S18 K19F6-R15 VanDerWaalsContact CD2-NH2 3.34Å; F6-R15 PolarHBondContact O-NH2 3.14Å; A11-R15 WeakPolarHBondContact O-CB 3.43Å; A11-R15 PolarHBondContact O-N 3.15Å; I12-R15 PolarHBondContact O-N 3.45Å; I12-R15 VanDerWaalsContact O-N 3.1Å; R15-S18 WeakPolarHBondContact CA-OG 3.39Å; R15-S18 PolarHBondContact O-OG 3.2Å; R15-S18 VanDerWaalsContact O-OG 3.11Å; R15-K19 WeakPolarHBondContact O-CG 3.37Å; R15-K19 PolarHBondContact O-N 2.9Å
16I64.3Low63.8Low113 Ų11398.9 Ų98.958%0.57949%0.493SS*.Hα-helixtrans-68.9-46.1172.5-68168.8000109.7I12 S18 K19I12-I16 HydrophobicContact CG2-CD1 3.82Å; I12-I16 HydrophobicContact CG2-CG1 4.43Å; I12-I16 WeakPolarHBondContact O-CG1 3.32Å; I12-I16 PolarHBondContact O-N 3.11Å; I16-S18 VanDerWaalsContact C-N 3.26Å; I16-S18 PolarHBondContact O-N 2.77Å; I16-K19 PolarHBondContact O-N 2.85Å
17K62.2Low64.7Low134 Ų13493.7 Ų93.758%0.58347%0.469SS*.Hα-helixtrans-62.3-30.6176.8-73.7176.1179.2-172.80113.1A13 N14 Q22A13-K17 WeakPolarHBondContact O-CB 3.39Å; A13-K17 VanDerWaalsContact O-CG 3.26Å; A13-K17 WeakPolarHBondContact O-CG 3.33Å; A13-K17 PolarHBondContact O-N 3.17Å; N14-K17 PolarHBondContact O-N 2.81Å; K17-Q22 PolarHBondContact O-NE2 2.87Å
18S57.1Low65.3Low45 Ų4587.7 Ų87.732%0.31544%0.439SS..THydrogen-bonded Turntrans-851.4174.468.50000115N14 R15 I16N14-S18 PolarHBondContact O-N 2.9Å; N14-S18 PolarHBondContact O-OG 3.15Å; R15-S18 WeakPolarHBondContact CA-OG 3.39Å; R15-S18 PolarHBondContact O-OG 3.2Å; R15-S18 VanDerWaalsContact O-OG 3.11Å; I16-S18 VanDerWaalsContact C-N 3.26Å; I16-S18 PolarHBondContact O-N 2.77Å
19K57.3Low64.9Low176 Ų17687.4 Ų87.477%0.76543%0.433SS*.THydrogen-bonded Turntrans-91.3-14.7170.5-82.5-175.3173.8-164.60113.5R15 I16R15-K19 WeakPolarHBondContact O-CG 3.37Å; R15-K19 PolarHBondContact O-N 2.9Å; I16-K19 PolarHBondContact O-N 2.85Å
20G49.6Very low65Low44 Ų4485 Ų8545%0.45441%0.413SS..SBendtrans-71.2150.5167.700000110.8Q22G20-Q22 PolarHBondContact O-N 2.85Å
21L49.4Very low65.2Low156 Ų15679 Ų7982%0.81739%0.39SS*.  trans-72.475.5178-167.569.8000110.6K23L21-K23 PolarHBondContact O-N 3.27Å
22Q56.3Low65.3Low54 Ų5483.9 Ų83.925%0.25241%0.41SS..  trans-64.3129.4176.4-62.8-176.33.200109.5K17 G20 L24K17-Q22 PolarHBondContact O-NE2 2.87Å; G20-Q22 PolarHBondContact O-N 2.85Å; Q22-L24 PolarHBondContact O-N 2.78Å
23K54.8Low65.2Low196 Ų19685.1 Ų85.185%0.85241%0.412SS*.  trans-51128.8175.3-76.8-175.1172.6-177.20109.8L21 R25L21-K23 PolarHBondContact O-N 3.27Å; K23-R25 PolarHBondContact O-N 2.86Å
24L58.2Low65.4Low77 Ų7785.2 Ų85.240%0.40341%0.406SS..G310 helixtrans-65.112.3-173.2-72.9152.7000115.8Q22 W26 Y27 H104Q22-L24 PolarHBondContact O-N 2.78Å; L24-W26 PolarHBondContact O-N 2.95Å; L24-Y27 HydrophobicContact CD2-CG 4.45Å; L24-Y27 PolarHBondContact O-N 2.86Å; L24-Y27 VanDerWaalsContact O-N 3.17Å; L24-H104 VanDerWaalsContact CD1-CE1 3.44Å; L24-H104 WeakPolarHBondContact CD1-CE1 3.48Å
25R65.6Low65.8Low171 Ų17182.6 Ų82.665%0.64539%0.392SS*.G310 helixtrans-53.9-22.3-179.3-169.7177.4-177.5-130.5-10.9113.7K23 E38K23-R25 PolarHBondContact O-N 2.86Å; R25-E38 IonicContact CZ-OE2 3.61Å; R25-E38 IonicContact NH1-OE2 2.99Å; R25-E38 PolarHBondContact NH1-OE2 3.44Å; R25-E38 IonicContact NH2-OE2 3.29Å
26W71.2Confident66Low45 Ų4582.1 Ų82.117%0.1739%0.391CS..G310 helixtrans-119.926.4-175.1-53.3134.8000113.8L24 C35 E38 F41L24-W26 PolarHBondContact O-N 2.95Å; W26-C35 HydrophobicContact CB-CB 4.17Å; W26-C35 WeakPolarHBondContact CB-O 3.48Å; W26-C35 WeakPolarHBondContact O-CA 3.5Å; W26-C35 VanDerWaalsContact O-CB 3.25Å; W26-C35 WeakPolarHBondContact O-CB 3.39Å; W26-C35 PolarHBondContact O-N 2.89Å; W26-E38 HydrophobicContact CH2-CB 3.63Å; W26-E38 VanDerWaalsContact CH2-CD 3.47Å; W26-E38 HydrophobicContact CH2-CG 3.33Å; W26-E38 WeakPolarHBondContact CH2-OE2 3.48Å; W26-E38 HydrophobicContact CZ2-CB 3.36Å; W26-E38 HydrophobicContact CZ2-CG 3.66Å; W26-E38 VanDerWaalsContact CZ2-OE2 3.31Å; W26-E38 WeakPolarHBondContact CZ2-OE2 3.39Å; W26-E38 HydrophobicContact CZ3-CB 4.32Å; W26-E38 HydrophobicContact CZ3-CG 3.94Å; W26-F41 HydrophobicContact CB-CB 4.2Å; W26-F41 HydrophobicContact CB-CD2 4.35Å; W26-F41 HydrophobicContact CB-CG 4.47Å; W26-F41 HydrophobicContact CD2-CB 4.27Å; W26-F41 HydrophobicContact CE3-CB 3.78Å; W26-F41 AromaticContact CE3-CD1 3.9Å; W26-F41 HydrophobicContact CE3-CD1 3.9Å; W26-F41 AromaticContact CE3-CG 3.86Å; W26-F41 HydrophobicContact CE3-CG 3.86Å; W26-F41 HydrophobicContact CG-CB 4.47Å; W26-F41 HydrophobicContact CZ3-CD1 4.27Å; W26-F41 WeakPolarHBondContact O-CD2 3.43Å
27Y73.8Confident66.7Low36 Ų3681.2 Ų81.214%0.14139%0.387CS..EExtended strand (participates in β ladder)trans-91.1138.7174.1-173.3-99.9000111.8L24 Q32 Q34 F41L24-Y27 HydrophobicContact CD2-CG 4.45Å; L24-Y27 PolarHBondContact O-N 2.86Å; L24-Y27 VanDerWaalsContact O-N 3.17Å; Y27-Q32 VanDerWaalsContact OH-CA 3.26Å; Y27-Q32 WeakPolarHBondContact OH-CA 3.17Å; Y27-Q32 PolarHBondContact OH-O 2.87Å; Y27-Q34 HydrophobicContact CD2-CB 3.87Å; Y27-Q34 HydrophobicContact CD2-CG 4.37Å; Y27-Q34 HydrophobicContact CE2-CB 4.41Å; Y27-F41 WeakPolarHBondContact O-CE2 3.27Å
28C78.4Confident67.5Low8 Ų878 Ų785%0.05437%0.374CS..EExtended strand (participates in β ladder)trans-110.1113.6173.3-177.50000110.9C31 Q32 K33 F41 H44 H50C28-C31 HydrophobicContact CB-CB 4.43Å; C28-C31 PolarHBondContact O-N 2.85Å; C28-Q32 CarbonylContact O-C 3.45Å; C28-Q32 WeakPolarHBondContact O-CA 3.45Å; C28-Q32 PolarHBondContact O-N 2.89Å; C28-K33 PolarHBondContact N-O 2.79Å; C28-K33 PolarHBondContact O-N 3.3Å; C28-F41 HydrophobicContact CB-CE2 4.07Å; C28-H44 WeakPolarHBondContact CB-NE2 3.41Å; C28-H50 PolarHBondContact SG-CE1 2.71Å; C28-H50 PolarHBondContact SG-ND1 3.06Å; C28-H50 VanDerWaalsContact SG-ND1 3.36Å
29Q73.5Confident68.7Low29 Ų2981.4 Ų81.414%0.13639%0.389CS..THydrogen-bonded Turntrans-62.9-48.9-179.3-16567.240.200112.5C31 Q32 A109Q29-C31 PolarHBondContact O-N 3Å; Q29-C31 VanDerWaalsContact O-N 3.08Å; Q29-Q32 PolarHBondContact O-N 3.45Å; Q29-A109 HydrophobicContact CG-CB 3.98Å
30M74.7Confident69.9Low57 Ų5774.7 Ų74.728%0.28137%0.37SS..THydrogen-bonded Turntrans-58.8-26.3-177.1-58.6-61.694.800113.6Q53 A57 F68M30-Q53 PolarHBondContact O-NE2 2.78Å; M30-A57 HydrophobicContact SD-CB 4.25Å; M30-F68 HydrophobicContact CE-CD2 4.49Å; M30-F68 HydrophobicContact CE-CE2 3.49Å; M30-F68 VanDerWaalsContact CE-CE2 3.49Å; M30-F68 HydrophobicContact CE-CZ 3.74Å
31C74.6Confident71.4Confident25 Ų2574.9 Ų74.917%0.16936%0.358CS..THydrogen-bonded Turntrans-1134.5-178.2-52.30000112.6C28 Q29 K33 H44 H50 Q53C28-C31 HydrophobicContact CB-CB 4.43Å; C28-C31 PolarHBondContact O-N 2.85Å; Q29-C31 PolarHBondContact O-N 3Å; Q29-C31 VanDerWaalsContact O-N 3.08Å; C31-K33 HydrophobicContact CB-CB 4.01Å; C31-K33 WeakPolarHBondContact O-CB 3.45Å; C31-K33 PolarHBondContact O-N 2.77Å; C31-H44 VanDerWaalsContact CB-NE2 3.35Å; C31-H44 WeakPolarHBondContact CB-NE2 3.48Å; C31-H44 PolarHBondContact SG-CE1 2.72Å; C31-H50 PolarHBondContact SG-ND1 3.19Å; C31-Q53 PolarHBondContact SG-OE1 2.9Å
32Q74.5Confident73Confident120 Ų12072.5 Ų72.556%0.56134%0.341SS*.THydrogen-bonded Turntrans46.129.1-170.7-64.1176.4-12.500114.5Y27 C28 Q29Y27-Q32 VanDerWaalsContact OH-CA 3.26Å; Y27-Q32 WeakPolarHBondContact OH-CA 3.17Å; Y27-Q32 PolarHBondContact OH-O 2.87Å; C28-Q32 CarbonylContact O-C 3.45Å; C28-Q32 WeakPolarHBondContact O-CA 3.45Å; C28-Q32 PolarHBondContact O-N 2.89Å; Q29-Q32 PolarHBondContact O-N 3.45Å
33K71.8Confident74.3Confident97 Ų9774.4 Ų74.442%0.42236%0.359SS..EExtended strand (participates in β ladder)trans-112.2112.5-160.7-174.1174.7167.4-162.10112.6C28 C31 C35 H44C28-K33 PolarHBondContact N-O 2.79Å; C28-K33 PolarHBondContact O-N 3.3Å; C31-K33 HydrophobicContact CB-CB 4.01Å; C31-K33 WeakPolarHBondContact O-CB 3.45Å; C31-K33 PolarHBondContact O-N 2.77Å; K33-C35 PolarHBondContact O-N 3.45Å; K33-H44 PolarHBondContact NZ-ND1 2.93Å
34Q72.4Confident75.7Confident44 Ų4465.3 Ų65.321%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-73.8110.3169-162.7175.130.400110.4Y27Y27-Q34 HydrophobicContact CD2-CB 3.87Å; Y27-Q34 HydrophobicContact CD2-CG 4.37Å; Y27-Q34 HydrophobicContact CE2-CB 4.41Å
35C74.8Confident76.8Confident11 Ų1163.7 Ų63.77%0.07431%0.314CS..  trans-85.1154.8166.2-600000109.8W26 K33 F41 H44W26-C35 HydrophobicContact CB-CB 4.17Å; W26-C35 WeakPolarHBondContact CB-O 3.48Å; W26-C35 WeakPolarHBondContact O-CA 3.5Å; W26-C35 VanDerWaalsContact O-CB 3.25Å; W26-C35 WeakPolarHBondContact O-CB 3.39Å; W26-C35 PolarHBondContact O-N 2.89Å; K33-C35 PolarHBondContact O-N 3.45Å; C35-F41 HydrophobicContact CB-CB 3.95Å; C35-F41 HydrophobicContact CB-CD2 4.14Å; C35-H44 VanDerWaalsContact SG-CD2 3.55Å
36R71.6Confident77.6Confident87 Ų8763.1 Ų63.133%0.32832%0.321SS..SBendtrans-92.1-40.2-168.6-175.6-173.1176.3113.3-21.3113.4N14N14-R36 PolarHBondContact O-NH1 2.99Å; N14-R36 PolarHBondContact OD1-NH1 3.17Å; N14-R36 PolarHBondContact OD1-NH2 2.97Å
37D78.9Confident78.4Confident93 Ų9362.3 Ų62.350%0.49732%0.322SS..SBendtrans-138.8159.2-170.3-50.8-75.9000108.8N39 G40 F41D37-N39 VanDerWaalsContact C-N 3.31Å; D37-N39 PolarHBondContact O-N 2.7Å; D37-G40 WeakPolarHBondContact O-CA 3.38Å; D37-G40 PolarHBondContact O-N 2.65Å; D37-F41 PolarHBondContact O-N 2.88Å
38E79.4Confident78.9Confident68 Ų6868.4 Ų68.432%0.31835%0.352SS..Hα-helixtrans-53.4-45.2-176.6-173.4160.114500112.9R25 W26 G40 F41 K42R25-E38 IonicContact CZ-OE2 3.61Å; R25-E38 IonicContact NH1-OE2 2.99Å; R25-E38 PolarHBondContact NH1-OE2 3.44Å; R25-E38 IonicContact NH2-OE2 3.29Å; W26-E38 HydrophobicContact CH2-CB 3.63Å; W26-E38 VanDerWaalsContact CH2-CD 3.47Å; W26-E38 HydrophobicContact CH2-CG 3.33Å; W26-E38 WeakPolarHBondContact CH2-OE2 3.48Å; W26-E38 HydrophobicContact CZ2-CB 3.36Å; W26-E38 HydrophobicContact CZ2-CG 3.66Å; W26-E38 VanDerWaalsContact CZ2-OE2 3.31Å; W26-E38 WeakPolarHBondContact CZ2-OE2 3.39Å; W26-E38 HydrophobicContact CZ3-CB 4.32Å; W26-E38 HydrophobicContact CZ3-CG 3.94Å; E38-G40 VanDerWaalsContact C-N 3.3Å; E38-G40 PolarHBondContact O-N 3.16Å; E38-F41 PolarHBondContact O-N 3.14Å; E38-K42 HydrophobicContact CG-CD 4.33Å; E38-K42 WeakPolarHBondContact O-CG 3.49Å; E38-K42 PolarHBondContact O-N 2.83Å; E38-K42 WeakPolarHBondContact OE1-CE 3.41Å; E38-K42 IonicContact OE1-NZ 3.04Å; E38-K42 PolarHBondContact OE1-NZ 3.4Å
39N81.6Confident79Confident116 Ų11671.6 Ų71.662%0.6237%0.374SS*.Hα-helixtrans-68.6-31.1178.2-66.413.3000111.9D37 F41 K42 C43D37-N39 VanDerWaalsContact C-N 3.31Å; D37-N39 PolarHBondContact O-N 2.7Å; N39-F41 VanDerWaalsContact C-N 3.34Å; N39-K42 PolarHBondContact O-N 2.7Å; N39-C43 WeakPolarHBondContact O-CB 3.27Å; N39-C43 PolarHBondContact O-N 3.26Å; N39-C43 PolarHBondContact O-SG 3.05Å
40G82.9Confident79.5Confident35 Ų3571.1 Ų71.136%0.36137%0.372SS..Hα-helixtrans-67.5-35.1173.700000112.5D37 E38 H44D37-G40 WeakPolarHBondContact O-CA 3.38Å; D37-G40 PolarHBondContact O-N 2.65Å; E38-G40 VanDerWaalsContact C-N 3.3Å; E38-G40 PolarHBondContact O-N 3.16Å; G40-H44 WeakPolarHBondContact O-CB 3.35Å; G40-H44 PolarHBondContact O-N 2.8Å
41F81.4Confident79.8Confident47 Ų4774.5 Ų74.521%0.20639%0.387CS..Hα-helixtrans-70.6-46.8172.8-171.4-104.5000111.6W26 Y27 C28 C35 D37 E38 N39 C43 H44 C45W26-F41 HydrophobicContact CB-CB 4.2Å; W26-F41 HydrophobicContact CB-CD2 4.35Å; W26-F41 HydrophobicContact CB-CG 4.47Å; W26-F41 HydrophobicContact CD2-CB 4.27Å; W26-F41 HydrophobicContact CE3-CB 3.78Å; W26-F41 AromaticContact CE3-CD1 3.9Å; W26-F41 HydrophobicContact CE3-CD1 3.9Å; W26-F41 AromaticContact CE3-CG 3.86Å; W26-F41 HydrophobicContact CE3-CG 3.86Å; W26-F41 HydrophobicContact CG-CB 4.47Å; W26-F41 HydrophobicContact CZ3-CD1 4.27Å; W26-F41 WeakPolarHBondContact O-CD2 3.43Å; Y27-F41 WeakPolarHBondContact O-CE2 3.27Å; C28-F41 HydrophobicContact CB-CE2 4.07Å; C35-F41 HydrophobicContact CB-CB 3.95Å; C35-F41 HydrophobicContact CB-CD2 4.14Å; D37-F41 PolarHBondContact O-N 2.88Å; E38-F41 PolarHBondContact O-N 3.14Å; N39-F41 VanDerWaalsContact C-N 3.34Å; F41-C43 PolarHBondContact O-N 2.87Å; F41-H44 CarbonylContact O-C 3.58Å; F41-H44 WeakPolarHBondContact O-CA 3.17Å; F41-H44 WeakPolarHBondContact O-CB 3.36Å; F41-H44 PolarHBondContact O-N 2.96Å; F41-C45 PolarHBondContact O-N 2.82Å
42K82.6Confident80.3Confident106 Ų10681.6 Ų81.646%0.46141%0.41SS..Hα-helixtrans-58.2-47.3175.8-70.2173.7-174.5170.20112.3E38 N39 H44 C45 M46E38-K42 HydrophobicContact CG-CD 4.33Å; E38-K42 WeakPolarHBondContact O-CG 3.49Å; E38-K42 PolarHBondContact O-N 2.83Å; E38-K42 WeakPolarHBondContact OE1-CE 3.41Å; E38-K42 IonicContact OE1-NZ 3.04Å; E38-K42 PolarHBondContact OE1-NZ 3.4Å; N39-K42 PolarHBondContact O-N 2.7Å; K42-H44 PolarHBondContact O-N 2.82Å; K42-C45 PolarHBondContact O-N 3.37Å; K42-M46 WeakPolarHBondContact O-CG 3.47Å; K42-M46 PolarHBondContact O-N 2.6Å
43C84.4Confident80.4Confident94 Ų9479.6 Ų79.664%0.63540%0.401SS*.Hα-helixtrans-65.5-18.6174.9-670000113.7N39 F41N39-C43 WeakPolarHBondContact O-CB 3.27Å; N39-C43 PolarHBondContact O-N 3.26Å; N39-C43 PolarHBondContact O-SG 3.05Å; F41-C43 PolarHBondContact O-N 2.87Å
44H83.8Confident80.7Confident5 Ų578.9 Ų78.92%0.02340%0.402CS..Hα-helixtrans-83.6-42.6171.717829.5000112C28 C31 K33 C35 G40 F41 K42 M46 S47 H50C28-H44 WeakPolarHBondContact CB-NE2 3.41Å; C31-H44 VanDerWaalsContact CB-NE2 3.35Å; C31-H44 WeakPolarHBondContact CB-NE2 3.48Å; C31-H44 PolarHBondContact SG-CE1 2.72Å; K33-H44 PolarHBondContact NZ-ND1 2.93Å; C35-H44 VanDerWaalsContact SG-CD2 3.55Å; G40-H44 WeakPolarHBondContact O-CB 3.35Å; G40-H44 PolarHBondContact O-N 2.8Å; F41-H44 CarbonylContact O-C 3.58Å; F41-H44 WeakPolarHBondContact O-CA 3.17Å; F41-H44 WeakPolarHBondContact O-CB 3.36Å; F41-H44 PolarHBondContact O-N 2.96Å; K42-H44 PolarHBondContact O-N 2.82Å; H44-M46 PolarHBondContact O-N 2.9Å; H44-S47 PolarHBondContact ND1-OG 2.95Å; H44-S47 WeakPolarHBondContact O-CB 3.43Å; H44-S47 PolarHBondContact O-N 3.02Å; H44-S47 PolarHBondContact O-OG 2.56Å; H44-H50 VanDerWaalsContact O-CB 3.23Å; H44-H50 WeakPolarHBondContact O-CB 3.31Å
45C81.8Confident81.1Confident43 Ų4381.7 Ų81.729%0.29142%0.417SS..Hα-helixtrans-61.4-34.4173.7-66.50000112.1F41 K42 S47 H50F41-C45 PolarHBondContact O-N 2.82Å; K42-C45 PolarHBondContact O-N 3.37Å; C45-S47 VanDerWaalsContact C-N 3.26Å; C45-S47 PolarHBondContact O-N 2.85Å; C45-H50 PolarHBondContact O-CD2 3.46Å; C45-H50 VanDerWaalsContact O-CD2 3.31Å
46M82.5Confident81.2Confident159 Ų15984.7 Ų84.778%0.78343%0.432SS*.THydrogen-bonded Turntrans-82.38.3173.9-59.9-60.4-63.200114.2K42 H44K42-M46 WeakPolarHBondContact O-CG 3.47Å; K42-M46 PolarHBondContact O-N 2.6Å; H44-M46 PolarHBondContact O-N 2.9Å
47S87.7Confident81.1Confident29 Ų2981.2 Ų81.220%0.20342%0.422CS..SBendtrans-93.8137.1-179.368.90000112.3H44 C45 S49 H50 Q51H44-S47 PolarHBondContact ND1-OG 2.95Å; H44-S47 WeakPolarHBondContact O-CB 3.43Å; H44-S47 PolarHBondContact O-N 3.02Å; H44-S47 PolarHBondContact O-OG 2.56Å; C45-S47 VanDerWaalsContact C-N 3.26Å; C45-S47 PolarHBondContact O-N 2.85Å; S47-S49 PolarHBondContact O-N 2.89Å; S47-S49 VanDerWaalsContact O-N 3.12Å; S47-H50 WeakPolarHBondContact O-CB 3.37Å; S47-H50 PolarHBondContact O-N 3.1Å; S47-Q51 PolarHBondContact O-N 3.11Å
48E84.5Confident80.8Confident163 Ų16380.7 Ų80.776%0.76243%0.426SS*.Hα-helixtrans-51-37.7-178-170.8-168.9158.900113.3Q51 R52E48-Q51 PolarHBondContact O-N 2.77Å; E48-R52 VanDerWaalsContact O-CB 3.28Å; E48-R52 WeakPolarHBondContact O-CB 3.39Å; E48-R52 PolarHBondContact O-N 3Å
49S80.3Confident80.8Confident75 Ų7582.7 Ų82.752%0.52444%0.435SS..Hα-helixtrans-67.4-36.217853.40000113.3S47 Q53S47-S49 PolarHBondContact O-N 2.89Å; S47-S49 VanDerWaalsContact O-N 3.12Å; S49-Q53 WeakPolarHBondContact O-CG 3.44Å; S49-Q53 PolarHBondContact O-N 3.01Å; S49-Q53 VanDerWaalsContact O-N 3.14Å
50H83.4Confident80.3Confident19 Ų1980.6 Ų80.69%0.08842%0.424CS..Hα-helixtrans-68.9-44.8171.5177.975.6000111.1C28 C31 H44 C45 S47 R52 Q53 L54C28-H50 PolarHBondContact SG-CE1 2.71Å; C28-H50 PolarHBondContact SG-ND1 3.06Å; C28-H50 VanDerWaalsContact SG-ND1 3.36Å; C31-H50 PolarHBondContact SG-ND1 3.19Å; H44-H50 VanDerWaalsContact O-CB 3.23Å; H44-H50 WeakPolarHBondContact O-CB 3.31Å; C45-H50 PolarHBondContact O-CD2 3.46Å; C45-H50 VanDerWaalsContact O-CD2 3.31Å; S47-H50 WeakPolarHBondContact O-CB 3.37Å; S47-H50 PolarHBondContact O-N 3.1Å; H50-R52 VanDerWaalsContact C-N 3.31Å; H50-R52 PolarHBondContact O-N 2.68Å; H50-Q53 PolarHBondContact O-N 2.91Å; H50-L54 WeakPolarHBondContact NE2-CD1 3.12Å; H50-L54 PolarHBondContact O-N 3.4Å
51Q81.7Confident79.9Confident128 Ų12882.8 Ų82.860%0.59843%0.432SS*.Hα-helixtrans-65.1-35-179.3-166.5169.1-2.700112.2S47 E48 L54 L55S47-Q51 PolarHBondContact O-N 3.11Å; E48-Q51 PolarHBondContact O-N 2.77Å; Q51-L54 PolarHBondContact O-N 2.87Å; Q51-L55 PolarHBondContact O-N 3.04Å
52R84.4Confident79.7Confident174 Ų17488 Ų8866%0.65746%0.457SS*.Hα-helixtrans-68.2-39.4171.6-176.7175.6176.8-179.8-0.9112.6E48 H50 L55 L56E48-R52 VanDerWaalsContact O-CB 3.28Å; E48-R52 WeakPolarHBondContact O-CB 3.39Å; E48-R52 PolarHBondContact O-N 3Å; H50-R52 VanDerWaalsContact C-N 3.31Å; H50-R52 PolarHBondContact O-N 2.68Å; R52-L55 PolarHBondContact O-N 3.48Å; R52-L56 HydrophobicContact CG-CD1 4.39Å; R52-L56 WeakPolarHBondContact O-CG 3.25Å; R52-L56 PolarHBondContact O-N 2.86Å
53Q76.9Confident79.6Confident79 Ų7988.9 Ų88.937%0.36946%0.463SS..Hα-helixtrans-68.4-35174.2-73.7-178.4-65.700112M30 C31 S49 H50 A57M30-Q53 PolarHBondContact O-NE2 2.78Å; C31-Q53 PolarHBondContact SG-OE1 2.9Å; S49-Q53 WeakPolarHBondContact O-CG 3.44Å; S49-Q53 PolarHBondContact O-N 3.01Å; S49-Q53 VanDerWaalsContact O-N 3.14Å; H50-Q53 PolarHBondContact O-N 2.91Å; Q53-A57 VanDerWaalsContact O-CB 3.3Å; Q53-A57 WeakPolarHBondContact O-CB 3.46Å; Q53-A57 PolarHBondContact O-N 3.46Å
54L78.1Confident79.3Confident82 Ų8288 Ų8843%0.42945%0.448SS..Hα-helixtrans-62.7-40.8168.7-86.8172.1000112.6H50 Q51 A57 S58H50-L54 WeakPolarHBondContact NE2-CD1 3.12Å; H50-L54 PolarHBondContact O-N 3.4Å; Q51-L54 PolarHBondContact O-N 2.87Å; L54-A57 PolarHBondContact O-N 3.48Å; L54-S58 WeakPolarHBondContact O-CB 3.5Å; L54-S58 PolarHBondContact O-N 2.87Å
55L80.9Confident79.2Confident102 Ų10291 Ų9153%0.53446%0.463SS..Hα-helixtrans-62.4-51.2178-159.778.3000110.9Q51 R52 A57 S58 E59Q51-L55 PolarHBondContact O-N 3.04Å; R52-L55 PolarHBondContact O-N 3.48Å; L55-A57 VanDerWaalsContact C-N 3.28Å; L55-A57 PolarHBondContact O-N 3.49Å; L55-S58 WeakPolarHBondContact O-CA 3.27Å; L55-S58 WeakPolarHBondContact O-CB 3.47Å; L55-S58 PolarHBondContact O-N 2.89Å; L55-S58 PolarHBondContact O-OG 2.95Å; L55-E59 WeakPolarHBondContact O-CG 3.28Å; L55-E59 PolarHBondContact O-N 3.5Å
56L76.9Confident79.4Confident74 Ų7493.5 Ų93.539%0.38747%0.473SS..Hα-helixtrans-57.8-40175.4-67.2166.6000112.1R52 S58 E59 N60 F64R52-L56 HydrophobicContact CG-CD1 4.39Å; R52-L56 WeakPolarHBondContact O-CG 3.25Å; R52-L56 PolarHBondContact O-N 2.86Å; L56-S58 VanDerWaalsContact C-N 3.33Å; L56-E59 PolarHBondContact O-N 2.8Å; L56-N60 PolarHBondContact O-N 3.02Å; L56-F64 HydrophobicContact CB-CZ 4.36Å; L56-F64 WeakPolarHBondContact O-CE2 3.43Å
57A70Confident79.5Confident14 Ų1490.9 Ų90.912%0.11646%0.456CS..Hα-helixtrans-67.7-30.6174.900000113.2M30 Q53 L54 L55 P61 F64M30-A57 HydrophobicContact SD-CB 4.25Å; Q53-A57 VanDerWaalsContact O-CB 3.3Å; Q53-A57 WeakPolarHBondContact O-CB 3.46Å; Q53-A57 PolarHBondContact O-N 3.46Å; L54-A57 PolarHBondContact O-N 3.48Å; L55-A57 VanDerWaalsContact C-N 3.28Å; L55-A57 PolarHBondContact O-N 3.49Å; A57-P61 VanDerWaalsContact O-CA 3.23Å; A57-P61 WeakPolarHBondContact O-CA 3.15Å; A57-P61 WeakPolarHBondContact O-CB 3.32Å; A57-P61 WeakPolarHBondContact O-CD 3.22Å; A57-F64 HydrophobicContact CB-CD2 4.23Å; A57-F64 HydrophobicContact CB-CE2 4.4Å; A57-F64 HydrophobicContact CB-CG 4.48Å
58S72.3Confident79.4Confident83 Ų8390.3 Ų90.358%0.5845%0.45SS*.Hα-helixtrans-75.7-24.7175.173.50000113.5L54 L55 L56L54-S58 WeakPolarHBondContact O-CB 3.5Å; L54-S58 PolarHBondContact O-N 2.87Å; L55-S58 WeakPolarHBondContact O-CA 3.27Å; L55-S58 WeakPolarHBondContact O-CB 3.47Å; L55-S58 PolarHBondContact O-N 2.89Å; L55-S58 PolarHBondContact O-OG 2.95Å; L56-S58 VanDerWaalsContact C-N 3.33Å
59E78.1Confident79.6Confident110 Ų11082.7 Ų82.751%0.51441%0.414SS..Hα-helixtrans-74.2-37.1176.6-70.5162.9-165.200112.2L55 L56L55-E59 WeakPolarHBondContact O-CG 3.28Å; L55-E59 PolarHBondContact O-N 3.5Å; L56-E59 PolarHBondContact O-N 2.8Å
60N72.1Confident80Confident72 Ų7283.9 Ų83.939%0.38541%0.411SS..SBendtrans-138.757.5-176.9-71.3-83.7000113.5L56 Q62 Q63 F64L56-N60 PolarHBondContact O-N 3.02Å; N60-Q62 VanDerWaalsContact C-N 3.25Å; N60-Q62 PolarHBondContact O-N 3.36Å; N60-Q62 VanDerWaalsContact O-N 3.1Å; N60-Q63 HydrophobicContact CB-CB 4.36Å; N60-Q63 HydrophobicContact CB-CG 4.31Å; N60-Q63 PolarHBondContact O-N 2.87Å; N60-Q63 VanDerWaalsContact O-N 3.1Å; N60-F64 WeakPolarHBondContact O-CD2 3.27Å
61P74.6Confident80.3Confident81 Ų8186.3 Ų86.353%0.52642%0.423SS..Hα-helixtrans-59.9-30-169.422.6-34.2000114.5A57 M65A57-P61 VanDerWaalsContact O-CA 3.23Å; A57-P61 WeakPolarHBondContact O-CA 3.15Å; A57-P61 WeakPolarHBondContact O-CB 3.32Å; A57-P61 WeakPolarHBondContact O-CD 3.22Å; P61-M65 WeakPolarHBondContact O-CB 3.38Å; P61-M65 PolarHBondContact O-N 3.28Å; P61-M65 VanDerWaalsContact O-N 3.12Å
62Q76.3Confident80.6Confident156 Ų15680.2 Ų80.273%0.72939%0.394SS*.Hα-helixtrans-65.5-44.8176.6-70.9176.4-20.300112.2N60 F64 M65 D66N60-Q62 VanDerWaalsContact C-N 3.25Å; N60-Q62 PolarHBondContact O-N 3.36Å; N60-Q62 VanDerWaalsContact O-N 3.1Å; Q62-F64 VanDerWaalsContact C-N 3.31Å; Q62-F64 PolarHBondContact O-N 2.74Å; Q62-M65 CarbonylContact O-C 3.53Å; Q62-M65 WeakPolarHBondContact O-CA 3.34Å; Q62-M65 WeakPolarHBondContact O-CB 3.3Å; Q62-M65 PolarHBondContact O-N 3.07Å; Q62-D66 PolarHBondContact O-N 3.04Å
63Q80.4Confident80.8Confident124 Ų12474.6 Ų74.658%0.57937%0.373SS*.Hα-helixtrans-64.1-36.3-178.2-64.4176.7500112.3N60 Y67N60-Q63 HydrophobicContact CB-CB 4.36Å; N60-Q63 HydrophobicContact CB-CG 4.31Å; N60-Q63 PolarHBondContact O-N 2.87Å; N60-Q63 VanDerWaalsContact O-N 3.1Å; Q63-Y67 WeakPolarHBondContact O-CB 3.27Å; Q63-Y67 PolarHBondContact O-N 2.91Å
64F78.4Confident81.4Confident75 Ų7573.6 Ų73.633%0.32937%0.37SS..Hα-helixtrans-68.5-39.5172.4-73.8-83.9000111.8L56 A57 N60 Q62 Y67 F68L56-F64 HydrophobicContact CB-CZ 4.36Å; L56-F64 WeakPolarHBondContact O-CE2 3.43Å; A57-F64 HydrophobicContact CB-CD2 4.23Å; A57-F64 HydrophobicContact CB-CE2 4.4Å; A57-F64 HydrophobicContact CB-CG 4.48Å; N60-F64 WeakPolarHBondContact O-CD2 3.27Å; Q62-F64 VanDerWaalsContact C-N 3.31Å; Q62-F64 PolarHBondContact O-N 2.74Å; F64-Y67 PolarHBondContact O-N 2.68Å; F64-F68 HydrophobicContact CB-CD2 4.46Å; F64-F68 HydrophobicContact CB-CE2 4.1Å; F64-F68 HydrophobicContact CD1-CE2 4.49Å; F64-F68 WeakPolarHBondContact O-CD2 3.04Å; F64-F68 WeakPolarHBondContact O-CG 3.46Å; F64-F68 PolarHBondContact O-N 2.82Å
65M81.3Confident82Confident70 Ų7073 Ų7335%0.34537%0.367SS..Hα-helixtrans-64.7-40.5176.6-165.962.913300112.1P61 Q62 S69 T110 Q111P61-M65 WeakPolarHBondContact O-CB 3.38Å; P61-M65 PolarHBondContact O-N 3.28Å; P61-M65 VanDerWaalsContact O-N 3.12Å; Q62-M65 CarbonylContact O-C 3.53Å; Q62-M65 WeakPolarHBondContact O-CA 3.34Å; Q62-M65 WeakPolarHBondContact O-CB 3.3Å; Q62-M65 PolarHBondContact O-N 3.07Å; M65-S69 VanDerWaalsContact O-CB 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.44Å; M65-S69 PolarHBondContact O-N 2.74Å; M65-S69 PolarHBondContact O-OG 2.82Å; M65-T110 VanDerWaalsContact CE-C 3.45Å; M65-T110 WeakPolarHBondContact CE-O 3.42Å; M65-Q111 HydrophobicContact CG-CB 4.48Å
66D85.9Confident82.4Confident94 Ų9468.1 Ų68.150%0.50334%0.342SS..Hα-helixtrans-63.8-48.5175-67.9-29.6000110.7Q62 F68 S69 E70Q62-D66 PolarHBondContact O-N 3.04Å; D66-F68 PolarHBondContact O-N 2.91Å; D66-S69 PolarHBondContact O-N 2.92Å; D66-S69 VanDerWaalsContact O-N 3.16Å; D66-E70 PolarHBondContact O-N 3.49Å
67Y85.9Confident82.9Confident105 Ų10565.7 Ų65.741%0.41233%0.329SS..Hα-helixtrans-59.1-48.6176.8174.6-116.1000112.5Q63 F64 S69 E70 E71Q63-Y67 WeakPolarHBondContact O-CB 3.27Å; Q63-Y67 PolarHBondContact O-N 2.91Å; F64-Y67 PolarHBondContact O-N 2.68Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 3.29Å; Y67-E70 PolarHBondContact O-N 3.06Å; Y67-E71 HydrophobicContact CD2-CG 3.87Å; Y67-E71 HydrophobicContact CE1-CG 4.27Å; Y67-E71 HydrophobicContact CE2-CG 3.31Å; Y67-E71 WeakPolarHBondContact CE2-OE2 3.16Å; Y67-E71 WeakPolarHBondContact O-CG 3.3Å; Y67-E71 PolarHBondContact O-N 2.71Å; Y67-E71 PolarHBondContact OH-OE2 3.28Å
68F85.6Confident83.7Confident17 Ų1769.9 Ų69.98%0.07535%0.346CS..Hα-helixtrans-64.7-31.4176.6-66.8-49.2000112.7M30 F64 D66 F72 I105 A109M30-F68 HydrophobicContact CE-CD2 4.49Å; M30-F68 HydrophobicContact CE-CE2 3.49Å; M30-F68 VanDerWaalsContact CE-CE2 3.49Å; M30-F68 HydrophobicContact CE-CZ 3.74Å; F64-F68 HydrophobicContact CB-CD2 4.46Å; F64-F68 HydrophobicContact CB-CE2 4.1Å; F64-F68 HydrophobicContact CD1-CE2 4.49Å; F64-F68 WeakPolarHBondContact O-CD2 3.04Å; F64-F68 WeakPolarHBondContact O-CG 3.46Å; F64-F68 PolarHBondContact O-N 2.82Å; D66-F68 PolarHBondContact O-N 2.91Å; F68-F72 WeakPolarHBondContact O-CB 3.47Å; F68-F72 PolarHBondContact O-N 3.14Å; F68-I105 HydrophobicContact CB-CD1 4.44Å; F68-I105 HydrophobicContact CB-CG2 4.22Å; F68-I105 HydrophobicContact CD1-CD1 4.15Å; F68-I105 WeakPolarHBondContact O-CD1 3.41Å; F68-A109 WeakPolarHBondContact CB-O 3.31Å
69S88.1Confident84.5Confident2 Ų266 Ų661%0.01432%0.319CS..Hα-helixtrans-72.7-38.6176.1-59.10000112.3M65 D66 Y67 R73 Q111 W112M65-S69 VanDerWaalsContact O-CB 3.23Å; M65-S69 WeakPolarHBondContact O-CB 3.44Å; M65-S69 PolarHBondContact O-N 2.74Å; M65-S69 PolarHBondContact O-OG 2.82Å; D66-S69 PolarHBondContact O-N 2.92Å; D66-S69 VanDerWaalsContact O-N 3.16Å; Y67-S69 VanDerWaalsContact C-N 3.27Å; Y67-S69 PolarHBondContact O-N 3.29Å; S69-R73 VanDerWaalsContact O-CB 3.29Å; S69-R73 WeakPolarHBondContact O-CB 3.14Å; S69-R73 PolarHBondContact O-N 2.99Å; S69-Q111 PolarHBondContact OG-N 3.3Å; S69-W112 WeakPolarHBondContact O-CH2 3.37Å; S69-W112 WeakPolarHBondContact O-CZ3 3.31Å
70E88.8Confident85.1Confident101 Ų10160.8 Ų60.847%0.47230%0.295SS..Hα-helixtrans-66.6-50.4175.2174.7156.5-14100111.3D66 Y67 F72 R73 N74D66-E70 PolarHBondContact O-N 3.49Å; Y67-E70 PolarHBondContact O-N 3.06Å; E70-F72 PolarHBondContact O-N 2.97Å; E70-R73 WeakPolarHBondContact O-CB 3.44Å; E70-R73 PolarHBondContact O-N 2.93Å; E70-R73 IonicContact OE1-NH2 3.84Å; E70-R73 PolarHBondContact OE1-NH2 2.95Å; E70-N74 VanDerWaalsContact CG-ND2 3.3Å; E70-N74 WeakPolarHBondContact CG-ND2 3.27Å; E70-N74 WeakPolarHBondContact O-CB 3.42Å; E70-N74 PolarHBondContact O-N 2.88Å; E70-N74 PolarHBondContact O-ND2 2.87Å; E70-N74 PolarHBondContact O-OD1 3.2Å
71E88.6Confident85.7Confident69 Ų6962.3 Ų62.332%0.32230%0.295SS..Hα-helixtrans-60.2-45.4178.4-65.3-76.464.700111.4Y67 R73 N74 D75 I105Y67-E71 HydrophobicContact CD2-CG 3.87Å; Y67-E71 HydrophobicContact CE1-CG 4.27Å; Y67-E71 HydrophobicContact CE2-CG 3.31Å; Y67-E71 WeakPolarHBondContact CE2-OE2 3.16Å; Y67-E71 WeakPolarHBondContact O-CG 3.3Å; Y67-E71 PolarHBondContact O-N 2.71Å; Y67-E71 PolarHBondContact OH-OE2 3.28Å; E71-R73 VanDerWaalsContact C-N 3.35Å; E71-R73 PolarHBondContact O-N 3.19Å; E71-N74 PolarHBondContact O-N 3.33Å; E71-D75 WeakPolarHBondContact O-CB 3.41Å; E71-D75 PolarHBondContact O-N 2.92Å; E71-I105 HydrophobicContact CB-CD1 3.5Å
72F89.4Confident86.2Confident0 Ų065.4 Ų65.40%030%0.296CS..Hα-helixtrans-58.3-44.9175.4173.8-92.1000111.9F68 E70 F76 Y95 Y98 I105 M107 T110 W112 F118F68-F72 WeakPolarHBondContact O-CB 3.47Å; F68-F72 PolarHBondContact O-N 3.14Å; E70-F72 PolarHBondContact O-N 2.97Å; F72-F76 WeakPolarHBondContact O-CB 3.38Å; F72-F76 PolarHBondContact O-N 3.1Å; F72-Y95 HydrophobicContact CE2-CE2 4.05Å; F72-Y95 HydrophobicContact CZ-CD2 4.42Å; F72-Y95 HydrophobicContact CZ-CE2 4.09Å; F72-Y98 HydrophobicContact CD2-CD1 4.34Å; F72-Y98 AromaticContact CD2-CE1 3.45Å; F72-Y98 HydrophobicContact CD2-CE1 3.45Å; F72-Y98 VanDerWaalsContact CD2-CE1 3.45Å; F72-Y98 AromaticContact CD2-CZ 3.95Å; F72-Y98 AromaticContact CE2-CD1 3.92Å; F72-Y98 HydrophobicContact CE2-CD1 3.92Å; F72-Y98 AromaticContact CE2-CE1 3.46Å; F72-Y98 HydrophobicContact CE2-CE1 3.46Å; F72-Y98 VanDerWaalsContact CE2-CE1 3.46Å; F72-I105 HydrophobicContact CB-CB 4.33Å; F72-I105 HydrophobicContact CB-CD1 4.43Å; F72-I105 HydrophobicContact CB-CG2 4.43Å; F72-I105 HydrophobicContact CD2-CB 4.35Å; F72-M107 HydrophobicContact CE2-CB 4.33Å; F72-M107 HydrophobicContact CZ-CB 4.38Å; F72-M107 HydrophobicContact CZ-CG 4.17Å; F72-M107 HydrophobicContact CZ-SD 3.9Å; F72-T110 HydrophobicContact CB-CG2 3.75Å; F72-T110 HydrophobicContact CD1-CG2 4.23Å; F72-T110 HydrophobicContact CD2-CG2 4.13Å; F72-T110 HydrophobicContact CG-CG2 3.79Å; F72-W112 AromaticContact CD1-CE3 3.93Å; F72-W112 HydrophobicContact CD1-CE3 3.93Å; F72-W112 AromaticContact CD1-CZ3 3.66Å; F72-W112 HydrophobicContact CD1-CZ3 3.66Å; F72-W112 HydrophobicContact CE1-CE3 4.08Å; F72-W112 HydrophobicContact CE1-CZ3 4.23Å; F72-F118 HydrophobicContact CD1-CE1 4.42Å; F72-F118 HydrophobicContact CD1-CE2 4.09Å; F72-F118 HydrophobicContact CD1-CZ 4.01Å; F72-F118 AromaticContact CE1-CD1 3.78Å; F72-F118 HydrophobicContact CE1-CD1 3.78Å; F72-F118 HydrophobicContact CE1-CD2 4.02Å; F72-F118 AromaticContact CE1-CE1 3.56Å; F72-F118 HydrophobicContact CE1-CE1 3.56Å; F72-F118 AromaticContact CE1-CE2 3.82Å; F72-F118 HydrophobicContact CE1-CE2 3.82Å; F72-F118 AromaticContact CE1-CG 4Å; F72-F118 HydrophobicContact CE1-CG 4Å; F72-F118 AromaticContact CE1-CZ 3.58Å; F72-F118 HydrophobicContact CE1-CZ 3.58Å; F72-F118 HydrophobicContact CZ-CD1 4.32Å; F72-F118 HydrophobicContact CZ-CE1 4.22Å
73R89.3Confident86.6Confident56 Ų5664.1 Ų64.121%0.21129%0.285CS..Hα-helixtrans-63.1-45176.4-177.9-15972.5174.2-11.8111.1S69 E70 E71 F76 L77 W112 W121 E125S69-R73 VanDerWaalsContact O-CB 3.29Å; S69-R73 WeakPolarHBondContact O-CB 3.14Å; S69-R73 PolarHBondContact O-N 2.99Å; E70-R73 WeakPolarHBondContact O-CB 3.44Å; E70-R73 PolarHBondContact O-N 2.93Å; E70-R73 IonicContact OE1-NH2 3.84Å; E70-R73 PolarHBondContact OE1-NH2 2.95Å; E71-R73 VanDerWaalsContact C-N 3.35Å; E71-R73 PolarHBondContact O-N 3.19Å; R73-F76 PolarHBondContact O-N 2.86Å; R73-L77 HydrophobicContact CG-CD1 4.21Å; R73-L77 WeakPolarHBondContact O-CB 3.27Å; R73-L77 PolarHBondContact O-N 3.12Å; R73-W112 HydrophobicContact CB-CH2 4.34Å; R73-W121 VanDerWaalsContact CD-CH2 3.5Å; R73-W121 HydrophobicContact CG-CH2 4.32Å; R73-W121 HydrophobicContact CG-CZ3 3.95Å; R73-E125 IonicContact NH1-OE2 3.17Å; R73-E125 PolarHBondContact NH1-OE2 3.14Å
74N89.5Confident86.6Confident59 Ų5960.3 Ų60.332%0.31627%0.266SS..Hα-helixtrans-65.1-48.8-176.2-67-12.4000110.8E70 E71 F76 L77 E78E70-N74 VanDerWaalsContact CG-ND2 3.3Å; E70-N74 WeakPolarHBondContact CG-ND2 3.27Å; E70-N74 WeakPolarHBondContact O-CB 3.42Å; E70-N74 PolarHBondContact O-N 2.88Å; E70-N74 PolarHBondContact O-ND2 2.87Å; E70-N74 PolarHBondContact O-OD1 3.2Å; E71-N74 PolarHBondContact O-N 3.33Å; N74-F76 PolarHBondContact O-N 3.46Å; N74-L77 PolarHBondContact O-N 3.42Å; N74-E78 PolarHBondContact O-N 2.77Å
75D89.2Confident86.8Confident68 Ų6857.8 Ų57.836%0.36426%0.262SS..Hα-helixtrans-54.7-48.8171.3-87.6-14.4000112.1E71 L77 E78 L79 Y98E71-D75 WeakPolarHBondContact O-CB 3.41Å; E71-D75 PolarHBondContact O-N 2.92Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.01Å; D75-E78 PolarHBondContact O-N 2.82Å; D75-L79 WeakPolarHBondContact O-CB 3.42Å; D75-L79 PolarHBondContact O-N 3.21Å; D75-Y98 HydrophobicContact CB-CD2 4.31Å; D75-Y98 HydrophobicContact CB-CE2 3.48Å; D75-Y98 VanDerWaalsContact CB-CE2 3.48Å; D75-Y98 WeakPolarHBondContact OD2-CE2 3.37Å; D75-Y98 PolarHBondContact OD2-OH 2.7Å
76F89.6Confident86.8Confident0 Ų056.4 Ų56.40%026%0.257CS..Hα-helixtrans-65.5-39.6-175.9-171.2-83.9000111.1F72 R73 N74 L80 N91 V94 F118 L122 I139F72-F76 WeakPolarHBondContact O-CB 3.38Å; F72-F76 PolarHBondContact O-N 3.1Å; R73-F76 PolarHBondContact O-N 2.86Å; N74-F76 PolarHBondContact O-N 3.46Å; F76-L80 WeakPolarHBondContact O-CB 3.46Å; F76-L80 PolarHBondContact O-N 3.27Å; F76-N91 WeakPolarHBondContact CZ-OD1 3.23Å; F76-V94 HydrophobicContact CD2-CG1 4.37Å; F76-V94 HydrophobicContact CE1-CG1 4.01Å; F76-V94 HydrophobicContact CE2-CB 4.14Å; F76-V94 HydrophobicContact CE2-CG1 3.72Å; F76-V94 HydrophobicContact CZ-CB 3.84Å; F76-V94 HydrophobicContact CZ-CG1 3.51Å; F76-F118 HydrophobicContact CB-CE1 4.36Å; F76-F118 HydrophobicContact CB-CZ 4.23Å; F76-F118 AromaticContact CD1-CE1 3.63Å; F76-F118 HydrophobicContact CD1-CE1 3.63Å; F76-F118 AromaticContact CD1-CZ 3.95Å; F76-F118 HydrophobicContact CD1-CZ 3.95Å; F76-F118 AromaticContact CD2-CE1 3.94Å; F76-F118 HydrophobicContact CD2-CE1 3.94Å; F76-F118 AromaticContact CE1-CE1 3.8Å; F76-F118 HydrophobicContact CE1-CE1 3.8Å; F76-F118 HydrophobicContact CE1-CZ 4.48Å; F76-F118 HydrophobicContact CE2-CE1 4.09Å; F76-F118 AromaticContact CG-CE1 3.71Å; F76-F118 HydrophobicContact CG-CE1 3.71Å; F76-F118 HydrophobicContact CG-CZ 4.03Å; F76-F118 HydrophobicContact CZ-CE1 4.02Å; F76-L122 HydrophobicContact CD1-CD1 4.41Å; F76-L122 HydrophobicContact CE1-CD1 4.1Å; F76-I139 HydrophobicContact CE1-CD1 3.77Å; F76-I139 HydrophobicContact CZ-CD1 4.02Å
77L87.8Confident86.8Confident23 Ų2358.7 Ų58.712%0.1226%0.263CS..Hα-helixtrans-66.9-40.1172.1-100.666000112.3R73 N74 D75 L80 R81 L122 L127 Y141R73-L77 HydrophobicContact CG-CD1 4.21Å; R73-L77 WeakPolarHBondContact O-CB 3.27Å; R73-L77 PolarHBondContact O-N 3.12Å; N74-L77 PolarHBondContact O-N 3.42Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.01Å; L77-L80 PolarHBondContact O-N 2.79Å; L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 3.17Å; L77-L122 HydrophobicContact CD1-CD2 3.75Å; L77-L127 HydrophobicContact CD1-CD1 4.48Å; L77-L127 HydrophobicContact CD2-CD1 3.94Å; L77-L127 HydrophobicContact CD2-CD2 4.26Å; L77-L127 HydrophobicContact CD2-CG 4.49Å; L77-Y141 HydrophobicContact CD2-CE2 4.15Å; L77-Y141 HydrophobicContact CG-CE2 4.08Å
78E87.7Confident86.9Confident102 Ų10259.7 Ų59.748%0.47727%0.266SS..Hα-helixtrans-62.3-46.6175.8-163.2-147.690.600110.8N74 D75 L80 R81 R82N74-E78 PolarHBondContact O-N 2.77Å; D75-E78 PolarHBondContact O-N 2.82Å; E78-L80 PolarHBondContact O-N 3.15Å; E78-R81 PolarHBondContact O-N 2.91Å; E78-R82 WeakPolarHBondContact O-CB 3.42Å; E78-R82 PolarHBondContact O-N 3.2Å; E78-R82 IonicContact OE1-CZ 2.96Å; E78-R82 IonicContact OE1-NE 3.43Å; E78-R82 IonicContact OE1-NH1 3.84Å; E78-R82 PolarHBondContact OE1-NH1 3.32Å; E78-R82 IonicContact OE1-NH2 2.62Å; E78-R82 PolarHBondContact OE1-NH2 3.21Å
79L89Confident87.1Confident3 Ų359.5 Ų59.52%0.01627%0.266CS..Hα-helixtrans-60.1-46.8176.8-175.469000111.4D75 R82 R83 V94 E97D75-L79 WeakPolarHBondContact O-CB 3.42Å; D75-L79 PolarHBondContact O-N 3.21Å; L79-R82 PolarHBondContact O-N 3.24Å; L79-R83 HydrophobicContact CD1-CG 4.3Å; L79-R83 PolarHBondContact O-N 3.29Å; L79-V94 HydrophobicContact CD2-CG1 4.32Å; L79-E97 HydrophobicContact CD1-CG 4.38Å; L79-E97 HydrophobicContact CD2-CB 4.32Å; L79-E97 HydrophobicContact CD2-CG 4.44Å
80L88.8Confident87.3Confident0 Ų061 Ų610%027%0.273CS..Iπ-helixtrans-60.9-50178.3-171.768.2000110.8F76 L77 E78 F84 G85 V94 I139 Y141F76-L80 WeakPolarHBondContact O-CB 3.46Å; F76-L80 PolarHBondContact O-N 3.27Å; L77-L80 PolarHBondContact O-N 2.79Å; E78-L80 PolarHBondContact O-N 3.15Å; L80-F84 HydrophobicContact CD1-CB 4.13Å; L80-F84 HydrophobicContact CD1-CD2 4.19Å; L80-F84 HydrophobicContact CD1-CG 4.47Å; L80-F84 CarbonylContact O-C 3.6Å; L80-F84 WeakPolarHBondContact O-CA 3.42Å; L80-F84 WeakPolarHBondContact O-CB 3.46Å; L80-F84 PolarHBondContact O-N 3.04Å; L80-G85 PolarHBondContact O-N 3.39Å; L80-V94 HydrophobicContact CD1-CG1 4.14Å; L80-V94 HydrophobicContact CD1-CG2 3.99Å; L80-I139 HydrophobicContact CD1-CD1 3.84Å; L80-I139 HydrophobicContact CD1-CG1 4.45Å; L80-I139 HydrophobicContact CD2-CD1 3.94Å; L80-Y141 HydrophobicContact CD2-CD2 4.06Å; L80-Y141 HydrophobicContact CD2-CG 4.24Å
81R85.6Confident87.3Confident103 Ų10356.2 Ų56.239%0.38925%0.25SS..Iπ-helixtrans-60.6-47177.8-172.3175.9-168.4173.111.3112.1L77 E78 G85 Y141 D143 D145L77-R81 WeakPolarHBondContact O-CB 3.46Å; L77-R81 PolarHBondContact O-N 3.17Å; E78-R81 PolarHBondContact O-N 2.91Å; R81-G85 PolarHBondContact O-N 2.92Å; R81-Y141 HydrophobicContact CB-CE1 4.18Å; R81-Y141 HydrophobicContact CG-CE1 4.01Å; R81-D143 IonicContact CZ-OD1 3.7Å; R81-D143 IonicContact CZ-OD2 2.68Å; R81-D143 IonicContact NE-OD2 2.93Å; R81-D143 IonicContact NH2-OD1 3.18Å; R81-D143 PolarHBondContact NH2-OD1 3.11Å; R81-D143 IonicContact NH2-OD2 2.82Å; R81-D143 PolarHBondContact NH2-OD2 2.8Å; R81-D145 IonicContact CZ-OD2 3.7Å; R81-D145 IonicContact NH1-OD2 3.19Å; R81-D145 PolarHBondContact NH1-OD2 2.81Å; R81-D145 IonicContact NH2-OD2 2.68Å; R81-D145 PolarHBondContact NH2-OD2 3.47Å
82R85Confident87.4Confident147 Ų14756.9 Ų56.956%0.55526%0.256SS*.Iπ-helixtrans-71.4-38-173.8-177.6172.362-148.7-17.9113.8E78 L79E78-R82 WeakPolarHBondContact O-CB 3.42Å; E78-R82 PolarHBondContact O-N 3.2Å; E78-R82 IonicContact OE1-CZ 2.96Å; E78-R82 IonicContact OE1-NE 3.43Å; E78-R82 IonicContact OE1-NH1 3.84Å; E78-R82 PolarHBondContact OE1-NH1 3.32Å; E78-R82 IonicContact OE1-NH2 2.62Å; E78-R82 PolarHBondContact OE1-NH2 3.21Å; L79-R82 PolarHBondContact O-N 3.24Å
83R83.9Confident87.4Confident128 Ų12861.3 Ų61.348%0.48328%0.279SS..Iπ-helixtrans-104.2-38.5-172.8-67.8-175.8176-119.923.7114.4L79 E97L79-R83 HydrophobicContact CD1-CG 4.3Å; L79-R83 PolarHBondContact O-N 3.29Å; R83-E97 VanDerWaalsContact CD-CD 3.44Å; R83-E97 WeakPolarHBondContact CD-OE2 3.36Å; R83-E97 IonicContact CZ-OE1 3.5Å; R83-E97 IonicContact CZ-OE2 3.38Å; R83-E97 IonicContact NE-OE1 3.82Å; R83-E97 IonicContact NE-OE2 3.63Å; R83-E97 IonicContact NH1-OE1 3.25Å; R83-E97 PolarHBondContact NH1-OE1 2.92Å; R83-E97 IonicContact NH1-OE2 2.64Å; R83-E97 IonicContact NH2-OE1 3.79Å; R83-E97 PolarHBondContact NH2-OE1 3.16Å
84F81.8Confident87.5Confident44 Ų4458.6 Ų58.619%0.19327%0.269CS..Iπ-helixtrans-107.8-28.4-172.1-57.9-74.9000112.3L80 K87 V89 I93 V94 E97L80-F84 HydrophobicContact CD1-CB 4.13Å; L80-F84 HydrophobicContact CD1-CD2 4.19Å; L80-F84 HydrophobicContact CD1-CG 4.47Å; L80-F84 CarbonylContact O-C 3.6Å; L80-F84 WeakPolarHBondContact O-CA 3.42Å; L80-F84 WeakPolarHBondContact O-CB 3.46Å; L80-F84 PolarHBondContact O-N 3.04Å; F84-K87 VanDerWaalsContact O-CB 3.25Å; F84-K87 WeakPolarHBondContact O-CB 3.45Å; F84-K87 PolarHBondContact O-N 2.81Å; F84-V89 HydrophobicContact CB-CG2 3.99Å; F84-V89 HydrophobicContact CD1-CB 4.39Å; F84-V89 HydrophobicContact CD1-CG1 3.98Å; F84-V89 HydrophobicContact CD1-CG2 3.63Å; F84-V89 HydrophobicContact CE1-CG1 4.01Å; F84-V89 HydrophobicContact CE1-CG2 4.42Å; F84-V89 HydrophobicContact CG-CG2 4.01Å; F84-I93 HydrophobicContact CZ-CG2 4.41Å; F84-V94 HydrophobicContact CD2-CG1 4.47Å; F84-V94 HydrophobicContact CD2-CG2 4.15Å; F84-V94 HydrophobicContact CE2-CB 4.42Å; F84-V94 HydrophobicContact CE2-CG1 4.22Å; F84-V94 HydrophobicContact CE2-CG2 3.98Å; F84-V94 HydrophobicContact CZ-CG2 4.4Å; F84-E97 WeakPolarHBondContact CE2-OE2 3.34Å; F84-E97 VanDerWaalsContact CZ-OE2 3.24Å; F84-E97 WeakPolarHBondContact CZ-OE2 3.41Å
85G82.6Confident87.4Confident22 Ų2256.9 Ų56.923%0.22726%0.258CS..THydrogen-bonded Turntrans53.1-137.3-174.400000110.5L80 R81 K87 Y141L80-G85 PolarHBondContact O-N 3.39Å; R81-G85 PolarHBondContact O-N 2.92Å; G85-K87 PolarHBondContact O-N 3.02Å; G85-Y141 WeakPolarHBondContact O-CB 3.22Å
86T81.8Confident87.4Confident41 Ų4158.4 Ų58.425%0.25227%0.266SS..THydrogen-bonded Turntrans-85.825.8-179.264.70000113.7Q140 D143 T148 Q152T86-Q140 WeakPolarHBondContact O-CG 3.39Å; T86-Q140 PolarHBondContact O-NE2 3.03Å; T86-D143 HydrophobicContact CG2-CB 3.87Å; T86-T148 HydrophobicContact CG2-CG2 4.25Å; T86-Q152 VanDerWaalsContact CB-NE2 3.3Å; T86-Q152 VanDerWaalsContact CG2-NE2 3.31Å; T86-Q152 PolarHBondContact OG1-NE2 2.67Å
87K84.9Confident87.3Confident143 Ų14360.8 Ų60.862%0.62228%0.277SS*.  trans-81.6145.6173.8-168.2178.3-66.2179.60110.2F84 G85 V89F84-K87 VanDerWaalsContact O-CB 3.25Å; F84-K87 WeakPolarHBondContact O-CB 3.45Å; F84-K87 PolarHBondContact O-N 2.81Å; G85-K87 PolarHBondContact O-N 3.02Å; K87-V89 HydrophobicContact CB-CG2 4.24Å; K87-V89 HydrophobicContact CG-CG2 4.29Å
88R87.2Confident87.3Confident125 Ų12559.9 Ų59.947%0.47227%0.272SS..EExtended strand (participates in β ladder)trans-75119.7169.3-169.3-172.8-166.8-144.15.5109.7D131 Y138 I139 Q140R88-D131 IonicContact CZ-OD2 2.59Å; R88-D131 IonicContact NE-OD2 3.96Å; R88-D131 PolarHBondContact NE-OD2 2.89Å; R88-D131 VanDerWaalsContact NH2-CG 3.26Å; R88-D131 IonicContact NH2-OD2 2.66Å; R88-D131 PolarHBondContact NH2-OD2 3.33Å; R88-Y138 HydrophobicContact CG-CD1 4.24Å; R88-I139 WeakPolarHBondContact CA-O 3.16Å; R88-Q140 HydrophobicContact CB-CB 4.48Å
89V90.9Very high87.2Confident14 Ų1457.6 Ų57.69%0.08526%0.263CS..EExtended strand (participates in β ladder)trans-134.6144.5-172.2-179.60000110.2F84 K87 I93 V94 Y138 I139F84-V89 HydrophobicContact CB-CG2 3.99Å; F84-V89 HydrophobicContact CD1-CB 4.39Å; F84-V89 HydrophobicContact CD1-CG1 3.98Å; F84-V89 HydrophobicContact CD1-CG2 3.63Å; F84-V89 HydrophobicContact CE1-CG1 4.01Å; F84-V89 HydrophobicContact CE1-CG2 4.42Å; F84-V89 HydrophobicContact CG-CG2 4.01Å; K87-V89 HydrophobicContact CB-CG2 4.24Å; K87-V89 HydrophobicContact CG-CG2 4.29Å; V89-I93 HydrophobicContact CG1-CB 4.31Å; V89-V94 HydrophobicContact CB-CG2 4.38Å; V89-V94 HydrophobicContact CG1-CG2 3.76Å; V89-Y138 CarbonylContact O-C 3.56Å; V89-Y138 WeakPolarHBondContact O-CA 3.33Å; V89-I139 PolarHBondContact N-O 2.7Å; V89-I139 PolarHBondContact O-N 2.94Å
90H91.5Very high86.7Confident33 Ų3360.5 Ų60.515%0.15328%0.283CS..EExtended strand (participates in β ladder)trans-73.5129.3176.3-176.6-107.9000110.6N92 I93 K135 W137 Y138H90-N92 VanDerWaalsContact C-N 3.35Å; H90-N92 PolarHBondContact O-N 3.22Å; H90-I93 HydrophobicContact CB-CD1 4Å; H90-I93 HydrophobicContact CB-CG1 4.24Å; H90-I93 VanDerWaalsContact O-CB 3.31Å; H90-I93 WeakPolarHBondContact O-CB 3.24Å; H90-I93 PolarHBondContact O-N 2.89Å; H90-K135 PolarHBondContact NE2-O 2.85Å; H90-W137 PolarHBondContact CD2-O 3.11Å; H90-Y138 HydrophobicContact CB-CD1 4.09Å; H90-Y138 HydrophobicContact CB-CE1 3.73Å; H90-Y138 HydrophobicContact CB-CE2 4.44Å; H90-Y138 AromaticContact CD2-CE2 3.74Å
91N89.6Confident86.2Confident1 Ų164.2 Ų64.21%0.00530%0.3CS..Hα-helixtrans-64.4-35.2-163-165.747.5000114F76 I93 V94 Y95 L115 T119 W137 I139F76-N91 WeakPolarHBondContact CZ-OD1 3.23Å; N91-I93 PolarHBondContact O-N 2.89Å; N91-I93 VanDerWaalsContact O-N 3.12Å; N91-V94 PolarHBondContact O-N 2.82Å; N91-V94 VanDerWaalsContact O-N 3.09Å; N91-Y95 PolarHBondContact O-N 2.8Å; N91-L115 WeakPolarHBondContact ND2-CD1 3.39Å; N91-L115 WeakPolarHBondContact ND2-CG 3.49Å; N91-T119 HydrophobicContact CB-CG2 4.1Å; N91-T119 VanDerWaalsContact CG-CG2 3.45Å; N91-T119 WeakPolarHBondContact ND2-CG2 3.16Å; N91-W137 HydrophobicContact CB-CB 4.46Å; N91-W137 WeakPolarHBondContact CB-O 3.44Å; N91-W137 PolarHBondContact N-O 2.91Å; N91-I139 HydrophobicContact CB-CG1 4.5Å; N91-I139 HydrophobicContact CB-CG2 4.39Å; N91-I139 WeakPolarHBondContact OD1-CD1 3.31Å
92N90Very high85.4Confident82 Ų8265.1 Ų65.144%0.43930%0.304SS..Hα-helixtrans-60.5-23.6175.5-655.5000112.7H90 N96 L115H90-N92 VanDerWaalsContact C-N 3.35Å; H90-N92 PolarHBondContact O-N 3.22Å; N92-N96 WeakPolarHBondContact O-CB 3.14Å; N92-N96 PolarHBondContact O-N 3.48Å; N92-N96 PolarHBondContact O-ND2 3.49Å; N92-N96 VanDerWaalsContact O-ND2 3.14Å; N92-L115 WeakPolarHBondContact OD1-CD2 3.24Å
93I90.4Very high84.8Confident93 Ų9363.8 Ų63.848%0.47730%0.304SS..Hα-helixtrans-71-45.6176.4-56.5176.7000109.7F84 V89 H90 N91 N96 E97F84-I93 HydrophobicContact CZ-CG2 4.41Å; V89-I93 HydrophobicContact CG1-CB 4.31Å; H90-I93 HydrophobicContact CB-CD1 4Å; H90-I93 HydrophobicContact CB-CG1 4.24Å; H90-I93 VanDerWaalsContact O-CB 3.31Å; H90-I93 WeakPolarHBondContact O-CB 3.24Å; H90-I93 PolarHBondContact O-N 2.89Å; N91-I93 PolarHBondContact O-N 2.89Å; N91-I93 VanDerWaalsContact O-N 3.12Å; I93-N96 PolarHBondContact O-N 3.25Å; I93-E97 PolarHBondContact O-N 3.24Å
94V89.8Confident84.7Confident0 Ų058.3 Ų58.30%028%0.284CS..Hα-helixtrans-65.4-43.7178.4-1690000110.3F76 L79 L80 F84 V89 N91 E97 Y98 I139F76-V94 HydrophobicContact CD2-CG1 4.37Å; F76-V94 HydrophobicContact CE1-CG1 4.01Å; F76-V94 HydrophobicContact CE2-CB 4.14Å; F76-V94 HydrophobicContact CE2-CG1 3.72Å; F76-V94 HydrophobicContact CZ-CB 3.84Å; F76-V94 HydrophobicContact CZ-CG1 3.51Å; L79-V94 HydrophobicContact CD2-CG1 4.32Å; L80-V94 HydrophobicContact CD1-CG1 4.14Å; L80-V94 HydrophobicContact CD1-CG2 3.99Å; F84-V94 HydrophobicContact CD2-CG1 4.47Å; F84-V94 HydrophobicContact CD2-CG2 4.15Å; F84-V94 HydrophobicContact CE2-CB 4.42Å; F84-V94 HydrophobicContact CE2-CG1 4.22Å; F84-V94 HydrophobicContact CE2-CG2 3.98Å; F84-V94 HydrophobicContact CZ-CG2 4.4Å; V89-V94 HydrophobicContact CB-CG2 4.38Å; V89-V94 HydrophobicContact CG1-CG2 3.76Å; N91-V94 PolarHBondContact O-N 2.82Å; N91-V94 VanDerWaalsContact O-N 3.09Å; V94-E97 PolarHBondContact O-N 3.07Å; V94-Y98 PolarHBondContact O-N 3.34Å; V94-I139 HydrophobicContact CG2-CD1 4.3Å
95Y89Confident84.8Confident23 Ų2356.8 Ų56.89%0.0928%0.277CS..Hα-helixtrans-65.1-42.4175.6-171.7-98.1000112.9F72 N91 E97 Y98 I99 M107 L115F72-Y95 HydrophobicContact CE2-CE2 4.05Å; F72-Y95 HydrophobicContact CZ-CD2 4.42Å; F72-Y95 HydrophobicContact CZ-CE2 4.09Å; N91-Y95 PolarHBondContact O-N 2.8Å; Y95-E97 PolarHBondContact O-N 3.09Å; Y95-Y98 HydrophobicContact CE2-CD1 4.47Å; Y95-Y98 WeakPolarHBondContact O-CB 3.5Å; Y95-Y98 PolarHBondContact O-N 3.2Å; Y95-I99 HydrophobicContact CD1-CD1 4.47Å; Y95-I99 HydrophobicContact CD1-CG2 4.09Å; Y95-I99 HydrophobicContact CE1-CD1 4.3Å; Y95-I99 HydrophobicContact CE1-CG2 3.57Å; Y95-I99 HydrophobicContact CE2-CG2 4.19Å; Y95-I99 PolarHBondContact O-N 2.86Å; Y95-M107 HydrophobicContact CD2-CE 4.1Å; Y95-M107 HydrophobicContact CD2-SD 4.31Å; Y95-M107 HydrophobicContact CE1-CE 4.12Å; Y95-M107 HydrophobicContact CE2-CB 4.1Å; Y95-M107 HydrophobicContact CE2-CE 3.49Å; Y95-M107 VanDerWaalsContact CE2-CE 3.49Å; Y95-M107 HydrophobicContact CE2-SD 3.78Å; Y95-L115 HydrophobicContact CD1-CD2 4.26Å; Y95-L115 HydrophobicContact CD2-CD1 3.73Å; Y95-L115 HydrophobicContact CD2-CD2 4.48Å; Y95-L115 HydrophobicContact CE2-CD1 4.48Å; Y95-L115 HydrophobicContact CG-CD1 3.96Å; Y95-L115 HydrophobicContact CG-CD2 3.89Å
96N87.8Confident84.7Confident100 Ų10059.9 Ų59.954%0.53529%0.286SS..Hα-helixtrans-63.7-30.1175.7-77.5-21.8000112.7N92 I93 I99N92-N96 WeakPolarHBondContact O-CB 3.14Å; N92-N96 PolarHBondContact O-N 3.48Å; N92-N96 PolarHBondContact O-ND2 3.49Å; N92-N96 VanDerWaalsContact O-ND2 3.14Å; I93-N96 PolarHBondContact O-N 3.25Å; N96-I99 WeakPolarHBondContact O-CG1 3.34Å
97E88.4Confident84.6Confident49 Ų4958.6 Ų58.623%0.22928%0.277CS..Hα-helixtrans-78.9-34.9173.4-167.7158.8-128.200112.1L79 R83 F84 I93 V94 Y95 S100 H101L79-E97 HydrophobicContact CD1-CG 4.38Å; L79-E97 HydrophobicContact CD2-CB 4.32Å; L79-E97 HydrophobicContact CD2-CG 4.44Å; R83-E97 VanDerWaalsContact CD-CD 3.44Å; R83-E97 WeakPolarHBondContact CD-OE2 3.36Å; R83-E97 IonicContact CZ-OE1 3.5Å; R83-E97 IonicContact CZ-OE2 3.38Å; R83-E97 IonicContact NE-OE1 3.82Å; R83-E97 IonicContact NE-OE2 3.63Å; R83-E97 IonicContact NH1-OE1 3.25Å; R83-E97 PolarHBondContact NH1-OE1 2.92Å; R83-E97 IonicContact NH1-OE2 2.64Å; R83-E97 IonicContact NH2-OE1 3.79Å; R83-E97 PolarHBondContact NH2-OE1 3.16Å; F84-E97 WeakPolarHBondContact CE2-OE2 3.34Å; F84-E97 VanDerWaalsContact CZ-OE2 3.24Å; F84-E97 WeakPolarHBondContact CZ-OE2 3.41Å; I93-E97 PolarHBondContact O-N 3.24Å; V94-E97 PolarHBondContact O-N 3.07Å; Y95-E97 PolarHBondContact O-N 3.09Å; E97-S100 VanDerWaalsContact O-CB 3.31Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.45Å; E97-S100 PolarHBondContact O-OG 3.49Å; E97-H101 PolarHBondContact O-CD2 3.47Å
98Y87Confident84.2Confident4 Ų457.7 Ų57.72%0.01628%0.279CS..Hα-helixtrans-59-51.8171.3179.5-117.5000111.7F72 D75 V94 Y95 S100 H101 H104 I105F72-Y98 HydrophobicContact CD2-CD1 4.34Å; F72-Y98 AromaticContact CD2-CE1 3.45Å; F72-Y98 HydrophobicContact CD2-CE1 3.45Å; F72-Y98 VanDerWaalsContact CD2-CE1 3.45Å; F72-Y98 AromaticContact CD2-CZ 3.95Å; F72-Y98 AromaticContact CE2-CD1 3.92Å; F72-Y98 HydrophobicContact CE2-CD1 3.92Å; F72-Y98 AromaticContact CE2-CE1 3.46Å; F72-Y98 HydrophobicContact CE2-CE1 3.46Å; F72-Y98 VanDerWaalsContact CE2-CE1 3.46Å; D75-Y98 HydrophobicContact CB-CD2 4.31Å; D75-Y98 HydrophobicContact CB-CE2 3.48Å; D75-Y98 VanDerWaalsContact CB-CE2 3.48Å; D75-Y98 WeakPolarHBondContact OD2-CE2 3.37Å; D75-Y98 PolarHBondContact OD2-OH 2.7Å; V94-Y98 PolarHBondContact O-N 3.34Å; Y95-Y98 HydrophobicContact CE2-CD1 4.47Å; Y95-Y98 WeakPolarHBondContact O-CB 3.5Å; Y95-Y98 PolarHBondContact O-N 3.2Å; Y98-S100 PolarHBondContact O-N 3.11Å; Y98-H101 WeakPolarHBondContact O-CB 3.14Å; Y98-H101 PolarHBondContact O-N 2.84Å; Y98-H104 HydrophobicContact CD1-CB 4.22Å; Y98-H104 HydrophobicContact CD2-CB 4.46Å; Y98-H104 HydrophobicContact CE1-CB 3.75Å; Y98-H104 HydrophobicContact CE2-CB 3.98Å; Y98-I105 WeakPolarHBondContact CE1-O 3.36Å; Y98-I105 PolarHBondContact OH-N 2.99Å
99I85.5Confident83.7Confident55 Ų5552.7 Ų52.728%0.28226%0.264SS..THydrogen-bonded Turntrans-67.1-6.8178.870.3-177.6000114.2Y95 N96 H101 H104Y95-I99 HydrophobicContact CD1-CD1 4.47Å; Y95-I99 HydrophobicContact CD1-CG2 4.09Å; Y95-I99 HydrophobicContact CE1-CD1 4.3Å; Y95-I99 HydrophobicContact CE1-CG2 3.57Å; Y95-I99 HydrophobicContact CE2-CG2 4.19Å; Y95-I99 PolarHBondContact O-N 2.86Å; N96-I99 WeakPolarHBondContact O-CG1 3.34Å; I99-H101 VanDerWaalsContact C-N 3.31Å; I99-H104 VanDerWaalsContact CA-CE1 3.48Å; I99-H104 WeakPolarHBondContact CA-CE1 3.46Å; I99-H104 WeakPolarHBondContact CA-ND1 3.14Å; I99-H104 PolarHBondContact O-CE1 2.8Å; I99-H104 PolarHBondContact O-ND1 3.29Å
100S79.5Confident83.3Confident64 Ų6452.2 Ų52.245%0.44826%0.261SS..THydrogen-bonded Turntrans-75-21.817183.10000112.9E97 Y98E97-S100 VanDerWaalsContact O-CB 3.31Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.45Å; E97-S100 PolarHBondContact O-OG 3.49Å; Y98-S100 PolarHBondContact O-N 3.11Å
101H77.8Confident83Confident77 Ų7755.2 Ų55.236%0.35628%0.276SS..SBendtrans-73.8138.2172.8-70.4-94.9000110.3E97 Y98 I99 E103 H104E97-H101 PolarHBondContact O-CD2 3.47Å; Y98-H101 WeakPolarHBondContact O-CB 3.14Å; Y98-H101 PolarHBondContact O-N 2.84Å; I99-H101 VanDerWaalsContact C-N 3.31Å; H101-E103 VanDerWaalsContact C-N 3.35Å; H101-E103 PolarHBondContact O-N 2.92Å; H101-H104 PolarHBondContact O-ND1 2.91Å
102R69.3Low82.9Confident123 Ų12355.7 Ų55.746%0.46428%0.277SS..THydrogen-bonded Turntrans-76.5-20.4-169.3-160.8-169.569.5123.1-3.8114.3
103E72.5Confident82.5Confident118 Ų11860.1 Ų60.155%0.55130%0.296SS*.THydrogen-bonded Turntrans-109.419.2-179.6-79.2107.2-131.200112.5H101H101-E103 VanDerWaalsContact C-N 3.35Å; H101-E103 PolarHBondContact O-N 2.92Å
104H82.1Confident82.4Confident13 Ų1358.4 Ų58.46%0.0629%0.29CS..PPolyproline II helixtrans-63.9146.9177.976.5-100.8000112.7L24 Y98 I99 H101L24-H104 VanDerWaalsContact CD1-CE1 3.44Å; L24-H104 WeakPolarHBondContact CD1-CE1 3.48Å; Y98-H104 HydrophobicContact CD1-CB 4.22Å; Y98-H104 HydrophobicContact CD2-CB 4.46Å; Y98-H104 HydrophobicContact CE1-CB 3.75Å; Y98-H104 HydrophobicContact CE2-CB 3.98Å; I99-H104 VanDerWaalsContact CA-CE1 3.48Å; I99-H104 WeakPolarHBondContact CA-CE1 3.46Å; I99-H104 WeakPolarHBondContact CA-ND1 3.14Å; I99-H104 PolarHBondContact O-CE1 2.8Å; I99-H104 PolarHBondContact O-ND1 3.29Å; H101-H104 PolarHBondContact O-ND1 2.91Å
105I83Confident82.2Confident12 Ų1259.6 Ų59.66%0.06230%0.296CS..PPolyproline II helixtrans-81.3121.9171.8-60.4176.9000108.1F68 E71 F72 Y98 M107 A109 T110F68-I105 HydrophobicContact CB-CD1 4.44Å; F68-I105 HydrophobicContact CB-CG2 4.22Å; F68-I105 HydrophobicContact CD1-CD1 4.15Å; F68-I105 WeakPolarHBondContact O-CD1 3.41Å; E71-I105 HydrophobicContact CB-CD1 3.5Å; F72-I105 HydrophobicContact CB-CB 4.33Å; F72-I105 HydrophobicContact CB-CD1 4.43Å; F72-I105 HydrophobicContact CB-CG2 4.43Å; F72-I105 HydrophobicContact CD2-CB 4.35Å; Y98-I105 WeakPolarHBondContact CE1-O 3.36Å; Y98-I105 PolarHBondContact OH-N 2.99Å; I105-M107 PolarHBondContact O-N 2.69Å; I105-A109 HydrophobicContact CG2-CB 4.28Å; I105-T110 HydrophobicContact CG2-CG2 3.91Å
106H80.3Confident82.2Confident87 Ų8760.7 Ų60.740%0.40331%0.305SS..PPolyproline II helixtrans-70.5133.7175.4-164.8-88.6000110N108 A109H106-N108 PolarHBondContact CE1-OD1 2.88Å; H106-N108 PolarHBondContact ND1-OD1 3.44Å; H106-N108 VanDerWaalsContact ND1-OD1 3.12Å; H106-N108 PolarHBondContact O-N 3.02Å; H106-N108 VanDerWaalsContact O-N 3.08Å; H106-A109 WeakPolarHBondContact O-CB 3.47Å; H106-A109 PolarHBondContact O-N 3.18Å
107M80.1Confident82.3Confident14 Ų1458.7 Ų58.77%0.06929%0.294CS..G310 helixtrans-55.5-33.2-170.5-169.815152.800114.4F72 Y95 I105 A109 T110 W112 L115F72-M107 HydrophobicContact CE2-CB 4.33Å; F72-M107 HydrophobicContact CZ-CB 4.38Å; F72-M107 HydrophobicContact CZ-CG 4.17Å; F72-M107 HydrophobicContact CZ-SD 3.9Å; Y95-M107 HydrophobicContact CD2-CE 4.1Å; Y95-M107 HydrophobicContact CD2-SD 4.31Å; Y95-M107 HydrophobicContact CE1-CE 4.12Å; Y95-M107 HydrophobicContact CE2-CB 4.1Å; Y95-M107 HydrophobicContact CE2-CE 3.49Å; Y95-M107 VanDerWaalsContact CE2-CE 3.49Å; Y95-M107 HydrophobicContact CE2-SD 3.78Å; I105-M107 PolarHBondContact O-N 2.69Å; M107-A109 PolarHBondContact O-N 2.91Å; M107-T110 WeakPolarHBondContact O-CB 3.32Å; M107-T110 PolarHBondContact O-N 3.39Å; M107-T110 PolarHBondContact O-OG1 3.14Å; M107-W112 WeakPolarHBondContact CG-O 3.25Å; M107-L115 HydrophobicContact CE-CB 3.58Å; M107-L115 HydrophobicContact CE-CD1 3.99Å; M107-L115 HydrophobicContact CE-CG 4.26Å; M107-L115 HydrophobicContact SD-CB 4.09Å; M107-L115 HydrophobicContact SD-CD1 3.82Å
108N76.8Confident82.4Confident124 Ų12456.4 Ų56.466%0.66328%0.283SS*.G310 helixtrans-58.7-10.5171.2-57.642.1000115.1H106H106-N108 PolarHBondContact CE1-OD1 2.88Å; H106-N108 PolarHBondContact ND1-OD1 3.44Å; H106-N108 VanDerWaalsContact ND1-OD1 3.12Å; H106-N108 PolarHBondContact O-N 3.02Å; H106-N108 VanDerWaalsContact O-N 3.08Å
109A76.9Confident82.5Confident20 Ų2056.2 Ų56.217%0.16528%0.283CS..G310 helixtrans-101.414.617400000112.6Q29 F68 I105 H106 M107Q29-A109 HydrophobicContact CG-CB 3.98Å; F68-A109 WeakPolarHBondContact CB-O 3.31Å; I105-A109 HydrophobicContact CG2-CB 4.28Å; H106-A109 WeakPolarHBondContact O-CB 3.47Å; H106-A109 PolarHBondContact O-N 3.18Å; M107-A109 PolarHBondContact O-N 2.91Å
110T82.4Confident82.7Confident4 Ų457.9 Ų57.93%0.02529%0.288CS..SBendtrans-124167.9177.474.10000109.9M65 F72 I105 M107 W112M65-T110 VanDerWaalsContact CE-C 3.45Å; M65-T110 WeakPolarHBondContact CE-O 3.42Å; F72-T110 HydrophobicContact CB-CG2 3.75Å; F72-T110 HydrophobicContact CD1-CG2 4.23Å; F72-T110 HydrophobicContact CD2-CG2 4.13Å; F72-T110 HydrophobicContact CG-CG2 3.79Å; I105-T110 HydrophobicContact CG2-CG2 3.91Å; M107-T110 WeakPolarHBondContact O-CB 3.32Å; M107-T110 PolarHBondContact O-N 3.39Å; M107-T110 PolarHBondContact O-OG1 3.14Å; T110-W112 HydrophobicContact CG2-CE3 4.47Å; T110-W112 PolarHBondContact O-N 3.22Å; T110-W112 PolarHBondContact OG1-N 3.43Å
111Q85Confident83.2Confident96 Ų9656.9 Ų56.945%0.44927%0.274SS..SBendtrans-63.6-4.6177.171.8-178.7-7300115M65 S69M65-Q111 HydrophobicContact CG-CB 4.48Å; S69-Q111 PolarHBondContact OG-N 3.3Å
112W87.3Confident83.8Confident11 Ų1153.2 Ų53.24%0.04226%0.257CS..  trans-110.199-177.7-50.3-71.3000111S69 F72 R73 M107 T110 T114 F118 W121S69-W112 WeakPolarHBondContact O-CH2 3.37Å; S69-W112 WeakPolarHBondContact O-CZ3 3.31Å; F72-W112 AromaticContact CD1-CE3 3.93Å; F72-W112 HydrophobicContact CD1-CE3 3.93Å; F72-W112 AromaticContact CD1-CZ3 3.66Å; F72-W112 HydrophobicContact CD1-CZ3 3.66Å; F72-W112 HydrophobicContact CE1-CE3 4.08Å; F72-W112 HydrophobicContact CE1-CZ3 4.23Å; R73-W112 HydrophobicContact CB-CH2 4.34Å; M107-W112 WeakPolarHBondContact CG-O 3.25Å; T110-W112 HydrophobicContact CG2-CE3 4.47Å; T110-W112 PolarHBondContact O-N 3.22Å; T110-W112 PolarHBondContact OG1-N 3.43Å; W112-T114 PolarHBondContact O-N 3.28Å; W112-F118 HydrophobicContact CB-CB 3.92Å; W112-F118 HydrophobicContact CD2-CB 4.21Å; W112-F118 AromaticContact CD2-CD2 3.53Å; W112-F118 HydrophobicContact CD2-CD2 3.53Å; W112-F118 HydrophobicContact CD2-CE2 4.33Å; W112-F118 HydrophobicContact CD2-CG 4.26Å; W112-F118 AromaticContact CE2-CD2 3.74Å; W112-F118 AromaticContact CE3-CD2 3.6Å; W112-F118 HydrophobicContact CE3-CD2 3.6Å; W112-F118 HydrophobicContact CE3-CE2 4.06Å; W112-F118 HydrophobicContact CE3-CG 4.37Å; W112-F118 HydrophobicContact CG-CB 3.86Å; W112-F118 HydrophobicContact CG-CD2 4.08Å; W112-F118 HydrophobicContact CG-CG 4.42Å; W112-F118 HydrophobicContact CH2-CD2 4.13Å; W112-F118 AromaticContact CH2-CE2 3.99Å; W112-F118 HydrophobicContact CH2-CE2 3.99Å; W112-F118 HydrophobicContact CZ2-CD2 4.05Å; W112-F118 HydrophobicContact CZ2-CE2 4.25Å; W112-F118 AromaticContact CZ3-CD2 3.92Å; W112-F118 HydrophobicContact CZ3-CD2 3.92Å; W112-F118 AromaticContact CZ3-CE2 3.9Å; W112-F118 HydrophobicContact CZ3-CE2 3.9Å; W112-W121 AromaticContact CE2-CD2 3.85Å; W112-W121 AromaticContact CE2-CG 4Å; W112-W121 HydrophobicContact CH2-CE3 4.34Å; W112-W121 HydrophobicContact CH2-CH2 4.39Å; W112-W121 HydrophobicContact CH2-CZ3 4.21Å; W112-W121 AromaticContact CZ2-CD2 3.53Å; W112-W121 HydrophobicContact CZ2-CD2 3.53Å; W112-W121 AromaticContact CZ2-CE2 3.71Å; W112-W121 AromaticContact CZ2-CE3 3.53Å; W112-W121 HydrophobicContact CZ2-CE3 3.53Å; W112-W121 HydrophobicContact CZ2-CG 4.16Å; W112-W121 AromaticContact CZ2-CH2 3.96Å; W112-W121 HydrophobicContact CZ2-CH2 3.96Å; W112-W121 AromaticContact CZ2-CZ2 3.93Å; W112-W121 HydrophobicContact CZ2-CZ2 3.93Å; W112-W121 AromaticContact CZ2-CZ3 3.76Å; W112-W121 HydrophobicContact CZ2-CZ3 3.76Å; W112-W121 AromaticContact NE1-CD1 3.64Å; W112-W121 AromaticContact NE1-CD2 3.66Å; W112-W121 AromaticContact NE1-CG 3.3Å; W112-W121 VanDerWaalsContact NE1-CG 3.3Å
113E82.2Confident84.8Confident176 Ų17648.9 Ų48.982%0.82225%0.251SS*.SBendtrans-62-31.2177.3-64.3-175.1-176.200113.1
114T87.1Confident85.6Confident57 Ų5752.3 Ų52.335%0.3526%0.259SS..SBendtrans-123.8147.3178.593.80000112.4W112 T116 D117 F118W112-T114 PolarHBondContact O-N 3.28Å; T114-T116 PolarHBondContact O-N 3.17Å; T114-T116 VanDerWaalsContact O-N 3.16Å; T114-T116 PolarHBondContact OG1-N 2.98Å; T114-D117 WeakPolarHBondContact CG2-OD2 3.4Å; T114-D117 PolarHBondContact O-N 2.89Å; T114-D117 PolarHBondContact OG1-N 2.71Å; T114-D117 PolarHBondContact OG1-OD2 2.86Å; T114-F118 PolarHBondContact O-N 3.33Å
115L86.6Confident85.8Confident25 Ų2555.5 Ų55.513%0.13127%0.274CS..Hα-helixtrans-58.2-27.9174.7-170.553.2000112.9N91 N92 Y95 M107 F118 T119N91-L115 WeakPolarHBondContact ND2-CD1 3.39Å; N91-L115 WeakPolarHBondContact ND2-CG 3.49Å; N92-L115 WeakPolarHBondContact OD1-CD2 3.24Å; Y95-L115 HydrophobicContact CD1-CD2 4.26Å; Y95-L115 HydrophobicContact CD2-CD1 3.73Å; Y95-L115 HydrophobicContact CD2-CD2 4.48Å; Y95-L115 HydrophobicContact CE2-CD1 4.48Å; Y95-L115 HydrophobicContact CG-CD1 3.96Å; Y95-L115 HydrophobicContact CG-CD2 3.89Å; M107-L115 HydrophobicContact CE-CB 3.58Å; M107-L115 HydrophobicContact CE-CD1 3.99Å; M107-L115 HydrophobicContact CE-CG 4.26Å; M107-L115 HydrophobicContact SD-CB 4.09Å; M107-L115 HydrophobicContact SD-CD1 3.82Å; L115-F118 HydrophobicContact CD1-CD1 4.33Å; L115-T119 PolarHBondContact O-N 3.19Å; L115-T119 VanDerWaalsContact O-N 3.17Å
116T88.5Confident85.9Confident46 Ų4656.1 Ų56.128%0.28228%0.283SS..Hα-helixtrans-74.5-31.3178-62.80000111.9T114 T119 K120 W137T114-T116 PolarHBondContact O-N 3.17Å; T114-T116 VanDerWaalsContact O-N 3.16Å; T114-T116 PolarHBondContact OG1-N 2.98Å; T116-T119 PolarHBondContact O-OG1 3.49Å; T116-K120 VanDerWaalsContact O-CG 3.27Å; T116-K120 WeakPolarHBondContact O-CG 3.48Å; T116-K120 PolarHBondContact O-N 3.05Å; T116-K120 VanDerWaalsContact O-N 3.11Å; T116-W137 HydrophobicContact CG2-CD2 4.39Å; T116-W137 HydrophobicContact CG2-CZ2 3.91Å
117D89.6Confident86.1Confident58 Ų5853.1 Ų53.131%0.3127%0.269SS..Hα-helixtrans-81-29.7177.6-58.5-53.3000111.5T114 K120 W121T114-D117 WeakPolarHBondContact CG2-OD2 3.4Å; T114-D117 PolarHBondContact O-N 2.89Å; T114-D117 PolarHBondContact OG1-N 2.71Å; T114-D117 PolarHBondContact OG1-OD2 2.86Å; D117-K120 IonicContact OD1-NZ 3.97Å; D117-K120 PolarHBondContact OD1-NZ 2.77Å; D117-W121 VanDerWaalsContact O-CB 3.28Å; D117-W121 WeakPolarHBondContact O-CB 3.46Å; D117-W121 PolarHBondContact O-N 3.43Å
118F90.2Very high86.4Confident0 Ų052.6 Ų52.60%027%0.267CS..Hα-helixtrans-62-42.9165.2-179.1-126.5000112.5F72 F76 W112 T114 L115 W121 L122F72-F118 HydrophobicContact CD1-CE1 4.42Å; F72-F118 HydrophobicContact CD1-CE2 4.09Å; F72-F118 HydrophobicContact CD1-CZ 4.01Å; F72-F118 AromaticContact CE1-CD1 3.78Å; F72-F118 HydrophobicContact CE1-CD1 3.78Å; F72-F118 HydrophobicContact CE1-CD2 4.02Å; F72-F118 AromaticContact CE1-CE1 3.56Å; F72-F118 HydrophobicContact CE1-CE1 3.56Å; F72-F118 AromaticContact CE1-CE2 3.82Å; F72-F118 HydrophobicContact CE1-CE2 3.82Å; F72-F118 AromaticContact CE1-CG 4Å; F72-F118 HydrophobicContact CE1-CG 4Å; F72-F118 AromaticContact CE1-CZ 3.58Å; F72-F118 HydrophobicContact CE1-CZ 3.58Å; F72-F118 HydrophobicContact CZ-CD1 4.32Å; F72-F118 HydrophobicContact CZ-CE1 4.22Å; F76-F118 HydrophobicContact CB-CE1 4.36Å; F76-F118 HydrophobicContact CB-CZ 4.23Å; F76-F118 AromaticContact CD1-CE1 3.63Å; F76-F118 HydrophobicContact CD1-CE1 3.63Å; F76-F118 AromaticContact CD1-CZ 3.95Å; F76-F118 HydrophobicContact CD1-CZ 3.95Å; F76-F118 AromaticContact CD2-CE1 3.94Å; F76-F118 HydrophobicContact CD2-CE1 3.94Å; F76-F118 AromaticContact CE1-CE1 3.8Å; F76-F118 HydrophobicContact CE1-CE1 3.8Å; F76-F118 HydrophobicContact CE1-CZ 4.48Å; F76-F118 HydrophobicContact CE2-CE1 4.09Å; F76-F118 AromaticContact CG-CE1 3.71Å; F76-F118 HydrophobicContact CG-CE1 3.71Å; F76-F118 HydrophobicContact CG-CZ 4.03Å; F76-F118 HydrophobicContact CZ-CE1 4.02Å; W112-F118 HydrophobicContact CB-CB 3.92Å; W112-F118 HydrophobicContact CD2-CB 4.21Å; W112-F118 AromaticContact CD2-CD2 3.53Å; W112-F118 HydrophobicContact CD2-CD2 3.53Å; W112-F118 HydrophobicContact CD2-CE2 4.33Å; W112-F118 HydrophobicContact CD2-CG 4.26Å; W112-F118 AromaticContact CE2-CD2 3.74Å; W112-F118 AromaticContact CE3-CD2 3.6Å; W112-F118 HydrophobicContact CE3-CD2 3.6Å; W112-F118 HydrophobicContact CE3-CE2 4.06Å; W112-F118 HydrophobicContact CE3-CG 4.37Å; W112-F118 HydrophobicContact CG-CB 3.86Å; W112-F118 HydrophobicContact CG-CD2 4.08Å; W112-F118 HydrophobicContact CG-CG 4.42Å; W112-F118 HydrophobicContact CH2-CD2 4.13Å; W112-F118 AromaticContact CH2-CE2 3.99Å; W112-F118 HydrophobicContact CH2-CE2 3.99Å; W112-F118 HydrophobicContact CZ2-CD2 4.05Å; W112-F118 HydrophobicContact CZ2-CE2 4.25Å; W112-F118 AromaticContact CZ3-CD2 3.92Å; W112-F118 HydrophobicContact CZ3-CD2 3.92Å; W112-F118 AromaticContact CZ3-CE2 3.9Å; W112-F118 HydrophobicContact CZ3-CE2 3.9Å; T114-F118 PolarHBondContact O-N 3.33Å; L115-F118 HydrophobicContact CD1-CD1 4.33Å; F118-W121 HydrophobicContact CD2-CE3 4.31Å; F118-W121 HydrophobicContact CE2-CE3 4.26Å; F118-W121 HydrophobicContact CE2-CZ3 4.44Å; F118-W121 WeakPolarHBondContact O-CB 3.18Å; F118-W121 PolarHBondContact O-N 2.87Å; F118-L122 HydrophobicContact CD1-CD1 3.99Å; F118-L122 HydrophobicContact CD2-CD1 4.49Å; F118-L122 HydrophobicContact CD2-CG 4.26Å; F118-L122 HydrophobicContact CE1-CD1 3.59Å; F118-L122 HydrophobicContact CE1-CG 4.29Å; F118-L122 HydrophobicContact CE2-CD1 4.14Å; F118-L122 HydrophobicContact CE2-CD2 4.12Å; F118-L122 HydrophobicContact CE2-CG 3.92Å; F118-L122 HydrophobicContact CG-CD1 4.43Å; F118-L122 HydrophobicContact CZ-CD1 3.68Å; F118-L122 HydrophobicContact CZ-CD2 4.06Å; F118-L122 HydrophobicContact CZ-CG 3.93Å; F118-L122 WeakPolarHBondContact O-CG 3.41Å; F118-L122 PolarHBondContact O-N 3.43Å
119T89.4Confident87Confident0 Ų052.6 Ų52.60%026%0.261CS..Hα-helixtrans-66.5-43.2175.553.80000112.6N91 L115 T116 W121 L122 G123 I139N91-T119 HydrophobicContact CB-CG2 4.1Å; N91-T119 VanDerWaalsContact CG-CG2 3.45Å; N91-T119 WeakPolarHBondContact ND2-CG2 3.16Å; L115-T119 PolarHBondContact O-N 3.19Å; L115-T119 VanDerWaalsContact O-N 3.17Å; T116-T119 PolarHBondContact O-OG1 3.49Å; T119-W121 PolarHBondContact O-N 3.32Å; T119-L122 PolarHBondContact O-N 2.87Å; T119-G123 PolarHBondContact O-N 2.85Å; T119-I139 HydrophobicContact CG2-CG2 3.73Å
120K89.4Confident87.7Confident90 Ų9053.4 Ų53.439%0.39126%0.264SS..Hα-helixtrans-58.3-31.3172.4-68.8168-165.3158.60112.2T116 D117 R124 W137T116-K120 VanDerWaalsContact O-CG 3.27Å; T116-K120 WeakPolarHBondContact O-CG 3.48Å; T116-K120 PolarHBondContact O-N 3.05Å; T116-K120 VanDerWaalsContact O-N 3.11Å; D117-K120 IonicContact OD1-NZ 3.97Å; D117-K120 PolarHBondContact OD1-NZ 2.77Å; K120-R124 WeakPolarHBondContact O-CG 3.29Å; K120-R124 PolarHBondContact O-N 2.61Å; K120-R124 PolarHBondContact O-NE 2.78Å; K120-W137 HydrophobicContact CG-CH2 4.44Å
121W91.1Very high88.1Confident44 Ų4456 Ų5617%0.16728%0.278CS..Hα-helixtrans-75.8-47.6176.3-175.393.6000112R73 W112 D117 F118 T119 G123 R124 E125R73-W121 VanDerWaalsContact CD-CH2 3.5Å; R73-W121 HydrophobicContact CG-CH2 4.32Å; R73-W121 HydrophobicContact CG-CZ3 3.95Å; W112-W121 AromaticContact CE2-CD2 3.85Å; W112-W121 AromaticContact CE2-CG 4Å; W112-W121 HydrophobicContact CH2-CE3 4.34Å; W112-W121 HydrophobicContact CH2-CH2 4.39Å; W112-W121 HydrophobicContact CH2-CZ3 4.21Å; W112-W121 AromaticContact CZ2-CD2 3.53Å; W112-W121 HydrophobicContact CZ2-CD2 3.53Å; W112-W121 AromaticContact CZ2-CE2 3.71Å; W112-W121 AromaticContact CZ2-CE3 3.53Å; W112-W121 HydrophobicContact CZ2-CE3 3.53Å; W112-W121 HydrophobicContact CZ2-CG 4.16Å; W112-W121 AromaticContact CZ2-CH2 3.96Å; W112-W121 HydrophobicContact CZ2-CH2 3.96Å; W112-W121 AromaticContact CZ2-CZ2 3.93Å; W112-W121 HydrophobicContact CZ2-CZ2 3.93Å; W112-W121 AromaticContact CZ2-CZ3 3.76Å; W112-W121 HydrophobicContact CZ2-CZ3 3.76Å; W112-W121 AromaticContact NE1-CD1 3.64Å; W112-W121 AromaticContact NE1-CD2 3.66Å; W112-W121 AromaticContact NE1-CG 3.3Å; W112-W121 VanDerWaalsContact NE1-CG 3.3Å; D117-W121 VanDerWaalsContact O-CB 3.28Å; D117-W121 WeakPolarHBondContact O-CB 3.46Å; D117-W121 PolarHBondContact O-N 3.43Å; F118-W121 HydrophobicContact CD2-CE3 4.31Å; F118-W121 HydrophobicContact CE2-CE3 4.26Å; F118-W121 HydrophobicContact CE2-CZ3 4.44Å; F118-W121 WeakPolarHBondContact O-CB 3.18Å; F118-W121 PolarHBondContact O-N 2.87Å; T119-W121 PolarHBondContact O-N 3.32Å; W121-G123 PolarHBondContact O-N 3.09Å; W121-R124 WeakPolarHBondContact O-CA 3.2Å; W121-R124 PolarHBondContact O-N 2.93Å; W121-E125 HydrophobicContact CD2-CG 4.33Å; W121-E125 HydrophobicContact CE3-CG 4.36Å; W121-E125 HydrophobicContact CH2-CG 3.81Å; W121-E125 WeakPolarHBondContact CH2-OE2 3.48Å; W121-E125 HydrophobicContact CZ2-CG 3.78Å; W121-E125 WeakPolarHBondContact CZ2-OE1 3.37Å; W121-E125 HydrophobicContact CZ3-CG 4.11Å; W121-E125 PolarHBondContact O-N 3.13Å
122L90.4Very high88.4Confident0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-56.2-35.1173.1-76172.5000113.3F76 L77 F118 T119 G126 L127 C128F76-L122 HydrophobicContact CD1-CD1 4.41Å; F76-L122 HydrophobicContact CE1-CD1 4.1Å; L77-L122 HydrophobicContact CD1-CD2 3.75Å; F118-L122 HydrophobicContact CD1-CD1 3.99Å; F118-L122 HydrophobicContact CD2-CD1 4.49Å; F118-L122 HydrophobicContact CD2-CG 4.26Å; F118-L122 HydrophobicContact CE1-CD1 3.59Å; F118-L122 HydrophobicContact CE1-CG 4.29Å; F118-L122 HydrophobicContact CE2-CD1 4.14Å; F118-L122 HydrophobicContact CE2-CD2 4.12Å; F118-L122 HydrophobicContact CE2-CG 3.92Å; F118-L122 HydrophobicContact CG-CD1 4.43Å; F118-L122 HydrophobicContact CZ-CD1 3.68Å; F118-L122 HydrophobicContact CZ-CD2 4.06Å; F118-L122 HydrophobicContact CZ-CG 3.93Å; F118-L122 WeakPolarHBondContact O-CG 3.41Å; F118-L122 PolarHBondContact O-N 3.43Å; T119-L122 PolarHBondContact O-N 2.87Å; L122-G126 PolarHBondContact O-N 2.77Å; L122-L127 HydrophobicContact CD2-CB 4.29Å; L122-L127 HydrophobicContact CD2-CD1 4.12Å; L122-L127 PolarHBondContact O-N 3.16Å; L122-L127 VanDerWaalsContact O-N 3.11Å; L122-C128 HydrophobicContact CB-CB 4.35Å; L122-C128 PolarHBondContact O-N 2.87Å
123G88.9Confident88.4Confident32 Ų3259.1 Ų59.133%0.3330%0.296SS..Hα-helixtrans-69.3-37.1173.200000113.1T119 W121 G126T119-G123 PolarHBondContact O-N 2.85Å; W121-G123 PolarHBondContact O-N 3.09Å; G123-G126 PolarHBondContact O-N 3.41Å
124R89.6Confident88.4Confident190 Ų19057.8 Ų57.872%0.71730%0.302SS*.Hα-helixtrans-71.8-35.5177-78.7-178.5-70171.91.7113.3K120 W121 G126K120-R124 WeakPolarHBondContact O-CG 3.29Å; K120-R124 PolarHBondContact O-N 2.61Å; K120-R124 PolarHBondContact O-NE 2.78Å; W121-R124 WeakPolarHBondContact O-CA 3.2Å; W121-R124 PolarHBondContact O-N 2.93Å; R124-G126 PolarHBondContact O-N 3.41Å
125E87.1Confident88.2Confident80 Ų8063.5 Ų63.537%0.37432%0.322SS..THydrogen-bonded Turntrans-71.7-11.2170.4-66-143.313200113.2R73 W121 L127 R144R73-E125 IonicContact NH1-OE2 3.17Å; R73-E125 PolarHBondContact NH1-OE2 3.14Å; W121-E125 HydrophobicContact CD2-CG 4.33Å; W121-E125 HydrophobicContact CE3-CG 4.36Å; W121-E125 HydrophobicContact CH2-CG 3.81Å; W121-E125 WeakPolarHBondContact CH2-OE2 3.48Å; W121-E125 HydrophobicContact CZ2-CG 3.78Å; W121-E125 WeakPolarHBondContact CZ2-OE1 3.37Å; W121-E125 HydrophobicContact CZ3-CG 4.11Å; W121-E125 PolarHBondContact O-N 3.13Å; E125-L127 HydrophobicContact CB-CD1 4.03Å; E125-L127 HydrophobicContact CB-CG 3.84Å; E125-L127 PolarHBondContact O-N 3.41Å; E125-L127 WeakPolarHBondContact OE2-CD1 3.42Å; E125-R144 PolarHBondContact O-NH2 2.99Å
126G84.4Confident88.2Confident24 Ų2463.4 Ų63.425%0.24733%0.327CS..THydrogen-bonded Turntrans6429.2-174.100000113.1L122 G123 R124 I142 R144L122-G126 PolarHBondContact O-N 2.77Å; G123-G126 PolarHBondContact O-N 3.41Å; R124-G126 PolarHBondContact O-N 3.41Å; G126-I142 WeakPolarHBondContact O-CD1 3.5Å; G126-R144 PolarHBondContact O-NH2 3.47Å
127L84.4Confident88.3Confident24 Ų2463.5 Ų63.513%0.12632%0.322CS..SBendtrans-84-30.1175-67.5176000111.6L77 L122 E125 I142L77-L127 HydrophobicContact CD1-CD1 4.48Å; L77-L127 HydrophobicContact CD2-CD1 3.94Å; L77-L127 HydrophobicContact CD2-CD2 4.26Å; L77-L127 HydrophobicContact CD2-CG 4.49Å; L122-L127 HydrophobicContact CD2-CB 4.29Å; L122-L127 HydrophobicContact CD2-CD1 4.12Å; L122-L127 PolarHBondContact O-N 3.16Å; L122-L127 VanDerWaalsContact O-N 3.11Å; E125-L127 HydrophobicContact CB-CD1 4.03Å; E125-L127 HydrophobicContact CB-CG 3.84Å; E125-L127 PolarHBondContact O-N 3.41Å; E125-L127 WeakPolarHBondContact OE2-CD1 3.42Å; L127-I142 PolarHBondContact O-N 3.3Å
128C87.8Confident88.4Confident3 Ų363.6 Ų63.62%0.0232%0.319CS..EExtended strand (participates in β ladder)trans-131.7145.7174.5-680000110.3L122 V130 I139 Q140L122-C128 HydrophobicContact CB-CB 4.35Å; L122-C128 PolarHBondContact O-N 2.87Å; C128-V130 HydrophobicContact CB-CG2 4.12Å; C128-I139 HydrophobicContact CB-CB 4.47Å; C128-Q140 CarbonylContact C-O 3.57Å; C128-Q140 WeakPolarHBondContact CA-O 3.48Å
129K88.4Confident88.5Confident124 Ų12463.6 Ų63.654%0.53932%0.319SS..EExtended strand (participates in β ladder)trans-74.8139.4154.1-62.1-173-178.2178.80107.6I139 Q140 I142K129-I139 CarbonylContact O-C 3.5Å; K129-I139 WeakPolarHBondContact O-CA 3.38Å; K129-Q140 HydrophobicContact CB-CB 4.34Å; K129-Q140 PolarHBondContact N-O 2.88Å; K129-Q140 PolarHBondContact O-N 2.61Å; K129-I142 HydrophobicContact CG-CD1 3.79Å; K129-I142 HydrophobicContact CG-CG1 3.9Å
130V91.4Very high88.5Confident38 Ų3866.4 Ų66.423%0.2333%0.332CS..EExtended strand (participates in β ladder)trans-133.9121.9-172.2-176.60000108.1C128 W137 Y138 I139C128-V130 HydrophobicContact CB-CG2 4.12Å; V130-W137 HydrophobicContact CG1-CE3 3.55Å; V130-W137 HydrophobicContact CG1-CZ3 3.76Å; V130-Y138 WeakPolarHBondContact CA-O 3.26Å; V130-I139 HydrophobicContact CG1-CG2 4.41Å; V130-I139 HydrophobicContact CG2-CG2 4.18Å
131D91.3Very high88.4Confident58 Ų5863.4 Ų63.431%0.3132%0.318SS..EExtended strand (participates in β ladder)trans-120.4132.3179.2-45.1-59.3000110.3R88 Y138R88-D131 IonicContact CZ-OD2 2.59Å; R88-D131 IonicContact NE-OD2 3.96Å; R88-D131 PolarHBondContact NE-OD2 2.89Å; R88-D131 VanDerWaalsContact NH2-CG 3.26Å; R88-D131 IonicContact NH2-OD2 2.66Å; R88-D131 PolarHBondContact NH2-OD2 3.33Å; D131-Y138 PolarHBondContact N-O 3.06Å; D131-Y138 PolarHBondContact O-N 3.36Å
132E90.5Very high88Confident138 Ų13864.1 Ų64.165%0.64532%0.324SS*.EExtended strand (participates in β ladder)trans-86.4141.1167.1-170.2161.5-149.700110.3W137E132-W137 HydrophobicContact CB-CD2 4.47Å; E132-W137 HydrophobicContact CB-CE3 4.31Å; E132-W137 HydrophobicContact CB-CH2 3.98Å; E132-W137 HydrophobicContact CB-CZ2 4.14Å; E132-W137 HydrophobicContact CB-CZ3 4.08Å; E132-W137 HydrophobicContact CG-CD2 4.5Å; E132-W137 HydrophobicContact CG-CH2 4.3Å; E132-W137 HydrophobicContact CG-CZ2 3.95Å; E132-W137 VanDerWaalsContact OE1-CZ2 3.26Å; E132-W137 WeakPolarHBondContact OE1-CZ2 3.22Å; E132-W137 WeakPolarHBondContact OE2-CZ2 3.48Å
133T88.8Confident87.2Confident35 Ų3565 Ų6522%0.21533%0.329CS..EExtended strand (participates in β ladder)trans-142161.617674.60000110.1K135 G136 Y138T133-K135 PolarHBondContact O-N 3.46Å; T133-K135 PolarHBondContact OG1-N 2.72Å; T133-G136 PolarHBondContact N-O 2.89Å; T133-G136 VanDerWaalsContact N-O 3.16Å; T133-G136 PolarHBondContact O-N 3.2Å; T133-G136 PolarHBondContact OG1-N 3.05Å; T133-G136 PolarHBondContact OG1-O 3.06Å; T133-Y138 HydrophobicContact CG2-CD2 3.74Å; T133-Y138 HydrophobicContact CG2-CE2 4.08Å; T133-Y138 VanDerWaalsContact OG1-CE2 3.32Å; T133-Y138 WeakPolarHBondContact OG1-CE2 3.42Å
134P81.8Confident86.1Confident147 Ų14770.8 Ų70.896%0.95534%0.341SS*.THydrogen-bonded Turntrans-60.3-6.4174.2-24.935.3000115.5
135K81.9Confident84.8Confident177 Ų17765.2 Ų65.277%0.7733%0.325SS*.THydrogen-bonded Turntrans-105.41.1174.8-65.5-169.3175.5-173.20113.7H90 T133H90-K135 PolarHBondContact NE2-O 2.85Å; T133-K135 PolarHBondContact O-N 3.46Å; T133-K135 PolarHBondContact OG1-N 2.72Å
136G87.5Confident83.3Confident23 Ų2365.1 Ų65.124%0.23733%0.332CS..EExtended strand (participates in β ladder)trans116.7-171.1-178.100000113.7T133 Y138T133-G136 PolarHBondContact N-O 2.89Å; T133-G136 VanDerWaalsContact N-O 3.16Å; T133-G136 PolarHBondContact O-N 3.2Å; T133-G136 PolarHBondContact OG1-N 3.05Å; T133-G136 PolarHBondContact OG1-O 3.06Å; G136-Y138 WeakPolarHBondContact O-CD2 3.33Å
137W91.3Very high82Confident49 Ų4971.5 Ų71.519%0.18636%0.355CS..EExtended strand (participates in β ladder)trans-85126.9-172.2-71.382.7000111.9H90 N91 T116 K120 V130 E132H90-W137 PolarHBondContact CD2-O 3.11Å; N91-W137 HydrophobicContact CB-CB 4.46Å; N91-W137 WeakPolarHBondContact CB-O 3.44Å; N91-W137 PolarHBondContact N-O 2.91Å; T116-W137 HydrophobicContact CG2-CD2 4.39Å; T116-W137 HydrophobicContact CG2-CZ2 3.91Å; K120-W137 HydrophobicContact CG-CH2 4.44Å; V130-W137 HydrophobicContact CG1-CE3 3.55Å; V130-W137 HydrophobicContact CG1-CZ3 3.76Å; E132-W137 HydrophobicContact CB-CD2 4.47Å; E132-W137 HydrophobicContact CB-CE3 4.31Å; E132-W137 HydrophobicContact CB-CH2 3.98Å; E132-W137 HydrophobicContact CB-CZ2 4.14Å; E132-W137 HydrophobicContact CB-CZ3 4.08Å; E132-W137 HydrophobicContact CG-CD2 4.5Å; E132-W137 HydrophobicContact CG-CH2 4.3Å; E132-W137 HydrophobicContact CG-CZ2 3.95Å; E132-W137 VanDerWaalsContact OE1-CZ2 3.26Å; E132-W137 WeakPolarHBondContact OE1-CZ2 3.22Å; E132-W137 WeakPolarHBondContact OE2-CZ2 3.48Å
138Y91.5Very high80.9Confident59 Ų5972.2 Ų72.223%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-107.7140.3174-75.3-101.1000110.2R88 V89 H90 V130 D131 T133 G136R88-Y138 HydrophobicContact CG-CD1 4.24Å; V89-Y138 CarbonylContact O-C 3.56Å; V89-Y138 WeakPolarHBondContact O-CA 3.33Å; H90-Y138 HydrophobicContact CB-CD1 4.09Å; H90-Y138 HydrophobicContact CB-CE1 3.73Å; H90-Y138 HydrophobicContact CB-CE2 4.44Å; H90-Y138 AromaticContact CD2-CE2 3.74Å; V130-Y138 WeakPolarHBondContact CA-O 3.26Å; D131-Y138 PolarHBondContact N-O 3.06Å; D131-Y138 PolarHBondContact O-N 3.36Å; T133-Y138 HydrophobicContact CG2-CD2 3.74Å; T133-Y138 HydrophobicContact CG2-CE2 4.08Å; T133-Y138 VanDerWaalsContact OG1-CE2 3.32Å; T133-Y138 WeakPolarHBondContact OG1-CE2 3.42Å; G136-Y138 WeakPolarHBondContact O-CD2 3.33Å
139I91.1Very high79.8Confident0 Ų075.6 Ų75.60%038%0.378CS..EExtended strand (participates in β ladder)trans-122.3150.1174.160.8164.5000111F76 L80 R88 V89 N91 V94 T119 C128 K129 V130F76-I139 HydrophobicContact CE1-CD1 3.77Å; F76-I139 HydrophobicContact CZ-CD1 4.02Å; L80-I139 HydrophobicContact CD1-CD1 3.84Å; L80-I139 HydrophobicContact CD1-CG1 4.45Å; L80-I139 HydrophobicContact CD2-CD1 3.94Å; R88-I139 WeakPolarHBondContact CA-O 3.16Å; V89-I139 PolarHBondContact N-O 2.7Å; V89-I139 PolarHBondContact O-N 2.94Å; N91-I139 HydrophobicContact CB-CG1 4.5Å; N91-I139 HydrophobicContact CB-CG2 4.39Å; N91-I139 WeakPolarHBondContact OD1-CD1 3.31Å; V94-I139 HydrophobicContact CG2-CD1 4.3Å; T119-I139 HydrophobicContact CG2-CG2 3.73Å; C128-I139 HydrophobicContact CB-CB 4.47Å; K129-I139 CarbonylContact O-C 3.5Å; K129-I139 WeakPolarHBondContact O-CA 3.38Å; V130-I139 HydrophobicContact CG1-CG2 4.41Å; V130-I139 HydrophobicContact CG2-CG2 4.18Å
140Q89.5Confident78.5Confident59 Ų5978 Ų7828%0.27638%0.384SS..EExtended strand (participates in β ladder)trans-136.2120.2171172.1178.151.400108.1T86 R88 C128 K129 I142T86-Q140 WeakPolarHBondContact O-CG 3.39Å; T86-Q140 PolarHBondContact O-NE2 3.03Å; R88-Q140 HydrophobicContact CB-CB 4.48Å; C128-Q140 CarbonylContact C-O 3.57Å; C128-Q140 WeakPolarHBondContact CA-O 3.48Å; K129-Q140 HydrophobicContact CB-CB 4.34Å; K129-Q140 PolarHBondContact N-O 2.88Å; K129-Q140 PolarHBondContact O-N 2.61Å; Q140-I142 PolarHBondContact O-N 3.18Å
141Y88.7Confident77.4Confident28 Ų2884.9 Ų84.911%0.1141%0.405CS..EExtended strand (participates in β ladder)trans-61134.1176.6-174.8-122.4000111.4L77 L80 R81 G85 D143L77-Y141 HydrophobicContact CD2-CE2 4.15Å; L77-Y141 HydrophobicContact CG-CE2 4.08Å; L80-Y141 HydrophobicContact CD2-CD2 4.06Å; L80-Y141 HydrophobicContact CD2-CG 4.24Å; R81-Y141 HydrophobicContact CB-CE1 4.18Å; R81-Y141 HydrophobicContact CG-CE1 4.01Å; G85-Y141 WeakPolarHBondContact O-CB 3.22Å; Y141-D143 HydrophobicContact CD1-CB 3.86Å; Y141-D143 VanDerWaalsContact CE1-CA 3.49Å; Y141-D143 HydrophobicContact CE1-CB 3.61Å
142I82.4Confident76.1Confident58 Ų5886 Ų8630%0.29741%0.409SS..  trans-95.193.9169.4-59.1168.5000106.4G126 L127 K129 Q140 R144G126-I142 WeakPolarHBondContact O-CD1 3.5Å; L127-I142 PolarHBondContact O-N 3.3Å; K129-I142 HydrophobicContact CG-CD1 3.79Å; K129-I142 HydrophobicContact CG-CG1 3.9Å; Q140-I142 PolarHBondContact O-N 3.18Å; I142-R144 PolarHBondContact O-N 2.9Å
143D73.4Confident75.2Confident18 Ų1884.2 Ų84.210%0.09640%0.403CS..  trans-69.5117.1174.2-161-12.8000109.1R81 T86 Y141 D145 T148R81-D143 IonicContact CZ-OD1 3.7Å; R81-D143 IonicContact CZ-OD2 2.68Å; R81-D143 IonicContact NE-OD2 2.93Å; R81-D143 IonicContact NH2-OD1 3.18Å; R81-D143 PolarHBondContact NH2-OD1 3.11Å; R81-D143 IonicContact NH2-OD2 2.82Å; R81-D143 PolarHBondContact NH2-OD2 2.8Å; T86-D143 HydrophobicContact CG2-CB 3.87Å; Y141-D143 HydrophobicContact CD1-CB 3.86Å; Y141-D143 VanDerWaalsContact CE1-CA 3.49Å; Y141-D143 HydrophobicContact CE1-CB 3.61Å; D143-D145 WeakPolarHBondContact OD1-CB 3.41Å; D143-D145 PolarHBondContact OD1-N 2.9Å; D143-T148 HydrophobicContact CB-CG2 3.83Å; D143-T148 VanDerWaalsContact OD2-CB 3.24Å; D143-T148 WeakPolarHBondContact OD2-CB 3.34Å; D143-T148 WeakPolarHBondContact OD2-CG2 3.46Å; D143-T148 PolarHBondContact OD2-OG1 2.7Å
144R66.4Low74.6Confident154 Ų15488 Ų8858%0.58142%0.418SS*.  trans-88.5-7.2179.3-63.5-174.7-176.61762.9112.2E125 G126 I142E125-R144 PolarHBondContact O-NH2 2.99Å; G126-R144 PolarHBondContact O-NH2 3.47Å; I142-R144 PolarHBondContact O-N 2.9Å
145D60.7Low74.3Confident73 Ų7385.8 Ų85.839%0.3940%0.398SS..  trans-71.3130.2176.4-89.9-51.6000111.8R81 D143 E147 T148 I149R81-D145 IonicContact CZ-OD2 3.7Å; R81-D145 IonicContact NH1-OD2 3.19Å; R81-D145 PolarHBondContact NH1-OD2 2.81Å; R81-D145 IonicContact NH2-OD2 2.68Å; R81-D145 PolarHBondContact NH2-OD2 3.47Å; D143-D145 WeakPolarHBondContact OD1-CB 3.41Å; D143-D145 PolarHBondContact OD1-N 2.9Å; D145-E147 PolarHBondContact O-N 2.86Å; D145-E147 VanDerWaalsContact O-N 3.16Å; D145-T148 PolarHBondContact O-N 2.84Å; D145-I149 PolarHBondContact O-N 3.12Å
146P55.8Low74.1Confident78 Ų7883.8 Ų83.851%0.50639%0.391SS..Hα-helixtrans-67-21.2-171.626.7-35.2000113.5R150P146-R150 WeakPolarHBondContact O-CB 3.39Å; P146-R150 VanDerWaalsContact O-CG 3.27Å; P146-R150 WeakPolarHBondContact O-CG 3.35Å; P146-R150 PolarHBondContact O-N 3Å
147E58.5Low74Confident159 Ų15989.5 Ų89.574%0.74341%0.41SS*.Hα-helixtrans-70.8-40.9176.4-59.8-162.5147.400112.4D145 I149 R150 R151D145-E147 PolarHBondContact O-N 2.86Å; D145-E147 VanDerWaalsContact O-N 3.16Å; E147-I149 VanDerWaalsContact C-N 3.34Å; E147-R150 PolarHBondContact O-N 3.09Å; E147-R151 WeakPolarHBondContact O-CB 3.31Å; E147-R151 PolarHBondContact O-N 3.27Å
148T60.8Low73.5Confident39 Ų3992.9 Ų92.924%0.23943%0.425CS..Hα-helixtrans-66.2-40.6175.7-58.30000110.5T86 D143 D145 R151 Q152T86-T148 HydrophobicContact CG2-CG2 4.25Å; D143-T148 HydrophobicContact CB-CG2 3.83Å; D143-T148 VanDerWaalsContact OD2-CB 3.24Å; D143-T148 WeakPolarHBondContact OD2-CB 3.34Å; D143-T148 WeakPolarHBondContact OD2-CG2 3.46Å; D143-T148 PolarHBondContact OD2-OG1 2.7Å; D145-T148 PolarHBondContact O-N 2.84Å; T148-R151 PolarHBondContact O-N 2.85Å; T148-Q152 WeakPolarHBondContact O-CG 3.32Å; T148-Q152 PolarHBondContact O-N 2.69Å
149I63.4Low72.9Confident73 Ų7396.6 Ų96.637%0.37444%0.443SS..Hα-helixtrans-61.9-45.5175.7-60.4172.1000110.6D145 E147 R151 Q152 L153D145-I149 PolarHBondContact O-N 3.12Å; E147-I149 VanDerWaalsContact C-N 3.34Å; I149-R151 PolarHBondContact O-N 2.95Å; I149-Q152 PolarHBondContact O-N 3.24Å; I149-L153 HydrophobicContact CG2-CD1 4.08Å; I149-L153 WeakPolarHBondContact O-CB 3.27Å; I149-L153 WeakPolarHBondContact O-CG 3.47Å; I149-L153 PolarHBondContact O-N 3.17Å
150R61.6Low72.5Confident176 Ų176104.2 Ų104.266%0.66448%0.476SS*.Hα-helixtrans-58.6-46.4173.1-76.3172.8-177.8-166.71.6111.9P146 E147 Q152 L153 E154P146-R150 WeakPolarHBondContact O-CB 3.39Å; P146-R150 VanDerWaalsContact O-CG 3.27Å; P146-R150 WeakPolarHBondContact O-CG 3.35Å; P146-R150 PolarHBondContact O-N 3Å; E147-R150 PolarHBondContact O-N 3.09Å; R150-Q152 VanDerWaalsContact C-N 3.33Å; R150-Q152 PolarHBondContact O-N 3.11Å; R150-L153 PolarHBondContact O-N 3.16Å; R150-E154 WeakPolarHBondContact O-CB 3.44Å; R150-E154 WeakPolarHBondContact O-CG 3.42Å; R150-E154 PolarHBondContact O-N 2.9Å
151R68.1Low72Confident182 Ų182106.1 Ų106.169%0.68749%0.485SS*.Hα-helixtrans-66.1-33.1-179.6-166173.3-172.4159.43.1112.9E147 T148 I149 L155E147-R151 WeakPolarHBondContact O-CB 3.31Å; E147-R151 PolarHBondContact O-N 3.27Å; T148-R151 PolarHBondContact O-N 2.85Å; I149-R151 PolarHBondContact O-N 2.95Å; R151-L155 WeakPolarHBondContact O-CB 3.05Å; R151-L155 WeakPolarHBondContact O-CD1 3.43Å; R151-L155 VanDerWaalsContact O-CG 3.28Å; R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 2.93Å; R151-L155 VanDerWaalsContact O-N 3.08Å
152Q64.8Low71.5Confident82 Ų82109 Ų10938%0.38350%0.502SS..Hα-helixtrans-67.1-49.1170.7-75.6179.4-12.800111.4T86 T148 I149 R150 E154 L155 E156T86-Q152 VanDerWaalsContact CB-NE2 3.3Å; T86-Q152 VanDerWaalsContact CG2-NE2 3.31Å; T86-Q152 PolarHBondContact OG1-NE2 2.67Å; T148-Q152 WeakPolarHBondContact O-CG 3.32Å; T148-Q152 PolarHBondContact O-N 2.69Å; I149-Q152 PolarHBondContact O-N 3.24Å; R150-Q152 VanDerWaalsContact C-N 3.33Å; R150-Q152 PolarHBondContact O-N 3.11Å; Q152-E154 VanDerWaalsContact C-N 3.29Å; Q152-E154 PolarHBondContact O-N 3.4Å; Q152-L155 PolarHBondContact O-N 3.01Å; Q152-L155 VanDerWaalsContact O-N 3.11Å; Q152-E156 WeakPolarHBondContact O-CB 3.23Å; Q152-E156 PolarHBondContact O-N 3.4Å
153L72.4Confident71.3Confident100 Ų100111.3 Ų111.352%0.52451%0.514SS..Hα-helixtrans-61.3-36176.7-73.9169000112.2I149 R150 K157I149-L153 HydrophobicContact CG2-CD1 4.08Å; I149-L153 WeakPolarHBondContact O-CB 3.27Å; I149-L153 WeakPolarHBondContact O-CG 3.47Å; I149-L153 PolarHBondContact O-N 3.17Å; R150-L153 PolarHBondContact O-N 3.16Å; L153-K157 WeakPolarHBondContact O-CB 3.35Å; L153-K157 PolarHBondContact O-N 3.39Å
154E75.5Confident71.7Confident113 Ų113114.4 Ų114.453%0.52853%0.531SS..Hα-helixtrans-66.3-40.7172.2-78.5-178-173.300112.5R150 Q152 K158R150-E154 WeakPolarHBondContact O-CB 3.44Å; R150-E154 WeakPolarHBondContact O-CG 3.42Å; R150-E154 PolarHBondContact O-N 2.9Å; Q152-E154 VanDerWaalsContact C-N 3.29Å; Q152-E154 PolarHBondContact O-N 3.4Å; E154-K158 VanDerWaalsContact O-CB 3.26Å; E154-K158 WeakPolarHBondContact O-CB 3.41Å; E154-K158 VanDerWaalsContact O-CG 3.26Å; E154-K158 WeakPolarHBondContact O-CG 3.21Å; E154-K158 PolarHBondContact O-N 2.74Å
155L74.5Confident72.5Confident102 Ų102111 Ų11153%0.53452%0.524SS..Hα-helixtrans-69.6-35.9176.4-76.3167.5000112.3R151 Q152 K159R151-L155 WeakPolarHBondContact O-CB 3.05Å; R151-L155 WeakPolarHBondContact O-CD1 3.43Å; R151-L155 VanDerWaalsContact O-CG 3.28Å; R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 2.93Å; R151-L155 VanDerWaalsContact O-N 3.08Å; Q152-L155 PolarHBondContact O-N 3.01Å; Q152-L155 VanDerWaalsContact O-N 3.11Å; L155-K159 WeakPolarHBondContact O-CB 3.45Å; L155-K159 VanDerWaalsContact O-CG 3.27Å; L155-K159 WeakPolarHBondContact O-CG 3.29Å; L155-K159 PolarHBondContact O-N 2.84Å
156E79Confident73.4Confident134 Ų134113.3 Ų113.363%0.62653%0.533SS*.Hα-helixtrans-72.9-41.8175.3-174.7167.2-146.900111.6Q152 K159 K160Q152-E156 WeakPolarHBondContact O-CB 3.23Å; Q152-E156 PolarHBondContact O-N 3.4Å; E156-K159 PolarHBondContact O-N 2.87Å; E156-K160 WeakPolarHBondContact O-CB 3.23Å; E156-K160 PolarHBondContact O-N 2.67Å
157K84.2Confident74.7Confident144 Ų144115 Ų11563%0.62653%0.534SS*.Hα-helixtrans-63.9-42.2173.4-173.2176.6180-179.20111.6L153 K160 Q161L153-K157 WeakPolarHBondContact O-CB 3.35Å; L153-K157 PolarHBondContact O-N 3.39Å; K157-K160 PolarHBondContact O-N 3.14Å; K157-Q161 WeakPolarHBondContact O-CG 3.27Å; K157-Q161 PolarHBondContact O-N 2.93Å
158K80.7Confident75.8Confident119 Ų119112 Ų11252%0.51752%0.518SS..Hα-helixtrans-59-54.6171.8-80.6177.2177.9179.10111E154 K160 Q161 D162E154-K158 VanDerWaalsContact O-CB 3.26Å; E154-K158 WeakPolarHBondContact O-CB 3.41Å; E154-K158 VanDerWaalsContact O-CG 3.26Å; E154-K158 WeakPolarHBondContact O-CG 3.21Å; E154-K158 PolarHBondContact O-N 2.74Å; K158-K160 PolarHBondContact O-N 3.42Å; K158-K160 VanDerWaalsContact O-N 3.11Å; K158-Q161 CarbonylContact O-C 3.48Å; K158-Q161 WeakPolarHBondContact O-CA 3.31Å; K158-Q161 WeakPolarHBondContact O-CB 3.45Å; K158-Q161 PolarHBondContact O-N 3.01Å; K158-D162 PolarHBondContact O-N 2.99Å; K158-D162 VanDerWaalsContact O-OD2 3.09Å
159K80.1Confident76.9Confident137 Ų137113.9 Ų113.960%0.59653%0.53SS*.Hα-helixtrans-52.9-37.4175.1-76.3173.1177.7-174.80113.6L155 E156 D162 L163L155-K159 WeakPolarHBondContact O-CB 3.45Å; L155-K159 VanDerWaalsContact O-CG 3.27Å; L155-K159 WeakPolarHBondContact O-CG 3.29Å; L155-K159 PolarHBondContact O-N 2.84Å; E156-K159 PolarHBondContact O-N 2.87Å; K159-D162 WeakPolarHBondContact CA-OD2 3.39Å; K159-D162 PolarHBondContact N-OD2 2.95Å; K159-L163 WeakPolarHBondContact O-CB 3.44Å; K159-L163 WeakPolarHBondContact O-CD1 3.3Å; K159-L163 VanDerWaalsContact O-CG 3.22Å; K159-L163 WeakPolarHBondContact O-CG 3.38Å; K159-L163 PolarHBondContact O-N 3.14Å
160K81.6Confident77.8Confident161 Ų161113 Ų11370%0.753%0.533SS*.Hα-helixtrans-70.2-33.9176.2-172.8173-179.41770112.7E156 K157 K158 D164E156-K160 WeakPolarHBondContact O-CB 3.23Å; E156-K160 PolarHBondContact O-N 2.67Å; K157-K160 PolarHBondContact O-N 3.14Å; K158-K160 PolarHBondContact O-N 3.42Å; K158-K160 VanDerWaalsContact O-N 3.11Å; K160-D164 VanDerWaalsContact O-CB 3.3Å; K160-D164 WeakPolarHBondContact O-CB 3.34Å; K160-D164 PolarHBondContact O-N 2.94Å; K160-D164 VanDerWaalsContact O-N 3.16Å
161Q79.1Confident78.9Confident99 Ų99110.1 Ų110.146%0.46353%0.526SS..Hα-helixtrans-72.3-44.6171.9-67.6175.7-81.300111.1K157 K158 L163 D164 D165K157-Q161 WeakPolarHBondContact O-CG 3.27Å; K157-Q161 PolarHBondContact O-N 2.93Å; K158-Q161 CarbonylContact O-C 3.48Å; K158-Q161 WeakPolarHBondContact O-CA 3.31Å; K158-Q161 WeakPolarHBondContact O-CB 3.45Å; K158-Q161 PolarHBondContact O-N 3.01Å; Q161-L163 VanDerWaalsContact C-N 3.32Å; Q161-L163 PolarHBondContact O-N 3.31Å; Q161-D164 PolarHBondContact O-N 3.22Å; Q161-D165 WeakPolarHBondContact O-CB 3.25Å; Q161-D165 PolarHBondContact O-N 2.59Å
162D78.5Confident79.5Confident88 Ų88107.7 Ų107.747%0.47152%0.521SS..Hα-helixtrans-56.7-44.7175.4-55.1-36.6000110.5K158 K159 D165 E166K158-D162 PolarHBondContact O-N 2.99Å; K158-D162 VanDerWaalsContact O-OD2 3.09Å; K159-D162 WeakPolarHBondContact CA-OD2 3.39Å; K159-D162 PolarHBondContact N-OD2 2.95Å; D162-D165 PolarHBondContact O-N 3.11Å; D162-E166 WeakPolarHBondContact O-CB 3.46Å; D162-E166 WeakPolarHBondContact O-CG 3.45Å; D162-E166 PolarHBondContact O-N 3.41Å
163L78.5Confident80.3Confident106 Ų106108.8 Ų108.856%0.55553%0.528SS*.Hα-helixtrans-65.7-40.9175-77.1165.8000113.6K159 Q161 D165 E166 E167K159-L163 WeakPolarHBondContact O-CB 3.44Å; K159-L163 WeakPolarHBondContact O-CD1 3.3Å; K159-L163 VanDerWaalsContact O-CG 3.22Å; K159-L163 WeakPolarHBondContact O-CG 3.38Å; K159-L163 PolarHBondContact O-N 3.14Å; Q161-L163 VanDerWaalsContact C-N 3.32Å; Q161-L163 PolarHBondContact O-N 3.31Å; L163-D165 VanDerWaalsContact C-N 3.32Å; L163-E166 PolarHBondContact O-N 3.19Å; L163-E167 PolarHBondContact O-N 3.29Å
164D82.4Confident80.7Confident84 Ų84110.6 Ų110.645%0.44953%0.534SS..Hα-helixtrans-68-33.3177.5-178.540.8000111.1K160 Q161 K168K160-D164 VanDerWaalsContact O-CB 3.3Å; K160-D164 WeakPolarHBondContact O-CB 3.34Å; K160-D164 PolarHBondContact O-N 2.94Å; K160-D164 VanDerWaalsContact O-N 3.16Å; Q161-D164 PolarHBondContact O-N 3.22Å; D164-K168 WeakPolarHBondContact O-CD 3.14Å; D164-K168 WeakPolarHBondContact O-CE 3.49Å; D164-K168 VanDerWaalsContact O-CG 3.22Å; D164-K168 WeakPolarHBondContact O-CG 3.41Å; D164-K168 PolarHBondContact O-N 3.24Å; D164-K168 VanDerWaalsContact O-N 3.13Å; D164-K168 VanDerWaalsContact OD1-CE 3.23Å; D164-K168 WeakPolarHBondContact OD1-CE 3.26Å; D164-K168 IonicContact OD1-NZ 3.78Å; D164-K168 VanDerWaalsContact OD2-CE 3.29Å; D164-K168 WeakPolarHBondContact OD2-CE 3.19Å; D164-K168 IonicContact OD2-NZ 3.43Å; D164-K168 PolarHBondContact OD2-NZ 3.3Å
165D82.1Confident81Confident81 Ų81109.3 Ų109.343%0.43353%0.528SS..Hα-helixtrans-80.2-30.7173.6-68.8-21000112.9Q161 D162 L163 K168 T169Q161-D165 WeakPolarHBondContact O-CB 3.25Å; Q161-D165 PolarHBondContact O-N 2.59Å; D162-D165 PolarHBondContact O-N 3.11Å; L163-D165 VanDerWaalsContact C-N 3.32Å; D165-K168 PolarHBondContact O-N 3.17Å; D165-K168 IonicContact OD1-NZ 2.74Å; D165-K168 PolarHBondContact OD1-NZ 2.95Å; D165-T169 WeakPolarHBondContact O-CB 3.46Å; D165-T169 WeakPolarHBondContact O-CG2 3.21Å; D165-T169 PolarHBondContact O-N 3.2Å; D165-T169 PolarHBondContact O-OG1 3.22Å
166E80Confident81.1Confident123 Ų123108.6 Ų108.658%0.57552%0.522SS*.Hα-helixtrans-61.8-43.3166.2-81.1179173.700110.9D162 L163 T169 A170D162-E166 WeakPolarHBondContact O-CB 3.46Å; D162-E166 WeakPolarHBondContact O-CG 3.45Å; D162-E166 PolarHBondContact O-N 3.41Å; L163-E166 PolarHBondContact O-N 3.19Å; E166-T169 WeakPolarHBondContact CA-OG1 3.43Å; E166-T169 PolarHBondContact O-N 3.16Å; E166-T169 PolarHBondContact O-OG1 3.29Å; E166-T169 VanDerWaalsContact O-OG1 3.14Å; E166-A170 VanDerWaalsContact O-CB 3.25Å; E166-A170 WeakPolarHBondContact O-CB 3.19Å; E166-A170 PolarHBondContact O-N 2.82Å
167E83.3Confident81.1Confident113 Ų113106.6 Ų106.653%0.52852%0.518SS..Hα-helixtrans-63.9-40.9174-87.1-158-144.300113.1L163 K171L163-E167 PolarHBondContact O-N 3.29Å; E167-K171 WeakPolarHBondContact O-CD 3.36Å; E167-K171 VanDerWaalsContact O-CG 3.31Å; E167-K171 WeakPolarHBondContact O-CG 3.38Å; E167-K171 PolarHBondContact O-N 3.19Å; E167-K171 VanDerWaalsContact O-N 3.14Å; E167-K171 IonicContact OE2-NZ 2.67Å; E167-K171 PolarHBondContact OE2-NZ 2.97Å
168K82.4Confident80.8Confident95 Ų95105.2 Ų105.241%0.41351%0.509SS..Hα-helixtrans-67-43.1176.7-70.2162-147.4155.70111.8D164 D165 K171 F172D164-K168 WeakPolarHBondContact O-CD 3.14Å; D164-K168 WeakPolarHBondContact O-CE 3.49Å; D164-K168 VanDerWaalsContact O-CG 3.22Å; D164-K168 WeakPolarHBondContact O-CG 3.41Å; D164-K168 PolarHBondContact O-N 3.24Å; D164-K168 VanDerWaalsContact O-N 3.13Å; D164-K168 VanDerWaalsContact OD1-CE 3.23Å; D164-K168 WeakPolarHBondContact OD1-CE 3.26Å; D164-K168 IonicContact OD1-NZ 3.78Å; D164-K168 VanDerWaalsContact OD2-CE 3.29Å; D164-K168 WeakPolarHBondContact OD2-CE 3.19Å; D164-K168 IonicContact OD2-NZ 3.43Å; D164-K168 PolarHBondContact OD2-NZ 3.3Å; D165-K168 PolarHBondContact O-N 3.17Å; D165-K168 IonicContact OD1-NZ 2.74Å; D165-K168 PolarHBondContact OD1-NZ 2.95Å; K168-K171 PolarHBondContact O-N 3.08Å; K168-F172 WeakPolarHBondContact O-CB 3.48Å; K168-F172 PolarHBondContact O-N 2.86Å
169T82.1Confident80.6Confident79 Ų79105.9 Ų105.949%0.48551%0.509SS..Hα-helixtrans-70-37.3179.350.30000111.7D165 E166 F172 I173D165-T169 WeakPolarHBondContact O-CB 3.46Å; D165-T169 WeakPolarHBondContact O-CG2 3.21Å; D165-T169 PolarHBondContact O-N 3.2Å; D165-T169 PolarHBondContact O-OG1 3.22Å; E166-T169 WeakPolarHBondContact CA-OG1 3.43Å; E166-T169 PolarHBondContact O-N 3.16Å; E166-T169 PolarHBondContact O-OG1 3.29Å; E166-T169 VanDerWaalsContact O-OG1 3.14Å; T169-F172 PolarHBondContact O-N 2.87Å; T169-I173 WeakPolarHBondContact O-CB 3.07Å; T169-I173 WeakPolarHBondContact O-CD1 3.21Å; T169-I173 VanDerWaalsContact O-CG1 3.24Å; T169-I173 WeakPolarHBondContact O-CG1 3.28Å; T169-I173 PolarHBondContact O-N 3.12Å
170A84.1Confident80.2Confident54 Ų54101.5 Ų101.545%0.44650%0.502SS..Hα-helixtrans-57.2-50.6170.700000111.8E166 F172 I173 E174E166-A170 VanDerWaalsContact O-CB 3.25Å; E166-A170 WeakPolarHBondContact O-CB 3.19Å; E166-A170 PolarHBondContact O-N 2.82Å; A170-F172 VanDerWaalsContact C-N 3.33Å; A170-F172 PolarHBondContact O-N 3.03Å; A170-I173 PolarHBondContact O-N 3.19Å; A170-E174 WeakPolarHBondContact O-CB 3.26Å; A170-E174 PolarHBondContact O-N 2.84Å
171K83.8Confident79.6Confident116 Ų11699.8 Ų99.850%0.50450%0.5SS..Hα-helixtrans-61.9-37.1177.5-70.3162.2-168.3156.90112.5E167 K168 E175E167-K171 WeakPolarHBondContact O-CD 3.36Å; E167-K171 VanDerWaalsContact O-CG 3.31Å; E167-K171 WeakPolarHBondContact O-CG 3.38Å; E167-K171 PolarHBondContact O-N 3.19Å; E167-K171 VanDerWaalsContact O-N 3.14Å; E167-K171 IonicContact OE2-NZ 2.67Å; E167-K171 PolarHBondContact OE2-NZ 2.97Å; K168-K171 PolarHBondContact O-N 3.08Å; K171-E175 WeakPolarHBondContact O-CB 3.48Å; K171-E175 PolarHBondContact O-N 3.45Å
172F80.6Confident78.7Confident132 Ų132100.2 Ų100.258%0.57950%0.502SS*.Hα-helixtrans-69.4-35.8175.2-174.9-98.9000113K168 T169 A170 Q176K168-F172 WeakPolarHBondContact O-CB 3.48Å; K168-F172 PolarHBondContact O-N 2.86Å; T169-F172 PolarHBondContact O-N 2.87Å; A170-F172 VanDerWaalsContact C-N 3.33Å; A170-F172 PolarHBondContact O-N 3.03Å; F172-Q176 HydrophobicContact CD1-CG 4.27Å; F172-Q176 HydrophobicContact CE1-CG 4.02Å; F172-Q176 HydrophobicContact CZ-CG 4.38Å; F172-Q176 WeakPolarHBondContact O-CG 3.44Å; F172-Q176 PolarHBondContact O-N 2.95Å; F172-Q176 VanDerWaalsContact O-N 3.07Å
173I82.3Confident77.6Confident105 Ų10599.4 Ų99.454%0.53851%0.514SS..Hα-helixtrans-68.6-43174.1-69.4162.8000110.3T169 A170 E175 Q176 V177T169-I173 WeakPolarHBondContact O-CB 3.07Å; T169-I173 WeakPolarHBondContact O-CD1 3.21Å; T169-I173 VanDerWaalsContact O-CG1 3.24Å; T169-I173 WeakPolarHBondContact O-CG1 3.28Å; T169-I173 PolarHBondContact O-N 3.12Å; A170-I173 PolarHBondContact O-N 3.19Å; I173-E175 PolarHBondContact O-N 3.22Å; I173-Q176 WeakPolarHBondContact O-CB 3.46Å; I173-Q176 PolarHBondContact O-N 2.87Å; I173-V177 HydrophobicContact CG2-CG2 4.45Å; I173-V177 WeakPolarHBondContact O-CG2 3.26Å; I173-V177 PolarHBondContact O-N 3.38Å
174E80.1Confident76.3Confident138 Ų138102.9 Ų102.965%0.64553%0.525SS*.Hα-helixtrans-60.2-43.9176.4-171.9167.7-141.200111.6A170 Q176 V177 R178A170-E174 WeakPolarHBondContact O-CB 3.26Å; A170-E174 PolarHBondContact O-N 2.84Å; E174-Q176 PolarHBondContact O-N 3.18Å; E174-V177 PolarHBondContact O-N 2.86Å; E174-R178 WeakPolarHBondContact O-CB 3.45Å; E174-R178 PolarHBondContact O-N 3.5Å
175E82.4Confident74.3Confident86 Ų86106.7 Ų106.740%0.40254%0.54SS..Hα-helixtrans-65.6-36.4175.3-17669.117000113.1K171 I173 R178 R179K171-E175 WeakPolarHBondContact O-CB 3.48Å; K171-E175 PolarHBondContact O-N 3.45Å; I173-E175 PolarHBondContact O-N 3.22Å; E175-R178 IonicContact OE1-CZ 2.7Å; E175-R178 IonicContact OE1-NH2 2.65Å; E175-R178 PolarHBondContact OE1-NH2 3.43Å; E175-R178 IonicContact OE2-CZ 2.7Å; E175-R178 VanDerWaalsContact OE2-CZ 3.23Å; E175-R178 IonicContact OE2-NE 3.58Å; E175-R178 PolarHBondContact OE2-NE 2.85Å; E175-R178 IonicContact OE2-NH2 2.69Å; E175-R178 PolarHBondContact OE2-NH2 3.08Å; E175-R179 WeakPolarHBondContact O-CB 3.32Å; E175-R179 PolarHBondContact O-N 3.11Å; E175-R179 VanDerWaalsContact O-N 3.09Å
176Q76Confident72.5Confident87 Ų87111.4 Ų111.441%0.40756%0.559SS.*Hα-helixtrans-65.5-42.3172-72.5-85.4-8.200111.7F172 I173 E174 G180F172-Q176 HydrophobicContact CD1-CG 4.27Å; F172-Q176 HydrophobicContact CE1-CG 4.02Å; F172-Q176 HydrophobicContact CZ-CG 4.38Å; F172-Q176 WeakPolarHBondContact O-CG 3.44Å; F172-Q176 PolarHBondContact O-N 2.95Å; F172-Q176 VanDerWaalsContact O-N 3.07Å; I173-Q176 WeakPolarHBondContact O-CB 3.46Å; I173-Q176 PolarHBondContact O-N 2.87Å; E174-Q176 PolarHBondContact O-N 3.18Å; Q176-G180 PolarHBondContact O-N 2.8Å
177V80Confident70.6Confident91 Ų91114.6 Ų114.655%0.55258%0.575SS**Hα-helixtrans-66-44.3177169.40000110.7I173 E174 G180 L181I173-V177 HydrophobicContact CG2-CG2 4.45Å; I173-V177 WeakPolarHBondContact O-CG2 3.26Å; I173-V177 PolarHBondContact O-N 3.38Å; E174-V177 PolarHBondContact O-N 2.86Å; V177-G180 CarbonylContact O-C 3.59Å; V177-G180 WeakPolarHBondContact O-CA 3.41Å; V177-G180 PolarHBondContact O-N 3.34Å; V177-G180 VanDerWaalsContact O-N 3.14Å; V177-L181 PolarHBondContact O-N 3.28Å
178R76.3Confident68.5Low115 Ų115114.6 Ų114.643%0.43458%0.582SS.*Hα-helixtrans-57-53.8177-175.5176.971.784.7-6111.4E174 E175 G180 L181 E182E174-R178 WeakPolarHBondContact O-CB 3.45Å; E174-R178 PolarHBondContact O-N 3.5Å; E175-R178 IonicContact OE1-CZ 2.7Å; E175-R178 IonicContact OE1-NH2 2.65Å; E175-R178 PolarHBondContact OE1-NH2 3.43Å; E175-R178 IonicContact OE2-CZ 2.7Å; E175-R178 VanDerWaalsContact OE2-CZ 3.23Å; E175-R178 IonicContact OE2-NE 3.58Å; E175-R178 PolarHBondContact OE2-NE 2.85Å; E175-R178 IonicContact OE2-NH2 2.69Å; E175-R178 PolarHBondContact OE2-NH2 3.08Å; R178-G180 PolarHBondContact O-N 2.86Å; R178-L181 WeakPolarHBondContact O-CB 3.46Å; R178-L181 PolarHBondContact O-N 3.01Å; R178-E182 VanDerWaalsContact CG-OE1 3.27Å; R178-E182 WeakPolarHBondContact CG-OE1 3.48Å; R178-E182 IonicContact CZ-OE1 3.22Å; R178-E182 VanDerWaalsContact NH1-CD 3.35Å; R178-E182 IonicContact NH1-OE1 2.7Å; R178-E182 PolarHBondContact NH1-OE1 3.2Å; R178-E182 IonicContact NH1-OE2 3.8Å; R178-E182 PolarHBondContact NH1-OE2 2.66Å; R178-E182 WeakPolarHBondContact O-CG 3.24Å; R178-E182 PolarHBondContact O-N 2.95Å
179R76.4Confident66.9Low134 Ų134116.4 Ų116.451%0.50660%0.604SS.*Hα-helixtrans-62.6-31.2176.3-170.2177.563.7-130.2-6.6112.7E175 L181 G183E175-R179 WeakPolarHBondContact O-CB 3.32Å; E175-R179 PolarHBondContact O-N 3.11Å; E175-R179 VanDerWaalsContact O-N 3.09Å; R179-L181 VanDerWaalsContact C-N 3.31Å; R179-G183 PolarHBondContact O-N 2.61Å
180G73.4Confident65Low45 Ų45118 Ų11846%0.46461%0.613SS.*Hα-helixtrans-74.8-14.9173.400000115Q176 V177 R178Q176-G180 PolarHBondContact O-N 2.8Å; V177-G180 CarbonylContact O-C 3.59Å; V177-G180 WeakPolarHBondContact O-CA 3.41Å; V177-G180 PolarHBondContact O-N 3.34Å; V177-G180 VanDerWaalsContact O-N 3.14Å; R178-G180 PolarHBondContact O-N 2.86Å
181L67Low63.1Low124 Ų124124.1 Ų124.165%0.64963%0.63SS**Hα-helixtrans-91.8-45.1172.5-137.381.3000110.9V177 R178 R179 G183 K184V177-L181 PolarHBondContact O-N 3.28Å; R178-L181 WeakPolarHBondContact O-CB 3.46Å; R178-L181 PolarHBondContact O-N 3.01Å; R179-L181 VanDerWaalsContact C-N 3.31Å; L181-G183 VanDerWaalsContact C-N 3.28Å; L181-G183 PolarHBondContact O-N 3.17Å; L181-K184 WeakPolarHBondContact O-CA 3.41Å; L181-K184 WeakPolarHBondContact O-CB 3.47Å; L181-K184 PolarHBondContact O-N 3.43Å
182E60.8Low61.4Low108 Ų108124.4 Ų124.451%0.50564%0.641SS.*Hα-helixtrans-60.2-37.3175.2-70.3166.6-179.900111.4R178 K184R178-E182 VanDerWaalsContact CG-OE1 3.27Å; R178-E182 WeakPolarHBondContact CG-OE1 3.48Å; R178-E182 IonicContact CZ-OE1 3.22Å; R178-E182 VanDerWaalsContact NH1-CD 3.35Å; R178-E182 IonicContact NH1-OE1 2.7Å; R178-E182 PolarHBondContact NH1-OE1 3.2Å; R178-E182 IonicContact NH1-OE2 3.8Å; R178-E182 PolarHBondContact NH1-OE2 2.66Å; R178-E182 WeakPolarHBondContact O-CG 3.24Å; R178-E182 PolarHBondContact O-N 2.95Å; E182-K184 PolarHBondContact O-N 3.26Å; E182-K184 VanDerWaalsContact O-N 3.1Å
183G55.6Low59.8Low71 Ų71126.1 Ų126.173%0.73265%0.651SS**THydrogen-bonded Turntrans-74.417.9169.700000115.1R179 L181R179-G183 PolarHBondContact O-N 2.61Å; L181-G183 VanDerWaalsContact C-N 3.28Å; L181-G183 PolarHBondContact O-N 3.17Å
184K51.7Low57.8Low179 Ų179128.5 Ų128.578%0.77866%0.664SS**THydrogen-bonded Turntrans-140.211.1-174.2-127.5-178.7-175.9-175.70115.3L181 E182L181-K184 WeakPolarHBondContact O-CA 3.41Å; L181-K184 WeakPolarHBondContact O-CB 3.47Å; L181-K184 PolarHBondContact O-N 3.43Å; E182-K184 PolarHBondContact O-N 3.26Å; E182-K184 VanDerWaalsContact O-N 3.1Å
185E40Very low56Low164 Ų164126.9 Ų126.977%0.76667%0.668SS**SBendtrans-88.1128.2167.6-65.7-156.8102.800111.3
186Q45Very low54.4Low180 Ų180131.3 Ų131.384%0.84168%0.681SS**  trans63.969.6166.3-54.4-170.812.400118.7
187E38.8Very low52.8Low191 Ų191136.4 Ų136.489%0.89371%0.705SS**  trans-115.397.2130.6-78.3-166168.600109.6
188T39.1Very low51.1Low112 Ų112138.1 Ų138.169%0.68771%0.711SS**  trans-73.2124.7156.342.20000107.4V190T188-V190 VanDerWaalsContact C-N 3.29Å; T188-V190 PolarHBondContact O-N 3.38Å
189P49.8Very low49.8Very low133 Ų133139.2 Ų139.286%0.86473%0.726SS**  trans-74.283-175.729.2-34.9000111F191P189-F191 PolarHBondContact O-N 2.64Å
190V41.2Very low48.9Very low112 Ų112141.1 Ų141.168%0.67974%0.74SS**  trans-73.1110168.5179.20000107.7T188 T192T188-V190 VanDerWaalsContact C-N 3.29Å; T188-V190 PolarHBondContact O-N 3.38Å; V190-T192 PolarHBondContact O-N 3.46Å
191F45.6Very low47.7Very low183 Ų183147.9 Ų147.980%0.80376%0.76SS**  trans-77.391.2179.7-166.7-90.4000110.1P189 E193P189-F191 PolarHBondContact O-N 2.64Å; F191-E193 HydrophobicContact CD1-CG 4.29Å; F191-E193 HydrophobicContact CE1-CG 4.21Å
192T47.9Very low47.2Very low122 Ų122150.5 Ų150.575%0.74877%0.766SS**  trans-78.1119170.128.40000110.4V190V190-T192 PolarHBondContact O-N 3.46Å
193E46.6Very low46.8Very low168 Ų168150.9 Ų150.979%0.78578%0.776SS**  trans-69.3138.2175.3-64.4-167.5134.500111.5F191 S195F191-E193 HydrophobicContact CD1-CG 4.29Å; F191-E193 HydrophobicContact CE1-CG 4.21Å; E193-S195 PolarHBondContact O-N 2.8Å
194L39.2Very low46.2Very low155 Ų155152.5 Ų152.581%0.81277%0.771SS**  trans-76.983.1175.5-94.9161.8000110.4R196L194-R196 PolarHBondContact O-N 3.3Å
195S44.3Very low45.8Very low104 Ų104153.1 Ų153.173%0.72777%0.774SS**  trans-61.2131.7165.6-169.80000110E193E193-S195 PolarHBondContact O-N 2.8Å
196R46.9Very low46.1Very low180 Ų180152.5 Ų152.568%0.67978%0.776SS**  trans-120.6115.2176-65.3-176.8-174.5168.22109.2L194L194-R196 PolarHBondContact O-N 3.3Å
197E44.2Very low46.2Very low193 Ų193152.3 Ų152.390%0.90278%0.78SS**SBendtrans-101.730.1171.8-64.8-169.1132.100112.3
198N42.8Very low46.4Very low128 Ų128150.4 Ų150.468%0.68478%0.776SS**  trans-159139.6155.4-155.47.9000109.9
199D49.7Very low46.8Very low137 Ų137154.9 Ų154.973%0.73379%0.786SS**  trans-117.39.5-173.4-128.7-11000113.8
200E57.2Low46Very low175 Ų175152 Ų15282%0.81878%0.78SS**  trans-11646.7-177.6-64.8-158.5127.300114.2
201E48.9Very low45.7Very low187 Ų187151.7 Ų151.787%0.87479%0.789SS**  trans-138.7132.7163.7-136.3174.4-139.700114.5V203E201-V203 PolarHBondContact O-N 3.05Å
202K56.9Low45Very low179 Ų179146.6 Ų146.678%0.77879%0.789SS**  trans-91.699-165.6-174.9179.1179.8176.80111.6T204K202-T204 HydrophobicContact CG-CG2 4.45Å; K202-T204 PolarHBondContact O-N 3Å
203V50.6Low44.4Very low116 Ų116146.5 Ų146.570%0.70379%0.793SS**  trans-56.9112.2177.2-175.30000111.1E201 F205E201-V203 PolarHBondContact O-N 3.05Å; V203-F205 HydrophobicContact CG1-CD2 4.16Å; V203-F205 HydrophobicContact CG1-CE2 3.64Å; V203-F205 HydrophobicContact CG1-CZ 3.99Å
204T44.4Very low43.7Very low104 Ų104144.7 Ų144.764%0.63880%0.799SS**  trans-115.2105.2-176.938.10000111.2K202 N206K202-T204 HydrophobicContact CG-CG2 4.45Å; K202-T204 PolarHBondContact O-N 3Å; T204-N206 VanDerWaalsContact C-N 3.32Å; T204-N206 PolarHBondContact O-N 3.35Å
205F42.1Very low43.2Very low193 Ų193141.6 Ų141.685%0.84680%0.796SS**  trans-77.475.7178.9-73.5-80.6000112.4V203 L207V203-F205 HydrophobicContact CG1-CD2 4.16Å; V203-F205 HydrophobicContact CG1-CE2 3.64Å; V203-F205 HydrophobicContact CG1-CZ 3.99Å; F205-L207 PolarHBondContact O-N 2.87Å
206N47.7Very low42.5Very low151 Ų151143.6 Ų143.681%0.80780%0.803SS**  trans-74.284.2172.8-975000111.5T204 N208T204-N206 VanDerWaalsContact C-N 3.32Å; T204-N206 PolarHBondContact O-N 3.35Å; N206-N208 PolarHBondContact O-N 3.4Å
207L46.9Very low41.7Very low175 Ų175139 Ų13992%0.91680%0.804SS**  trans-74.170.6174.5-169.271.7000111.5F205 K209F205-L207 PolarHBondContact O-N 2.87Å; L207-K209 PolarHBondContact O-N 3Å
208N43.2Very low41.1Very low151 Ų151136.2 Ų136.281%0.80780%0.8SS**  trans-77.6112.7-175.8-163.825.6000111.6N206 G210N206-N208 PolarHBondContact O-N 3.4Å; N208-G210 VanDerWaalsContact C-N 3.27Å; N208-G210 PolarHBondContact O-N 3.39Å
209K47.7Very low40.5Very low206 Ų206134.8 Ų134.890%0.89680%0.8SS**  trans-7870.9-176-169179.3178.2177.90112L207 A211L207-K209 PolarHBondContact O-N 3Å; K209-A211 PolarHBondContact O-N 3.36Å; K209-A211 VanDerWaalsContact O-N 3.11Å
210G31.4Very low39.6Very low72 Ų72132.8 Ų132.874%0.74280%0.797SS**  trans-73.992.6-178.100000114.2N208N208-G210 VanDerWaalsContact C-N 3.27Å; N208-G210 PolarHBondContact O-N 3.39Å
211A35.7Very low38.4Very low106 Ų106134 Ų13488%0.87680%0.8SS**  trans-91121.5150.900000108K209K209-A211 PolarHBondContact O-N 3.36Å; K209-A211 VanDerWaalsContact O-N 3.11Å
212G30.5Very low37.6Very low77 Ų77130.7 Ų130.779%0.79480%0.797SS**  trans-16996.2-174.800000112.8
213S35.3Very low36.3Very low119 Ų119125.8 Ų125.883%0.83280%0.797SS**  trans-67150.4177.3-45.80000112.5
214S31.2Very low35.4Very low130 Ų130125.4 Ų125.491%0.90980%0.8SS**  trans-59.3136.1159.3-54.80000110.1
215A29.2Very low34.8Very low90 Ų90128.3 Ų128.374%0.74481%0.81SS**  trans-117.2-161.4-176.800000111.4
216V29.4Very low34.4Very low147 Ų147122.7 Ų122.789%0.89181%0.807SS**  trans80.8124.1-175.5-1750000112.7
217A31.3Very low34.1Very low84 Ų84121.5 Ų121.569%0.69481%0.807SS**  cis-166.1170.4-14.400000107.1
218T30Very low33.5Very low133 Ų133119.4 Ų119.482%0.81681%0.808SS**  cis-155.8-1690.3-8.90000105.7
219S30.9Very low33Very low99 Ų99116.9 Ų116.969%0.69281%0.807SS**  cis-171.9156.8-7.237.80000106.4
220S32.1Very low32.4Very low94 Ų94114.8 Ų114.866%0.65781%0.805SS**  cis-178.2149.9-24.860.50000107.9
221K31.4Very low32.4Very low202 Ų202120.3 Ų120.388%0.87881%0.809SS**  trans69148.8-178.8-54.3179.1-178.11780113.9
222S31.5Very low32.2Very low116 Ų116121 Ų12181%0.81180%0.802SS**  cis-170.5152.1-13.544.70000110.9
223G30.5Very low32.3Very low76 Ų76125.8 Ų125.878%0.78481%0.809SS**  trans104.595.4148.600000119.4
224S30.3Very low31.9Very low109 Ų109123.9 Ų123.976%0.76281%0.808SS**  45.6145.3128.8-138.40000124.6
225L32.4Very low31.8Very low164 Ų164123.7 Ų123.786%0.85981%0.807SS**  trans78.5126.9158.2-51.1-174.9000121.3
226G33.7Very low31.8Very low75 Ų75123.9 Ų123.977%0.77381%0.808SS**  trans94.6112.8131.100000119.6
227P42.4Very low31.9Very low126 Ų126122 Ų12282%0.81880%0.801SS**  trans-104.6114.1170.134.7-26.9000113.6
228S34Very low31.8Very low132 Ų132124.2 Ų124.292%0.92381%0.812SS**  trans-173.3103.3155-88.70000114.6
229A31.6Very low31.9Very low97 Ų97127 Ų12780%0.80282%0.817SS**  trans-176.8140.5171.100000107.6
230L35.8Very low32.1Very low163 Ų163133.8 Ų133.885%0.85383%0.828SS**  cis-124.5161.1-16.7-102.565.5000105.5
231K30.7Very low32.2Very low188 Ų188141.4 Ų141.482%0.81784%0.843SS**  cis59.91106.5-74.6-173175.6-1800117.1
232T32.7Very low32.2Very low119 Ų119139.7 Ų139.773%0.7384%0.835SS**  cis-168.5152.5-0.2-36.80000107.8
233L31.3Very low32.1Very low179 Ų179141.4 Ų141.494%0.93783%0.83SS**  -175.3157.9128.6-123.766000112.2
234G27.9Very low32.1Very low79 Ų79143.1 Ų143.181%0.81483%0.83SS**  trans126.758.7-178.800000113.5
235S29.8Very low32.1Very low126 Ų126142.4 Ų142.488%0.88183%0.825SS**  trans-136.6111.2-177-178.20000112.3
236A28.9Very low32.1Very low93 Ų93143.3 Ų143.377%0.76983%0.825SS**  trans-175.7146.3153.700000108.9
237S29.8Very low31.8Very low108 Ų108144.7 Ų144.776%0.75582%0.823SS**  cis-171138.3-23.748.80000108.7
238S29.7Very low31.1Very low130 Ų130144.5 Ų144.591%0.90983%0.825SS**  trans-160.7152.5157.9-96.50000113.4
239M31.5Very low31Very low191 Ų191143 Ų14394%0.94182%0.82SS**  trans-89.1161.1-158.4-63.1177.8175.100114.6
240R36.3Very low31Very low242 Ų242146.2 Ų146.291%0.91382%0.818SS**  trans-72.6150.9164.6-62.5175.9170.9-169.7-3.4111.3
241R33.9Very low31.1Very low255 Ų255143.9 Ų143.996%0.96281%0.813SS**  trans-150.7168.9139.5-110.3173.1-163-163.34.1110.7
242K32.2Very low31.2Very low166 Ų166139.7 Ų139.772%0.72281%0.813SS**  trans-147.5142.6-156.2166.2179.9166.9178.90112.3
243E29Very low31.6Very low151 Ų151143.2 Ų143.271%0.70682%0.819SS**  trans75.5156.7161.3-94.4163-159.600122.9
244S30.1Very low32.3Very low112 Ų112144.3 Ų144.378%0.78382%0.816SS**  trans61.5147.3167.1660000121.7
245S30.3Very low33.4Very low94 Ų94150 Ų15066%0.65782%0.818SS**  cis-172.1152.4-33.154.50000111.2
246Q32.2Very low34.4Very low184 Ų184153.9 Ų153.986%0.8682%0.819SS**  trans68.9153.8168-56.1-177.314.400117
247S27Very low35.5Very low103 Ų103154.8 Ų154.872%0.7281%0.806SS**  cis-163.6146.8-25.956.70000110.7
248S29.6Very low37.4Very low123 Ų123152.3 Ų152.386%0.8679%0.788SS**  trans-177161.9155.849.80000112.6
249A30.5Very low38.8Very low99 Ų99149.3 Ų149.382%0.81877%0.771SS**PPolyproline II helixtrans-61.8146.9-163.900000117.6
250Q31.5Very low40.2Very low166 Ų166146.2 Ų146.278%0.77676%0.758SS**PPolyproline II helixtrans-102.6128.1168.2-73.2-84.7-69.500110.9
251P37.8Very low41.3Very low114 Ų114138.5 Ų138.574%0.7474%0.735SS**PPolyproline II helixtrans-78.6155.6151.432.9-31000110.4
252A34.6Very low42.8Very low100 Ų100131.8 Ų131.883%0.82671%0.714SS**PPolyproline II helixtrans-65.7146.2-16500000115.5K254A252-K254 PolarHBondContact O-N 2.98Å
253K39.8Very low44.4Very low193 Ų193128.8 Ų128.884%0.83971%0.705SS**  trans-59.4104.8175.2-65.6174.8-179.71740111.4K255K253-K255 PolarHBondContact O-N 3.37Å
254K45.2Very low46Very low202 Ų202125.9 Ų125.988%0.87869%0.693SS**PPolyproline II helixtrans-62.5122.9156.4-72.8-173.2177.3-177.20107.8A252A252-K254 PolarHBondContact O-N 2.98Å
255K51.3Low47.6Very low198 Ų198124.9 Ų124.986%0.86168%0.675SS**PPolyproline II helixtrans-58.1138.8166.1-68.1-178.2-180179.60107.7K253 K257K253-K255 PolarHBondContact O-N 3.37Å; K255-K257 PolarHBondContact O-N 3.11Å
256K51.8Low49Very low207 Ų207125 Ų12590%0.967%0.668SS**PPolyproline II helixtrans-60.9127168.5-63.4-175.9178.3-174.60107.1
257K51.5Low50.2Low113 Ų113121 Ų12149%0.49165%0.65SS.*PPolyproline II helixtrans-58.8151171.4-80.1-178.4167.2178.80109.2K255 D261 E265K255-K257 PolarHBondContact O-N 3.11Å; K257-D261 HydrophobicContact CB-CB 4.35Å; K257-E265 IonicContact NZ-OE1 3.76Å; K257-E265 PolarHBondContact NZ-OE1 3.35Å; K257-E265 IonicContact NZ-OE2 3.75Å; K257-E265 PolarHBondContact NZ-OE2 3.48Å
258S70.1Confident51.8Low56 Ų56118.7 Ų118.739%0.39263%0.627SS.*PPolyproline II helixtrans-71.6148.9170.4-173.30000109.5L260 D261 E262S258-L260 PolarHBondContact O-N 2.79Å; S258-L260 VanDerWaalsContact O-N 3.14Å; S258-L260 PolarHBondContact OG-N 2.91Å; S258-D261 VanDerWaalsContact CB-OD2 3.32Å; S258-D261 WeakPolarHBondContact CB-OD2 3.31Å; S258-D261 PolarHBondContact N-OD2 2.69Å; S258-D261 WeakPolarHBondContact O-CB 3.35Å; S258-D261 PolarHBondContact O-N 3Å; S258-E262 PolarHBondContact O-N 2.95Å; S258-E262 VanDerWaalsContact O-N 3.11Å
259A59.4Low53Low66 Ų66118.2 Ų118.255%0.54561%0.612SS.*Hα-helixtrans-57.2-27.2170.300000111.7I263A259-I263 WeakPolarHBondContact O-CB 3.15Å; A259-I263 WeakPolarHBondContact O-CD1 3.48Å; A259-I263 WeakPolarHBondContact O-CG1 3.31Å; A259-I263 PolarHBondContact O-N 3.22Å
260L59.8Low54.3Low127 Ų127121 Ų12167%0.66561%0.605SS**Hα-helixtrans-69.3-35.9172.9-71.1164.7000113.1S258 M264S258-L260 PolarHBondContact O-N 2.79Å; S258-L260 VanDerWaalsContact O-N 3.14Å; S258-L260 PolarHBondContact OG-N 2.91Å; L260-M264 VanDerWaalsContact O-CB 3.31Å; L260-M264 WeakPolarHBondContact O-CB 2.97Å; L260-M264 PolarHBondContact O-N 2.95Å
261D59.7Low55.4Low79 Ų79115.8 Ų115.842%0.42258%0.58SS.*Hα-helixtrans-67.8-43.5174.6-58.7-45.3000110K257 S258 M264 E265K257-D261 HydrophobicContact CB-CB 4.35Å; S258-D261 VanDerWaalsContact CB-OD2 3.32Å; S258-D261 WeakPolarHBondContact CB-OD2 3.31Å; S258-D261 PolarHBondContact N-OD2 2.69Å; S258-D261 WeakPolarHBondContact O-CB 3.35Å; S258-D261 PolarHBondContact O-N 3Å; D261-M264 PolarHBondContact O-N 2.82Å; D261-E265 WeakPolarHBondContact O-CB 3.48Å; D261-E265 PolarHBondContact O-N 3.24Å
262E65.3Low56.3Low114 Ų114119.2 Ų119.253%0.53358%0.578SS.*Hα-helixtrans-68.8-37.1-176.9-158.9159.1-123.900111.6S258 L266S258-E262 PolarHBondContact O-N 2.95Å; S258-E262 VanDerWaalsContact O-N 3.11Å; E262-L266 WeakPolarHBondContact O-CB 3.14Å; E262-L266 WeakPolarHBondContact O-CD1 3.45Å; E262-L266 VanDerWaalsContact O-CG 3.26Å; E262-L266 WeakPolarHBondContact O-CG 3.43Å; E262-L266 PolarHBondContact O-N 2.81Å
263I65.2Low57.2Low104 Ų104120.2 Ų120.253%0.53357%0.574SS.*Hα-helixtrans-66.1-40.6169.5-70164.8000111.4A259 L266 E267A259-I263 WeakPolarHBondContact O-CB 3.15Å; A259-I263 WeakPolarHBondContact O-CD1 3.48Å; A259-I263 WeakPolarHBondContact O-CG1 3.31Å; A259-I263 PolarHBondContact O-N 3.22Å; I263-L266 PolarHBondContact O-N 3.49Å; I263-E267 PolarHBondContact O-N 2.97Å
264M63.4Low58.2Low90 Ų90113.3 Ų113.344%0.44355%0.553SS.*Hα-helixtrans-66.6-40.2178.5-168.7-178.9-53.300111.9L260 D261 E267 E268 R378L260-M264 VanDerWaalsContact O-CB 3.31Å; L260-M264 WeakPolarHBondContact O-CB 2.97Å; L260-M264 PolarHBondContact O-N 2.95Å; D261-M264 PolarHBondContact O-N 2.82Å; M264-E267 PolarHBondContact O-N 2.98Å; M264-E268 WeakPolarHBondContact O-CG 3.43Å; M264-E268 PolarHBondContact O-N 3.35Å; M264-R378 PolarHBondContact SD-NH2 3Å; M264-R378 VanDerWaalsContact SD-NH2 3.43Å
265E63.2Low59.2Low90 Ų90109.8 Ų109.842%0.42153%0.534SS..Hα-helixtrans-65.8-42.1176.8-160.5167.6-142.300111K257 D261 E268 E269K257-E265 IonicContact NZ-OE1 3.76Å; K257-E265 PolarHBondContact NZ-OE1 3.35Å; K257-E265 IonicContact NZ-OE2 3.75Å; K257-E265 PolarHBondContact NZ-OE2 3.48Å; D261-E265 WeakPolarHBondContact O-CB 3.48Å; D261-E265 PolarHBondContact O-N 3.24Å; E265-E268 PolarHBondContact O-N 3.45Å; E265-E269 PolarHBondContact O-N 3.22Å
266L59.4Low60.3Low98 Ų98103 Ų10351%0.51351%0.51SS..Hα-helixtrans-66.9-34.2172.7-72.8169.1000113.4E262 I263 K270E262-L266 WeakPolarHBondContact O-CB 3.14Å; E262-L266 WeakPolarHBondContact O-CD1 3.45Å; E262-L266 VanDerWaalsContact O-CG 3.26Å; E262-L266 WeakPolarHBondContact O-CG 3.43Å; E262-L266 PolarHBondContact O-N 2.81Å; I263-L266 PolarHBondContact O-N 3.49Å; L266-K270 WeakPolarHBondContact O-CG 3.39Å; L266-K270 PolarHBondContact O-N 2.87Å
267E58.9Low61.6Low100 Ų10099 Ų9947%0.46750%0.498SS..Hα-helixtrans-65.3-42.4168.5-90.3-152.7169.700111.6I263 M264 E269 K270 K271I263-E267 PolarHBondContact O-N 2.97Å; M264-E267 PolarHBondContact O-N 2.98Å; E267-E269 VanDerWaalsContact C-N 3.33Å; E267-E269 PolarHBondContact O-N 3Å; E267-K270 PolarHBondContact O-N 3.48Å; E267-K271 WeakPolarHBondContact O-CB 3.41Å; E267-K271 WeakPolarHBondContact O-CD 3.33Å; E267-K271 WeakPolarHBondContact O-CG 3.5Å; E267-K271 PolarHBondContact O-N 2.94Å; E267-K271 WeakPolarHBondContact OE2-CE 3.45Å; E267-K271 IonicContact OE2-NZ 3.77Å; E267-K271 PolarHBondContact OE2-NZ 3.38Å
268E59.7Low63.2Low53 Ų5394.1 Ų94.125%0.24848%0.478CS..Hα-helixtrans-64.5-35177.1-77.2-174-159.500112.4M264 E265 K271 R272 R378M264-E268 WeakPolarHBondContact O-CG 3.43Å; M264-E268 PolarHBondContact O-N 3.35Å; E265-E268 PolarHBondContact O-N 3.45Å; E268-K271 CarbonylContact O-C 3.58Å; E268-K271 WeakPolarHBondContact O-CB 3.44Å; E268-K271 PolarHBondContact O-N 3.48Å; E268-R272 VanDerWaalsContact O-CG 3.29Å; E268-R272 WeakPolarHBondContact O-CG 3.41Å; E268-R272 PolarHBondContact O-N 2.89Å; E268-R378 IonicContact OE1-CZ 2.93Å; E268-R378 IonicContact OE1-NH1 2.72Å; E268-R378 PolarHBondContact OE1-NH1 3.12Å; E268-R378 IonicContact OE1-NH2 2.74Å; E268-R378 PolarHBondContact OE1-NH2 2.62Å
269E55.3Low64.1Low114 Ų11493.5 Ų93.553%0.53347%0.467SS..Hα-helixtrans-68.9-44.5172.1-71.8-168.2148.300112.5E265 E267 K271 R272 T273E265-E269 PolarHBondContact O-N 3.22Å; E267-E269 VanDerWaalsContact C-N 3.33Å; E267-E269 PolarHBondContact O-N 3Å; E269-K271 PolarHBondContact O-N 2.83Å; E269-R272 WeakPolarHBondContact O-CB 3.16Å; E269-R272 PolarHBondContact O-N 3.4Å; E269-T273 PolarHBondContact O-N 2.87Å
270K57.8Low65.6Low157 Ų15790.4 Ų90.468%0.68344%0.442SS*.Hα-helixtrans-57.7-40.3171.4-75.8177.1177.5177.20111.7L266 E267 T273 A274L266-K270 WeakPolarHBondContact O-CG 3.39Å; L266-K270 PolarHBondContact O-N 2.87Å; E267-K270 PolarHBondContact O-N 3.48Å; K270-T273 WeakPolarHBondContact CA-OG1 3.2Å; K270-T273 PolarHBondContact O-N 3.25Å; K270-T273 PolarHBondContact O-OG1 3.41Å; K270-A274 PolarHBondContact O-N 3.42Å
271K55.5Low67Low56 Ų5686.8 Ų86.824%0.24342%0.421CS..Hα-helixtrans-65.8-31.9174.7-79.3167.7-163.21680112.9E267 E268 E269 A274 G347 G348E267-K271 WeakPolarHBondContact O-CB 3.41Å; E267-K271 WeakPolarHBondContact O-CD 3.33Å; E267-K271 WeakPolarHBondContact O-CG 3.5Å; E267-K271 PolarHBondContact O-N 2.94Å; E267-K271 WeakPolarHBondContact OE2-CE 3.45Å; E267-K271 IonicContact OE2-NZ 3.77Å; E267-K271 PolarHBondContact OE2-NZ 3.38Å; E268-K271 CarbonylContact O-C 3.58Å; E268-K271 WeakPolarHBondContact O-CB 3.44Å; E268-K271 PolarHBondContact O-N 3.48Å; E269-K271 PolarHBondContact O-N 2.83Å; K271-A274 WeakPolarHBondContact O-CB 3.18Å; K271-A274 PolarHBondContact O-N 2.9Å; K271-G347 CarbonylContact O-C 3.6Å; K271-G348 VanDerWaalsContact O-CA 3.31Å; K271-G348 WeakPolarHBondContact O-CA 3.42Å; K271-G348 PolarHBondContact O-N 3.21Å
272R54.9Low68.5Low186 Ų18686.3 Ų86.370%0.70242%0.423SS*.Hα-helixtrans-69-37.7168.8-70.8166.8-168.2-139.42.8112.1E268 E269 A274E268-R272 VanDerWaalsContact O-CG 3.29Å; E268-R272 WeakPolarHBondContact O-CG 3.41Å; E268-R272 PolarHBondContact O-N 2.89Å; E269-R272 WeakPolarHBondContact O-CB 3.16Å; E269-R272 PolarHBondContact O-N 3.4Å; R272-A274 PolarHBondContact O-N 2.81Å
273T54.1Low69.7Low122 Ų12282.5 Ų82.575%0.74841%0.414SS*.THydrogen-bonded Turntrans-70.3-7.8175.561.10000114.4E269 K270 R275E269-T273 PolarHBondContact O-N 2.87Å; K270-T273 WeakPolarHBondContact CA-OG1 3.2Å; K270-T273 PolarHBondContact O-N 3.25Å; K270-T273 PolarHBondContact O-OG1 3.41Å; T273-R275 VanDerWaalsContact C-N 3.25Å; T273-R275 PolarHBondContact O-N 3.19Å
274A60.9Low71.1Confident48 Ų4877.6 Ų77.640%0.39739%0.389SS..THydrogen-bonded Turntrans-819.4176.100000114.6K270 K271 R272 T276K270-A274 PolarHBondContact O-N 3.42Å; K271-A274 WeakPolarHBondContact O-CB 3.18Å; K271-A274 PolarHBondContact O-N 2.9Å; R272-A274 PolarHBondContact O-N 2.81Å; A274-T276 PolarHBondContact O-N 2.78Å; A274-T276 VanDerWaalsContact O-N 3.16Å
275R66.4Low72.6Confident127 Ų12773.9 Ų73.948%0.47937%0.371SS..  trans-66.6111.9175.2-168.8-177.3-174.9122.9-5.3110.2T273 N346 E386 D387T273-R275 VanDerWaalsContact C-N 3.25Å; T273-R275 PolarHBondContact O-N 3.19Å; R275-N346 WeakPolarHBondContact CA-OD1 3.37Å; R275-E386 IonicContact NH2-OE2 2.69Å; R275-E386 PolarHBondContact NH2-OE2 2.88Å; R275-D387 IonicContact CZ-OD1 2.77Å; R275-D387 IonicContact NH1-OD1 2.72Å; R275-D387 IonicContact NH1-OD2 2.61Å
276T74.6Confident74.1Confident57 Ų5769.6 Ų69.635%0.3535%0.351SS..  trans-102.4153.4176.161.40000111.6A274 S278 N346 R350A274-T276 PolarHBondContact O-N 2.78Å; A274-T276 VanDerWaalsContact O-N 3.16Å; T276-S278 VanDerWaalsContact C-N 3.34Å; T276-S278 PolarHBondContact O-N 3.26Å; T276-S278 PolarHBondContact OG1-O 2.99Å; T276-N346 PolarHBondContact N-OD1 2.62Å; T276-N346 PolarHBondContact O-ND2 2.96Å; T276-N346 PolarHBondContact O-OD1 3.22Å; T276-R350 PolarHBondContact OG1-NH1 3Å
277D78.5Confident75.8Confident121 Ų12167.4 Ų67.465%0.64734%0.337SS*.SBendtrans-66.3-32.9175.9-166.651.9000113.2Y311 Q328D277-Y311 HydrophobicContact CB-CE1 4.31Å; D277-Y311 WeakPolarHBondContact OD2-CE1 3.49Å; D277-Q328 PolarHBondContact O-NE2 2.66Å
278S84.3Confident77.4Confident12 Ų1262.6 Ų62.68%0.08432%0.315CS..  trans-82.9112.1172.7163.30000111.1T276 R310 R350T276-S278 VanDerWaalsContact C-N 3.34Å; T276-S278 PolarHBondContact O-N 3.26Å; T276-S278 PolarHBondContact OG1-O 2.99Å; S278-R310 PolarHBondContact OG-O 3.35Å; S278-R350 PolarHBondContact O-NH2 3.28Å
279W89.4Confident79Confident42 Ų4263.5 Ų63.516%0.15932%0.32CS..  trans-104.5-18177.959.8-98.7000113.9Q281 I284 V286 Q328 L331 T333 L345W279-Q281 PolarHBondContact O-N 3.01Å; W279-I284 HydrophobicContact CZ3-CD1 4.43Å; W279-V286 HydrophobicContact CH2-CG1 4.32Å; W279-V286 HydrophobicContact CZ3-CG1 4.2Å; W279-Q328 HydrophobicContact CZ2-CB 4.06Å; W279-L331 HydrophobicContact CH2-CB 3.97Å; W279-L331 HydrophobicContact CZ2-CB 4.3Å; W279-T333 HydrophobicContact CE3-CG2 4.24Å; W279-T333 HydrophobicContact CH2-CG2 4.24Å; W279-T333 HydrophobicContact CZ3-CG2 3.87Å; W279-L345 HydrophobicContact CB-CB 4.42Å; W279-L345 HydrophobicContact CE3-CD1 3.9Å; W279-L345 HydrophobicContact CZ3-CD1 4.37Å
280L90.8Very high80.5Confident1 Ų158.6 Ų58.61%0.00530%0.298CS..  trans-59.3136.3-177.8-74.5173.9000112.7V307 Y311 A313 Q328 L331L280-V307 HydrophobicContact CB-CG1 3.9Å; L280-V307 HydrophobicContact CB-CG2 3.99Å; L280-V307 HydrophobicContact CD1-CG1 4.4Å; L280-Y311 VanDerWaalsContact CD1-O 3.22Å; L280-Y311 WeakPolarHBondContact CD1-O 3.4Å; L280-A313 HydrophobicContact CD1-CB 3.86Å; L280-A313 HydrophobicContact CD2-CB 4.09Å; L280-Q328 HydrophobicContact CD1-CB 3.71Å; L280-Q328 HydrophobicContact CD2-CB 4.46Å; L280-Q328 HydrophobicContact CG-CB 3.81Å; L280-L331 HydrophobicContact CD2-CD1 3.95Å
281Q89.6Confident81.9Confident51 Ų5157.1 Ų57.124%0.23829%0.292CS..  trans-135.7151.3172.3-65.3-64.8-75.600109.5W279 I284 V304 L343 L345W279-Q281 PolarHBondContact O-N 3.01Å; Q281-I284 WeakPolarHBondContact O-CG1 3.38Å; Q281-V304 WeakPolarHBondContact O-CG1 3.26Å; Q281-L343 HydrophobicContact CB-CD2 3.74Å; Q281-L343 HydrophobicContact CG-CD2 4.14Å; Q281-L345 HydrophobicContact CB-CD2 4.02Å; Q281-L345 HydrophobicContact CG-CD2 3.88Å
282P91.9Very high83.2Confident70 Ų7062.2 Ų62.246%0.45531%0.314SS..THydrogen-bonded Turntrans-69.2159.2170.431.7-35.5000111.3I284P282-I284 VanDerWaalsContact C-N 3.34Å; P282-I284 PolarHBondContact O-N 3.06Å
283G90.8Very high84.2Confident34 Ų3456.8 Ų56.835%0.35130%0.298SS..THydrogen-bonded Turntrans80717400000115.7V304 A392G283-V304 PolarHBondContact N-O 3.31Å; G283-A392 VanDerWaalsContact O-CB 3.27Å; G283-A392 WeakPolarHBondContact O-CB 3.38Å; G283-A392 PolarHBondContact O-N 3.48Å
284I94.3Very high85.3Confident0 Ų052.5 Ų52.50%028%0.278CS..BIsolated β-bridgetrans-104156176.871.1-176.1000112.2W279 Q281 P282 V286 V303 V304 L343 L345 K390W279-I284 HydrophobicContact CZ3-CD1 4.43Å; Q281-I284 WeakPolarHBondContact O-CG1 3.38Å; P282-I284 VanDerWaalsContact C-N 3.34Å; P282-I284 PolarHBondContact O-N 3.06Å; I284-V286 HydrophobicContact CD1-CG1 4.14Å; I284-V286 HydrophobicContact CG1-CG1 4.18Å; I284-V303 WeakPolarHBondContact O-CA 3.38Å; I284-V304 HydrophobicContact CD1-CG2 4.33Å; I284-V304 HydrophobicContact CG1-CB 4.12Å; I284-V304 HydrophobicContact CG1-CG2 3.73Å; I284-V304 PolarHBondContact O-N 2.99Å; I284-L343 HydrophobicContact CG2-CB 3.9Å; I284-L343 HydrophobicContact CG2-CD2 3.62Å; I284-L343 HydrophobicContact CG2-CG 4.38Å; I284-L345 HydrophobicContact CD1-CD1 4.35Å; I284-L345 HydrophobicContact CD1-CD2 3.72Å; I284-L345 HydrophobicContact CG2-CD2 4.15Å; I284-K390 WeakPolarHBondContact CA-O 3.28Å
285I94.3Very high86.3Confident12 Ų1256.8 Ų56.86%0.06229%0.29CS..EExtended strand (participates in β ladder)trans-88.1134.9166.9-52.4-161.3000109.2K301 G302 V303 I318 V334 S389 K390 A392I285-K301 HydrophobicContact CG2-CB 4.19Å; I285-G302 WeakPolarHBondContact CA-O 3.34Å; I285-V303 HydrophobicContact CG1-CG2 4.35Å; I285-I318 HydrophobicContact CD1-CD1 4.08Å; I285-I318 HydrophobicContact CG2-CD1 4.22Å; I285-V334 HydrophobicContact CG2-CB 4.33Å; I285-V334 HydrophobicContact CG2-CG1 4.46Å; I285-V334 HydrophobicContact CG2-CG2 4.16Å; I285-S389 PolarHBondContact O-OG 3.07Å; I285-K390 HydrophobicContact CB-CB 4.48Å; I285-K390 HydrophobicContact CD1-CD 3.98Å; I285-K390 HydrophobicContact CD1-CG 4.25Å; I285-K390 HydrophobicContact CG1-CG 4.26Å; I285-K390 PolarHBondContact N-O 3.49Å; I285-A392 HydrophobicContact CG1-CB 4.21Å
286V95.1Very high87.2Confident0 Ų057.1 Ų57.10%030%0.295CS..EExtended strand (participates in β ladder)trans-125.5157.5172.7-700000110.4W279 I284 K301 G302 V304 V315 L331 E332W279-V286 HydrophobicContact CH2-CG1 4.32Å; W279-V286 HydrophobicContact CZ3-CG1 4.2Å; I284-V286 HydrophobicContact CD1-CG1 4.14Å; I284-V286 HydrophobicContact CG1-CG1 4.18Å; V286-K301 WeakPolarHBondContact O-CA 3.4Å; V286-G302 PolarHBondContact N-O 2.96Å; V286-G302 PolarHBondContact O-N 3.5Å; V286-V304 HydrophobicContact CB-CG2 4.45Å; V286-V304 HydrophobicContact CG1-CG2 3.82Å; V286-V304 HydrophobicContact CG2-CG2 3.77Å; V286-V315 HydrophobicContact CG2-CG1 3.97Å; V286-V315 HydrophobicContact CG2-CG2 3.94Å; V286-L331 HydrophobicContact CB-CB 4.45Å; V286-L331 HydrophobicContact CB-CD2 4.38Å; V286-L331 HydrophobicContact CG2-CD1 4.38Å; V286-L331 HydrophobicContact CG2-CD2 3.96Å; V286-E332 WeakPolarHBondContact CA-O 3.47Å
287K94.4Very high87.7Confident52 Ų5255.1 Ų55.123%0.22628%0.281CS..EExtended strand (participates in β ladder)trans-110.3131.6174.7167.7-175.1165.6-147.90108.5K300 E332 V334K287-K300 WeakPolarHBondContact CA-O 3.46Å; K287-E332 HydrophobicContact CB-CB 4.24Å; K287-E332 WeakPolarHBondContact CD-OE1 3.48Å; K287-E332 VanDerWaalsContact CE-OE2 3.27Å; K287-E332 WeakPolarHBondContact CE-OE2 3.28Å; K287-E332 PolarHBondContact N-O 2.82Å; K287-E332 IonicContact NZ-OE1 3.02Å; K287-E332 PolarHBondContact NZ-OE1 3.36Å; K287-E332 IonicContact NZ-OE2 3.97Å; K287-E332 PolarHBondContact NZ-OE2 3.36Å; K287-E332 PolarHBondContact O-N 3.24Å; K287-V334 HydrophobicContact CB-CG2 3.73Å
288I93.2Very high88.2Confident0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-86122.3-177.8-62.6175.4000109.3T290 Y297 K299 K300 M317 L324 L326 L331I288-T290 HydrophobicContact CG2-CG2 3.86Å; I288-Y297 WeakPolarHBondContact CB-O 3.44Å; I288-K299 WeakPolarHBondContact O-CA 3.39Å; I288-K299 PolarHBondContact O-N 3.34Å; I288-K300 PolarHBondContact N-O 3.01Å; I288-M317 HydrophobicContact CD1-CE 3.97Å; I288-M317 HydrophobicContact CD1-SD 3.39Å; I288-M317 WeakPolarHBondContact CD1-SD 3.02Å; I288-L324 HydrophobicContact CD1-CD1 3.9Å; I288-L326 HydrophobicContact CB-CD1 4.5Å; I288-L326 HydrophobicContact CD1-CD1 3.68Å; I288-L326 HydrophobicContact CG1-CD1 3.82Å; I288-L326 HydrophobicContact CG2-CD1 3.91Å; I288-L331 HydrophobicContact CG1-CD2 3.84Å
289I92.1Very high88.4Confident71 Ų7157.8 Ų57.836%0.36429%0.287SS..  trans-104.3-12.1-179.756.8167000113.7H298 H330 E332I289-H298 PolarHBondContact O-CD2 2.94Å; I289-H330 VanDerWaalsContact CG1-C 3.46Å; I289-H330 VanDerWaalsContact CG1-O 3.31Å; I289-H330 WeakPolarHBondContact CG1-O 3.36Å; I289-H330 PolarHBondContact N-O 3.35Å; I289-E332 HydrophobicContact CG2-CB 3.77Å; I289-E332 WeakPolarHBondContact CG2-OE2 3.4Å
290T88.3Confident88.6Confident11 Ų1159.6 Ų59.67%0.06730%0.295CS..  trans-73.5138.9177.4-168.80000112.7I288 K292 L326 H330I288-T290 HydrophobicContact CG2-CG2 3.86Å; T290-K292 WeakPolarHBondContact OG1-CB 3.44Å; T290-K292 WeakPolarHBondContact OG1-CG 3.49Å; T290-K292 PolarHBondContact OG1-N 3.44Å; T290-K292 VanDerWaalsContact OG1-N 3.15Å; T290-L326 HydrophobicContact CG2-CD2 3.93Å; T290-H330 HydrophobicContact CG2-CB 3.86Å
291K87.3Confident88.7Confident126 Ų12664.5 Ų64.555%0.54832%0.317SS..SBendtrans-87.8-11.3167.1-62-169.7176.4-160.80113.1L293 G294 E295K291-L293 PolarHBondContact O-N 3.23Å; K291-G294 PolarHBondContact O-N 2.83Å; K291-E295 IonicContact NZ-OE1 3.98Å
292K82.2Confident88.9Confident164 Ų16462.1 Ų62.171%0.71331%0.305SS*.THydrogen-bonded Turntrans-64.3-24.1-170.8-64.4178.1-179176.80114.2T290 G294T290-K292 WeakPolarHBondContact OG1-CB 3.44Å; T290-K292 WeakPolarHBondContact OG1-CG 3.49Å; T290-K292 PolarHBondContact OG1-N 3.44Å; T290-K292 VanDerWaalsContact OG1-N 3.15Å; K292-G294 VanDerWaalsContact C-N 3.32Å
293L76.4Confident89.1Confident71 Ų7160.1 Ų60.137%0.37229%0.292SS..THydrogen-bonded Turntrans-92.813.8176.6-64.2176.2000113.2K291 Y297 L324 L326K291-L293 PolarHBondContact O-N 3.23Å; L293-Y297 HydrophobicContact CB-CD2 3.95Å; L293-Y297 WeakPolarHBondContact O-CD2 3.47Å; L293-L324 HydrophobicContact CD1-CD1 4.14Å; L293-L324 HydrophobicContact CD1-CD2 4.41Å; L293-L326 HydrophobicContact CD1-CD1 4.13Å; L293-L326 HydrophobicContact CD1-CD2 3.61Å; L293-L326 HydrophobicContact CD1-CG 3.96Å
294G76.4Confident89.3Confident32 Ų3258.5 Ų58.533%0.3328%0.275SS..  trans87.2152.6-17500000113K291 K292 K296 Y297K291-G294 PolarHBondContact O-N 2.83Å; K292-G294 VanDerWaalsContact C-N 3.32Å; G294-K296 PolarHBondContact O-N 2.8Å; G294-K296 VanDerWaalsContact O-N 3.13Å; G294-Y297 PolarHBondContact O-N 3.43Å
295E82.1Confident89.2Confident138 Ų13864.5 Ų64.565%0.64530%0.301SS*.G310 helixtrans-65.4-20.5-172.2-56.3-158.7125.900113.5K291 Y297 H298K291-E295 IonicContact NZ-OE1 3.98Å; E295-Y297 PolarHBondContact O-N 2.91Å; E295-Y297 VanDerWaalsContact O-N 3.11Å; E295-H298 PolarHBondContact O-N 3.24Å
296K84.4Confident89.1Confident135 Ų13568.3 Ų68.359%0.58732%0.319SS*.G310 helixtrans-53.1-29.1174.954.7163.7171.2162.90114.8G294 K300G294-K296 PolarHBondContact O-N 2.8Å; G294-K296 VanDerWaalsContact O-N 3.13Å; K296-K300 WeakPolarHBondContact O-CG 3.44Å
297Y85.3Confident88.9Confident14 Ų1470.6 Ų70.66%0.05533%0.333CS..G310 helixtrans-104.1-10.8178.7-55-54.4000113.5I288 L293 G294 E295 K299 K300 M317 D322 L324I288-Y297 WeakPolarHBondContact CB-O 3.44Å; L293-Y297 HydrophobicContact CB-CD2 3.95Å; L293-Y297 WeakPolarHBondContact O-CD2 3.47Å; G294-Y297 PolarHBondContact O-N 3.43Å; E295-Y297 PolarHBondContact O-N 2.91Å; E295-Y297 VanDerWaalsContact O-N 3.11Å; Y297-K299 PolarHBondContact O-N 2.99Å; Y297-K300 WeakPolarHBondContact O-CB 3.15Å; Y297-K300 PolarHBondContact O-N 3.05Å; Y297-K300 VanDerWaalsContact O-N 3.15Å; Y297-M317 HydrophobicContact CD1-CE 4.13Å; Y297-M317 HydrophobicContact CD1-CG 4.11Å; Y297-M317 HydrophobicContact CD1-SD 4.25Å; Y297-M317 HydrophobicContact CE1-CG 4.11Å; Y297-D322 HydrophobicContact CE1-CB 4.44Å; Y297-D322 VanDerWaalsContact CE1-OD2 3.24Å; Y297-D322 WeakPolarHBondContact CE1-OD2 3.29Å; Y297-D322 VanDerWaalsContact CZ-OD2 3.29Å; Y297-D322 PolarHBondContact OH-OD2 3.3Å; Y297-L324 HydrophobicContact CD1-CD1 4.09Å; Y297-L324 HydrophobicContact CD2-CD1 3.84Å; Y297-L324 HydrophobicContact CE1-CD1 4.32Å; Y297-L324 HydrophobicContact CE2-CD1 4.06Å; Y297-L324 HydrophobicContact CE2-CD2 4.09Å; Y297-L324 HydrophobicContact CG-CD1 3.85Å
298H88.9Confident88.7Confident51 Ų5170.9 Ų70.924%0.23634%0.336CS..THydrogen-bonded Turntrans-68.1130.9-177.9172.5-124.8000110.8I289 E295 K300I289-H298 PolarHBondContact O-CD2 2.94Å; E295-H298 PolarHBondContact O-N 3.24Å; H298-K300 PolarHBondContact O-N 2.78Å; H298-K300 VanDerWaalsContact O-N 3.16Å
299K89.4Confident88.3Confident139 Ų13976.7 Ų76.760%0.60437%0.367SS*.THydrogen-bonded Turntrans61.44.9-170.9-56.4-179.9178.2-179.80115.6I288 Y297I288-K299 WeakPolarHBondContact O-CA 3.39Å; I288-K299 PolarHBondContact O-N 3.34Å; Y297-K299 PolarHBondContact O-N 2.99Å
300K92.6Very high87.8Confident80 Ų8082.4 Ų82.435%0.34838%0.384SS..  trans-76.3160173.8-65.2-61.7-159.8164.30111.6K287 I288 K296 Y297 H298 M317 D319K287-K300 WeakPolarHBondContact CA-O 3.46Å; I288-K300 PolarHBondContact N-O 3.01Å; K296-K300 WeakPolarHBondContact O-CG 3.44Å; Y297-K300 WeakPolarHBondContact O-CB 3.15Å; Y297-K300 PolarHBondContact O-N 3.05Å; Y297-K300 VanDerWaalsContact O-N 3.15Å; H298-K300 PolarHBondContact O-N 2.78Å; H298-K300 VanDerWaalsContact O-N 3.16Å; K300-M317 HydrophobicContact CB-CE 3.43Å; K300-M317 VanDerWaalsContact CB-CE 3.43Å; K300-M317 HydrophobicContact CG-CE 4.42Å; K300-D319 WeakPolarHBondContact CD-OD2 3.4Å; K300-D319 WeakPolarHBondContact CE-OD2 3.25Å; K300-D319 IonicContact NZ-OD2 2.68Å; K300-D319 PolarHBondContact NZ-OD2 3.38Å
301K93.8Very high87.8Confident104 Ų10486.1 Ų86.145%0.45240%0.398SS..EExtended strand (participates in β ladder)trans-104.8143.5-179-64.3179-177.5177.70111.2I285 V286 M317 I318I285-K301 HydrophobicContact CG2-CB 4.19Å; V286-K301 WeakPolarHBondContact O-CA 3.4Å; K301-M317 WeakPolarHBondContact O-CE 3.11Å; K301-I318 HydrophobicContact CB-CD1 4.05Å; K301-I318 PolarHBondContact O-N 2.64Å
302G93.7Very high88Confident0 Ų081.3 Ų81.30%038%0.379CS..EExtended strand (participates in β ladder)trans-144.8158.3178.100000111.7I285 V286 K316I285-G302 WeakPolarHBondContact CA-O 3.34Å; V286-G302 PolarHBondContact N-O 2.96Å; V286-G302 PolarHBondContact O-N 3.5Å; G302-K316 CarbonylContact C-O 3.6Å; G302-K316 WeakPolarHBondContact CA-O 3.33Å
303V95.3Very high88.5Confident28 Ų2873.5 Ų73.517%0.1735%0.345CS..EExtended strand (participates in β ladder)trans-97.9126.5176.6176.20000109.1I284 I285 K305 V315 K316 I318 A392I284-V303 WeakPolarHBondContact O-CA 3.38Å; I285-V303 HydrophobicContact CG1-CG2 4.35Å; V303-K305 PolarHBondContact O-N 2.83Å; V303-V315 CarbonylContact O-C 3.46Å; V303-V315 WeakPolarHBondContact O-CA 3.48Å; V303-K316 PolarHBondContact N-O 3.44Å; V303-K316 PolarHBondContact O-N 2.83Å; V303-I318 HydrophobicContact CG2-CD1 4.26Å; V303-I318 HydrophobicContact CG2-CG1 4.13Å; V303-A392 HydrophobicContact CB-CB 4.48Å; V303-A392 HydrophobicContact CG1-CB 3.65Å; V303-A392 HydrophobicContact CG2-CB 4.02Å
304V95.3Very high89.3Confident1 Ų170.8 Ų70.81%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-69.5115.6170.3-175.60000108.6Q281 G283 I284 V286 V307 A313 V315Q281-V304 WeakPolarHBondContact O-CG1 3.26Å; G283-V304 PolarHBondContact N-O 3.31Å; I284-V304 HydrophobicContact CD1-CG2 4.33Å; I284-V304 HydrophobicContact CG1-CB 4.12Å; I284-V304 HydrophobicContact CG1-CG2 3.73Å; I284-V304 PolarHBondContact O-N 2.99Å; V286-V304 HydrophobicContact CB-CG2 4.45Å; V286-V304 HydrophobicContact CG1-CG2 3.82Å; V286-V304 HydrophobicContact CG2-CG2 3.77Å; V304-V307 HydrophobicContact CG1-CG2 3.78Å; V304-A313 HydrophobicContact CG1-CB 3.88Å; V304-A313 HydrophobicContact CG2-CB 4.25Å; V304-V315 HydrophobicContact CG2-CG2 4.45Å
305K93.6Very high90.1Very high125 Ų12569.2 Ų69.254%0.54332%0.315SS..EExtended strand (participates in β ladder)trans-89-50176.1-81.7-71.9177.9-173.80111.9V303 V314 K316V303-K305 PolarHBondContact O-N 2.83Å; K305-V314 PolarHBondContact N-O 3.34Å; K305-K316 HydrophobicContact CG-CB 4.29Å
306E91.4Very high90.7Very high93 Ų9367.2 Ų67.244%0.43530%0.304SS..EExtended strand (participates in β ladder)trans-133155.4-179.6-63.8128.8-174.300109.6V314 R323E306-V314 HydrophobicContact CB-CB 4.22Å; E306-V314 HydrophobicContact CB-CG2 4.3Å; E306-V314 PolarHBondContact O-N 3.41Å; E306-R323 IonicContact OE1-NH2 3.24Å; E306-R323 PolarHBondContact OE1-NH2 3.21Å; E306-R323 IonicContact OE2-NH2 2.75Å; E306-R323 PolarHBondContact OE2-NH2 3.16Å
307V91.6Very high91.1Very high47 Ų4761 Ų6129%0.28528%0.277SS..EExtended strand (participates in β ladder)trans-122.5124.4170.7-177.10000108.3L280 V304L280-V307 HydrophobicContact CB-CG1 3.9Å; L280-V307 HydrophobicContact CB-CG2 3.99Å; L280-V307 HydrophobicContact CD1-CG1 4.4Å; V304-V307 HydrophobicContact CG1-CG2 3.78Å
308I90.4Very high91.3Very high59 Ų5964.7 Ų64.730%0.30330%0.297SS..EExtended strand (participates in β ladder)trans-112.9141.1-176.9-48.7178000107.6R310 T312 V314I308-R310 PolarHBondContact O-N 3.02Å; I308-T312 PolarHBondContact N-O 3.2Å; I308-T312 PolarHBondContact O-N 3.29Å; I308-T312 VanDerWaalsContact O-O 3.11Å; I308-V314 HydrophobicContact CD1-CG2 3.63Å; I308-V314 HydrophobicContact CG1-CG2 4.19Å
309D83.4Confident91.3Very high122 Ų12266.8 Ų66.865%0.65231%0.31SS*.THydrogen-bonded Turntrans54.122.7176.8-50.1-40.9000114.8Y311D309-Y311 VanDerWaalsContact O-CD2 3.27Å; D309-Y311 WeakPolarHBondContact O-CD2 3.37Å; D309-Y311 PolarHBondContact O-N 3.16Å
310R83Confident91Very high190 Ų19063.2 Ų63.272%0.71730%0.303SS*.THydrogen-bonded Turntrans63.9-25.5-175.4-52.8179.6-178173.20.6116.2S278 I308S278-R310 PolarHBondContact OG-O 3.35Å; I308-R310 PolarHBondContact O-N 3.02Å
311Y87.6Confident90.7Very high90 Ų9061 Ų6135%0.35330%0.303SS..THydrogen-bonded Turntrans-107.1-14.2-175.9-61-77.9000114.3D277 L280 D309 D327 Q328D277-Y311 HydrophobicContact CB-CE1 4.31Å; D277-Y311 WeakPolarHBondContact OD2-CE1 3.49Å; L280-Y311 VanDerWaalsContact CD1-O 3.22Å; L280-Y311 WeakPolarHBondContact CD1-O 3.4Å; D309-Y311 VanDerWaalsContact O-CD2 3.27Å; D309-Y311 WeakPolarHBondContact O-CD2 3.37Å; D309-Y311 PolarHBondContact O-N 3.16Å; Y311-D327 CarbonylContact O-C 3.54Å; Y311-D327 WeakPolarHBondContact O-CA 3.49Å; Y311-Q328 HydrophobicContact CD1-CG 4.34Å; Y311-Q328 PolarHBondContact O-N 3.07Å
312T90.2Very high90.5Very high24 Ų2459.1 Ų59.115%0.14730%0.298CS..EExtended strand (participates in β ladder)trans-114.2119.8-175.8-61.80000112.7I308 K325 L326I308-T312 PolarHBondContact N-O 3.2Å; I308-T312 PolarHBondContact O-N 3.29Å; I308-T312 VanDerWaalsContact O-O 3.11Å; T312-K325 HydrophobicContact CG2-CD 4Å; T312-K325 HydrophobicContact CG2-CG 3.33Å; T312-L326 CarbonylContact C-O 3.45Å; T312-L326 WeakPolarHBondContact CA-O 3.34Å
313A92.7Very high90.4Very high0 Ų066.6 Ų66.60%033%0.326CS..EExtended strand (participates in β ladder)trans-88.1145.6173.700000112.4L280 V304 V315 K325 L326 L331L280-A313 HydrophobicContact CD1-CB 3.86Å; L280-A313 HydrophobicContact CD2-CB 4.09Å; V304-A313 HydrophobicContact CG1-CB 3.88Å; V304-A313 HydrophobicContact CG2-CB 4.25Å; A313-V315 HydrophobicContact CB-CG2 3.75Å; A313-K325 WeakPolarHBondContact O-CA 3.49Å; A313-L326 PolarHBondContact N-O 3.21Å; A313-L326 PolarHBondContact O-N 2.89Å; A313-L331 HydrophobicContact CB-CD1 3.82Å
314V93.7Very high90.2Very high14 Ų1466.4 Ų66.49%0.08532%0.324CS..EExtended strand (participates in β ladder)trans-94.6101.2157.9-1780000107.5K305 E306 I308K305-V314 PolarHBondContact N-O 3.34Å; E306-V314 HydrophobicContact CB-CB 4.22Å; E306-V314 HydrophobicContact CB-CG2 4.3Å; E306-V314 PolarHBondContact O-N 3.41Å; I308-V314 HydrophobicContact CD1-CG2 3.63Å; I308-V314 HydrophobicContact CG1-CG2 4.19Å
315V93.9Very high90.1Very high0 Ų072.5 Ų72.50%035%0.35CS..EExtended strand (participates in β ladder)trans-95.4126.8-177-176.30000109.4V286 V303 V304 A313 R323 L324 L331V286-V315 HydrophobicContact CG2-CG1 3.97Å; V286-V315 HydrophobicContact CG2-CG2 3.94Å; V303-V315 CarbonylContact O-C 3.46Å; V303-V315 WeakPolarHBondContact O-CA 3.48Å; V304-V315 HydrophobicContact CG2-CG2 4.45Å; A313-V315 HydrophobicContact CB-CG2 3.75Å; V315-R323 WeakPolarHBondContact O-CA 3.13Å; V315-L324 PolarHBondContact N-O 3.37Å; V315-L324 PolarHBondContact O-N 2.98Å; V315-L331 HydrophobicContact CG2-CD1 4.07Å; V315-L331 HydrophobicContact CG2-CD2 4.19Å
316K94.2Very high90Very high95 Ų9567 Ų6741%0.41333%0.327SS..EExtended strand (participates in β ladder)trans-94.1123.2167.4-168.8-178179.2-178.40109.7G302 V303 K305 G321 D322G302-K316 CarbonylContact C-O 3.6Å; G302-K316 WeakPolarHBondContact CA-O 3.33Å; V303-K316 PolarHBondContact N-O 3.44Å; V303-K316 PolarHBondContact O-N 2.83Å; K305-K316 HydrophobicContact CG-CB 4.29Å; K316-G321 WeakPolarHBondContact CE-O 3.38Å; K316-G321 VanDerWaalsContact CG-O 3.3Å; K316-G321 WeakPolarHBondContact CG-O 2.99Å; K316-D322 CarbonylContact C-O 3.53Å; K316-D322 WeakPolarHBondContact CA-O 3.23Å
317M92.6Very high90Very high4 Ų464.7 Ų64.72%0.0232%0.317CS..EExtended strand (participates in β ladder)trans-63.7136.9176.5-62.5-49.5-60.100111.2I288 Y297 K300 K301 G321 D322 L324I288-M317 HydrophobicContact CD1-CE 3.97Å; I288-M317 HydrophobicContact CD1-SD 3.39Å; I288-M317 WeakPolarHBondContact CD1-SD 3.02Å; Y297-M317 HydrophobicContact CD1-CE 4.13Å; Y297-M317 HydrophobicContact CD1-CG 4.11Å; Y297-M317 HydrophobicContact CD1-SD 4.25Å; Y297-M317 HydrophobicContact CE1-CG 4.11Å; K300-M317 HydrophobicContact CB-CE 3.43Å; K300-M317 VanDerWaalsContact CB-CE 3.43Å; K300-M317 HydrophobicContact CG-CE 4.42Å; K301-M317 WeakPolarHBondContact O-CE 3.11Å; M317-G321 WeakPolarHBondContact O-CA 3.19Å; M317-G321 PolarHBondContact O-N 3.04Å; M317-G321 VanDerWaalsContact O-N 3.14Å; M317-D322 HydrophobicContact CB-CB 4.39Å; M317-D322 HydrophobicContact CG-CB 3.97Å; M317-D322 PolarHBondContact N-O 3.39Å; M317-L324 HydrophobicContact CG-CD1 4.13Å; M317-L324 HydrophobicContact SD-CD1 3.8Å
318I90.1Very high90Very high93 Ų9363.3 Ų63.348%0.47731%0.308SS..THydrogen-bonded Turntrans-74.3-50.8175.2-62.8171.6000109.3I285 K301 V303I285-I318 HydrophobicContact CD1-CD1 4.08Å; I285-I318 HydrophobicContact CG2-CD1 4.22Å; K301-I318 HydrophobicContact CB-CD1 4.05Å; K301-I318 PolarHBondContact O-N 2.64Å; V303-I318 HydrophobicContact CG2-CD1 4.26Å; V303-I318 HydrophobicContact CG2-CG1 4.13Å
319D88.3Confident90Very high94 Ų9464.8 Ų64.850%0.50332%0.319SS..THydrogen-bonded Turntrans-66.8-39.3-177.5-57.138.2000113.8K300K300-D319 WeakPolarHBondContact CD-OD2 3.4Å; K300-D319 WeakPolarHBondContact CE-OD2 3.25Å; K300-D319 IonicContact NZ-OD2 2.68Å; K300-D319 PolarHBondContact NZ-OD2 3.38Å
320S84.1Confident90.4Very high64 Ų6462.2 Ų62.245%0.44830%0.303SS..THydrogen-bonded Turntrans-114-10.1-167.9-49.30000114.4D322S320-D322 WeakPolarHBondContact CB-OD2 3.48Å; S320-D322 PolarHBondContact O-N 3.25Å
321G86.1Confident90.8Very high34 Ų3453.6 Ų53.635%0.35127%0.271SS..  trans70.5-16.7-17600000116.4K316 M317K316-G321 WeakPolarHBondContact CE-O 3.38Å; K316-G321 VanDerWaalsContact CG-O 3.3Å; K316-G321 WeakPolarHBondContact CG-O 2.99Å; M317-G321 WeakPolarHBondContact O-CA 3.19Å; M317-G321 PolarHBondContact O-N 3.04Å; M317-G321 VanDerWaalsContact O-N 3.14Å
322D90.1Very high91.1Very high64 Ų6452.8 Ų52.834%0.34227%0.271SS..  trans-49.4144.2178.4-65.5-39.2000113.8Y297 K316 M317 S320Y297-D322 HydrophobicContact CE1-CB 4.44Å; Y297-D322 VanDerWaalsContact CE1-OD2 3.24Å; Y297-D322 WeakPolarHBondContact CE1-OD2 3.29Å; Y297-D322 VanDerWaalsContact CZ-OD2 3.29Å; Y297-D322 PolarHBondContact OH-OD2 3.3Å; K316-D322 CarbonylContact C-O 3.53Å; K316-D322 WeakPolarHBondContact CA-O 3.23Å; M317-D322 HydrophobicContact CB-CB 4.39Å; M317-D322 HydrophobicContact CG-CB 3.97Å; M317-D322 PolarHBondContact N-O 3.39Å; S320-D322 WeakPolarHBondContact CB-OD2 3.48Å; S320-D322 PolarHBondContact O-N 3.25Å
323R91.1Very high91.3Very high158 Ų15852.6 Ų52.660%0.59627%0.27SS*.EExtended strand (participates in β ladder)trans-99.5123.4168.3-67.8179.478.61727109.9E306 V315E306-R323 IonicContact OE1-NH2 3.24Å; E306-R323 PolarHBondContact OE1-NH2 3.21Å; E306-R323 IonicContact OE2-NH2 2.75Å; E306-R323 PolarHBondContact OE2-NH2 3.16Å; V315-R323 WeakPolarHBondContact O-CA 3.13Å
324L90.8Very high91.3Very high23 Ų2353.3 Ų53.312%0.1227%0.274CS..EExtended strand (participates in β ladder)trans-119.7132.6178.4-58176.2000110I288 L293 Y297 V315 M317 L326I288-L324 HydrophobicContact CD1-CD1 3.9Å; L293-L324 HydrophobicContact CD1-CD1 4.14Å; L293-L324 HydrophobicContact CD1-CD2 4.41Å; Y297-L324 HydrophobicContact CD1-CD1 4.09Å; Y297-L324 HydrophobicContact CD2-CD1 3.84Å; Y297-L324 HydrophobicContact CE1-CD1 4.32Å; Y297-L324 HydrophobicContact CE2-CD1 4.06Å; Y297-L324 HydrophobicContact CE2-CD2 4.09Å; Y297-L324 HydrophobicContact CG-CD1 3.85Å; V315-L324 PolarHBondContact N-O 3.37Å; V315-L324 PolarHBondContact O-N 2.98Å; M317-L324 HydrophobicContact CG-CD1 4.13Å; M317-L324 HydrophobicContact SD-CD1 3.8Å; L324-L326 HydrophobicContact CB-CD1 4.48Å; L324-L326 HydrophobicContact CB-CG 4.5Å
325K92.9Very high91.3Very high130 Ų13054.9 Ų54.957%0.56528%0.281SS*.EExtended strand (participates in β ladder)trans-89.7114.6169.9-174.1170177.6173.90108.2T312 A313T312-K325 HydrophobicContact CG2-CD 4Å; T312-K325 HydrophobicContact CG2-CG 3.33Å; A313-K325 WeakPolarHBondContact O-CA 3.49Å
326L91.8Very high91.2Very high9 Ų955.7 Ų55.75%0.04729%0.287CS..EExtended strand (participates in β ladder)trans-135.7134.4-173-86176.6000112.2I288 T290 L293 T312 A313 L324 H330 L331I288-L326 HydrophobicContact CB-CD1 4.5Å; I288-L326 HydrophobicContact CD1-CD1 3.68Å; I288-L326 HydrophobicContact CG1-CD1 3.82Å; I288-L326 HydrophobicContact CG2-CD1 3.91Å; T290-L326 HydrophobicContact CG2-CD2 3.93Å; L293-L326 HydrophobicContact CD1-CD1 4.13Å; L293-L326 HydrophobicContact CD1-CD2 3.61Å; L293-L326 HydrophobicContact CD1-CG 3.96Å; T312-L326 CarbonylContact C-O 3.45Å; T312-L326 WeakPolarHBondContact CA-O 3.34Å; A313-L326 PolarHBondContact N-O 3.21Å; A313-L326 PolarHBondContact O-N 2.89Å; L324-L326 HydrophobicContact CB-CD1 4.48Å; L324-L326 HydrophobicContact CB-CG 4.5Å; L326-H330 HydrophobicContact CD2-CB 3.91Å; L326-L331 HydrophobicContact CB-CD1 4.28Å; L326-L331 HydrophobicContact CB-CD2 4.23Å; L326-L331 HydrophobicContact CB-CG 4.31Å; L326-L331 HydrophobicContact CD1-CD2 3.84Å
327D92.1Very high91.1Very high44 Ų4454.3 Ų54.324%0.23529%0.293CS..EExtended strand (participates in β ladder)trans-71.9151.4172.1179.976.1000111.7Y311 T329 H330Y311-D327 CarbonylContact O-C 3.54Å; Y311-D327 WeakPolarHBondContact O-CA 3.49Å; D327-T329 PolarHBondContact O-N 2.89Å; D327-T329 VanDerWaalsContact O-N 3.14Å; D327-T329 VanDerWaalsContact OD2-CB 3.27Å; D327-T329 WeakPolarHBondContact OD2-CB 3.27Å; D327-T329 VanDerWaalsContact OD2-CG2 3.28Å; D327-T329 WeakPolarHBondContact OD2-CG2 3.48Å; D327-T329 PolarHBondContact OD2-N 3.17Å; D327-T329 PolarHBondContact OD2-OG1 2.68Å; D327-H330 PolarHBondContact O-N 2.82Å
328Q91.3Very high91.1Very high18 Ų1857.5 Ų57.58%0.08431%0.314CS..G310 helixtrans-57.9-27.4-178.771.6174.627.300113.6D277 W279 L280 Y311 H330 L331D277-Q328 PolarHBondContact O-NE2 2.66Å; W279-Q328 HydrophobicContact CZ2-CB 4.06Å; L280-Q328 HydrophobicContact CD1-CB 3.71Å; L280-Q328 HydrophobicContact CD2-CB 4.46Å; L280-Q328 HydrophobicContact CG-CB 3.81Å; Y311-Q328 HydrophobicContact CD1-CG 4.34Å; Y311-Q328 PolarHBondContact O-N 3.07Å; Q328-H330 PolarHBondContact O-N 2.98Å; Q328-L331 PolarHBondContact O-N 2.88Å; Q328-L331 VanDerWaalsContact O-N 3.16Å
329T91.1Very high91.1Very high90 Ų9055.7 Ų55.755%0.55232%0.318SS*.G310 helixtrans-66.1-12.617560.10000114.3D327D327-T329 PolarHBondContact O-N 2.89Å; D327-T329 VanDerWaalsContact O-N 3.14Å; D327-T329 VanDerWaalsContact OD2-CB 3.27Å; D327-T329 WeakPolarHBondContact OD2-CB 3.27Å; D327-T329 VanDerWaalsContact OD2-CG2 3.28Å; D327-T329 WeakPolarHBondContact OD2-CG2 3.48Å; D327-T329 PolarHBondContact OD2-N 3.17Å; D327-T329 PolarHBondContact OD2-OG1 2.68Å
330H91.1Very high91.4Very high68 Ų6856.8 Ų56.832%0.31532%0.318SS..G310 helixtrans-105.36.2177.4-61.6134000113.4I289 T290 L326 D327 Q328I289-H330 VanDerWaalsContact CG1-C 3.46Å; I289-H330 VanDerWaalsContact CG1-O 3.31Å; I289-H330 WeakPolarHBondContact CG1-O 3.36Å; I289-H330 PolarHBondContact N-O 3.35Å; T290-H330 HydrophobicContact CG2-CB 3.86Å; L326-H330 HydrophobicContact CD2-CB 3.91Å; D327-H330 PolarHBondContact O-N 2.82Å; Q328-H330 PolarHBondContact O-N 2.98Å
331L92Very high91.8Very high9 Ų960 Ų605%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-124145.4-174.4-61.2175.3000111.1W279 L280 V286 I288 A313 V315 L326 Q328W279-L331 HydrophobicContact CH2-CB 3.97Å; W279-L331 HydrophobicContact CZ2-CB 4.3Å; L280-L331 HydrophobicContact CD2-CD1 3.95Å; V286-L331 HydrophobicContact CB-CB 4.45Å; V286-L331 HydrophobicContact CB-CD2 4.38Å; V286-L331 HydrophobicContact CG2-CD1 4.38Å; V286-L331 HydrophobicContact CG2-CD2 3.96Å; I288-L331 HydrophobicContact CG1-CD2 3.84Å; A313-L331 HydrophobicContact CB-CD1 3.82Å; V315-L331 HydrophobicContact CG2-CD1 4.07Å; V315-L331 HydrophobicContact CG2-CD2 4.19Å; L326-L331 HydrophobicContact CB-CD1 4.28Å; L326-L331 HydrophobicContact CB-CD2 4.23Å; L326-L331 HydrophobicContact CB-CG 4.31Å; L326-L331 HydrophobicContact CD1-CD2 3.84Å; Q328-L331 PolarHBondContact O-N 2.88Å; Q328-L331 VanDerWaalsContact O-N 3.16Å
332E93.1Very high92.3Very high74 Ų7458.3 Ų58.335%0.34630%0.304SS..EExtended strand (participates in β ladder)trans-122.3140.9177-173.2-169.5133.500108.4V286 K287 I289V286-E332 WeakPolarHBondContact CA-O 3.47Å; K287-E332 HydrophobicContact CB-CB 4.24Å; K287-E332 WeakPolarHBondContact CD-OE1 3.48Å; K287-E332 VanDerWaalsContact CE-OE2 3.27Å; K287-E332 WeakPolarHBondContact CE-OE2 3.28Å; K287-E332 PolarHBondContact N-O 2.82Å; K287-E332 IonicContact NZ-OE1 3.02Å; K287-E332 PolarHBondContact NZ-OE1 3.36Å; K287-E332 IonicContact NZ-OE2 3.97Å; K287-E332 PolarHBondContact NZ-OE2 3.36Å; K287-E332 PolarHBondContact O-N 3.24Å; I289-E332 HydrophobicContact CG2-CB 3.77Å; I289-E332 WeakPolarHBondContact CG2-OE2 3.4Å
333T93.8Very high92.4Very high20 Ų2056.2 Ų56.212%0.12329%0.293CS..EExtended strand (participates in β ladder)trans-65.1156.7172.853.70000110.7W279 L345 Y385 I388W279-T333 HydrophobicContact CE3-CG2 4.24Å; W279-T333 HydrophobicContact CH2-CG2 4.24Å; W279-T333 HydrophobicContact CZ3-CG2 3.87Å; T333-L345 HydrophobicContact CG2-CD1 3.63Å; T333-Y385 PolarHBondContact OG1-O 3.43Å; T333-I388 VanDerWaalsContact CB-O 3.3Å; T333-I388 WeakPolarHBondContact CB-O 3.44Å
334V93.9Very high92.5Very high14 Ų1448.7 Ų48.79%0.08526%0.264CS..  trans-121.2100.7-179.1178.10000108.9I285 K287 S389 K390I285-V334 HydrophobicContact CG2-CB 4.33Å; I285-V334 HydrophobicContact CG2-CG1 4.46Å; I285-V334 HydrophobicContact CG2-CG2 4.16Å; K287-V334 HydrophobicContact CB-CG2 3.73Å; V334-S389 PolarHBondContact N-OG 3.04Å; V334-K390 WeakPolarHBondContact O-CB 3.36Å; V334-K390 PolarHBondContact O-N 2.81Å
335I93.1Very high92.5Very high47 Ų4747.6 Ų47.624%0.24126%0.258CS..  trans-69.6127.3172-47.8-53.4000108.6L356 I359 Y385 I388I335-L356 HydrophobicContact CG2-CD2 3.74Å; I335-I359 HydrophobicContact CG2-CG2 4.02Å; I335-Y385 HydrophobicContact CD1-CD1 4.05Å; I335-Y385 HydrophobicContact CD1-CG 4.15Å; I335-Y385 HydrophobicContact CG1-CD1 4.03Å; I335-Y385 HydrophobicContact CG1-CG 4.01Å; I335-I388 HydrophobicContact CD1-CD1 3.85Å; I335-I388 HydrophobicContact CD1-CG1 3.78Å
336P92.8Very high92.2Very high18 Ų1841.9 Ų41.912%0.11723%0.234CC..  trans-80.1-179.9175.634.5-36000111.7K340 I342 L356 K390P336-K340 HydrophobicContact CB-CB 3.76Å; P336-K340 HydrophobicContact CB-CG 4.32Å; P336-K340 HydrophobicContact CG-CB 4.01Å; P336-I342 VanDerWaalsContact CD-CG2 3.48Å; P336-I342 HydrophobicContact CG-CG2 3.49Å; P336-I342 VanDerWaalsContact CG-CG2 3.49Å; P336-L356 HydrophobicContact CG-CB 4.35Å; P336-L356 HydrophobicContact CG-CD2 3.89Å; P336-L356 WeakPolarHBondContact O-CD2 3.47Å; P336-K390 HydrophobicContact CB-CB 4.12Å; P336-K390 HydrophobicContact CB-CD 4.12Å; P336-K390 HydrophobicContact CB-CG 4.3Å; P336-K390 HydrophobicContact CG-CB 4.26Å
337A91.8Very high91.8Very high65 Ų6542.2 Ų42.254%0.53724%0.24SC..  trans-67.8155.8161.600000110.8K340A337-K340 WeakPolarHBondContact O-CB 3.42Å; A337-K340 WeakPolarHBondContact O-CG 3.24Å
338P92.1Very high91.3Very high72 Ų7241.4 Ų41.447%0.46824%0.242SC..SBendtrans-49.3151.4168.1-30.738.1000113.8K340 L356 E357P338-K340 VanDerWaalsContact C-N 3.34Å; P338-L356 WeakPolarHBondContact CA-O 3.33Å; P338-E357 WeakPolarHBondContact CB-O 3.48Å
339G90.2Very high91Very high54 Ų5442 Ų4256%0.55724%0.243SC*.SBendtrans7224.4-175.900000114L356G339-L356 PolarHBondContact N-O 3.1Å
340K94.2Very high90.7Very high117 Ų11741.8 Ų41.851%0.50923%0.232SC..SBendtrans-127.3150.5176.2-58.8-62.6171.2-1610111.5P336 A337 P338 L356P336-K340 HydrophobicContact CB-CB 3.76Å; P336-K340 HydrophobicContact CB-CG 4.32Å; P336-K340 HydrophobicContact CG-CB 4.01Å; A337-K340 WeakPolarHBondContact O-CB 3.42Å; A337-K340 WeakPolarHBondContact O-CG 3.24Å; P338-K340 VanDerWaalsContact C-N 3.34Å; K340-L356 PolarHBondContact O-N 3.01Å
341R93.3Very high90.5Very high131 Ų13140.7 Ų40.749%0.49424%0.24SC..EExtended strand (participates in β ladder)trans-70.7139.3179.3-74.6-171.8173.9167.60.2113.3E353 G354 E371 L391R341-E353 IonicContact NH1-OE2 3.95Å; R341-G354 CarbonylContact C-O 3.54Å; R341-G354 VanDerWaalsContact CA-O 3.32Å; R341-G354 WeakPolarHBondContact CA-O 3.49Å; R341-E371 IonicContact CZ-OE2 3.89Å; R341-E371 IonicContact NE-OE1 3.25Å; R341-E371 IonicContact NE-OE2 3.2Å; R341-E371 PolarHBondContact NE-OE2 3.08Å; R341-E371 IonicContact NH2-OE2 2.67Å; R341-E371 PolarHBondContact NH2-OE2 3.17Å; R341-L391 HydrophobicContact CB-CB 4.35Å; R341-L391 PolarHBondContact O-N 3.14Å
342I95.1Very high90.4Very high0 Ų041.7 Ų41.70%025%0.245CC..EExtended strand (participates in β ladder)trans-124.515817153.574.2000109.4P336 V344 E353 G354 L356 I368 I388 S389P336-I342 VanDerWaalsContact CD-CG2 3.48Å; P336-I342 HydrophobicContact CG-CG2 3.49Å; P336-I342 VanDerWaalsContact CG-CG2 3.49Å; I342-V344 HydrophobicContact CD1-CG2 4.07Å; I342-E353 WeakPolarHBondContact O-CA 3.49Å; I342-G354 PolarHBondContact N-O 3Å; I342-G354 PolarHBondContact O-N 3.49Å; I342-L356 HydrophobicContact CG2-CB 4.4Å; I342-I368 HydrophobicContact CD1-CB 4.3Å; I342-I368 HydrophobicContact CD1-CD1 3.97Å; I342-I368 HydrophobicContact CD1-CG2 3.99Å; I342-I368 HydrophobicContact CG1-CG2 4.02Å; I342-I388 HydrophobicContact CD1-CG2 4.1Å; I342-S389 CarbonylContact C-O 3.54Å; I342-S389 VanDerWaalsContact CA-O 3.25Å; I342-S389 WeakPolarHBondContact CA-O 3.44Å; I342-S389 WeakPolarHBondContact CB-O 3.36Å
343L94.1Very high90.4Very high20 Ų2041 Ų4111%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-106.5135.1163.3-175.567.5000108.1Q281 I284 L345 E353 I388 S389Q281-L343 HydrophobicContact CB-CD2 3.74Å; Q281-L343 HydrophobicContact CG-CD2 4.14Å; I284-L343 HydrophobicContact CG2-CB 3.9Å; I284-L343 HydrophobicContact CG2-CD2 3.62Å; I284-L343 HydrophobicContact CG2-CG 4.38Å; L343-L345 HydrophobicContact CD2-CD2 4.31Å; L343-E353 HydrophobicContact CD1-CG 4.18Å; L343-I388 WeakPolarHBondContact O-CA 3.35Å; L343-S389 PolarHBondContact N-O 3.04Å; L343-S389 PolarHBondContact O-N 3.35Å; L343-S389 VanDerWaalsContact O-N 3.11Å
344V93.1Very high90.4Very high0 Ų040.1 Ų40.10%024%0.236CC..EExtended strand (participates in β ladder)trans-81.7123.9170-179.60000109.6I342 N346 Y349 G351 N352 I368 I370 I383 I388I342-V344 HydrophobicContact CD1-CG2 4.07Å; V344-N346 WeakPolarHBondContact CG1-O 3.36Å; V344-Y349 VanDerWaalsContact CB-O 3.23Å; V344-Y349 WeakPolarHBondContact CB-O 3.43Å; V344-Y349 WeakPolarHBondContact CG1-O 3.46Å; V344-G351 PolarHBondContact O-N 2.96Å; V344-N352 PolarHBondContact N-O 2.95Å; V344-I368 HydrophobicContact CG2-CD1 3.51Å; V344-I370 HydrophobicContact CG2-CD1 4.3Å; V344-I383 HydrophobicContact CG1-CD1 3.81Å; V344-I383 HydrophobicContact CG2-CD1 4.17Å; V344-I388 HydrophobicContact CB-CG2 4.47Å; V344-I388 HydrophobicContact CG2-CG2 3.99Å
345L89.9Confident90.4Very high0 Ų041 Ų410%024%0.242CC..  trans-95.1-28.1-169.9-59.6175.3000113W279 Q281 I284 T333 L343 R350 D387W279-L345 HydrophobicContact CB-CB 4.42Å; W279-L345 HydrophobicContact CE3-CD1 3.9Å; W279-L345 HydrophobicContact CZ3-CD1 4.37Å; Q281-L345 HydrophobicContact CB-CD2 4.02Å; Q281-L345 HydrophobicContact CG-CD2 3.88Å; I284-L345 HydrophobicContact CD1-CD1 4.35Å; I284-L345 HydrophobicContact CD1-CD2 3.72Å; I284-L345 HydrophobicContact CG2-CD2 4.15Å; T333-L345 HydrophobicContact CG2-CD1 3.63Å; L343-L345 HydrophobicContact CD2-CD2 4.31Å; L345-R350 WeakPolarHBondContact O-CD 3.39Å; L345-R350 WeakPolarHBondContact O-CG 3.26Å; L345-R350 PolarHBondContact O-NE 3.49Å; L345-D387 PolarHBondContact N-O 3.42Å
346N86.3Confident90.4Very high10 Ų1038.8 Ų38.85%0.05323%0.23CC..SBendtrans-147.2167-170.1-144.5-12.3000113R275 T276 V344 D387R275-N346 WeakPolarHBondContact CA-OD1 3.37Å; T276-N346 PolarHBondContact N-OD1 2.62Å; T276-N346 PolarHBondContact O-ND2 2.96Å; T276-N346 PolarHBondContact O-OD1 3.22Å; V344-N346 WeakPolarHBondContact CG1-O 3.36Å; N346-D387 HydrophobicContact CB-CB 4.22Å; N346-D387 WeakPolarHBondContact CB-OD1 3.2Å
347G84.3Confident90.5Very high16 Ų1641.5 Ų41.517%0.16524%0.241CC..G310 helixtrans64.2-151.3178.200000113.9K271 Y349 R350K271-G347 CarbonylContact O-C 3.6Å; G347-Y349 VanDerWaalsContact C-N 3.27Å; G347-Y349 PolarHBondContact O-N 2.97Å; G347-Y349 VanDerWaalsContact O-N 3.11Å; G347-R350 WeakPolarHBondContact O-CB 3.26Å; G347-R350 PolarHBondContact O-N 2.93Å
348G81.3Confident90.4Very high27 Ų2740.6 Ų40.628%0.27823%0.231SC..G310 helixtrans-68.8-12.8-160.300000118.5K271K271-G348 VanDerWaalsContact O-CA 3.31Å; K271-G348 WeakPolarHBondContact O-CA 3.42Å; K271-G348 PolarHBondContact O-N 3.21Å
349Y83.8Confident90.4Very high31 Ų3140.9 Ų40.912%0.12223%0.228CC..G310 helixtrans-124.121.4-179-54.2-89.3000111.1V344 G347 G351 N352 I370 L375 R378 V380V344-Y349 VanDerWaalsContact CB-O 3.23Å; V344-Y349 WeakPolarHBondContact CB-O 3.43Å; V344-Y349 WeakPolarHBondContact CG1-O 3.46Å; G347-Y349 VanDerWaalsContact C-N 3.27Å; G347-Y349 PolarHBondContact O-N 2.97Å; G347-Y349 VanDerWaalsContact O-N 3.11Å; Y349-G351 PolarHBondContact O-N 3.26Å; Y349-N352 VanDerWaalsContact C-OD1 3.23Å; Y349-N352 WeakPolarHBondContact CA-OD1 3.15Å; Y349-N352 VanDerWaalsContact O-CB 3.24Å; Y349-N352 WeakPolarHBondContact O-CB 3.45Å; Y349-N352 PolarHBondContact O-N 3.41Å; Y349-N352 PolarHBondContact O-OD1 3.44Å; Y349-I370 HydrophobicContact CD1-CD1 4.21Å; Y349-I370 HydrophobicContact CD1-CG1 4.12Å; Y349-I370 HydrophobicContact CG-CD1 4.27Å; Y349-L375 HydrophobicContact CD1-CD1 4.39Å; Y349-L375 HydrophobicContact CE1-CB 4.47Å; Y349-L375 HydrophobicContact CE1-CD1 3.69Å; Y349-R378 PolarHBondContact OH-NH1 3.4Å; Y349-V380 HydrophobicContact CD2-CG1 4.37Å; Y349-V380 HydrophobicContact CE1-CG2 4.04Å; Y349-V380 HydrophobicContact CE2-CG1 3.82Å; Y349-V380 HydrophobicContact CE2-CG2 3.92Å
350R86Confident90.5Very high85 Ų8542 Ų4232%0.32122%0.221SC..THydrogen-bonded Turntrans-54130.8-178.8178177.9-168.9159.420.7111.6T276 S278 L345 G347 N352T276-R350 PolarHBondContact OG1-NH1 3Å; S278-R350 PolarHBondContact O-NH2 3.28Å; L345-R350 WeakPolarHBondContact O-CD 3.39Å; L345-R350 WeakPolarHBondContact O-CG 3.26Å; L345-R350 PolarHBondContact O-NE 3.49Å; G347-R350 WeakPolarHBondContact O-CB 3.26Å; G347-R350 PolarHBondContact O-N 2.93Å; R350-N352 VanDerWaalsContact C-N 3.26Å
351G86.3Confident90.2Very high45 Ų4543.2 Ų43.246%0.46423%0.229SC..THydrogen-bonded Turntrans84.5-6.7-179.100000113.9V344 Y349V344-G351 PolarHBondContact O-N 2.96Å; Y349-G351 PolarHBondContact O-N 3.26Å
352N90.2Very high90Very high29 Ų2946.3 Ų46.316%0.15525%0.246CC..  trans-77.6128.4169.9-62.498.1000110.4V344 Y349 R350 I370 T372V344-N352 PolarHBondContact N-O 2.95Å; Y349-N352 VanDerWaalsContact C-OD1 3.23Å; Y349-N352 WeakPolarHBondContact CA-OD1 3.15Å; Y349-N352 VanDerWaalsContact O-CB 3.24Å; Y349-N352 WeakPolarHBondContact O-CB 3.45Å; Y349-N352 PolarHBondContact O-N 3.41Å; Y349-N352 PolarHBondContact O-OD1 3.44Å; R350-N352 VanDerWaalsContact C-N 3.26Å; N352-I370 HydrophobicContact CB-CD1 4.29Å; N352-I370 HydrophobicContact CB-CG2 4.06Å; N352-T372 WeakPolarHBondContact CA-OG1 3.42Å; N352-T372 PolarHBondContact ND2-O 2.86Å
353E92.9Very high89.6Confident61 Ų6150 Ų5029%0.28527%0.269SS..EExtended strand (participates in β ladder)trans-72.5146.7158.7-60.4-174.9-158.300110.6R341 I342 L343 E371 T372 L391R341-E353 IonicContact NH1-OE2 3.95Å; I342-E353 WeakPolarHBondContact O-CA 3.49Å; L343-E353 HydrophobicContact CD1-CG 4.18Å; E353-E371 PolarHBondContact O-N 3.11Å; E353-T372 HydrophobicContact CB-CG2 3.87Å; E353-T372 HydrophobicContact CG-CG2 4.37Å; E353-T372 PolarHBondContact N-OG1 3.38Å; E353-T372 PolarHBondContact O-N 3.33Å; E353-T372 PolarHBondContact O-OG1 3.33Å; E353-T372 VanDerWaalsContact O-OG1 3.04Å; E353-L391 VanDerWaalsContact CD-CD1 3.48Å; E353-L391 HydrophobicContact CG-CD1 3.68Å
354G93.2Very high89.4Confident0 Ų056 Ų560%029%0.294CS..EExtended strand (participates in β ladder)trans-154.3174.917100000111.8R341 I342 V369R341-G354 CarbonylContact C-O 3.54Å; R341-G354 VanDerWaalsContact CA-O 3.32Å; R341-G354 WeakPolarHBondContact CA-O 3.49Å; I342-G354 PolarHBondContact N-O 3Å; I342-G354 PolarHBondContact O-N 3.49Å; G354-V369 CarbonylContact C-O 3.58Å; G354-V369 WeakPolarHBondContact CA-O 3.43Å
355T94.5Very high89.2Confident34 Ų3456.7 Ų56.721%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-108.1136.9173.6-840000110.6I368 V369 E371T355-I368 WeakPolarHBondContact O-CA 3.43Å; T355-V369 PolarHBondContact N-O 3.44Å; T355-V369 PolarHBondContact O-N 3.5Å; T355-E371 VanDerWaalsContact CB-OE1 3.27Å; T355-E371 WeakPolarHBondContact CB-OE1 3.3Å; T355-E371 PolarHBondContact OG1-OE1 3.41Å
356L94Very high89.3Confident0 Ų056.7 Ų56.70%030%0.299CS..EExtended strand (participates in β ladder)trans-72.7125.6176-178.867.6000110.7I335 P336 P338 G339 K340 I342 I359 A366 I368I335-L356 HydrophobicContact CG2-CD2 3.74Å; P336-L356 HydrophobicContact CG-CB 4.35Å; P336-L356 HydrophobicContact CG-CD2 3.89Å; P336-L356 WeakPolarHBondContact O-CD2 3.47Å; P338-L356 WeakPolarHBondContact CA-O 3.33Å; G339-L356 PolarHBondContact N-O 3.1Å; K340-L356 PolarHBondContact O-N 3.01Å; I342-L356 HydrophobicContact CG2-CB 4.4Å; L356-I359 HydrophobicContact CD1-CG2 3.97Å; L356-I359 HydrophobicContact CD2-CG2 3.97Å; L356-I359 HydrophobicContact CG-CG2 4.37Å; L356-A366 HydrophobicContact CD1-CB 3.67Å; L356-I368 HydrophobicContact CD1-CG2 4.09Å
357E93.4Very high89.6Confident75 Ų7557 Ų5735%0.3530%0.301SS..EExtended strand (participates in β ladder)trans-98.5-50.7178.8-175.8-164.1103.700111.7P338 T367 R379P338-E357 WeakPolarHBondContact CB-O 3.48Å; E357-T367 HydrophobicContact CB-CG2 4.32Å; E357-T367 PolarHBondContact N-O 3.34Å; E357-R379 VanDerWaalsContact CD-NE 3.28Å; E357-R379 IonicContact OE1-CZ 2.8Å; E357-R379 VanDerWaalsContact OE1-CZ 3.29Å; E357-R379 IonicContact OE1-NE 3.22Å; E357-R379 PolarHBondContact OE1-NE 2.91Å; E357-R379 IonicContact OE1-NH2 3.87Å; E357-R379 PolarHBondContact OE1-NH2 3.31Å; E357-R379 VanDerWaalsContact OE2-CD 3.27Å; E357-R379 WeakPolarHBondContact OE2-CD 3.47Å; E357-R379 IonicContact OE2-CZ 3.23Å; E357-R379 IonicContact OE2-NE 2.81Å; E357-R379 PolarHBondContact OE2-NE 3.32Å; E357-R379 IonicContact OE2-NH2 2.82Å
358S90.9Very high90.1Very high46 Ų4656.2 Ų56.232%0.32229%0.293SS..EExtended strand (participates in β ladder)trans-153.2161.8-176.752.10000111.7A366 T367S358-A366 WeakPolarHBondContact O-CA 3.23Å; S358-T367 PolarHBondContact N-O 3.32Å; S358-T367 PolarHBondContact O-N 2.98Å; S358-T367 WeakPolarHBondContact OG-CB 3.48Å
359I92.4Very high90.7Very high77 Ų7757.1 Ų57.140%0.39529%0.293SS..EExtended strand (participates in β ladder)trans-129.4145.2-178.657.8170.8000110.5I335 L356 A366 Y385I335-I359 HydrophobicContact CG2-CG2 4.02Å; L356-I359 HydrophobicContact CD1-CG2 3.97Å; L356-I359 HydrophobicContact CD2-CG2 3.97Å; L356-I359 HydrophobicContact CG-CG2 4.37Å; I359-A366 HydrophobicContact CG2-CB 4.4Å; I359-Y385 HydrophobicContact CB-CE1 4.41Å; I359-Y385 HydrophobicContact CG2-CE1 4.34Å
360N90.9Very high91.2Very high77 Ų7755.7 Ų55.741%0.41229%0.288SS..EExtended strand (participates in β ladder)trans-128.194.4178.1-174-4.9000109.8K362 T363 F364 S365 Y385N360-K362 PolarHBondContact O-N 2.67Å; N360-K362 PolarHBondContact OD1-N 3.1Å; N360-T363 PolarHBondContact ND2-OG1 3.34Å; N360-T363 VanDerWaalsContact ND2-OG1 3.17Å; N360-T363 PolarHBondContact O-N 3.12Å; N360-T363 PolarHBondContact O-OG1 3.04Å; N360-F364 PolarHBondContact O-N 2.95Å; N360-F364 VanDerWaalsContact O-N 3.12Å; N360-S365 PolarHBondContact N-O 2.88Å; N360-S365 PolarHBondContact O-N 2.85Å; N360-Y385 PolarHBondContact N-OH 3.04Å; N360-Y385 PolarHBondContact O-OH 2.87Å
361E88.6Confident91.3Very high144 Ų14454 Ų5467%0.67328%0.284SS*.G310 helixtrans-60.5-29.4-177.6-58.9-178.5158.200113.1T363 F364 Y385E361-T363 PolarHBondContact O-N 3.1Å; E361-F364 PolarHBondContact O-N 3.3Å; E361-Y385 PolarHBondContact N-OH 2.85Å
362K88.8Confident91.3Very high195 Ų19554.1 Ų54.185%0.84828%0.275SS*.G310 helixtrans-68.5-24.2-179.1-64.1-177.6179.6178.10113.2N360N360-K362 PolarHBondContact O-N 2.67Å; N360-K362 PolarHBondContact OD1-N 3.1Å
363T87.9Confident90.9Very high79 Ų7954.9 Ų54.949%0.48529%0.29SS..G310 helixtrans-117.66.1-178.849.70000112.9N360 E361 S365N360-T363 PolarHBondContact ND2-OG1 3.34Å; N360-T363 VanDerWaalsContact ND2-OG1 3.17Å; N360-T363 PolarHBondContact O-N 3.12Å; N360-T363 PolarHBondContact O-OG1 3.04Å; E361-T363 PolarHBondContact O-N 3.1Å; T363-S365 PolarHBondContact O-N 2.84Å; T363-S365 PolarHBondContact OG1-OG 3.04Å
364F88.3Confident90.2Very high144 Ų14458.4 Ų58.463%0.63232%0.318SS*.THydrogen-bonded Turntrans47.541.6-175-63.7-88000113N360 E361 Y385N360-F364 PolarHBondContact O-N 2.95Å; N360-F364 VanDerWaalsContact O-N 3.12Å; E361-F364 PolarHBondContact O-N 3.3Å; F364-Y385 HydrophobicContact CB-CD2 4.04Å; F364-Y385 HydrophobicContact CB-CE2 4.26Å; F364-Y385 HydrophobicContact CD1-CD2 4.09Å; F364-Y385 HydrophobicContact CD1-CE2 4.13Å; F364-Y385 PolarHBondContact O-N 3.03Å
365S90.3Very high89.6Confident15 Ų1561.1 Ų61.111%0.10533%0.332CS..EExtended strand (participates in β ladder)trans-136.3156.3-173.165.10000113.1N360 T363 I383 Y385N360-S365 PolarHBondContact N-O 2.88Å; N360-S365 PolarHBondContact O-N 2.85Å; T363-S365 PolarHBondContact O-N 2.84Å; T363-S365 PolarHBondContact OG1-OG 3.04Å; S365-I383 CarbonylContact C-O 3.42Å; S365-I383 WeakPolarHBondContact CA-O 3.46Å; S365-I383 VanDerWaalsContact CB-O 3.31Å; S365-I383 WeakPolarHBondContact CB-O 3.42Å; S365-Y385 VanDerWaalsContact O-CE1 3.3Å; S365-Y385 WeakPolarHBondContact O-CE1 3.42Å
366A91.8Very high89.2Confident1 Ų166.9 Ų66.91%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-121.4165.5-176.500000111.8L356 S358 I359 G382 I383 Y385 I388L356-A366 HydrophobicContact CD1-CB 3.67Å; S358-A366 WeakPolarHBondContact O-CA 3.23Å; I359-A366 HydrophobicContact CG2-CB 4.4Å; A366-G382 PolarHBondContact O-N 3.03Å; A366-I383 HydrophobicContact CB-CG2 4.07Å; A366-I383 PolarHBondContact N-O 3.48Å; A366-I383 PolarHBondContact O-N 3.34Å; A366-I383 VanDerWaalsContact O-N 3.15Å; A366-Y385 HydrophobicContact CB-CD1 4.37Å; A366-Y385 HydrophobicContact CB-CE1 4.16Å; A366-I388 HydrophobicContact CB-CD1 3.66Å
367T92.8Very high88.7Confident15 Ų1569.5 Ų69.59%0.09238%0.382CS..EExtended strand (participates in β ladder)trans-114.1127.8163.7-61.80000108.9E357 S358 R379 V380 E381E357-T367 HydrophobicContact CB-CG2 4.32Å; E357-T367 PolarHBondContact N-O 3.34Å; S358-T367 PolarHBondContact N-O 3.32Å; S358-T367 PolarHBondContact O-N 2.98Å; S358-T367 WeakPolarHBondContact OG-CB 3.48Å; T367-R379 HydrophobicContact CG2-CG 3.96Å; T367-V380 WeakPolarHBondContact CA-O 3.41Å; T367-E381 HydrophobicContact CG2-CG 3.84Å
368I93.8Very high88.5Confident0 Ų069.6 Ų69.60%038%0.379CS..EExtended strand (participates in β ladder)trans-126.3152.1-177.563.7171000110.7I342 V344 T355 L356 I370 V380 I383 I388I342-I368 HydrophobicContact CD1-CB 4.3Å; I342-I368 HydrophobicContact CD1-CD1 3.97Å; I342-I368 HydrophobicContact CD1-CG2 3.99Å; I342-I368 HydrophobicContact CG1-CG2 4.02Å; V344-I368 HydrophobicContact CG2-CD1 3.51Å; T355-I368 WeakPolarHBondContact O-CA 3.43Å; L356-I368 HydrophobicContact CD1-CG2 4.09Å; I368-I370 HydrophobicContact CD1-CD1 3.78Å; I368-I370 HydrophobicContact CG1-CD1 4.36Å; I368-V380 HydrophobicContact CG1-CB 4.12Å; I368-V380 PolarHBondContact N-O 2.97Å; I368-V380 PolarHBondContact O-N 2.94Å; I368-I383 HydrophobicContact CD1-CD1 3.97Å; I368-I383 HydrophobicContact CD1-CG2 4.15Å; I368-I383 HydrophobicContact CG1-CG2 4.16Å; I368-I383 HydrophobicContact CG2-CG2 4.12Å; I368-I388 HydrophobicContact CD1-CG2 4.35Å; I368-I388 HydrophobicContact CG2-CD1 4.35Å
369V93.9Very high88.5Confident46 Ų4673.2 Ų73.228%0.27939%0.386SS..EExtended strand (participates in β ladder)trans-110.6122169.1-179.60000108.4G354 T355 E371 R379G354-V369 CarbonylContact C-O 3.58Å; G354-V369 WeakPolarHBondContact CA-O 3.43Å; T355-V369 PolarHBondContact N-O 3.44Å; T355-V369 PolarHBondContact O-N 3.5Å; V369-E371 PolarHBondContact O-N 3.32Å; V369-R379 HydrophobicContact CG2-CB 4.3Å; V369-R379 HydrophobicContact CG2-CG 4.25Å
370I93.5Very high88.4Confident1 Ų170.5 Ų70.51%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-73.5125.2-177.1-59.8-61.3000110.3V344 Y349 N352 I368 T372 K376 G377 R378 V380V344-I370 HydrophobicContact CG2-CD1 4.3Å; Y349-I370 HydrophobicContact CD1-CD1 4.21Å; Y349-I370 HydrophobicContact CD1-CG1 4.12Å; Y349-I370 HydrophobicContact CG-CD1 4.27Å; N352-I370 HydrophobicContact CB-CD1 4.29Å; N352-I370 HydrophobicContact CB-CG2 4.06Å; I368-I370 HydrophobicContact CD1-CD1 3.78Å; I368-I370 HydrophobicContact CG1-CD1 4.36Å; I370-T372 WeakPolarHBondContact CG2-O 3.4Å; I370-K376 CarbonylContact O-C 3.56Å; I370-K376 WeakPolarHBondContact O-CA 3.3Å; I370-G377 PolarHBondContact O-N 3.46Å; I370-R378 PolarHBondContact N-O 3.43Å; I370-V380 HydrophobicContact CG1-CG2 4.1Å
371E89.8Confident88.3Confident51 Ų5172.9 Ų72.924%0.23838%0.381CS..  trans-96.7-11.7-179-76.3-172.7-14800113.6R341 E353 T355 V369 K376R341-E371 IonicContact CZ-OE2 3.89Å; R341-E371 IonicContact NE-OE1 3.25Å; R341-E371 IonicContact NE-OE2 3.2Å; R341-E371 PolarHBondContact NE-OE2 3.08Å; R341-E371 IonicContact NH2-OE2 2.67Å; R341-E371 PolarHBondContact NH2-OE2 3.17Å; E353-E371 PolarHBondContact O-N 3.11Å; T355-E371 VanDerWaalsContact CB-OE1 3.27Å; T355-E371 WeakPolarHBondContact CB-OE1 3.3Å; T355-E371 PolarHBondContact OG1-OE1 3.41Å; V369-E371 PolarHBondContact O-N 3.32Å; E371-K376 WeakPolarHBondContact O-CD 3.33Å; E371-K376 WeakPolarHBondContact O-CE 3.38Å; E371-K376 WeakPolarHBondContact O-CG 3.23Å; E371-K376 PolarHBondContact O-NZ 3.02Å
372T85Confident88.2Confident46 Ų4668.3 Ų68.328%0.28237%0.373SS..SBendtrans-136.5156.1-167.254.40000113.2N352 E353 I370N352-T372 WeakPolarHBondContact CA-OG1 3.42Å; N352-T372 PolarHBondContact ND2-O 2.86Å; E353-T372 HydrophobicContact CB-CG2 3.87Å; E353-T372 HydrophobicContact CG-CG2 4.37Å; E353-T372 PolarHBondContact N-OG1 3.38Å; E353-T372 PolarHBondContact O-N 3.33Å; E353-T372 PolarHBondContact O-OG1 3.33Å; E353-T372 VanDerWaalsContact O-OG1 3.04Å; I370-T372 WeakPolarHBondContact CG2-O 3.4Å
373G82.4Confident88.3Confident46 Ų4659.9 Ų59.947%0.47434%0.337SS..SBendtrans75.9-172.817800000114.9L375 K376G373-L375 PolarHBondContact O-N 3.24Å; G373-L375 VanDerWaalsContact O-N 3.1Å; G373-K376 WeakPolarHBondContact O-CB 3.41Å; G373-K376 PolarHBondContact O-N 2.66Å
374P77.9Confident88.5Confident135 Ų13559.8 Ų59.888%0.87733%0.331SS*.THydrogen-bonded Turntrans-64.3-16.9-170.9-24.435.1000115.5
375L80.1Confident88.6Confident56 Ų5654.8 Ų54.829%0.29331%0.308SS..THydrogen-bonded Turntrans-110.428-178.3-60.6177.2000112Y349 G373 G377 R378Y349-L375 HydrophobicContact CD1-CD1 4.39Å; Y349-L375 HydrophobicContact CE1-CB 4.47Å; Y349-L375 HydrophobicContact CE1-CD1 3.69Å; G373-L375 PolarHBondContact O-N 3.24Å; G373-L375 VanDerWaalsContact O-N 3.1Å; L375-G377 PolarHBondContact O-N 3.31Å; L375-R378 HydrophobicContact CB-CB 4.29Å; L375-R378 WeakPolarHBondContact O-CB 3.35Å; L375-R378 PolarHBondContact O-N 2.95Å
376K86.1Confident88.5Confident155 Ų15559.7 Ų59.767%0.67433%0.329SS*.THydrogen-bonded Turntrans-54.2134.5173.4179169.7-172.8156.50111.4I370 E371 G373 R378I370-K376 CarbonylContact O-C 3.56Å; I370-K376 WeakPolarHBondContact O-CA 3.3Å; E371-K376 WeakPolarHBondContact O-CD 3.33Å; E371-K376 WeakPolarHBondContact O-CE 3.38Å; E371-K376 WeakPolarHBondContact O-CG 3.23Å; E371-K376 PolarHBondContact O-NZ 3.02Å; G373-K376 WeakPolarHBondContact O-CB 3.41Å; G373-K376 PolarHBondContact O-N 2.66Å; K376-R378 VanDerWaalsContact C-N 3.28Å
377G84.5Confident88.5Confident56 Ų5660.4 Ų60.458%0.57733%0.333SS*.THydrogen-bonded Turntrans83-6.6-174.700000114.4I370 L375 R379I370-G377 PolarHBondContact O-N 3.46Å; L375-G377 PolarHBondContact O-N 3.31Å; G377-R379 PolarHBondContact O-N 3.09Å
378R88.5Confident88.5Confident77 Ų7759.7 Ų59.729%0.29133%0.328SS..  trans-72.6124.4175.7-157.4179-152.3-146.17.3110M264 E268 Y349 I370 L375 K376M264-R378 PolarHBondContact SD-NH2 3Å; M264-R378 VanDerWaalsContact SD-NH2 3.43Å; E268-R378 IonicContact OE1-CZ 2.93Å; E268-R378 IonicContact OE1-NH1 2.72Å; E268-R378 PolarHBondContact OE1-NH1 3.12Å; E268-R378 IonicContact OE1-NH2 2.74Å; E268-R378 PolarHBondContact OE1-NH2 2.62Å; Y349-R378 PolarHBondContact OH-NH1 3.4Å; I370-R378 PolarHBondContact N-O 3.43Å; L375-R378 HydrophobicContact CB-CB 4.29Å; L375-R378 WeakPolarHBondContact O-CB 3.35Å; L375-R378 PolarHBondContact O-N 2.95Å; K376-R378 VanDerWaalsContact C-N 3.28Å
379R91.3Very high88.5Confident122 Ų12259.7 Ų59.746%0.4633%0.328SS..EExtended strand (participates in β ladder)trans-82.5126.3169.8-174.4173.3176.2-84.6-6.6108.8E357 T367 V369 G377 E381E357-R379 VanDerWaalsContact CD-NE 3.28Å; E357-R379 IonicContact OE1-CZ 2.8Å; E357-R379 VanDerWaalsContact OE1-CZ 3.29Å; E357-R379 IonicContact OE1-NE 3.22Å; E357-R379 PolarHBondContact OE1-NE 2.91Å; E357-R379 IonicContact OE1-NH2 3.87Å; E357-R379 PolarHBondContact OE1-NH2 3.31Å; E357-R379 VanDerWaalsContact OE2-CD 3.27Å; E357-R379 WeakPolarHBondContact OE2-CD 3.47Å; E357-R379 IonicContact OE2-CZ 3.23Å; E357-R379 IonicContact OE2-NE 2.81Å; E357-R379 PolarHBondContact OE2-NE 3.32Å; E357-R379 IonicContact OE2-NH2 2.82Å; T367-R379 HydrophobicContact CG2-CG 3.96Å; V369-R379 HydrophobicContact CG2-CB 4.3Å; V369-R379 HydrophobicContact CG2-CG 4.25Å; G377-R379 PolarHBondContact O-N 3.09Å; R379-E381 IonicContact CZ-OE1 3.17Å; R379-E381 VanDerWaalsContact CZ-OE1 3.25Å; R379-E381 IonicContact NH1-OE1 2.8Å; R379-E381 PolarHBondContact NH1-OE1 3.2Å; R379-E381 IonicContact NH2-OE1 2.7Å; R379-E381 PolarHBondContact NH2-OE1 3.4Å
380V89.5Confident88.5Confident20 Ų2060 Ų6012%0.12133%0.326CS..EExtended strand (participates in β ladder)trans-123.4112.3-175.7-1780000108.3Y349 T367 I368 I370Y349-V380 HydrophobicContact CD2-CG1 4.37Å; Y349-V380 HydrophobicContact CE1-CG2 4.04Å; Y349-V380 HydrophobicContact CE2-CG1 3.82Å; Y349-V380 HydrophobicContact CE2-CG2 3.92Å; T367-V380 WeakPolarHBondContact CA-O 3.41Å; I368-V380 HydrophobicContact CG1-CB 4.12Å; I368-V380 PolarHBondContact N-O 2.97Å; I368-V380 PolarHBondContact O-N 2.94Å; I370-V380 HydrophobicContact CG1-CG2 4.1Å
381E89.5Confident88.5Confident126 Ų12662.3 Ų62.359%0.58934%0.338SS*.EExtended strand (participates in β ladder)trans-90.8149.2176.3-58.5-170.1145.300111.2T367 R379T367-E381 HydrophobicContact CG2-CG 3.84Å; R379-E381 IonicContact CZ-OE1 3.17Å; R379-E381 VanDerWaalsContact CZ-OE1 3.25Å; R379-E381 IonicContact NH1-OE1 2.8Å; R379-E381 PolarHBondContact NH1-OE1 3.2Å; R379-E381 IonicContact NH2-OE1 2.7Å; R379-E381 PolarHBondContact NH2-OE1 3.4Å
382G87.5Confident88.4Confident48 Ų4863.5 Ų63.550%0.49536%0.357SS..EExtended strand (participates in β ladder)trans82.716.1167.400000116.2A366A366-G382 PolarHBondContact O-N 3.03Å
383I90Very high88.5Confident18 Ų1864.4 Ų64.49%0.09236%0.361CS..EExtended strand (participates in β ladder)trans-70136.5174.1-167.3159.4000110.6V344 S365 A366 I368 D387 I388V344-I383 HydrophobicContact CG1-CD1 3.81Å; V344-I383 HydrophobicContact CG2-CD1 4.17Å; S365-I383 CarbonylContact C-O 3.42Å; S365-I383 WeakPolarHBondContact CA-O 3.46Å; S365-I383 VanDerWaalsContact CB-O 3.31Å; S365-I383 WeakPolarHBondContact CB-O 3.42Å; A366-I383 HydrophobicContact CB-CG2 4.07Å; A366-I383 PolarHBondContact N-O 3.48Å; A366-I383 PolarHBondContact O-N 3.34Å; A366-I383 VanDerWaalsContact O-N 3.15Å; I368-I383 HydrophobicContact CD1-CD1 3.97Å; I368-I383 HydrophobicContact CD1-CG2 4.15Å; I368-I383 HydrophobicContact CG1-CG2 4.16Å; I368-I383 HydrophobicContact CG2-CG2 4.12Å; I383-D387 HydrophobicContact CD1-CB 4.28Å; I383-D387 HydrophobicContact CG1-CB 3.86Å; I383-I388 HydrophobicContact CD1-CG2 3.74Å; I383-I388 HydrophobicContact CG1-CG2 4.13Å; I383-I388 HydrophobicContact CG2-CD1 4.28Å; I383-I388 HydrophobicContact CG2-CG2 4.18Å
384Q91.4Very high88.8Confident77 Ų7765.4 Ų65.436%0.3636%0.355SS..EExtended strand (participates in β ladder)trans-73.2150.9-175.5-53-164.9-96.800111.6E386 D387Q384-E386 PolarHBondContact O-N 2.86Å; Q384-D387 WeakPolarHBondContact CB-OD2 3.22Å; Q384-D387 PolarHBondContact O-N 3.41Å
385Y90.4Very high89.5Confident40 Ų4061.5 Ų61.516%0.15733%0.326CS..G310 helixtrans-61.3-23.1175.4-63.6-18.7000113.9T333 I335 I359 N360 E361 F364 S365 A366 D387 I388T333-Y385 PolarHBondContact OG1-O 3.43Å; I335-Y385 HydrophobicContact CD1-CD1 4.05Å; I335-Y385 HydrophobicContact CD1-CG 4.15Å; I335-Y385 HydrophobicContact CG1-CD1 4.03Å; I335-Y385 HydrophobicContact CG1-CG 4.01Å; I359-Y385 HydrophobicContact CB-CE1 4.41Å; I359-Y385 HydrophobicContact CG2-CE1 4.34Å; N360-Y385 PolarHBondContact N-OH 3.04Å; N360-Y385 PolarHBondContact O-OH 2.87Å; E361-Y385 PolarHBondContact N-OH 2.85Å; F364-Y385 HydrophobicContact CB-CD2 4.04Å; F364-Y385 HydrophobicContact CB-CE2 4.26Å; F364-Y385 HydrophobicContact CD1-CD2 4.09Å; F364-Y385 HydrophobicContact CD1-CE2 4.13Å; F364-Y385 PolarHBondContact O-N 3.03Å; S365-Y385 VanDerWaalsContact O-CE1 3.3Å; S365-Y385 WeakPolarHBondContact O-CE1 3.42Å; A366-Y385 HydrophobicContact CB-CD1 4.37Å; A366-Y385 HydrophobicContact CB-CE1 4.16Å; Y385-D387 VanDerWaalsContact C-N 3.32Å; Y385-I388 VanDerWaalsContact O-O 3.06Å
386E89.3Confident90Very high117 Ų11761.8 Ų61.855%0.54733%0.328SS..G310 helixtrans-70.5-28.7172.4-59.5179.6158.500112.5R275 Q384R275-E386 IonicContact NH2-OE2 2.69Å; R275-E386 PolarHBondContact NH2-OE2 2.88Å; Q384-E386 PolarHBondContact O-N 2.86Å
387D90.8Very high90.3Very high16 Ų1656 Ų569%0.08631%0.306CS..G310 helixtrans-90-0.8-172.9-59.7-36.5000112.8R275 L345 N346 I383 Q384 Y385R275-D387 IonicContact CZ-OD1 2.77Å; R275-D387 IonicContact NH1-OD1 2.72Å; R275-D387 IonicContact NH1-OD2 2.61Å; L345-D387 PolarHBondContact N-O 3.42Å; N346-D387 HydrophobicContact CB-CB 4.22Å; N346-D387 WeakPolarHBondContact CB-OD1 3.2Å; I383-D387 HydrophobicContact CD1-CB 4.28Å; I383-D387 HydrophobicContact CG1-CB 3.86Å; Q384-D387 WeakPolarHBondContact CB-OD2 3.22Å; Q384-D387 PolarHBondContact O-N 3.41Å; Y385-D387 VanDerWaalsContact C-N 3.32Å
388I93Very high90.6Very high0 Ų056 Ų560%029%0.288CS..EExtended strand (participates in β ladder)trans-138.2149.2178.451.8163.7000112.3T333 I335 I342 L343 V344 A366 I368 I383 Y385T333-I388 VanDerWaalsContact CB-O 3.3Å; T333-I388 WeakPolarHBondContact CB-O 3.44Å; I335-I388 HydrophobicContact CD1-CD1 3.85Å; I335-I388 HydrophobicContact CD1-CG1 3.78Å; I342-I388 HydrophobicContact CD1-CG2 4.1Å; L343-I388 WeakPolarHBondContact O-CA 3.35Å; V344-I388 HydrophobicContact CB-CG2 4.47Å; V344-I388 HydrophobicContact CG2-CG2 3.99Å; A366-I388 HydrophobicContact CB-CD1 3.66Å; I368-I388 HydrophobicContact CD1-CG2 4.35Å; I368-I388 HydrophobicContact CG2-CD1 4.35Å; I383-I388 HydrophobicContact CD1-CG2 3.74Å; I383-I388 HydrophobicContact CG1-CG2 4.13Å; I383-I388 HydrophobicContact CG2-CD1 4.28Å; I383-I388 HydrophobicContact CG2-CG2 4.18Å; Y385-I388 VanDerWaalsContact O-O 3.06Å
389S94.3Very high90.8Very high0 Ų054.5 Ų54.50%029%0.288CS..EExtended strand (participates in β ladder)trans-146.3156.8165.1-162.20000112.6I285 V334 I342 L343 L391I285-S389 PolarHBondContact O-OG 3.07Å; V334-S389 PolarHBondContact N-OG 3.04Å; I342-S389 CarbonylContact C-O 3.54Å; I342-S389 VanDerWaalsContact CA-O 3.25Å; I342-S389 WeakPolarHBondContact CA-O 3.44Å; I342-S389 WeakPolarHBondContact CB-O 3.36Å; L343-S389 PolarHBondContact N-O 3.04Å; L343-S389 PolarHBondContact O-N 3.35Å; L343-S389 VanDerWaalsContact O-N 3.11Å; S389-L391 PolarHBondContact O-N 3.43Å
390K94.7Very high90.7Very high54 Ų5449.3 Ų49.324%0.23528%0.275CS..EExtended strand (participates in β ladder)trans-54.7130.7173.9170.2168.5-172.7-67.30110.5I284 I285 V334 P336 A392I284-K390 WeakPolarHBondContact CA-O 3.28Å; I285-K390 HydrophobicContact CB-CB 4.48Å; I285-K390 HydrophobicContact CD1-CD 3.98Å; I285-K390 HydrophobicContact CD1-CG 4.25Å; I285-K390 HydrophobicContact CG1-CG 4.26Å; I285-K390 PolarHBondContact N-O 3.49Å; V334-K390 WeakPolarHBondContact O-CB 3.36Å; V334-K390 PolarHBondContact O-N 2.81Å; P336-K390 HydrophobicContact CB-CB 4.12Å; P336-K390 HydrophobicContact CB-CD 4.12Å; P336-K390 HydrophobicContact CB-CG 4.3Å; P336-K390 HydrophobicContact CG-CB 4.26Å; K390-A392 PolarHBondContact NZ-OXT 3.04Å
391L92.7Very high90.9Very high48 Ų4851.8 Ų51.825%0.25129%0.287SS..BIsolated β-bridgetrans-72.8140.3168.5-157.3151000109.6R341 E353 S389R341-L391 HydrophobicContact CB-CB 4.35Å; R341-L391 PolarHBondContact O-N 3.14Å; E353-L391 VanDerWaalsContact CD-CD1 3.48Å; E353-L391 HydrophobicContact CG-CD1 3.68Å; S389-L391 PolarHBondContact O-N 3.43Å
392A86.8Confident91Very high77 Ų7745 Ų4564%0.63626%0.26SS*.  trans-60.60-16800000114.4G283 I285 V303 K390G283-A392 VanDerWaalsContact O-CB 3.27Å; G283-A392 WeakPolarHBondContact O-CB 3.38Å; G283-A392 PolarHBondContact O-N 3.48Å; I285-A392 HydrophobicContact CG1-CB 4.21Å; V303-A392 HydrophobicContact CB-CB 4.48Å; V303-A392 HydrophobicContact CG1-CB 3.65Å; V303-A392 HydrophobicContact CG2-CB 4.02Å; K390-A392 PolarHBondContact NZ-OXT 3.04Å

Retrieved 392 of 392 residues in 272.5 ms (Link to these results)

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