A0A077ZDH7_TRITR Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZDH7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 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
1M65.8Low78.9Confident201 Ų201124.6 Ų124.699%0.9961%0.605SS**  0-47.90-121.4166.975.500113.8L3 L4M1-L3 PolarHBondContact O-N 3.08Å; M1-L4 PolarHBondContact O-N 3.16Å
2R76.4Confident79.3Confident199 Ų199120.3 Ų120.375%0.75159%0.592SS**Hα-helixtrans-63.6-38-177.3-64.9-175.3-175.7-176.61.3114.9L4 Q5 F6R2-L4 PolarHBondContact O-N 2.91Å; R2-Q5 WeakPolarHBondContact O-CB 3.43Å; R2-Q5 PolarHBondContact O-N 3.13Å; R2-Q5 VanDerWaalsContact O-N 3.17Å; R2-F6 HydrophobicContact CB-CE2 4.43Å; R2-F6 WeakPolarHBondContact O-CD2 3.45Å; R2-F6 PolarHBondContact O-N 2.83Å
3L75.8Confident79.5Confident134 Ų134120.1 Ų120.170%0.70259%0.594SS**Hα-helixtrans-61.7-39.9-179.1-162.676.6000112.9M1 Q5 F6 I7M1-L3 PolarHBondContact O-N 3.08Å; L3-Q5 VanDerWaalsContact C-N 3.33Å; L3-Q5 PolarHBondContact O-N 2.76Å; L3-F6 PolarHBondContact O-N 3.49Å; L3-I7 HydrophobicContact CG-CD1 4.45Å; L3-I7 WeakPolarHBondContact O-CG1 3.26Å; L3-I7 PolarHBondContact O-N 3.13Å; L3-I7 VanDerWaalsContact O-N 3.17Å
4L75.1Confident79.7Confident116 Ų116119.9 Ų119.961%0.60760%0.595SS**Hα-helixtrans-64.1-38.9176.1-116.194.8000111.7M1 R2 F6 I7 W8M1-L4 PolarHBondContact O-N 3.16Å; R2-L4 PolarHBondContact O-N 2.91Å; L4-F6 VanDerWaalsContact C-N 3.34Å; L4-F6 PolarHBondContact O-N 3.4Å; L4-I7 PolarHBondContact O-N 3.36Å; L4-W8 PolarHBondContact O-N 3.22Å
5Q75.6Confident80Confident121 Ų121121.3 Ų121.357%0.56560%0.597SS**Hα-helixtrans-64.4-38.5178.6-68.7175.2-45.600112R2 L3 A9R2-Q5 WeakPolarHBondContact O-CB 3.43Å; R2-Q5 PolarHBondContact O-N 3.13Å; R2-Q5 VanDerWaalsContact O-N 3.17Å; L3-Q5 VanDerWaalsContact C-N 3.33Å; L3-Q5 PolarHBondContact O-N 2.76Å; Q5-A9 WeakPolarHBondContact O-CB 3.31Å; Q5-A9 PolarHBondContact O-N 3.43Å
6F80.2Confident79.9Confident149 Ų149119.1 Ų119.165%0.65459%0.587SS**Hα-helixtrans-65.9-40174.5-76.3-71.4000112.5R2 L3 L4 A9 A10R2-F6 HydrophobicContact CB-CE2 4.43Å; R2-F6 WeakPolarHBondContact O-CD2 3.45Å; R2-F6 PolarHBondContact O-N 2.83Å; L3-F6 PolarHBondContact O-N 3.49Å; L4-F6 VanDerWaalsContact C-N 3.34Å; L4-F6 PolarHBondContact O-N 3.4Å; F6-A9 PolarHBondContact O-N 3.34Å; F6-A10 WeakPolarHBondContact O-CB 3.46Å; F6-A10 PolarHBondContact O-N 2.86Å
7I84.7Confident79.6Confident89 Ų89115.4 Ų115.446%0.45658%0.579SS.*Hα-helixtrans-64.6-45.5177.3-65.8165.8000110.5L3 L4 A9 A10 L11L3-I7 HydrophobicContact CG-CD1 4.45Å; L3-I7 WeakPolarHBondContact O-CG1 3.26Å; L3-I7 PolarHBondContact O-N 3.13Å; L3-I7 VanDerWaalsContact O-N 3.17Å; L4-I7 PolarHBondContact O-N 3.36Å; I7-A9 PolarHBondContact O-N 2.85Å; I7-A10 PolarHBondContact O-N 3.14Å; I7-L11 HydrophobicContact CG2-CD1 3.93Å; I7-L11 HydrophobicContact CG2-CG 4.44Å; I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 WeakPolarHBondContact O-CG 3.29Å; I7-L11 PolarHBondContact O-N 3.18Å
8W78.5Confident79.2Confident171 Ų171112.3 Ų112.365%0.64857%0.571SS**Hα-helixtrans-61.7-42.5176.4-83.3105.7000112.5L4 L11 T12L4-W8 PolarHBondContact O-N 3.22Å; W8-L11 PolarHBondContact O-N 3.4Å; W8-T12 WeakPolarHBondContact O-CG2 3.37Å; W8-T12 PolarHBondContact O-N 2.68Å; W8-T12 PolarHBondContact O-OG1 3.38Å; W8-T12 VanDerWaalsContact O-OG1 3.06Å
9A83.1Confident78.5Confident47 Ų47109.6 Ų109.639%0.38856%0.56SS.*Hα-helixtrans-65.4-38176.600000112.9Q5 F6 I7 T12 L13Q5-A9 WeakPolarHBondContact O-CB 3.31Å; Q5-A9 PolarHBondContact O-N 3.43Å; F6-A9 PolarHBondContact O-N 3.34Å; I7-A9 PolarHBondContact O-N 2.85Å; A9-T12 WeakPolarHBondContact CA-OG1 3.32Å; A9-T12 PolarHBondContact O-OG1 3.16Å; A9-L13 WeakPolarHBondContact O-CB 3.41Å; A9-L13 WeakPolarHBondContact O-CG 3.5Å; A9-L13 PolarHBondContact O-N 2.98Å
10A86.2Confident77.8Confident47 Ų47109.2 Ų109.239%0.38856%0.558SS.*Hα-helixtrans-68.1-41.5176.300000111.8F6 I7 L13 L14F6-A10 WeakPolarHBondContact O-CB 3.46Å; F6-A10 PolarHBondContact O-N 2.86Å; I7-A10 PolarHBondContact O-N 3.14Å; A10-L13 PolarHBondContact O-N 2.83Å; A10-L14 WeakPolarHBondContact O-CB 2.98Å; A10-L14 WeakPolarHBondContact O-CG 3.44Å; A10-L14 PolarHBondContact O-N 3.17Å
11L86.5Confident76.9Confident97 Ų97107.5 Ų107.551%0.50856%0.557SS.*Hα-helixtrans-66.3-39.6177-71.4172.2000112.2I7 W8 L14 F15I7-L11 HydrophobicContact CG2-CD1 3.93Å; I7-L11 HydrophobicContact CG2-CG 4.44Å; I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 WeakPolarHBondContact O-CG 3.29Å; I7-L11 PolarHBondContact O-N 3.18Å; W8-L11 PolarHBondContact O-N 3.4Å; L11-L14 PolarHBondContact O-N 2.83Å; L11-F15 WeakPolarHBondContact O-CB 3.18Å; L11-F15 PolarHBondContact O-N 3.15Å
12T83.3Confident76.3Confident73 Ų73103 Ų10345%0.44854%0.536SS..Hα-helixtrans-67.3-39.4175.149.60000112.1W8 A9 F15 I16W8-T12 WeakPolarHBondContact O-CG2 3.37Å; W8-T12 PolarHBondContact O-N 2.68Å; W8-T12 PolarHBondContact O-OG1 3.38Å; W8-T12 VanDerWaalsContact O-OG1 3.06Å; A9-T12 WeakPolarHBondContact CA-OG1 3.32Å; A9-T12 PolarHBondContact O-OG1 3.16Å; T12-F15 PolarHBondContact O-N 3.21Å; T12-I16 VanDerWaalsContact O-CG1 3.25Å; T12-I16 WeakPolarHBondContact O-CG1 3.42Å; T12-I16 PolarHBondContact O-N 3.39Å
13L82.4Confident75.1Confident117 Ų11799.4 Ų99.461%0.61352%0.523SS*.Hα-helixtrans-63.7-42.2173.9-78.4166.8000112.4A9 A10 F15 I16 A17A9-L13 WeakPolarHBondContact O-CB 3.41Å; A9-L13 WeakPolarHBondContact O-CG 3.5Å; A9-L13 PolarHBondContact O-N 2.98Å; A10-L13 PolarHBondContact O-N 2.83Å; L13-F15 VanDerWaalsContact C-N 3.34Å; L13-I16 PolarHBondContact O-N 2.8Å; L13-A17 VanDerWaalsContact O-CB 3.29Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.48Å
14L82.2Confident74Confident117 Ų11798.1 Ų98.161%0.61351%0.513SS*.Hα-helixtrans-64.6-38.6174.8-74.2168.1000111.7A10 L11 A17 S18A10-L14 WeakPolarHBondContact O-CB 2.98Å; A10-L14 WeakPolarHBondContact O-CG 3.44Å; A10-L14 PolarHBondContact O-N 3.17Å; L11-L14 PolarHBondContact O-N 2.83Å; L14-A17 PolarHBondContact O-N 3.07Å; L14-S18 WeakPolarHBondContact O-CB 3.21Å; L14-S18 PolarHBondContact O-N 2.79Å; L14-S18 PolarHBondContact O-OG 2.96Å
15F84.2Confident72.7Confident141 Ų141101.8 Ų101.862%0.61852%0.519SS*.Hα-helixtrans-65-46.3175.2-172.9-100.8000111.5L11 T12 L13 A17 S18 T19L11-F15 WeakPolarHBondContact O-CB 3.18Å; L11-F15 PolarHBondContact O-N 3.15Å; T12-F15 PolarHBondContact O-N 3.21Å; L13-F15 VanDerWaalsContact C-N 3.34Å; F15-A17 PolarHBondContact O-N 3.42Å; F15-S18 WeakPolarHBondContact CA-OG 3.42Å; F15-S18 PolarHBondContact O-N 3.19Å; F15-S18 PolarHBondContact O-OG 3.11Å; F15-T19 HydrophobicContact CD1-CG2 4.25Å; F15-T19 HydrophobicContact CE1-CG2 3.9Å; F15-T19 HydrophobicContact CE2-CG2 4.42Å; F15-T19 HydrophobicContact CZ-CG2 4Å; F15-T19 WeakPolarHBondContact O-CG2 3.34Å; F15-T19 PolarHBondContact O-N 3.48Å; F15-T19 PolarHBondContact O-OG1 3.3Å
16I79.1Confident71.3Confident87 Ų87101.3 Ų101.345%0.44652%0.52SS..Hα-helixtrans-62.8-43.5175.8-66.2164.1000111.1T12 L13 S18 T19 I20T12-I16 VanDerWaalsContact O-CG1 3.25Å; T12-I16 WeakPolarHBondContact O-CG1 3.42Å; T12-I16 PolarHBondContact O-N 3.39Å; L13-I16 PolarHBondContact O-N 2.8Å; I16-S18 PolarHBondContact O-N 3.18Å; I16-T19 WeakPolarHBondContact CA-OG1 3.28Å; I16-T19 PolarHBondContact O-N 2.97Å; I16-T19 PolarHBondContact O-OG1 3.17Å; I16-I20 HydrophobicContact CG2-CD1 3.71Å; I16-I20 HydrophobicContact CG2-CG1 4.42Å; I16-I20 WeakPolarHBondContact O-CB 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.4Å; I16-I20 PolarHBondContact O-N 3.49Å
17A75Confident69.8Low55 Ų5596 Ų9646%0.45550%0.502SS..Hα-helixtrans-64.5-39.7178.200000112.2L13 L14 F15 S21L13-A17 VanDerWaalsContact O-CB 3.29Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.48Å; L14-A17 PolarHBondContact O-N 3.07Å; F15-A17 PolarHBondContact O-N 3.42Å; A17-S21 VanDerWaalsContact O-CB 3.24Å; A17-S21 WeakPolarHBondContact O-CB 3.37Å; A17-S21 PolarHBondContact O-N 3.12Å
18S71Confident68Low61 Ų6198 Ų9843%0.42751%0.513SS..Hα-helixtrans-71.7-36177.762.50000112.7L14 F15 I16 S21 L22L14-S18 WeakPolarHBondContact O-CB 3.21Å; L14-S18 PolarHBondContact O-N 2.79Å; L14-S18 PolarHBondContact O-OG 2.96Å; F15-S18 WeakPolarHBondContact CA-OG 3.42Å; F15-S18 PolarHBondContact O-N 3.19Å; F15-S18 PolarHBondContact O-OG 3.11Å; I16-S18 PolarHBondContact O-N 3.18Å; S18-S21 PolarHBondContact O-N 2.81Å; S18-L22 WeakPolarHBondContact O-CB 3.39Å; S18-L22 PolarHBondContact O-N 2.73Å
19T66.9Low66.2Low60 Ų6092.1 Ų92.137%0.36851%0.505SS..Hα-helixtrans-68.3-40.8173.355.20000111.5F15 I16 Y23F15-T19 HydrophobicContact CD1-CG2 4.25Å; F15-T19 HydrophobicContact CE1-CG2 3.9Å; F15-T19 HydrophobicContact CE2-CG2 4.42Å; F15-T19 HydrophobicContact CZ-CG2 4Å; F15-T19 WeakPolarHBondContact O-CG2 3.34Å; F15-T19 PolarHBondContact O-N 3.48Å; F15-T19 PolarHBondContact O-OG1 3.3Å; I16-T19 WeakPolarHBondContact CA-OG1 3.28Å; I16-T19 PolarHBondContact O-N 2.97Å; I16-T19 PolarHBondContact O-OG1 3.17Å; T19-Y23 WeakPolarHBondContact O-CB 3.32Å; T19-Y23 PolarHBondContact O-N 3.06Å
20I65.1Low64.4Low101 Ų10191.7 Ų91.752%0.51850%0.496SS..Hα-helixtrans-62.4-44.9172.4-67.7167.2000110.4I16 Y23 H24I16-I20 HydrophobicContact CG2-CD1 3.71Å; I16-I20 HydrophobicContact CG2-CG1 4.42Å; I16-I20 WeakPolarHBondContact O-CB 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.4Å; I16-I20 PolarHBondContact O-N 3.49Å; I20-Y23 PolarHBondContact O-N 2.53Å; I20-H24 VanDerWaalsContact O-CB 3.26Å; I20-H24 WeakPolarHBondContact O-CB 3.41Å; I20-H24 PolarHBondContact O-N 3.37Å
21S57.5Low62.3Low75 Ų7594.8 Ų94.852%0.52451%0.51SS..Hα-helixtrans-68.7-39.1-179.4-162.70000112.3A17 S18 H24 R25A17-S21 VanDerWaalsContact O-CB 3.24Å; A17-S21 WeakPolarHBondContact O-CB 3.37Å; A17-S21 PolarHBondContact O-N 3.12Å; S18-S21 PolarHBondContact O-N 2.81Å; S21-H24 PolarHBondContact O-N 2.78Å; S21-R25 WeakPolarHBondContact O-CB 3.39Å; S21-R25 PolarHBondContact O-N 3.44Å
22L53.1Low60.3Low105 Ų105100.3 Ų100.355%0.5552%0.524SS..Hα-helixtrans-67.6-39.9174.2-167.873.2000111S18 R25 N26S18-L22 WeakPolarHBondContact O-CB 3.39Å; S18-L22 PolarHBondContact O-N 2.73Å; L22-R25 PolarHBondContact O-N 3.27Å; L22-N26 VanDerWaalsContact O-CB 3.3Å; L22-N26 WeakPolarHBondContact O-CB 3.49Å; L22-N26 VanDerWaalsContact O-CG 3.29Å; L22-N26 PolarHBondContact O-N 3.35Å
23Y52.3Low58.2Low125 Ų12598.3 Ų98.349%0.4951%0.512SS..Hα-helixtrans-62.7-45.5173.5-178.4-98.3000111.3T19 I20 R25 N26 S27 W189T19-Y23 WeakPolarHBondContact O-CB 3.32Å; T19-Y23 PolarHBondContact O-N 3.06Å; I20-Y23 PolarHBondContact O-N 2.53Å; Y23-R25 VanDerWaalsContact C-N 3.34Å; Y23-R25 PolarHBondContact O-N 3.45Å; Y23-N26 PolarHBondContact O-N 3.5Å; Y23-S27 PolarHBondContact O-N 3.25Å; Y23-W189 AromaticContact CE1-CH2 3.99Å; Y23-W189 HydrophobicContact CE1-CH2 3.99Å; Y23-W189 AromaticContact CE2-CH2 3.74Å; Y23-W189 HydrophobicContact CE2-CH2 3.74Å; Y23-W189 HydrophobicContact CE2-CZ3 4.11Å; Y23-W189 AromaticContact CZ-CH2 3.24Å; Y23-W189 AromaticContact CZ-CZ3 3.8Å; Y23-W189 WeakPolarHBondContact OH-CH2 3.07Å; Y23-W189 WeakPolarHBondContact OH-CZ3 3.22Å
24H52Low56.3Low107 Ų10799.2 Ų99.250%0.49552%0.523SS..Hα-helixtrans-68.7-32.4177.7-152.3-45.5000112.3I20 S21 S27 L28I20-H24 VanDerWaalsContact O-CB 3.26Å; I20-H24 WeakPolarHBondContact O-CB 3.41Å; I20-H24 PolarHBondContact O-N 3.37Å; S21-H24 PolarHBondContact O-N 2.78Å; H24-S27 PolarHBondContact O-OG 3.13Å; H24-L28 VanDerWaalsContact ND1-CD1 3.28Å; H24-L28 WeakPolarHBondContact ND1-CD1 3.41Å; H24-L28 VanDerWaalsContact O-CB 3.27Å; H24-L28 WeakPolarHBondContact O-CB 3.32Å; H24-L28 WeakPolarHBondContact O-CD1 3.27Å; H24-L28 WeakPolarHBondContact O-CG 3.43Å; H24-L28 PolarHBondContact O-N 3.43Å
25R47.1Very low54.7Low193 Ų19395.8 Ų95.873%0.72850%0.504SS*.Hα-helixtrans-73.6-35.7174-171-178.5-93.6-132.5-0.1111.6S21 L22 Y23 G29S21-R25 WeakPolarHBondContact O-CB 3.39Å; S21-R25 PolarHBondContact O-N 3.44Å; L22-R25 PolarHBondContact O-N 3.27Å; Y23-R25 VanDerWaalsContact C-N 3.34Å; Y23-R25 PolarHBondContact O-N 3.45Å; R25-G29 PolarHBondContact O-N 3.43Å
26N47.2Very low53.2Low111 Ų11194.7 Ų94.759%0.59451%0.512SS*.Hα-helixtrans-73.4-32.9174.2-75.9-10.9000112.3L22 Y23 G29L22-N26 VanDerWaalsContact O-CB 3.3Å; L22-N26 WeakPolarHBondContact O-CB 3.49Å; L22-N26 VanDerWaalsContact O-CG 3.29Å; L22-N26 PolarHBondContact O-N 3.35Å; Y23-N26 PolarHBondContact O-N 3.5Å; N26-G29 PolarHBondContact O-N 2.98Å
27S48.9Very low52.2Low37 Ų3793.7 Ų93.726%0.25950%0.504SS..Hα-helixtrans-72.2-37.6172.282.10000112Y23 H24 G29 L30Y23-S27 PolarHBondContact O-N 3.25Å; H24-S27 PolarHBondContact O-OG 3.13Å; S27-G29 PolarHBondContact O-N 2.83Å; S27-L30 WeakPolarHBondContact O-CD1 3.4Å; S27-L30 PolarHBondContact O-N 2.86Å
28L46.6Very low51.7Low131 Ų13194 Ų9469%0.68650%0.501SS*.Hα-helixtrans-73.3-15.8172.5-71.9167.2000113.1H24 L30H24-L28 VanDerWaalsContact ND1-CD1 3.28Å; H24-L28 WeakPolarHBondContact ND1-CD1 3.41Å; H24-L28 VanDerWaalsContact O-CB 3.27Å; H24-L28 WeakPolarHBondContact O-CB 3.32Å; H24-L28 WeakPolarHBondContact O-CD1 3.27Å; H24-L28 WeakPolarHBondContact O-CG 3.43Å; H24-L28 PolarHBondContact O-N 3.43Å; L28-L30 VanDerWaalsContact C-N 3.28Å
29G39.9Very low51.5Low48 Ų48101.6 Ų101.650%0.49553%0.527SS..THydrogen-bonded Turntrans-83.67175.200000114.7R25 N26 S27 T31R25-G29 PolarHBondContact O-N 3.43Å; N26-G29 PolarHBondContact O-N 2.98Å; S27-G29 PolarHBondContact O-N 2.83Å; G29-T31 VanDerWaalsContact C-N 3.28Å; G29-T31 PolarHBondContact O-N 3.33Å
30L45.8Very low51.8Low37 Ų37102.2 Ų102.219%0.19453%0.534CS..  trans-58.991.2167.9-86.8155.7000109S27 L28 R32 Y207 L239S27-L30 WeakPolarHBondContact O-CD1 3.4Å; S27-L30 PolarHBondContact O-N 2.86Å; L28-L30 VanDerWaalsContact C-N 3.28Å; L30-R32 PolarHBondContact O-N 3.31Å; L30-Y207 HydrophobicContact CD2-CD2 4.16Å; L30-Y207 HydrophobicContact CD2-CE1 4.06Å; L30-Y207 HydrophobicContact CD2-CE2 3.52Å; L30-Y207 VanDerWaalsContact CD2-CZ 3.47Å; L30-L239 HydrophobicContact CB-CD1 3.85Å; L30-L239 HydrophobicContact CD1-CD1 3.74Å; L30-L239 HydrophobicContact CD1-CD2 3.74Å; L30-L239 HydrophobicContact CD1-CG 4.35Å; L30-L239 HydrophobicContact CG-CD1 4.29Å
31T41.9Very low52.7Low112 Ų11298.1 Ų98.169%0.68751%0.513SS*.  trans-51111.9161.347.50000106.2G29 P33G29-T31 VanDerWaalsContact C-N 3.28Å; G29-T31 PolarHBondContact O-N 3.33Å; T31-P33 WeakPolarHBondContact O-CD 3.32Å
32R44.6Very low54.3Low214 Ų21499.9 Ų99.981%0.80852%0.517SS*.  trans-39.5118.7-177.6-70.3179.9176.4-176.4-1.9108.8L30 V34L30-R32 PolarHBondContact O-N 3.31Å; R32-V34 WeakPolarHBondContact O-CG2 3.42Å; R32-V34 PolarHBondContact O-N 3.06Å
33P38.6Very low56.3Low30 Ų3096.6 Ų96.620%0.19550%0.499CS..  trans-56.8109.4172.8-23.634.7000107.3T31 I35 I236T31-P33 WeakPolarHBondContact O-CD 3.32Å; P33-I35 HydrophobicContact CB-CD1 3.54Å; P33-I35 PolarHBondContact O-N 2.79Å; P33-I236 HydrophobicContact CB-CD1 3.93Å; P33-I236 HydrophobicContact CG-CD1 3.94Å; P33-I236 HydrophobicContact CG-CG1 3.97Å
34V43.8Very low58.3Low137 Ų13793.6 Ų93.683%0.8349%0.494SS*.  trans-79.271.6178-173.70000106.8R32R32-V34 WeakPolarHBondContact O-CG2 3.42Å; R32-V34 PolarHBondContact O-N 3.06Å
35I47.7Very low60.3Low44 Ų4489.4 Ų89.423%0.22648%0.475CS..  trans-86.8119.7162.8-65.8119.5000105.6P33 F37 Y232 I236P33-I35 HydrophobicContact CB-CD1 3.54Å; P33-I35 PolarHBondContact O-N 2.79Å; I35-F37 HydrophobicContact CB-CD2 4.41Å; I35-F37 HydrophobicContact CB-CE2 4.16Å; I35-F37 HydrophobicContact CG2-CD2 4.21Å; I35-F37 HydrophobicContact CG2-CE2 3.9Å; I35-F37 HydrophobicContact CG2-CZ 4.09Å; I35-F37 PolarHBondContact O-N 2.74Å; I35-Y232 HydrophobicContact CB-CE1 4.31Å; I35-Y232 WeakPolarHBondContact CB-OH 3.35Å; I35-Y232 HydrophobicContact CD1-CE1 3.79Å; I35-Y232 HydrophobicContact CD1-CE2 3.99Å; I35-Y232 WeakPolarHBondContact CD1-OH 3.34Å; I35-Y232 HydrophobicContact CG1-CE1 4.34Å; I35-Y232 WeakPolarHBondContact CG1-OH 3.32Å; I35-Y232 HydrophobicContact CG2-CE1 4.21Å; I35-Y232 VanDerWaalsContact CG2-OH 3.26Å; I35-Y232 WeakPolarHBondContact CG2-OH 3.47Å; I35-I236 HydrophobicContact CD1-CD1 4.25Å
36P52.7Low62.6Low119 Ų11983.4 Ų83.477%0.77346%0.457SS*.  trans-69.987.5-177.529.1-33.2000108.5
37F58Low64.8Low66 Ų6678.4 Ų78.429%0.28943%0.43SS..  trans-76.8140.2167.4-78.3-67.4000109.6I35 K39 T134 L138 Y232 L233I35-F37 HydrophobicContact CB-CD2 4.41Å; I35-F37 HydrophobicContact CB-CE2 4.16Å; I35-F37 HydrophobicContact CG2-CD2 4.21Å; I35-F37 HydrophobicContact CG2-CE2 3.9Å; I35-F37 HydrophobicContact CG2-CZ 4.09Å; I35-F37 PolarHBondContact O-N 2.74Å; F37-K39 PolarHBondContact O-N 3.3Å; F37-T134 HydrophobicContact CD1-CG2 4.41Å; F37-T134 HydrophobicContact CE1-CG2 3.33Å; F37-T134 HydrophobicContact CZ-CG2 3.55Å; F37-L138 HydrophobicContact CB-CD1 4.36Å; F37-L138 HydrophobicContact CD1-CD1 3.61Å; F37-L138 HydrophobicContact CE1-CD1 4.23Å; F37-L138 HydrophobicContact CG-CD1 4.22Å; F37-Y232 AromaticContact CE2-CD1 4Å; F37-Y232 HydrophobicContact CE2-CD1 4Å; F37-Y232 AromaticContact CE2-CE1 3.49Å; F37-Y232 HydrophobicContact CE2-CE1 3.49Å; F37-Y232 VanDerWaalsContact CE2-CE1 3.49Å; F37-Y232 AromaticContact CZ-CD1 3.72Å; F37-Y232 HydrophobicContact CZ-CD1 3.72Å; F37-Y232 AromaticContact CZ-CE1 3.33Å; F37-Y232 HydrophobicContact CZ-CE1 3.33Å; F37-L233 HydrophobicContact CD2-CD2 4.16Å; F37-L233 HydrophobicContact CE2-CD2 3.63Å; F37-L233 HydrophobicContact CE2-CG 4.43Å; F37-L233 HydrophobicContact CZ-CD2 3.94Å; F37-L233 HydrophobicContact CZ-CG 4.29Å
38P64.5Low66.6Low61 Ų6183.8 Ų83.840%0.39645%0.451SS..  trans-62.7139.1169.132.3-35.2000108S40 V41 L135P38-S40 WeakPolarHBondContact CB-O 3.41Å; P38-S40 PolarHBondContact O-N 3.4Å; P38-V41 HydrophobicContact CG-CG2 4.33Å; P38-L135 HydrophobicContact CG-CD2 3.81Å
39K66.5Low67.7Low221 Ų22181 Ų8196%0.96144%0.437SS*.SBendtrans-64.4-23.4178.3-69.7-176.2178.2-179.70112.4F37F37-K39 PolarHBondContact O-N 3.3Å
40S74.6Confident68.8Low73 Ų7379 Ų7951%0.5142%0.415SS..  trans-150.9158.6178.7560000109.6P38P38-S40 WeakPolarHBondContact CB-O 3.41Å; P38-S40 PolarHBondContact O-N 3.4Å
41V83.1Confident69.2Low14 Ų1482.7 Ų82.79%0.08543%0.434CS..  trans-116.5139.4171.1-174.20000108P38 L43 A124 F126 L138 S139 Q142P38-V41 HydrophobicContact CG-CG2 4.33Å; V41-L43 PolarHBondContact O-N 2.76Å; V41-A124 HydrophobicContact CG1-CB 4.08Å; V41-F126 HydrophobicContact CG1-CD1 4.02Å; V41-F126 HydrophobicContact CG1-CE1 4.48Å; V41-L138 HydrophobicContact CG2-CB 4.16Å; V41-S139 WeakPolarHBondContact CB-OG 3.28Å; V41-S139 VanDerWaalsContact CG1-OG 3.29Å; V41-S139 WeakPolarHBondContact CG1-OG 3.49Å; V41-Q142 PolarHBondContact O-NE2 3.25Å; V41-Q142 PolarHBondContact O-OE1 3.27Å; V41-Q142 VanDerWaalsContact O-OE1 3.11Å
42N92.4Very high69.7Low112 Ų11278.4 Ų78.460%0.59941%0.409SS*.  trans-71.3127175-71.7-16.9000109.6A124 D125N42-A124 WeakPolarHBondContact O-CA 3.2Å; N42-D125 HydrophobicContact CB-CB 3.86Å; N42-D125 WeakPolarHBondContact O-CB 3.5Å; N42-D125 PolarHBondContact O-N 2.82Å
43L93.2Very high69.6Low36 Ų3670 Ų7019%0.18838%0.383CS..EExtended strand (participates in β ladder)trans-97.8133.8172.6-58.7176.1000108.8V41 I46 L122 Q123 A124 W143V41-L43 PolarHBondContact O-N 2.76Å; L43-I46 HydrophobicContact CB-CD1 3.54Å; L43-I46 HydrophobicContact CD1-CD1 3.53Å; L43-I46 HydrophobicContact CG-CD1 4.16Å; L43-L122 HydrophobicContact CD1-CD1 4.04Å; L43-L122 HydrophobicContact CD2-CD1 4Å; L43-Q123 CarbonylContact C-O 3.46Å; L43-A124 HydrophobicContact CD2-CB 4.02Å; L43-W143 HydrophobicContact CD1-CB 4.09Å
44T94.7Very high69.7Low62 Ų6273.5 Ų73.538%0.3842%0.415SS..EExtended strand (participates in β ladder)trans-107.3-28.5-176.550.80000112.9Q123 D125T44-Q123 PolarHBondContact N-O 2.77Å; T44-Q123 VanDerWaalsContact OG1-CG 3.32Å; T44-Q123 WeakPolarHBondContact OG1-CG 3.47Å; T44-Q123 PolarHBondContact OG1-O 2.99Å; T44-Q123 VanDerWaalsContact OG1-O 3.06Å; T44-Q123 PolarHBondContact OG1-OE1 3.02Å; T44-D125 HydrophobicContact CG2-CB 3.9Å
45I95.5Very high69.4Low20 Ų2070.1 Ų70.110%0.10340%0.397CS..EExtended strand (participates in β ladder)trans-130.4128.8172.6-57.6178.8000107.2I112 S115 I121 Q123I45-I112 HydrophobicContact CD1-CG1 4.15Å; I45-S115 WeakPolarHBondContact CG2-OG 3.33Å; I45-I121 HydrophobicContact CD1-CG2 4.48Å; I45-I121 HydrophobicContact CG2-CB 4.29Å; I45-I121 HydrophobicContact CG2-CG2 4.32Å; I45-I121 WeakPolarHBondContact CG2-O 3.4Å; I45-Q123 HydrophobicContact CB-CB 3.7Å; I45-Q123 HydrophobicContact CD1-CB 3.95Å; I45-Q123 VanDerWaalsContact CD1-OE1 3.23Å; I45-Q123 HydrophobicContact CG1-CB 3.83Å; I45-Q123 PolarHBondContact N-O 2.89Å; I45-Q123 PolarHBondContact O-N 3.25Å
46I94.4Very high68.8Low67 Ų6778.3 Ų78.334%0.34443%0.425SS..  trans-111.7130.5174.9-56.4-62.8000107.9L43 L122L43-I46 HydrophobicContact CB-CD1 3.54Å; L43-I46 HydrophobicContact CD1-CD1 3.53Å; L43-I46 HydrophobicContact CG-CD1 4.16Å; I46-L122 HydrophobicContact CD1-CD1 4.22Å
47P93.4Very high68.3Low5 Ų582 Ų823%0.03243%0.432CS..  trans-64.2140.9178.427.5-36.2000111V50 V96 G119 I121 W143P47-V50 HydrophobicContact CG-CG2 4.3Å; P47-V96 HydrophobicContact CB-CG1 4.3Å; P47-V96 HydrophobicContact CB-CG2 4.1Å; P47-V96 HydrophobicContact CG-CG1 3.96Å; P47-V96 HydrophobicContact CG-CG2 4.06Å; P47-G119 CarbonylContact C-O 3.56Å; P47-G119 VanDerWaalsContact CA-O 3.31Å; P47-G119 WeakPolarHBondContact CA-O 3.17Å; P47-G119 WeakPolarHBondContact CB-O 3.46Å; P47-I121 WeakPolarHBondContact CD-O 3.48Å; P47-W143 HydrophobicContact CG-CZ2 3.45Å; P47-W143 VanDerWaalsContact CG-CZ2 3.45Å
48H86.4Confident67.5Low151 Ų15182.3 Ų82.370%0.69944%0.442SS*.SBendtrans-80-21.4176.5-62.6-54.8000112.7V50 G119H48-V50 VanDerWaalsContact C-N 3.26Å; H48-V50 PolarHBondContact O-N 2.82Å; H48-V50 VanDerWaalsContact O-N 3.16Å; H48-G119 PolarHBondContact N-O 3.17Å
49I70.3Confident66.5Low73 Ų7387.2 Ų87.237%0.37447%0.465SS..THydrogen-bonded Turntrans-82.913.6-164.1-157.8161.8000115.1N51 P94 V96 D120I49-N51 PolarHBondContact O-N 3.26Å; I49-N51 VanDerWaalsContact O-N 3.13Å; I49-P94 HydrophobicContact CG1-CB 4.11Å; I49-P94 HydrophobicContact CG1-CG 4.29Å; I49-P94 HydrophobicContact CG2-CB 3.84Å; I49-P94 VanDerWaalsContact O-CG 3.29Å; I49-P94 WeakPolarHBondContact O-CG 3.45Å; I49-V96 HydrophobicContact CG2-CG2 4.35Å; I49-D120 HydrophobicContact CG2-CB 4.38Å
50V63Low65.9Low6 Ų680.1 Ų80.14%0.03644%0.438CS..THydrogen-bonded Turntrans-72.9-7.6-178.2-151.80000113.1P47 H48 C52 W143 H147 Q150 V151P47-V50 HydrophobicContact CG-CG2 4.3Å; H48-V50 VanDerWaalsContact C-N 3.26Å; H48-V50 PolarHBondContact O-N 2.82Å; H48-V50 VanDerWaalsContact O-N 3.16Å; V50-C52 VanDerWaalsContact C-N 3.26Å; V50-C52 PolarHBondContact O-N 3.01Å; V50-W143 HydrophobicContact CG1-CZ2 4.29Å; V50-W143 HydrophobicContact CG2-CH2 4.46Å; V50-W143 HydrophobicContact CG2-CZ2 3.56Å; V50-H147 HydrophobicContact CG1-CB 3.95Å; V50-Q150 PolarHBondContact O-OE1 3.11Å; V50-V151 HydrophobicContact CG1-CG2 3.91Å
51N53.3Low65Low113 Ų11382.1 Ų82.160%0.60445%0.451SS*.  trans-71.983.4169.6-114.8-10.8000110.1I49 S53I49-N51 PolarHBondContact O-N 3.26Å; I49-N51 VanDerWaalsContact O-N 3.13Å; N51-S53 PolarHBondContact O-N 3.49Å
52C52.3Low63.9Low22 Ų2291.7 Ų91.715%0.14949%0.486CS..  trans-61.420.2165.5-69.90000113.1V50 A54 K65V50-C52 VanDerWaalsContact C-N 3.26Å; V50-C52 PolarHBondContact O-N 3.01Å; C52-A54 VanDerWaalsContact C-N 3.27Å; C52-A54 PolarHBondContact O-N 2.92Å; C52-K65 HydrophobicContact CB-CB 4.28Å; C52-K65 HydrophobicContact CB-CD 4.03Å; C52-K65 HydrophobicContact CB-CG 4.15Å
53S43.7Very low62.6Low38 Ų3891.5 Ų91.527%0.26648%0.481SS..G310 helixtrans-83.19.3-179.953.50000114.2N51 S55 R56N51-S53 PolarHBondContact O-N 3.49Å; S53-S55 PolarHBondContact O-N 2.76Å; S53-S55 VanDerWaalsContact O-N 3.13Å; S53-R56 WeakPolarHBondContact O-CG 3.16Å; S53-R56 PolarHBondContact O-N 3.01Å
54A40.5Very low61.6Low104 Ų10491.1 Ų91.186%0.8648%0.481SS*.G310 helixtrans-67.6-3.6173.300000113.6C52 R56C52-A54 VanDerWaalsContact C-N 3.27Å; C52-A54 PolarHBondContact O-N 2.92Å; A54-R56 VanDerWaalsContact C-N 3.35Å; A54-R56 PolarHBondContact O-N 3.27Å
55S36.3Very low61Low66 Ų6692.9 Ų92.946%0.46248%0.484SS..G310 helixtrans-90.825170.878.70000114.5S53 Q57 S58S53-S55 PolarHBondContact O-N 2.76Å; S53-S55 VanDerWaalsContact O-N 3.13Å; S55-Q57 PolarHBondContact O-N 2.94Å; S55-S58 PolarHBondContact O-N 3.23Å
56R37.1Very low60.5Low216 Ų21692.7 Ų92.782%0.81548%0.482SS*.THydrogen-bonded Turntrans-64.96.4175.2-80.8-176.7-167.2177.16.3114.8S53 A54S53-R56 WeakPolarHBondContact O-CG 3.16Å; S53-R56 PolarHBondContact O-N 3.01Å; A54-R56 VanDerWaalsContact C-N 3.35Å; A54-R56 PolarHBondContact O-N 3.27Å
57Q41.6Very low60.3Low197 Ų19789.6 Ų89.692%0.92147%0.466SS*.THydrogen-bonded Turntrans-128.68.5174.1-75.8-176.8-12.200115S55S55-Q57 PolarHBondContact O-N 2.94Å
58S40.2Very low60.1Low71 Ų7189.3 Ų89.350%0.49747%0.465SS..  trans-123.3108.3166.363.30000109.6S55 D60S55-S58 PolarHBondContact O-N 3.23Å; S58-D60 PolarHBondContact O-N 3.45Å
59D43.7Very low60.4Low165 Ų16582.1 Ų82.188%0.88243%0.431SS*.  trans-63.416.6179.7-164.723.9000114.6S61D59-S61 VanDerWaalsContact C-N 3.3Å; D59-S61 PolarHBondContact O-N 3.23Å; D59-S61 VanDerWaalsContact O-N 3.08Å
60D53.7Low61.5Low72 Ų7278.7 Ų78.739%0.38541%0.413SS..  trans-88.174.5174.8-162.314.7000110.1S58 R62 Q63S58-D60 PolarHBondContact O-N 3.45Å; D60-R62 PolarHBondContact O-N 3.45Å; D60-R62 WeakPolarHBondContact OD1-CB 3.07Å; D60-Q63 HydrophobicContact CB-CG 4.45Å; D60-Q63 PolarHBondContact O-N 2.87Å; D60-Q63 WeakPolarHBondContact OD2-CG 3.48Å; D60-Q63 PolarHBondContact OD2-NE2 3.32Å
61S55.8Low62.9Low114 Ų11479 Ų7980%0.79741%0.414SS*.THydrogen-bonded Turntrans-56.43.517154.10000114.7D59D59-S61 VanDerWaalsContact C-N 3.3Å; D59-S61 PolarHBondContact O-N 3.23Å; D59-S61 VanDerWaalsContact O-N 3.08Å
62R59.5Low64.9Low216 Ų21673.7 Ų73.782%0.81539%0.386SS*.THydrogen-bonded Turntrans-104-9.2-178-60.1-173177.5112.3-0.8115.1D60D60-R62 PolarHBondContact O-N 3.45Å; D60-R62 WeakPolarHBondContact OD1-CB 3.07Å
63Q66.7Low66.9Low107 Ų10778 Ų7850%0.540%0.399SS..SBendtrans-76.1127.6178.4-68.7-76.7-21.900110D60 K65D60-Q63 HydrophobicContact CB-CG 4.45Å; D60-Q63 PolarHBondContact O-N 2.87Å; D60-Q63 WeakPolarHBondContact OD2-CG 3.48Å; D60-Q63 PolarHBondContact OD2-NE2 3.32Å; Q63-K65 PolarHBondContact O-N 2.82Å
64P71.8Confident69.4Low29 Ų2976.3 Ų76.319%0.18839%0.388CS..PPolyproline II helixtrans-65.4133.2178.123.5-29.3000111.2D152 F153 M172P64-D152 WeakPolarHBondContact CA-OD2 3.47Å; P64-D152 HydrophobicContact CB-CB 4.39Å; P64-F153 HydrophobicContact CB-CD2 3.73Å; P64-F153 HydrophobicContact CB-CE2 3.33Å; P64-F153 HydrophobicContact CB-CZ 4.44Å; P64-F153 HydrophobicContact CG-CE2 4.27Å; P64-M172 HydrophobicContact CG-CB 4.34Å; P64-M172 WeakPolarHBondContact CG-O 3.47Å
65K82.6Confident71.9Confident98 Ų9875.8 Ų75.843%0.42637%0.367SS..PPolyproline II helixtrans-80.7125.2173.8-65.8174.5-177.6171.80108.8C52 Q63 Q150 D152 F153C52-K65 HydrophobicContact CB-CB 4.28Å; C52-K65 HydrophobicContact CB-CD 4.03Å; C52-K65 HydrophobicContact CB-CG 4.15Å; Q63-K65 PolarHBondContact O-N 2.82Å; K65-Q150 WeakPolarHBondContact CD-O 3.3Å; K65-D152 PolarHBondContact N-OD2 2.97Å; K65-D152 WeakPolarHBondContact O-CA 3.38Å; K65-D152 WeakPolarHBondContact O-CB 3.22Å; K65-D152 PolarHBondContact O-N 3.23Å; K65-F153 PolarHBondContact O-N 2.83Å
66F84.7Confident74.7Confident17 Ų1775 Ų758%0.07536%0.356CS..EExtended strand (participates in β ladder)trans-133.6160.4176.266.6-82.2000111.6C93 F153 V155 L168 E169 M172F66-C93 HydrophobicContact CD1-CB 4.46Å; F66-C93 HydrophobicContact CD2-CB 3.88Å; F66-C93 HydrophobicContact CE1-CB 4.29Å; F66-C93 HydrophobicContact CE2-CB 3.71Å; F66-C93 WeakPolarHBondContact CE2-SG 3.28Å; F66-C93 HydrophobicContact CG-CB 4.26Å; F66-C93 HydrophobicContact CZ-CB 3.91Å; F66-C93 WeakPolarHBondContact O-CB 3.07Å; F66-F153 CarbonylContact C-O 3.54Å; F66-F153 WeakPolarHBondContact CA-O 3.31Å; F66-F153 HydrophobicContact CB-CB 3.73Å; F66-F153 WeakPolarHBondContact CB-O 3.41Å; F66-V155 HydrophobicContact CD2-CG2 4.22Å; F66-L168 HydrophobicContact CE2-CD1 4.36Å; F66-L168 HydrophobicContact CE2-CD2 3.95Å; F66-L168 HydrophobicContact CE2-CG 3.84Å; F66-L168 HydrophobicContact CZ-CG 4.32Å; F66-E169 HydrophobicContact CZ-CG 4.08Å; F66-M172 HydrophobicContact CB-CE 3.73Å; F66-M172 HydrophobicContact CD1-CB 3.95Å; F66-M172 HydrophobicContact CD1-CE 4.33Å; F66-M172 HydrophobicContact CD1-CG 3.7Å; F66-M172 HydrophobicContact CD2-CE 4.49Å; F66-M172 HydrophobicContact CD2-CG 4.07Å; F66-M172 HydrophobicContact CE1-CB 3.89Å; F66-M172 HydrophobicContact CE1-CG 3.7Å; F66-M172 HydrophobicContact CE2-CG 4.04Å; F66-M172 HydrophobicContact CG-CE 3.97Å; F66-M172 HydrophobicContact CG-CG 3.9Å; F66-M172 HydrophobicContact CZ-CB 4.46Å; F66-M172 HydrophobicContact CZ-CG 3.88Å
67V89.7Confident77.4Confident1 Ų167.1 Ų67.11%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-132.2136.3175176.60000109.1V69 P94 V96 W143 V151 F153 F154 V155V67-V69 HydrophobicContact CG1-CG2 4.29Å; V67-P94 HydrophobicContact CG1-CB 4.37Å; V67-P94 HydrophobicContact CG2-CB 4.41Å; V67-P94 HydrophobicContact CG2-CG 4.33Å; V67-V96 HydrophobicContact CG1-CG2 3.96Å; V67-W143 HydrophobicContact CG1-CH2 4.01Å; V67-V151 HydrophobicContact CB-CG1 4.27Å; V67-V151 HydrophobicContact CG2-CB 4.49Å; V67-V151 HydrophobicContact CG2-CG1 3.91Å; V67-V151 HydrophobicContact CG2-CG2 3.66Å; V67-F153 PolarHBondContact N-O 2.96Å; V67-F154 HydrophobicContact CB-CD1 4.12Å; V67-F154 HydrophobicContact CB-CE1 4.39Å; V67-F154 CarbonylContact O-C 3.5Å; V67-F154 WeakPolarHBondContact O-CA 3.42Å; V67-V155 PolarHBondContact O-N 3.06Å
68V90.3Very high80Confident0 Ų064.1 Ų64.10%032%0.318CS..EExtended strand (participates in β ladder)trans-91130.7171.8-178.50000108.8L70 W87 L91 P94 V95 V96 V155 M163 L168V68-L70 HydrophobicContact CG1-CD2 3.79Å; V68-L70 HydrophobicContact CG1-CG 4.07Å; V68-W87 HydrophobicContact CG1-CH2 4.34Å; V68-L91 HydrophobicContact CG2-CD1 4.04Å; V68-P94 PolarHBondContact N-O 3.46Å; V68-V95 HydrophobicContact CB-CG1 4.38Å; V68-V95 HydrophobicContact CB-CG2 4.13Å; V68-V95 HydrophobicContact CG1-CG1 4.36Å; V68-V95 CarbonylContact O-C 3.58Å; V68-V95 WeakPolarHBondContact O-CA 3.13Å; V68-V96 PolarHBondContact O-N 3.4Å; V68-V155 CarbonylContact C-O 3.51Å; V68-V155 VanDerWaalsContact CA-O 3.29Å; V68-V155 WeakPolarHBondContact CA-O 3.28Å; V68-V155 HydrophobicContact CG2-CB 4.18Å; V68-M163 HydrophobicContact CG1-CE 3.99Å; V68-M163 HydrophobicContact CG1-SD 4.07Å; V68-L168 HydrophobicContact CG2-CD2 3.83Å
69V92.2Very high82.6Confident0 Ų063.1 Ų63.10%031%0.306CS..EExtended strand (participates in β ladder)trans-119.9118.6176.2-170.40000109.2V67 V96 A98 I140 W143 M144 F154 V155 Q156 G157V67-V69 HydrophobicContact CG1-CG2 4.29Å; V69-V96 CarbonylContact C-O 3.49Å; V69-V96 WeakPolarHBondContact CA-O 3.34Å; V69-V96 HydrophobicContact CG1-CG1 4.42Å; V69-V96 HydrophobicContact CG2-CB 4.42Å; V69-A98 HydrophobicContact CG1-CB 4.2Å; V69-I140 HydrophobicContact CB-CG2 4.3Å; V69-I140 HydrophobicContact CG1-CD1 4.06Å; V69-I140 HydrophobicContact CG1-CG1 3.95Å; V69-I140 HydrophobicContact CG1-CG2 3.82Å; V69-W143 HydrophobicContact CG2-CE3 4.35Å; V69-W143 HydrophobicContact CG2-CH2 4.38Å; V69-W143 HydrophobicContact CG2-CZ3 3.6Å; V69-M144 HydrophobicContact CB-CE 4.13Å; V69-M144 HydrophobicContact CG2-CE 3.85Å; V69-F154 HydrophobicContact CG2-CD1 4.43Å; V69-V155 PolarHBondContact N-O 3.32Å; V69-Q156 VanDerWaalsContact O-CA 3.29Å; V69-Q156 WeakPolarHBondContact O-CA 3.21Å; V69-G157 PolarHBondContact O-N 3.03Å
70L93Very high85.1Confident0 Ų055.3 Ų55.30%026%0.264CS..EExtended strand (participates in β ladder)trans-108.1125.4-177.8-59179.3000110.5V68 T72 I83 W87 V95 V96 F97 A98 G157 M163V68-L70 HydrophobicContact CG1-CD2 3.79Å; V68-L70 HydrophobicContact CG1-CG 4.07Å; L70-T72 HydrophobicContact CB-CG2 4.2Å; L70-T72 PolarHBondContact O-N 3.49Å; L70-I83 HydrophobicContact CD1-CD1 4.04Å; L70-I83 HydrophobicContact CD1-CG2 3.85Å; L70-W87 HydrophobicContact CD1-CH2 3.67Å; L70-W87 HydrophobicContact CD1-CZ2 3.71Å; L70-W87 HydrophobicContact CD2-CH2 4.16Å; L70-W87 HydrophobicContact CG-CH2 4.41Å; L70-V95 HydrophobicContact CD1-CG1 3.81Å; L70-V95 HydrophobicContact CG-CG1 4.1Å; L70-V96 PolarHBondContact N-O 3.21Å; L70-F97 HydrophobicContact CB-CD1 4.07Å; L70-F97 HydrophobicContact CB-CE1 4.49Å; L70-F97 HydrophobicContact CD1-CD1 4.16Å; L70-F97 HydrophobicContact CD1-CE1 3.75Å; L70-A98 PolarHBondContact O-N 3.42Å; L70-G157 CarbonylContact C-O 3.57Å; L70-G157 WeakPolarHBondContact CA-O 3.36Å; L70-M163 HydrophobicContact CD2-CE 3.63Å
71K92.6Very high87.1Confident12 Ų1255.7 Ų55.75%0.05226%0.262CS..EExtended strand (participates in β ladder)trans-72.9114.8169-72.6-179-72178.40108.4K136 I140 G157 D158 S159 V228K71-K136 HydrophobicContact CB-CD 4.13Å; K71-K136 HydrophobicContact CD-CD 4.46Å; K71-K136 HydrophobicContact CG-CD 3.99Å; K71-K136 HydrophobicContact CG-CG 4.3Å; K71-I140 HydrophobicContact CD-CD1 4.08Å; K71-I140 HydrophobicContact CG-CD1 3.49Å; K71-I140 VanDerWaalsContact CG-CD1 3.49Å; K71-G157 PolarHBondContact N-O 3.03Å; K71-D158 WeakPolarHBondContact CE-OD1 3.2Å; K71-D158 IonicContact NZ-OD1 3.75Å; K71-S159 PolarHBondContact O-N 3.39Å; K71-V228 PolarHBondContact NZ-O 2.86Å
72T95.1Very high89Confident3 Ų351 Ų512%0.01823%0.231CC..  trans-126.5162.6176.878.50000109.9L70 E76 R80 F97 A98 V99 K136L70-T72 HydrophobicContact CB-CG2 4.2Å; L70-T72 PolarHBondContact O-N 3.49Å; T72-E76 VanDerWaalsContact CA-OE2 3.3Å; T72-E76 WeakPolarHBondContact CA-OE2 3.43Å; T72-E76 WeakPolarHBondContact CB-OE2 3.41Å; T72-R80 HydrophobicContact CG2-CG 4.01Å; T72-R80 PolarHBondContact OG1-NH1 2.98Å; T72-F97 HydrophobicContact CG2-CB 4.11Å; T72-F97 HydrophobicContact CG2-CD1 3.55Å; T72-F97 HydrophobicContact CG2-CE1 4.44Å; T72-F97 HydrophobicContact CG2-CG 4.29Å; T72-A98 PolarHBondContact N-O 3.46Å; T72-V99 WeakPolarHBondContact OG1-CG1 3.39Å; T72-K136 PolarHBondContact O-NZ 2.86Å
73R94.5Very high90.7Very high111 Ų11140.9 Ų40.942%0.41919%0.192SC..  trans-88.9149.8170.2-58.5173.7-172.7-98.3-2.1110.3E75 E76 R80R73-E75 PolarHBondContact O-N 2.81Å; R73-E75 VanDerWaalsContact O-N 3.12Å; R73-E76 HydrophobicContact CB-CB 4.38Å; R73-E76 HydrophobicContact CB-CG 3.87Å; R73-E76 VanDerWaalsContact CD-OE1 3.28Å; R73-E76 WeakPolarHBondContact CD-OE1 3.32Å; R73-E76 HydrophobicContact CG-CG 4.38Å; R73-E76 WeakPolarHBondContact CG-OE1 3.27Å; R73-E76 PolarHBondContact N-OE2 2.91Å; R73-E76 IonicContact NE-OE1 3.71Å; R73-E76 WeakPolarHBondContact O-CB 3.1Å; R73-E76 PolarHBondContact O-N 2.8Å; R73-R80 PolarHBondContact O-NH1 3.32Å
74I95.3Very high92.1Very high4 Ų437.3 Ų37.32%0.02117%0.174CC..THydrogen-bonded Turntrans-55.4-33.1176.5-168.9174.1000112.7E76 R80 N107 N108 I111 D128I74-E76 PolarHBondContact O-N 3.43Å; I74-R80 PolarHBondContact O-NH2 3.31Å; I74-N107 HydrophobicContact CD1-CB 4.14Å; I74-N107 HydrophobicContact CG1-CB 4.28Å; I74-N108 WeakPolarHBondContact CD1-OD1 3.22Å; I74-I111 HydrophobicContact CD1-CB 4.19Å; I74-I111 HydrophobicContact CD1-CG2 3.77Å; I74-I111 HydrophobicContact CG1-CB 4Å; I74-I111 HydrophobicContact CG1-CG1 4.36Å; I74-I111 HydrophobicContact CG1-CG2 4.14Å; I74-D128 HydrophobicContact CG2-CB 4.31Å; I74-D128 PolarHBondContact N-OD2 3.31Å
75E94.1Very high93.2Very high93 Ų9341.9 Ų41.944%0.43519%0.193SC..THydrogen-bonded Turntrans-73-17175.9-63.575-15900114.9R73 V77 S102 N107R73-E75 PolarHBondContact O-N 2.81Å; R73-E75 VanDerWaalsContact O-N 3.12Å; E75-V77 PolarHBondContact O-N 3.22Å; E75-S102 PolarHBondContact OE1-OG 3.2Å; E75-N107 WeakPolarHBondContact CG-ND2 3.45Å; E75-N107 PolarHBondContact OE1-ND2 2.8Å; E75-N107 VanDerWaalsContact OE1-ND2 3.11Å
76E94.5Very high93.7Very high48 Ų4839.3 Ų39.322%0.22419%0.186CC..  trans-78.344.7-174.2-77.6170.6-172.800113.7T72 R73 I74 E78 Q79 R80 S159T72-E76 VanDerWaalsContact CA-OE2 3.3Å; T72-E76 WeakPolarHBondContact CA-OE2 3.43Å; T72-E76 WeakPolarHBondContact CB-OE2 3.41Å; R73-E76 HydrophobicContact CB-CB 4.38Å; R73-E76 HydrophobicContact CB-CG 3.87Å; R73-E76 VanDerWaalsContact CD-OE1 3.28Å; R73-E76 WeakPolarHBondContact CD-OE1 3.32Å; R73-E76 HydrophobicContact CG-CG 4.38Å; R73-E76 WeakPolarHBondContact CG-OE1 3.27Å; R73-E76 PolarHBondContact N-OE2 2.91Å; R73-E76 IonicContact NE-OE1 3.71Å; R73-E76 WeakPolarHBondContact O-CB 3.1Å; R73-E76 PolarHBondContact O-N 2.8Å; I74-E76 PolarHBondContact O-N 3.43Å; E76-E78 PolarHBondContact O-N 2.98Å; E76-Q79 HydrophobicContact CB-CB 4.04Å; E76-Q79 HydrophobicContact CG-CB 4.5Å; E76-Q79 PolarHBondContact O-N 3.02Å; E76-R80 WeakPolarHBondContact O-CG 3.36Å; E76-R80 PolarHBondContact O-N 3.44Å; E76-S159 WeakPolarHBondContact OE2-CB 3.18Å; E76-S159 PolarHBondContact OE2-OG 3.48Å
77V94.9Very high93.9Very high52 Ų5239.2 Ų39.232%0.31519%0.185SC..Hα-helixtrans-59.7-49.7-177.4-178.20000111.5E75 Q79 R80 K81E75-V77 PolarHBondContact O-N 3.22Å; V77-Q79 VanDerWaalsContact C-N 3.32Å; V77-Q79 PolarHBondContact O-N 3.14Å; V77-R80 PolarHBondContact O-N 3.34Å; V77-K81 PolarHBondContact O-N 3.37Å
78E94.9Very high94Very high134 Ų13439.8 Ų39.863%0.62619%0.189SC*.Hα-helixtrans-66.7-33.7-179.6-62.4-53.3133.300112.3E76 K81 A82E76-E78 PolarHBondContact O-N 2.98Å; E78-K81 PolarHBondContact O-N 2.79Å; E78-A82 WeakPolarHBondContact O-CB 3.41Å; E78-A82 PolarHBondContact O-N 3.47Å
79Q94.5Very high94.1Very high50 Ų5043.6 Ų43.623%0.23422%0.216CC..Hα-helixtrans-66.8-45.9176.3-172.863.626.200110.9E76 V77 K81 A82 I83 S159E76-Q79 HydrophobicContact CB-CB 4.04Å; E76-Q79 HydrophobicContact CG-CB 4.5Å; E76-Q79 PolarHBondContact O-N 3.02Å; V77-Q79 VanDerWaalsContact C-N 3.32Å; V77-Q79 PolarHBondContact O-N 3.14Å; Q79-K81 VanDerWaalsContact C-N 3.32Å; Q79-K81 PolarHBondContact O-N 3Å; Q79-A82 PolarHBondContact O-N 3.29Å; Q79-I83 HydrophobicContact CG-CD1 4.06Å; Q79-I83 WeakPolarHBondContact O-CD1 3.23Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.09Å; Q79-I83 PolarHBondContact O-N 3.09Å; Q79-S159 PolarHBondContact NE2-O 2.96Å
80R97Very high94.1Very high1 Ų149.8 Ų49.80%0.00425%0.245CC..Hα-helixtrans-59.6-44.9174.8-71.3-168.5-67.9-80.3-0.4111.2T72 R73 I74 E76 V77 I83 R84 F97 E114T72-R80 HydrophobicContact CG2-CG 4.01Å; T72-R80 PolarHBondContact OG1-NH1 2.98Å; R73-R80 PolarHBondContact O-NH1 3.32Å; I74-R80 PolarHBondContact O-NH2 3.31Å; E76-R80 WeakPolarHBondContact O-CG 3.36Å; E76-R80 PolarHBondContact O-N 3.44Å; V77-R80 PolarHBondContact O-N 3.34Å; R80-I83 PolarHBondContact O-N 3.03Å; R80-R84 WeakPolarHBondContact O-CG 3.49Å; R80-R84 PolarHBondContact O-N 3.33Å; R80-F97 HydrophobicContact CB-CD1 4.3Å; R80-F97 HydrophobicContact CB-CE1 4.15Å; R80-F97 HydrophobicContact CB-CE2 4.46Å; R80-F97 HydrophobicContact CB-CG 4.45Å; R80-F97 HydrophobicContact CB-CZ 4.24Å; R80-F97 HydrophobicContact CG-CB 4.25Å; R80-F97 HydrophobicContact CG-CD1 3.66Å; R80-F97 HydrophobicContact CG-CD2 4.37Å; R80-F97 HydrophobicContact CG-CE1 3.96Å; R80-F97 HydrophobicContact CG-CG 3.84Å; R80-F97 HydrophobicContact CG-CZ 4.48Å; R80-E114 IonicContact CZ-OE1 2.64Å; R80-E114 IonicContact CZ-OE2 2.8Å; R80-E114 VanDerWaalsContact NE-CD 3.33Å; R80-E114 IonicContact NE-OE1 2.78Å; R80-E114 PolarHBondContact NE-OE1 2.89Å; R80-E114 IonicContact NE-OE2 3.74Å; R80-E114 PolarHBondContact NE-OE2 2.56Å; R80-E114 VanDerWaalsContact NE-OE2 3.15Å; R80-E114 IonicContact NH2-OE1 3.99Å; R80-E114 IonicContact NH2-OE2 2.8Å; R80-E114 PolarHBondContact NH2-OE2 2.64Å
81K96.2Very high93.8Very high79 Ų7950.6 Ų50.634%0.34325%0.249SC..Hα-helixtrans-58.4-49.6175.2-176.8-179173.5-171.70111.9V77 E78 Q79 I83 R84 E85V77-K81 PolarHBondContact O-N 3.37Å; E78-K81 PolarHBondContact O-N 2.79Å; Q79-K81 VanDerWaalsContact C-N 3.32Å; Q79-K81 PolarHBondContact O-N 3Å; K81-I83 VanDerWaalsContact C-N 3.32Å; K81-I83 PolarHBondContact O-N 2.71Å; K81-R84 WeakPolarHBondContact O-CB 3.33Å; K81-R84 PolarHBondContact O-N 3.15Å; K81-E85 WeakPolarHBondContact CE-OE1 3.27Å; K81-E85 HydrophobicContact CG-CG 4.44Å; K81-E85 WeakPolarHBondContact CG-OE1 3.4Å; K81-E85 WeakPolarHBondContact O-CB 3.3Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 2.8Å
82A95.4Very high93.5Very high17 Ų1760.5 Ų60.514%0.1429%0.286CS..Hα-helixtrans-62.1-39179.100000112.4E78 Q79 E85 T86 F262E78-A82 WeakPolarHBondContact O-CB 3.41Å; E78-A82 PolarHBondContact O-N 3.47Å; Q79-A82 PolarHBondContact O-N 3.29Å; A82-E85 PolarHBondContact O-N 2.78Å; A82-T86 VanDerWaalsContact O-CB 3.29Å; A82-T86 WeakPolarHBondContact O-CB 3.31Å; A82-T86 WeakPolarHBondContact O-CG2 3.16Å; A82-T86 PolarHBondContact O-N 3.03Å; A82-T86 PolarHBondContact O-OG1 2.63Å; A82-F262 HydrophobicContact CB-CE1 3.64Å; A82-F262 HydrophobicContact CB-CE2 4.2Å; A82-F262 HydrophobicContact CB-CZ 3.28Å
83I95Very high93.1Very high2 Ų261 Ų611%0.0129%0.29CS..Hα-helixtrans-60.9-50.2174-70.3161.7000110.6L70 Q79 R80 K81 E85 T86 W87 A88 F97L70-I83 HydrophobicContact CD1-CD1 4.04Å; L70-I83 HydrophobicContact CD1-CG2 3.85Å; Q79-I83 HydrophobicContact CG-CD1 4.06Å; Q79-I83 WeakPolarHBondContact O-CD1 3.23Å; Q79-I83 VanDerWaalsContact O-CG1 3.28Å; Q79-I83 WeakPolarHBondContact O-CG1 3.09Å; Q79-I83 PolarHBondContact O-N 3.09Å; R80-I83 PolarHBondContact O-N 3.03Å; K81-I83 VanDerWaalsContact C-N 3.32Å; K81-I83 PolarHBondContact O-N 2.71Å; I83-E85 VanDerWaalsContact C-N 3.28Å; I83-E85 PolarHBondContact O-N 3.35Å; I83-T86 PolarHBondContact O-N 3.07Å; I83-T86 PolarHBondContact O-OG1 2.8Å; I83-W87 HydrophobicContact CG1-CZ2 4.4Å; I83-W87 HydrophobicContact CG2-CD2 4.47Å; I83-W87 HydrophobicContact CG2-CH2 4.14Å; I83-W87 HydrophobicContact CG2-CZ2 3.52Å; I83-A88 HydrophobicContact CG2-CB 3.84Å; I83-A88 WeakPolarHBondContact O-CB 3.4Å; I83-A88 PolarHBondContact O-N 2.95Å; I83-F97 HydrophobicContact CB-CE1 4.11Å; I83-F97 HydrophobicContact CB-CZ 4.17Å; I83-F97 HydrophobicContact CD1-CE1 4.01Å; I83-F97 HydrophobicContact CG2-CE1 3.86Å; I83-F97 HydrophobicContact CG2-CZ 3.86Å
84R95.3Very high93Very high33 Ų3356.6 Ų56.613%0.12528%0.276CS..Hα-helixtrans-54.5-44.7177-70.9178.4-170.9110.3-0.9111.7R80 K81 T86 S89 F97 E114 D120R80-R84 WeakPolarHBondContact O-CG 3.49Å; R80-R84 PolarHBondContact O-N 3.33Å; K81-R84 WeakPolarHBondContact O-CB 3.33Å; K81-R84 PolarHBondContact O-N 3.15Å; R84-T86 VanDerWaalsContact C-N 3.35Å; R84-S89 WeakPolarHBondContact O-CB 3.15Å; R84-S89 PolarHBondContact O-N 3.2Å; R84-F97 HydrophobicContact CG-CE2 3.77Å; R84-F97 HydrophobicContact CG-CZ 3.87Å; R84-E114 IonicContact CZ-OE1 2.83Å; R84-E114 VanDerWaalsContact CZ-OE1 3.26Å; R84-E114 IonicContact NH1-OE1 2.68Å; R84-E114 PolarHBondContact NH1-OE1 3.01Å; R84-E114 IonicContact NH2-OE1 3.26Å; R84-E114 PolarHBondContact NH2-OE1 2.88Å; R84-D120 IonicContact CZ-OD1 3.3Å; R84-D120 IonicContact CZ-OD2 3.33Å; R84-D120 IonicContact NE-OD1 3.87Å; R84-D120 IonicContact NE-OD2 2.71Å; R84-D120 PolarHBondContact NE-OD2 3.5Å; R84-D120 IonicContact NH2-OD1 2.74Å; R84-D120 PolarHBondContact NH2-OD1 2.88Å; R84-D120 IonicContact NH2-OD2 3.15Å; R84-D120 PolarHBondContact NH2-OD2 2.99Å
85E94.4Very high92.9Very high124 Ų12457.1 Ų57.158%0.57928%0.279SS*.Hα-helixtrans-80.3-11.1-175.9-68.8174.9175.900114K81 A82 I83K81-E85 WeakPolarHBondContact CE-OE1 3.27Å; K81-E85 HydrophobicContact CG-CG 4.44Å; K81-E85 WeakPolarHBondContact CG-OE1 3.4Å; K81-E85 WeakPolarHBondContact O-CB 3.3Å; K81-E85 WeakPolarHBondContact O-CG 3.42Å; K81-E85 PolarHBondContact O-N 2.8Å; A82-E85 PolarHBondContact O-N 2.78Å; I83-E85 VanDerWaalsContact C-N 3.28Å; I83-E85 PolarHBondContact O-N 3.35Å
86T93.3Very high93Very high45 Ų4552.8 Ų52.828%0.27626%0.259SS..THydrogen-bonded Turntrans-112.3-110.5-177.559.30000111.8A82 I83 R84 A88 S89A82-T86 VanDerWaalsContact O-CB 3.29Å; A82-T86 WeakPolarHBondContact O-CB 3.31Å; A82-T86 WeakPolarHBondContact O-CG2 3.16Å; A82-T86 PolarHBondContact O-N 3.03Å; A82-T86 PolarHBondContact O-OG1 2.63Å; I83-T86 PolarHBondContact O-N 3.07Å; I83-T86 PolarHBondContact O-OG1 2.8Å; R84-T86 VanDerWaalsContact C-N 3.35Å; T86-A88 VanDerWaalsContact C-N 3.35Å; T86-A88 PolarHBondContact O-N 3.4Å; T86-S89 PolarHBondContact O-N 3Å; T86-S89 PolarHBondContact O-OG 2.8Å
87W90.7Very high93.1Very high15 Ų1550.5 Ų50.56%0.05725%0.248CC..THydrogen-bonded Turntrans-71.1-28.9-170.561.7-96.1000112.7V68 L70 I83 S89 Q90 L91 M163 P165V68-W87 HydrophobicContact CG1-CH2 4.34Å; L70-W87 HydrophobicContact CD1-CH2 3.67Å; L70-W87 HydrophobicContact CD1-CZ2 3.71Å; L70-W87 HydrophobicContact CD2-CH2 4.16Å; L70-W87 HydrophobicContact CG-CH2 4.41Å; I83-W87 HydrophobicContact CG1-CZ2 4.4Å; I83-W87 HydrophobicContact CG2-CD2 4.47Å; I83-W87 HydrophobicContact CG2-CH2 4.14Å; I83-W87 HydrophobicContact CG2-CZ2 3.52Å; W87-S89 VanDerWaalsContact C-N 3.33Å; W87-S89 PolarHBondContact O-N 2.88Å; W87-Q90 PolarHBondContact O-N 2.99Å; W87-L91 HydrophobicContact CE3-CD1 3.89Å; W87-L91 HydrophobicContact CZ3-CD1 3.62Å; W87-M163 HydrophobicContact CD2-CB 4.31Å; W87-M163 HydrophobicContact CE3-CB 3.9Å; W87-M163 HydrophobicContact CH2-CB 4.24Å; W87-M163 HydrophobicContact CH2-CE 4.33Å; W87-M163 HydrophobicContact CH2-CG 3.97Å; W87-M163 HydrophobicContact CH2-SD 3.98Å; W87-M163 HydrophobicContact CZ2-CG 4.36Å; W87-M163 HydrophobicContact CZ3-CB 3.87Å; W87-M163 HydrophobicContact CZ3-CG 4.06Å; W87-M163 HydrophobicContact CZ3-SD 4.07Å; W87-P165 HydrophobicContact CB-CG 4.15Å; W87-P165 WeakPolarHBondContact O-CG 3.47Å
88A91.9Very high93.1Very high12 Ų1248.1 Ų48.110%0.09923%0.234CC..G310 helixtrans-68.1-33.1178.700000112.3I83 T86 Q90 L91 V95I83-A88 HydrophobicContact CG2-CB 3.84Å; I83-A88 WeakPolarHBondContact O-CB 3.4Å; I83-A88 PolarHBondContact O-N 2.95Å; T86-A88 VanDerWaalsContact C-N 3.35Å; T86-A88 PolarHBondContact O-N 3.4Å; A88-Q90 PolarHBondContact O-N 3.35Å; A88-Q90 VanDerWaalsContact O-N 3.14Å; A88-L91 WeakPolarHBondContact O-CB 2.9Å; A88-L91 PolarHBondContact O-N 3.38Å; A88-L91 VanDerWaalsContact O-N 3.09Å; A88-V95 HydrophobicContact CB-CB 4.46Å; A88-V95 HydrophobicContact CB-CG2 3.77Å
89S91.6Very high93.2Very high80 Ų8041.8 Ų41.856%0.55920%0.204SC*.G310 helixtrans-61-21.9176.871.20000114R84 T86 W87R84-S89 WeakPolarHBondContact O-CB 3.15Å; R84-S89 PolarHBondContact O-N 3.2Å; T86-S89 PolarHBondContact O-N 3Å; T86-S89 PolarHBondContact O-OG 2.8Å; W87-S89 VanDerWaalsContact C-N 3.33Å; W87-S89 PolarHBondContact O-N 2.88Å
90Q91.1Very high93.3Very high131 Ų13139.4 Ų39.461%0.61219%0.193SC*.G310 helixtrans-93.3-4.9-178.9-64.3175.252.700112.7W87 A88 P165W87-Q90 PolarHBondContact O-N 2.99Å; A88-Q90 PolarHBondContact O-N 3.35Å; A88-Q90 VanDerWaalsContact O-N 3.14Å; Q90-P165 HydrophobicContact CB-CB 3.93Å; Q90-P165 HydrophobicContact CB-CG 3.78Å
91L87.9Confident93.3Very high17 Ų1742.2 Ų42.29%0.08921%0.205CC..  trans-84.1140.3175.4-72.4172.6000110.9V68 W87 A88 C93 V95 P165 L168V68-L91 HydrophobicContact CG2-CD1 4.04Å; W87-L91 HydrophobicContact CE3-CD1 3.89Å; W87-L91 HydrophobicContact CZ3-CD1 3.62Å; A88-L91 WeakPolarHBondContact O-CB 2.9Å; A88-L91 PolarHBondContact O-N 3.38Å; A88-L91 VanDerWaalsContact O-N 3.09Å; L91-C93 VanDerWaalsContact C-N 3.26Å; L91-V95 HydrophobicContact CD1-CG2 3.97Å; L91-P165 HydrophobicContact CD2-CB 3.66Å; L91-P165 HydrophobicContact CD2-CG 4.41Å; L91-P165 HydrophobicContact CG-CB 4.01Å; L91-P165 HydrophobicContact CG-CG 4.38Å; L91-L168 HydrophobicContact CD1-CD2 4.31Å; L91-L168 HydrophobicContact CD2-CB 4.42Å; L91-L168 HydrophobicContact CD2-CD2 3.82Å; L91-L168 HydrophobicContact CD2-CG 4.34Å
92R86.3Confident93.3Very high220 Ų22039 Ų3983%0.8319%0.193SC*.SBendtrans-81.9-4.4170.9-65171.5-176.1-175.71.3113.7E169R92-E169 VanDerWaalsContact CB-OE1 3.31Å; R92-E169 WeakPolarHBondContact CB-OE1 3.45Å; R92-E169 WeakPolarHBondContact CG-OE1 2.91Å; R92-E169 PolarHBondContact N-OE1 3.34Å; R92-E169 IonicContact NE-OE2 2.63Å
93C87Confident93.3Very high14 Ų1444.9 Ų44.910%0.09522%0.221CC..SBendtrans-104.4155.3179.164.40000111.9F66 L91F66-C93 HydrophobicContact CD1-CB 4.46Å; F66-C93 HydrophobicContact CD2-CB 3.88Å; F66-C93 HydrophobicContact CE1-CB 4.29Å; F66-C93 HydrophobicContact CE2-CB 3.71Å; F66-C93 WeakPolarHBondContact CE2-SG 3.28Å; F66-C93 HydrophobicContact CG-CB 4.26Å; F66-C93 HydrophobicContact CZ-CB 3.91Å; F66-C93 WeakPolarHBondContact O-CB 3.07Å; L91-C93 VanDerWaalsContact C-N 3.26Å
94P91.7Very high93.3Very high18 Ų1850.8 Ų50.812%0.11725%0.249CC..  trans-61.3147.6169.1-20.632.5000112.8I49 V67 V68I49-P94 HydrophobicContact CG1-CB 4.11Å; I49-P94 HydrophobicContact CG1-CG 4.29Å; I49-P94 HydrophobicContact CG2-CB 3.84Å; I49-P94 VanDerWaalsContact O-CG 3.29Å; I49-P94 WeakPolarHBondContact O-CG 3.45Å; V67-P94 HydrophobicContact CG1-CB 4.37Å; V67-P94 HydrophobicContact CG2-CB 4.41Å; V67-P94 HydrophobicContact CG2-CG 4.33Å; V68-P94 PolarHBondContact N-O 3.46Å
95V93.1Very high93.2Very high15 Ų1553.7 Ų53.79%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-114.8131.3166.8-177.20000107.8V68 L70 A88 L91 F97 D120V68-V95 HydrophobicContact CB-CG1 4.38Å; V68-V95 HydrophobicContact CB-CG2 4.13Å; V68-V95 HydrophobicContact CG1-CG1 4.36Å; V68-V95 CarbonylContact O-C 3.58Å; V68-V95 WeakPolarHBondContact O-CA 3.13Å; L70-V95 HydrophobicContact CD1-CG1 3.81Å; L70-V95 HydrophobicContact CG-CG1 4.1Å; A88-V95 HydrophobicContact CB-CB 4.46Å; A88-V95 HydrophobicContact CB-CG2 3.77Å; L91-V95 HydrophobicContact CD1-CG2 3.97Å; V95-F97 HydrophobicContact CG1-CE1 4.34Å; V95-F97 HydrophobicContact CG1-CE2 4.48Å; V95-F97 HydrophobicContact CG1-CZ 4.16Å; V95-D120 WeakPolarHBondContact O-CB 3.16Å
96V95.5Very high93.2Very high1 Ų150.3 Ų50.31%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-116.6133.5178.9172.20000109P47 I49 V67 V68 V69 L70 D120 L122 W143P47-V96 HydrophobicContact CB-CG1 4.3Å; P47-V96 HydrophobicContact CB-CG2 4.1Å; P47-V96 HydrophobicContact CG-CG1 3.96Å; P47-V96 HydrophobicContact CG-CG2 4.06Å; I49-V96 HydrophobicContact CG2-CG2 4.35Å; V67-V96 HydrophobicContact CG1-CG2 3.96Å; V68-V96 PolarHBondContact O-N 3.4Å; V69-V96 CarbonylContact C-O 3.49Å; V69-V96 WeakPolarHBondContact CA-O 3.34Å; V69-V96 HydrophobicContact CG1-CG1 4.42Å; V69-V96 HydrophobicContact CG2-CB 4.42Å; L70-V96 PolarHBondContact N-O 3.21Å; V96-D120 CarbonylContact C-O 3.47Å; V96-D120 VanDerWaalsContact CA-O 3.32Å; V96-D120 WeakPolarHBondContact CA-O 3.37Å; V96-L122 HydrophobicContact CG1-CB 3.72Å; V96-W143 HydrophobicContact CB-CH2 4.39Å; V96-W143 HydrophobicContact CG1-CH2 4.49Å; V96-W143 HydrophobicContact CG2-CH2 3.82Å; V96-W143 HydrophobicContact CG2-CZ2 4.08Å
97F96.5Very high93.3Very high1 Ų149.6 Ų49.60%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-102.6114.8176.5-57.8-79.1000110.4L70 T72 R80 I83 R84 V95 D120 I121 L122L70-F97 HydrophobicContact CB-CD1 4.07Å; L70-F97 HydrophobicContact CB-CE1 4.49Å; L70-F97 HydrophobicContact CD1-CD1 4.16Å; L70-F97 HydrophobicContact CD1-CE1 3.75Å; T72-F97 HydrophobicContact CG2-CB 4.11Å; T72-F97 HydrophobicContact CG2-CD1 3.55Å; T72-F97 HydrophobicContact CG2-CE1 4.44Å; T72-F97 HydrophobicContact CG2-CG 4.29Å; R80-F97 HydrophobicContact CB-CD1 4.3Å; R80-F97 HydrophobicContact CB-CE1 4.15Å; R80-F97 HydrophobicContact CB-CE2 4.46Å; R80-F97 HydrophobicContact CB-CG 4.45Å; R80-F97 HydrophobicContact CB-CZ 4.24Å; R80-F97 HydrophobicContact CG-CB 4.25Å; R80-F97 HydrophobicContact CG-CD1 3.66Å; R80-F97 HydrophobicContact CG-CD2 4.37Å; R80-F97 HydrophobicContact CG-CE1 3.96Å; R80-F97 HydrophobicContact CG-CG 3.84Å; R80-F97 HydrophobicContact CG-CZ 4.48Å; I83-F97 HydrophobicContact CB-CE1 4.11Å; I83-F97 HydrophobicContact CB-CZ 4.17Å; I83-F97 HydrophobicContact CD1-CE1 4.01Å; I83-F97 HydrophobicContact CG2-CE1 3.86Å; I83-F97 HydrophobicContact CG2-CZ 3.86Å; R84-F97 HydrophobicContact CG-CE2 3.77Å; R84-F97 HydrophobicContact CG-CZ 3.87Å; V95-F97 HydrophobicContact CG1-CE1 4.34Å; V95-F97 HydrophobicContact CG1-CE2 4.48Å; V95-F97 HydrophobicContact CG1-CZ 4.16Å; F97-D120 HydrophobicContact CD2-CB 4.5Å; F97-D120 WeakPolarHBondContact CE2-OD2 3.29Å; F97-D120 PolarHBondContact N-O 3.46Å; F97-I121 HydrophobicContact CB-CD1 3.95Å; F97-I121 HydrophobicContact CD2-CD1 4.34Å; F97-L122 PolarHBondContact O-N 3.35Å
98A96.1Very high93.6Very high2 Ų250.4 Ų50.42%0.01727%0.267CS..EExtended strand (participates in β ladder)trans-90.4127.9178.900000111.3V69 L70 T72 L122 K136 I140V69-A98 HydrophobicContact CG1-CB 4.2Å; L70-A98 PolarHBondContact O-N 3.42Å; T72-A98 PolarHBondContact N-O 3.46Å; A98-L122 CarbonylContact C-O 3.53Å; A98-L122 VanDerWaalsContact CA-O 3.3Å; A98-L122 WeakPolarHBondContact CA-O 3.48Å; A98-L122 HydrophobicContact CB-CD2 4.35Å; A98-K136 HydrophobicContact CB-CG 4.45Å; A98-I140 HydrophobicContact CB-CD1 3.59Å; A98-I140 HydrophobicContact CB-CG1 3.55Å
99V97.2Very high93.8Very high1 Ų153.6 Ų53.61%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-138.5158.4-176.4-65.80000111.4T72 I111 I121 L122 Q123 A124T72-V99 WeakPolarHBondContact OG1-CG1 3.39Å; V99-I111 HydrophobicContact CG2-CD1 4.29Å; V99-I111 HydrophobicContact CG2-CG1 4.04Å; V99-I121 HydrophobicContact CG2-CG2 3.79Å; V99-L122 PolarHBondContact N-O 3.42Å; V99-Q123 HydrophobicContact CG2-CB 3.89Å; V99-Q123 HydrophobicContact CG2-CG 4Å; V99-Q123 WeakPolarHBondContact O-CA 2.98Å; V99-A124 PolarHBondContact O-N 2.75Å
100G96.6Very high94Very high0 Ų055.8 Ų55.80%029%0.288CS..EExtended strand (participates in β ladder)trans-95.7-163.1163.500000112.1Q123 F126 D128G100-Q123 PolarHBondContact O-NE2 2.8Å; G100-F126 CarbonylContact C-O 3.58Å; G100-D128 PolarHBondContact N-OD2 3.46Å
101K96.7Very high94.3Very high59 Ų5949.6 Ų49.626%0.25726%0.259SS..EExtended strand (participates in β ladder)trans-91154.1169.2-70.2-173.2173.5174.70111.6N108 D125 F126 I127 D128K101-N108 WeakPolarHBondContact CA-OD1 3.39Å; K101-D125 VanDerWaalsContact CD-OD1 3.28Å; K101-D125 WeakPolarHBondContact CD-OD1 3.29Å; K101-D125 WeakPolarHBondContact CE-OD1 3.39Å; K101-D125 VanDerWaalsContact NZ-CG 3.35Å; K101-D125 IonicContact NZ-OD1 3.84Å; K101-D125 PolarHBondContact NZ-OD1 2.9Å; K101-D125 IonicContact NZ-OD2 3.43Å; K101-F126 PolarHBondContact N-O 3.33Å; K101-I127 HydrophobicContact CB-CD1 4.43Å; K101-I127 CarbonylContact O-C 3.3Å; K101-I127 WeakPolarHBondContact O-CA 3.27Å; K101-D128 PolarHBondContact O-N 2.86Å
102S96.2Very high94.7Very high11 Ų1153.6 Ų53.68%0.07728%0.28CS..  trans-96.9154.8168.1-162.60000110.8E75 H104 N107 N108E75-S102 PolarHBondContact OE1-OG 3.2Å; S102-H104 PolarHBondContact O-N 3.39Å; S102-H104 PolarHBondContact OG-N 2.92Å; S102-N107 PolarHBondContact OG-ND2 2.69Å; S102-N108 PolarHBondContact N-OD1 2.74Å; S102-N108 PolarHBondContact O-ND2 3.02Å
103L94.7Very high95.2Very high142 Ų14247.8 Ų47.874%0.74327%0.265SS*.SBendtrans-67.1-24.8163.8-68.4172.2000111.5S105 I127L103-S105 PolarHBondContact O-N 2.72Å; L103-I127 HydrophobicContact CD2-CD1 3.66Å; L103-I127 HydrophobicContact CD2-CG1 4.01Å; L103-I127 HydrophobicContact CG-CD1 4.1Å; L103-I127 HydrophobicContact CG-CG1 4.46Å; L103-I127 HydrophobicContact CG-CG2 4.12Å
104H94.9Very high95.7Very high126 Ų12647.7 Ų47.758%0.58326%0.263SS*.SBendtrans-85.9110.2177.5-58.390.6000109.8S102 A106 N107 N108S102-H104 PolarHBondContact O-N 3.39Å; S102-H104 PolarHBondContact OG-N 2.92Å; H104-A106 PolarHBondContact O-N 3.48Å; H104-A106 VanDerWaalsContact O-N 3.12Å; H104-N107 PolarHBondContact O-N 3.48Å; H104-N108 PolarHBondContact O-ND2 2.96Å
105S93.2Very high95.9Very high93 Ų9347.3 Ų47.365%0.6526%0.261SS*.Hα-helixtrans-52.7-35.6-179.557.60000113.2L103 N107 N108 S109L103-S105 PolarHBondContact O-N 2.72Å; S105-N107 VanDerWaalsContact C-N 3.28Å; S105-N107 PolarHBondContact O-N 3.4Å; S105-N108 WeakPolarHBondContact O-CB 3.48Å; S105-N108 PolarHBondContact O-N 3.17Å; S105-N108 VanDerWaalsContact O-N 3.09Å; S105-S109 PolarHBondContact O-N 3.09Å; S105-S109 PolarHBondContact O-OG 3.31Å
106A95.4Very high96Very high54 Ų5450.8 Ų50.845%0.44629%0.286SS..Hα-helixtrans-57.1-37.2176.200000113.5H104 S109 K110H104-A106 PolarHBondContact O-N 3.48Å; H104-A106 VanDerWaalsContact O-N 3.12Å; A106-S109 PolarHBondContact O-N 3.14Å; A106-K110 VanDerWaalsContact O-CG 3.3Å; A106-K110 WeakPolarHBondContact O-CG 3.2Å; A106-K110 PolarHBondContact O-N 2.92Å
107N96.2Very high96Very high30 Ų3055.7 Ų55.716%0.1631%0.311CS..Hα-helixtrans-71.5-36.5177.4-69.5-13.5000111.2I74 E75 S102 H104 S105 K110 I111I74-N107 HydrophobicContact CD1-CB 4.14Å; I74-N107 HydrophobicContact CG1-CB 4.28Å; E75-N107 WeakPolarHBondContact CG-ND2 3.45Å; E75-N107 PolarHBondContact OE1-ND2 2.8Å; E75-N107 VanDerWaalsContact OE1-ND2 3.11Å; S102-N107 PolarHBondContact OG-ND2 2.69Å; H104-N107 PolarHBondContact O-N 3.48Å; S105-N107 VanDerWaalsContact C-N 3.28Å; S105-N107 PolarHBondContact O-N 3.4Å; N107-K110 PolarHBondContact O-N 2.79Å; N107-I111 PolarHBondContact O-N 3.38Å
108N96.1Very high96Very high32 Ų3260.6 Ų60.617%0.17133%0.331CS..Hα-helixtrans-65.6-38.8174.2-62.2-57.8000111.8I74 K101 S102 H104 S105 I111 I112I74-N108 WeakPolarHBondContact CD1-OD1 3.22Å; K101-N108 WeakPolarHBondContact CA-OD1 3.39Å; S102-N108 PolarHBondContact N-OD1 2.74Å; S102-N108 PolarHBondContact O-ND2 3.02Å; H104-N108 PolarHBondContact O-ND2 2.96Å; S105-N108 WeakPolarHBondContact O-CB 3.48Å; S105-N108 PolarHBondContact O-N 3.17Å; S105-N108 VanDerWaalsContact O-N 3.09Å; N108-I111 VanDerWaalsContact O-CG2 3.27Å; N108-I111 WeakPolarHBondContact O-CG2 3.29Å; N108-I112 WeakPolarHBondContact O-CD1 3.44Å; N108-I112 VanDerWaalsContact O-CG1 3.28Å; N108-I112 WeakPolarHBondContact O-CG1 3.41Å; N108-I112 PolarHBondContact O-N 3.21Å
109S96.1Very high96Very high79 Ų7961 Ų6155%0.55233%0.334SS*.Hα-helixtrans-66.6-40173.9-57.10000112.2S105 A106 I112 N113S105-S109 PolarHBondContact O-N 3.09Å; S105-S109 PolarHBondContact O-OG 3.31Å; A106-S109 PolarHBondContact O-N 3.14Å; S109-I112 PolarHBondContact O-N 3.29Å; S109-N113 PolarHBondContact O-N 3.44Å; S109-N113 VanDerWaalsContact O-N 3.13Å
110K96.6Very high95.9Very high125 Ų12561.5 Ų61.554%0.54334%0.337SS..Hα-helixtrans-62.4-44.1177.4-77.3173.1179.9-178.90112.3A106 N107 I112 N113 E114A106-K110 VanDerWaalsContact O-CG 3.3Å; A106-K110 WeakPolarHBondContact O-CG 3.2Å; A106-K110 PolarHBondContact O-N 2.92Å; N107-K110 PolarHBondContact O-N 2.79Å; K110-I112 VanDerWaalsContact C-N 3.34Å; K110-I112 PolarHBondContact O-N 2.75Å; K110-N113 PolarHBondContact O-N 2.95Å; K110-E114 WeakPolarHBondContact O-CB 3.3Å; K110-E114 PolarHBondContact O-N 3.07Å
111I97.3Very high96Very high1 Ų161.5 Ų61.51%0.00534%0.337CS..Hα-helixtrans-69.4-32.2-179.1-163.667.5000112.3I74 V99 N107 N108 E114 S115 I121I74-I111 HydrophobicContact CD1-CB 4.19Å; I74-I111 HydrophobicContact CD1-CG2 3.77Å; I74-I111 HydrophobicContact CG1-CB 4Å; I74-I111 HydrophobicContact CG1-CG1 4.36Å; I74-I111 HydrophobicContact CG1-CG2 4.14Å; V99-I111 HydrophobicContact CG2-CD1 4.29Å; V99-I111 HydrophobicContact CG2-CG1 4.04Å; N107-I111 PolarHBondContact O-N 3.38Å; N108-I111 VanDerWaalsContact O-CG2 3.27Å; N108-I111 WeakPolarHBondContact O-CG2 3.29Å; I111-E114 HydrophobicContact CD1-CB 4.5Å; I111-E114 WeakPolarHBondContact CD1-OE2 3.36Å; I111-E114 PolarHBondContact O-N 3.35Å; I111-S115 VanDerWaalsContact O-CB 3.28Å; I111-S115 WeakPolarHBondContact O-CB 3.34Å; I111-S115 PolarHBondContact O-N 2.89Å; I111-I121 HydrophobicContact CD1-CD1 3.97Å; I111-I121 HydrophobicContact CD1-CG1 4.14Å; I111-I121 HydrophobicContact CD1-CG2 4.06Å; I111-I121 HydrophobicContact CG1-CG2 3.9Å
112I96.3Very high96Very high101 Ų10158.8 Ų58.852%0.51833%0.326SS..Hα-helixtrans-63-46.2171.8-68.7165.2000110.2I45 N108 S109 K110 S115 S116I45-I112 HydrophobicContact CD1-CG1 4.15Å; N108-I112 WeakPolarHBondContact O-CD1 3.44Å; N108-I112 VanDerWaalsContact O-CG1 3.28Å; N108-I112 WeakPolarHBondContact O-CG1 3.41Å; N108-I112 PolarHBondContact O-N 3.21Å; S109-I112 PolarHBondContact O-N 3.29Å; K110-I112 VanDerWaalsContact C-N 3.34Å; K110-I112 PolarHBondContact O-N 2.75Å; I112-S115 PolarHBondContact O-N 3.06Å; I112-S116 PolarHBondContact O-N 3.29Å
113N96.6Very high96Very high98 Ų9858.6 Ų58.652%0.52432%0.323SS..Hα-helixtrans-62.8-45.3176.1-175.164.7000111.7S109 K110 S115 S116 I117S109-N113 PolarHBondContact O-N 3.44Å; S109-N113 VanDerWaalsContact O-N 3.13Å; K110-N113 PolarHBondContact O-N 2.95Å; N113-S115 VanDerWaalsContact C-N 3.34Å; N113-S115 PolarHBondContact O-N 3.47Å; N113-S116 PolarHBondContact O-N 3.47Å; N113-S116 VanDerWaalsContact O-N 3.16Å; N113-S116 PolarHBondContact O-OG 3.12Å; N113-I117 WeakPolarHBondContact O-CG1 3.46Å; N113-I117 PolarHBondContact O-N 3.48Å
114E97.2Very high96.1Very high12 Ų1252 Ų526%0.05629%0.289CS..Hα-helixtrans-57.9-45.7175.1-173.5-179.8173.200111.6R80 R84 K110 I111 S116 I117 Y118 I121R80-E114 IonicContact CZ-OE1 2.64Å; R80-E114 IonicContact CZ-OE2 2.8Å; R80-E114 VanDerWaalsContact NE-CD 3.33Å; R80-E114 IonicContact NE-OE1 2.78Å; R80-E114 PolarHBondContact NE-OE1 2.89Å; R80-E114 IonicContact NE-OE2 3.74Å; R80-E114 PolarHBondContact NE-OE2 2.56Å; R80-E114 VanDerWaalsContact NE-OE2 3.15Å; R80-E114 IonicContact NH2-OE1 3.99Å; R80-E114 IonicContact NH2-OE2 2.8Å; R80-E114 PolarHBondContact NH2-OE2 2.64Å; R84-E114 IonicContact CZ-OE1 2.83Å; R84-E114 VanDerWaalsContact CZ-OE1 3.26Å; R84-E114 IonicContact NH1-OE1 2.68Å; R84-E114 PolarHBondContact NH1-OE1 3.01Å; R84-E114 IonicContact NH2-OE1 3.26Å; R84-E114 PolarHBondContact NH2-OE1 2.88Å; K110-E114 WeakPolarHBondContact O-CB 3.3Å; K110-E114 PolarHBondContact O-N 3.07Å; I111-E114 HydrophobicContact CD1-CB 4.5Å; I111-E114 WeakPolarHBondContact CD1-OE2 3.36Å; I111-E114 PolarHBondContact O-N 3.35Å; E114-S116 VanDerWaalsContact C-N 3.3Å; E114-S116 PolarHBondContact O-N 2.96Å; E114-I117 PolarHBondContact O-N 2.97Å; E114-I117 VanDerWaalsContact O-N 3.14Å; E114-Y118 HydrophobicContact CG-CD2 3.67Å; E114-Y118 HydrophobicContact CG-CE2 4.02Å; E114-Y118 WeakPolarHBondContact O-CD2 3.39Å; E114-Y118 PolarHBondContact O-N 3.35Å; E114-I121 HydrophobicContact CG-CD1 4.46Å
115S96.5Very high96.1Very high11 Ų1149.5 Ų49.58%0.07728%0.28CS..Hα-helixtrans-59.5-39.4175.7174.50000112.4I45 I111 I112 N113 I117 G119I45-S115 WeakPolarHBondContact CG2-OG 3.33Å; I111-S115 VanDerWaalsContact O-CB 3.28Å; I111-S115 WeakPolarHBondContact O-CB 3.34Å; I111-S115 PolarHBondContact O-N 2.89Å; I112-S115 PolarHBondContact O-N 3.06Å; N113-S115 VanDerWaalsContact C-N 3.34Å; N113-S115 PolarHBondContact O-N 3.47Å; S115-I117 VanDerWaalsContact C-N 3.27Å; S115-I117 PolarHBondContact O-N 3.34Å; S115-G119 VanDerWaalsContact O-CA 3.26Å; S115-G119 WeakPolarHBondContact O-CA 3.29Å; S115-G119 PolarHBondContact O-N 3.12Å
116S95.3Very high96.1Very high88 Ų8846 Ų4662%0.61525%0.253SS*.Hα-helixtrans-67.1-27.4177.6760000113.5I112 N113 E114I112-S116 PolarHBondContact O-N 3.29Å; N113-S116 PolarHBondContact O-N 3.47Å; N113-S116 VanDerWaalsContact O-N 3.16Å; N113-S116 PolarHBondContact O-OG 3.12Å; E114-S116 VanDerWaalsContact C-N 3.3Å; E114-S116 PolarHBondContact O-N 2.96Å
117I95.5Very high96.1Very high104 Ų10446.6 Ų46.653%0.53325%0.248SC..Hα-helixtrans-83.4-47.2-179.8-66165000110.9N113 E114 S115N113-I117 WeakPolarHBondContact O-CG1 3.46Å; N113-I117 PolarHBondContact O-N 3.48Å; E114-I117 PolarHBondContact O-N 2.97Å; E114-I117 VanDerWaalsContact O-N 3.14Å; S115-I117 VanDerWaalsContact C-N 3.27Å; S115-I117 PolarHBondContact O-N 3.34Å
118Y95.5Very high95.9Very high104 Ų10446 Ų4641%0.40825%0.245SC..Hα-helixtrans-102.7-24.3-170.2-62.3-73.6000114.2E114 D120E114-Y118 HydrophobicContact CG-CD2 3.67Å; E114-Y118 HydrophobicContact CG-CE2 4.02Å; E114-Y118 WeakPolarHBondContact O-CD2 3.39Å; E114-Y118 PolarHBondContact O-N 3.35Å; Y118-D120 VanDerWaalsContact CB-OD1 3.27Å; Y118-D120 WeakPolarHBondContact CB-OD1 3.42Å; Y118-D120 PolarHBondContact O-N 3.11Å
119G95.3Very high95.4Very high9 Ų946 Ų469%0.09325%0.248CC..SBendtrans64.615.2-179.500000114.9P47 H48 S115P47-G119 CarbonylContact C-O 3.56Å; P47-G119 VanDerWaalsContact CA-O 3.31Å; P47-G119 WeakPolarHBondContact CA-O 3.17Å; P47-G119 WeakPolarHBondContact CB-O 3.46Å; H48-G119 PolarHBondContact N-O 3.17Å; S115-G119 VanDerWaalsContact O-CA 3.26Å; S115-G119 WeakPolarHBondContact O-CA 3.29Å; S115-G119 PolarHBondContact O-N 3.12Å
120D96.4Very high94.7Very high12 Ų1245 Ų456%0.06423%0.232CC..  trans-115.414.6-170.165.43.2000113.8I49 R84 V95 V96 F97 Y118I49-D120 HydrophobicContact CG2-CB 4.38Å; R84-D120 IonicContact CZ-OD1 3.3Å; R84-D120 IonicContact CZ-OD2 3.33Å; R84-D120 IonicContact NE-OD1 3.87Å; R84-D120 IonicContact NE-OD2 2.71Å; R84-D120 PolarHBondContact NE-OD2 3.5Å; R84-D120 IonicContact NH2-OD1 2.74Å; R84-D120 PolarHBondContact NH2-OD1 2.88Å; R84-D120 IonicContact NH2-OD2 3.15Å; R84-D120 PolarHBondContact NH2-OD2 2.99Å; V95-D120 WeakPolarHBondContact O-CB 3.16Å; V96-D120 CarbonylContact C-O 3.47Å; V96-D120 VanDerWaalsContact CA-O 3.32Å; V96-D120 WeakPolarHBondContact CA-O 3.37Å; F97-D120 HydrophobicContact CD2-CB 4.5Å; F97-D120 WeakPolarHBondContact CE2-OD2 3.29Å; F97-D120 PolarHBondContact N-O 3.46Å; Y118-D120 VanDerWaalsContact CB-OD1 3.27Å; Y118-D120 WeakPolarHBondContact CB-OD1 3.42Å; Y118-D120 PolarHBondContact O-N 3.11Å
121I97.7Very high93.8Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-97.3132.8-179.7-57.6-55.6000110.6I45 P47 F97 V99 I111 E114 Q123I45-I121 HydrophobicContact CD1-CG2 4.48Å; I45-I121 HydrophobicContact CG2-CB 4.29Å; I45-I121 HydrophobicContact CG2-CG2 4.32Å; I45-I121 WeakPolarHBondContact CG2-O 3.4Å; P47-I121 WeakPolarHBondContact CD-O 3.48Å; F97-I121 HydrophobicContact CB-CD1 3.95Å; F97-I121 HydrophobicContact CD2-CD1 4.34Å; V99-I121 HydrophobicContact CG2-CG2 3.79Å; I111-I121 HydrophobicContact CD1-CD1 3.97Å; I111-I121 HydrophobicContact CD1-CG1 4.14Å; I111-I121 HydrophobicContact CD1-CG2 4.06Å; I111-I121 HydrophobicContact CG1-CG2 3.9Å; E114-I121 HydrophobicContact CG-CD1 4.46Å; I121-Q123 HydrophobicContact CG2-CB 4.42Å
122L96.9Very high93.3Very high3 Ų349.9 Ų49.92%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-109.9111.8164.3175.866.4000108.4L43 I46 V96 F97 A98 V99 I140 W143L43-L122 HydrophobicContact CD1-CD1 4.04Å; L43-L122 HydrophobicContact CD2-CD1 4Å; I46-L122 HydrophobicContact CD1-CD1 4.22Å; V96-L122 HydrophobicContact CG1-CB 3.72Å; F97-L122 PolarHBondContact O-N 3.35Å; A98-L122 CarbonylContact C-O 3.53Å; A98-L122 VanDerWaalsContact CA-O 3.3Å; A98-L122 WeakPolarHBondContact CA-O 3.48Å; A98-L122 HydrophobicContact CB-CD2 4.35Å; V99-L122 PolarHBondContact N-O 3.42Å; L122-I140 HydrophobicContact CD2-CG1 4.22Å; L122-W143 HydrophobicContact CD1-CB 3.99Å; L122-W143 HydrophobicContact CD1-CD2 4.48Å; L122-W143 HydrophobicContact CD1-CG 3.75Å; L122-W143 HydrophobicContact CD2-CB 3.76Å; L122-W143 HydrophobicContact CD2-CD2 4.03Å; L122-W143 HydrophobicContact CD2-CE3 4.3Å; L122-W143 HydrophobicContact CD2-CG 3.79Å; L122-W143 HydrophobicContact CG-CG 4.42Å
123Q97.2Very high92.7Very high7 Ų746.6 Ų46.63%0.03324%0.239CC..EExtended strand (participates in β ladder)trans-113.1126.8179.7-173.4177.340.200111.8L43 T44 I45 V99 G100 I121L43-Q123 CarbonylContact C-O 3.46Å; T44-Q123 PolarHBondContact N-O 2.77Å; T44-Q123 VanDerWaalsContact OG1-CG 3.32Å; T44-Q123 WeakPolarHBondContact OG1-CG 3.47Å; T44-Q123 PolarHBondContact OG1-O 2.99Å; T44-Q123 VanDerWaalsContact OG1-O 3.06Å; T44-Q123 PolarHBondContact OG1-OE1 3.02Å; I45-Q123 HydrophobicContact CB-CB 3.7Å; I45-Q123 HydrophobicContact CD1-CB 3.95Å; I45-Q123 VanDerWaalsContact CD1-OE1 3.23Å; I45-Q123 HydrophobicContact CG1-CB 3.83Å; I45-Q123 PolarHBondContact N-O 2.89Å; I45-Q123 PolarHBondContact O-N 3.25Å; V99-Q123 HydrophobicContact CG2-CB 3.89Å; V99-Q123 HydrophobicContact CG2-CG 4Å; V99-Q123 WeakPolarHBondContact O-CA 2.98Å; G100-Q123 PolarHBondContact O-NE2 2.8Å; I121-Q123 HydrophobicContact CG2-CB 4.42Å
124A95.3Very high91.8Very high2 Ų243 Ų432%0.01722%0.221CC..EExtended strand (participates in β ladder)trans-101.9152.417400000112.8V41 N42 L43 V99 F126 S139V41-A124 HydrophobicContact CG1-CB 4.08Å; N42-A124 WeakPolarHBondContact O-CA 3.2Å; L43-A124 HydrophobicContact CD2-CB 4.02Å; V99-A124 PolarHBondContact O-N 2.75Å; A124-F126 VanDerWaalsContact C-N 3.29Å; A124-F126 HydrophobicContact CB-CD1 3.64Å; A124-F126 HydrophobicContact CB-CE1 3.27Å; A124-F126 HydrophobicContact CB-CZ 4.17Å; A124-F126 PolarHBondContact O-N 2.83Å; A124-S139 VanDerWaalsContact CB-OG 3.22Å; A124-S139 WeakPolarHBondContact CB-OG 3.4Å
125D94.8Very high91.2Very high74 Ų7444.4 Ų44.440%0.39623%0.228SC..EExtended strand (participates in β ladder)trans-84.159.2-175.5-162.48.5000113.3N42 T44 K101N42-D125 HydrophobicContact CB-CB 3.86Å; N42-D125 WeakPolarHBondContact O-CB 3.5Å; N42-D125 PolarHBondContact O-N 2.82Å; T44-D125 HydrophobicContact CG2-CB 3.9Å; K101-D125 VanDerWaalsContact CD-OD1 3.28Å; K101-D125 WeakPolarHBondContact CD-OD1 3.29Å; K101-D125 WeakPolarHBondContact CE-OD1 3.39Å; K101-D125 VanDerWaalsContact NZ-CG 3.35Å; K101-D125 IonicContact NZ-OD1 3.84Å; K101-D125 PolarHBondContact NZ-OD1 2.9Å; K101-D125 IonicContact NZ-OD2 3.43Å
126F93.4Very high90.8Very high19 Ų1944.1 Ų44.18%0.08323%0.226CC..EExtended strand (participates in β ladder)trans-144157.4170.863.8-99.1000110.1V41 G100 K101 A124 D128 N132 L135 K136V41-F126 HydrophobicContact CG1-CD1 4.02Å; V41-F126 HydrophobicContact CG1-CE1 4.48Å; G100-F126 CarbonylContact C-O 3.58Å; K101-F126 PolarHBondContact N-O 3.33Å; A124-F126 VanDerWaalsContact C-N 3.29Å; A124-F126 HydrophobicContact CB-CD1 3.64Å; A124-F126 HydrophobicContact CB-CE1 3.27Å; A124-F126 HydrophobicContact CB-CZ 4.17Å; A124-F126 PolarHBondContact O-N 2.83Å; F126-D128 PolarHBondContact O-N 3.28Å; F126-N132 HydrophobicContact CD2-CB 3.68Å; F126-N132 HydrophobicContact CE2-CB 3.91Å; F126-L135 HydrophobicContact CB-CD1 4.06Å; F126-L135 HydrophobicContact CD1-CB 3.8Å; F126-L135 HydrophobicContact CD1-CD1 4.46Å; F126-L135 HydrophobicContact CD2-CB 4.39Å; F126-L135 HydrophobicContact CE1-CB 3.86Å; F126-L135 HydrophobicContact CE2-CB 4.49Å; F126-L135 HydrophobicContact CG-CB 4.1Å; F126-L135 HydrophobicContact CG-CD1 4.12Å; F126-L135 HydrophobicContact CZ-CB 4.26Å; F126-K136 HydrophobicContact CE1-CB 4.4Å; F126-K136 HydrophobicContact CE2-CB 4.33Å; F126-K136 VanDerWaalsContact CZ-CA 3.45Å; F126-K136 HydrophobicContact CZ-CB 3.57Å; F126-K136 HydrophobicContact CZ-CG 4.12Å
127I95.4Very high90.3Very high67 Ų6739.9 Ų39.934%0.34420%0.196SC..EExtended strand (participates in β ladder)trans-67.8120.5177.1-59.9-56.8000110.4K101 L103 S129 N132K101-I127 HydrophobicContact CB-CD1 4.43Å; K101-I127 CarbonylContact O-C 3.3Å; K101-I127 WeakPolarHBondContact O-CA 3.27Å; L103-I127 HydrophobicContact CD2-CD1 3.66Å; L103-I127 HydrophobicContact CD2-CG1 4.01Å; L103-I127 HydrophobicContact CG-CD1 4.1Å; L103-I127 HydrophobicContact CG-CG1 4.46Å; L103-I127 HydrophobicContact CG-CG2 4.12Å; I127-S129 PolarHBondContact O-N 2.72Å; I127-N132 PolarHBondContact O-ND2 2.93Å
128D91.7Very high89.7Confident18 Ų1836.5 Ų36.510%0.09618%0.179CC..  trans-65.1105.8179.7-156.5-22000110.1I74 G100 K101 F126 K136I74-D128 HydrophobicContact CG2-CB 4.31Å; I74-D128 PolarHBondContact N-OD2 3.31Å; G100-D128 PolarHBondContact N-OD2 3.46Å; K101-D128 PolarHBondContact O-N 2.86Å; F126-D128 PolarHBondContact O-N 3.28Å; D128-K136 WeakPolarHBondContact OD1-CE 3.5Å; D128-K136 IonicContact OD1-NZ 3.02Å; D128-K136 PolarHBondContact OD1-NZ 3.01Å; D128-K136 IonicContact OD2-NZ 3.37Å; D128-K136 PolarHBondContact OD2-NZ 3.43Å
129S86.8Confident89.3Confident33 Ų3331.7 Ų31.723%0.23116%0.161CC..  trans-148.5159.5179.175.70000109.2I127 F131 N132 L133I127-S129 PolarHBondContact O-N 2.72Å; S129-F131 PolarHBondContact O-N 2.84Å; S129-N132 CarbonylContact O-C 3.48Å; S129-N132 PolarHBondContact O-N 2.65Å; S129-N132 PolarHBondContact OG-N 3.01Å; S129-N132 PolarHBondContact OG-ND2 3.33Å; S129-L133 PolarHBondContact O-N 2.92Å
130Y80.6Confident89Confident58 Ų5831.3 Ų31.323%0.22716%0.156CC..G310 helixtrans-57.4-39.3176.7178.5-95.7000112.4N132 L133 K197 W198Y130-N132 PolarHBondContact O-N 2.68Å; Y130-L133 HydrophobicContact CD2-CD1 3.65Å; Y130-L133 HydrophobicContact CE2-CD1 4.15Å; Y130-L133 HydrophobicContact CG-CD1 4.24Å; Y130-L133 WeakPolarHBondContact O-CB 3.19Å; Y130-L133 VanDerWaalsContact O-CG 3.23Å; Y130-L133 WeakPolarHBondContact O-CG 3.19Å; Y130-L133 PolarHBondContact O-N 3.06Å; Y130-L133 VanDerWaalsContact O-N 3.16Å; Y130-K197 WeakPolarHBondContact CE1-O 3.22Å; Y130-K197 PolarHBondContact OH-O 3.3Å; Y130-W198 HydrophobicContact CE1-CE3 4.28Å; Y130-W198 HydrophobicContact CE1-CZ3 4.11Å; Y130-W198 HydrophobicContact CE2-CE3 4.27Å; Y130-W198 AromaticContact CE2-CH2 3.38Å; Y130-W198 HydrophobicContact CE2-CH2 3.38Å; Y130-W198 HydrophobicContact CE2-CZ2 4.25Å; Y130-W198 AromaticContact CE2-CZ3 3.43Å; Y130-W198 HydrophobicContact CE2-CZ3 3.43Å; Y130-W198 VanDerWaalsContact CE2-CZ3 3.43Å; Y130-W198 AromaticContact CZ-CE3 3.53Å; Y130-W198 AromaticContact CZ-CH2 3.51Å; Y130-W198 AromaticContact CZ-CZ3 3.13Å; Y130-W198 WeakPolarHBondContact OH-CH2 3.45Å; Y130-W198 WeakPolarHBondContact OH-CZ2 3.27Å; Y130-W198 WeakPolarHBondContact OH-CZ3 3.34Å
131F78.9Confident88.3Confident182 Ų18231.7 Ų31.780%0.79816%0.158SC*.G310 helixtrans-67.7-17.2177.5-62-70.1000113.6S129S129-F131 PolarHBondContact O-N 2.84Å
132N86.1Confident87.7Confident46 Ų4633.9 Ų33.925%0.24617%0.169CC..G310 helixtrans-102.512.8177-68.6-28.2000112.8F126 I127 S129 Y130 T134 L135 K136F126-N132 HydrophobicContact CD2-CB 3.68Å; F126-N132 HydrophobicContact CE2-CB 3.91Å; I127-N132 PolarHBondContact O-ND2 2.93Å; S129-N132 CarbonylContact O-C 3.48Å; S129-N132 PolarHBondContact O-N 2.65Å; S129-N132 PolarHBondContact OG-N 3.01Å; S129-N132 PolarHBondContact OG-ND2 3.33Å; Y130-N132 PolarHBondContact O-N 2.68Å; N132-T134 PolarHBondContact O-N 2.71Å; N132-L135 HydrophobicContact CB-CD1 4.24Å; N132-L135 WeakPolarHBondContact O-CB 3.15Å; N132-L135 PolarHBondContact O-N 3.27Å; N132-K136 PolarHBondContact O-N 2.96Å
133L83Confident87.3Confident32 Ų3233.7 Ų33.717%0.16817%0.168CC..Hα-helixtrans-57.7-35.3174.6-77.1174.6000111.9S129 Y130 L135 K136 S137 D229S129-L133 PolarHBondContact O-N 2.92Å; Y130-L133 HydrophobicContact CD2-CD1 3.65Å; Y130-L133 HydrophobicContact CE2-CD1 4.15Å; Y130-L133 HydrophobicContact CG-CD1 4.24Å; Y130-L133 WeakPolarHBondContact O-CB 3.19Å; Y130-L133 VanDerWaalsContact O-CG 3.23Å; Y130-L133 WeakPolarHBondContact O-CG 3.19Å; Y130-L133 PolarHBondContact O-N 3.06Å; Y130-L133 VanDerWaalsContact O-N 3.16Å; L133-L135 PolarHBondContact O-N 3.01Å; L133-K136 WeakPolarHBondContact O-CA 3.5Å; L133-K136 VanDerWaalsContact O-CB 3.32Å; L133-K136 WeakPolarHBondContact O-CB 3.38Å; L133-K136 PolarHBondContact O-N 3.33Å; L133-K136 VanDerWaalsContact O-N 3.15Å; L133-S137 PolarHBondContact O-N 2.77Å; L133-S137 PolarHBondContact O-OG 3.05Å; L133-D229 WeakPolarHBondContact CB-OD2 3.15Å
134T78.1Confident86.7Confident22 Ų2233.9 Ų33.914%0.13517%0.169CC..Hα-helixtrans-61.6-42.8174.4-47.70000112.2F37 N132 K136 S137 L138 D229 L233F37-T134 HydrophobicContact CD1-CG2 4.41Å; F37-T134 HydrophobicContact CE1-CG2 3.33Å; F37-T134 HydrophobicContact CZ-CG2 3.55Å; N132-T134 PolarHBondContact O-N 2.71Å; T134-K136 VanDerWaalsContact C-N 3.31Å; T134-K136 PolarHBondContact O-N 2.96Å; T134-S137 PolarHBondContact O-N 3.31Å; T134-L138 WeakPolarHBondContact O-CG 3.19Å; T134-L138 PolarHBondContact O-N 3.46Å; T134-D229 PolarHBondContact N-OD2 3.47Å; T134-D229 VanDerWaalsContact N-OD2 3.11Å; T134-D229 PolarHBondContact OG1-OD2 2.89Å; T134-L233 HydrophobicContact CG2-CD1 3.38Å; T134-L233 HydrophobicContact CG2-CG 4.01Å
135L84.4Confident86.1Confident41 Ų4137.1 Ų37.122%0.21519%0.186CC..Hα-helixtrans-64.5-36.2173.9-65177.4000111.7P38 F126 N132 L133 L138 S139P38-L135 HydrophobicContact CG-CD2 3.81Å; F126-L135 HydrophobicContact CB-CD1 4.06Å; F126-L135 HydrophobicContact CD1-CB 3.8Å; F126-L135 HydrophobicContact CD1-CD1 4.46Å; F126-L135 HydrophobicContact CD2-CB 4.39Å; F126-L135 HydrophobicContact CE1-CB 3.86Å; F126-L135 HydrophobicContact CE2-CB 4.49Å; F126-L135 HydrophobicContact CG-CB 4.1Å; F126-L135 HydrophobicContact CG-CD1 4.12Å; F126-L135 HydrophobicContact CZ-CB 4.26Å; N132-L135 HydrophobicContact CB-CD1 4.24Å; N132-L135 WeakPolarHBondContact O-CB 3.15Å; N132-L135 PolarHBondContact O-N 3.27Å; L133-L135 PolarHBondContact O-N 3.01Å; L135-L138 HydrophobicContact CD2-CD1 4.43Å; L135-L138 PolarHBondContact O-N 2.86Å; L135-S139 WeakPolarHBondContact O-CB 3.25Å; L135-S139 PolarHBondContact O-N 3.15Å; L135-S139 PolarHBondContact O-OG 3.17Å
136K89.2Confident85.6Confident5 Ų538.6 Ų38.62%0.02219%0.19CC..Hα-helixtrans-62.1-47.1174-165.9171.5-71.3-178.70111.4K71 T72 A98 F126 D128 N132 L133 T134 L138 S139 I140K71-K136 HydrophobicContact CB-CD 4.13Å; K71-K136 HydrophobicContact CD-CD 4.46Å; K71-K136 HydrophobicContact CG-CD 3.99Å; K71-K136 HydrophobicContact CG-CG 4.3Å; T72-K136 PolarHBondContact O-NZ 2.86Å; A98-K136 HydrophobicContact CB-CG 4.45Å; F126-K136 HydrophobicContact CE1-CB 4.4Å; F126-K136 HydrophobicContact CE2-CB 4.33Å; F126-K136 VanDerWaalsContact CZ-CA 3.45Å; F126-K136 HydrophobicContact CZ-CB 3.57Å; F126-K136 HydrophobicContact CZ-CG 4.12Å; D128-K136 WeakPolarHBondContact OD1-CE 3.5Å; D128-K136 IonicContact OD1-NZ 3.02Å; D128-K136 PolarHBondContact OD1-NZ 3.01Å; D128-K136 IonicContact OD2-NZ 3.37Å; D128-K136 PolarHBondContact OD2-NZ 3.43Å; N132-K136 PolarHBondContact O-N 2.96Å; L133-K136 WeakPolarHBondContact O-CA 3.5Å; L133-K136 VanDerWaalsContact O-CB 3.32Å; L133-K136 WeakPolarHBondContact O-CB 3.38Å; L133-K136 PolarHBondContact O-N 3.33Å; L133-K136 VanDerWaalsContact O-N 3.15Å; T134-K136 VanDerWaalsContact C-N 3.31Å; T134-K136 PolarHBondContact O-N 2.96Å; K136-L138 VanDerWaalsContact C-N 3.34Å; K136-L138 PolarHBondContact O-N 3.09Å; K136-S139 WeakPolarHBondContact O-CB 3.48Å; K136-S139 PolarHBondContact O-N 2.58Å; K136-I140 HydrophobicContact CG-CD1 4.36Å; K136-I140 WeakPolarHBondContact O-CG1 3.36Å; K136-I140 PolarHBondContact O-N 3.42Å
137S84.3Confident85.2Confident0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-62.3-40.4176.5-67.80000112L133 T134 S139 I140 L141 V228L133-S137 PolarHBondContact O-N 2.77Å; L133-S137 PolarHBondContact O-OG 3.05Å; T134-S137 PolarHBondContact O-N 3.31Å; S137-S139 VanDerWaalsContact C-N 3.33Å; S137-S139 PolarHBondContact O-N 2.93Å; S137-I140 PolarHBondContact O-N 2.89Å; S137-L141 WeakPolarHBondContact O-CB 3.29Å; S137-L141 WeakPolarHBondContact O-CG 3.43Å; S137-L141 PolarHBondContact O-N 2.84Å; S137-V228 PolarHBondContact OG-O 2.95Å
138L82.4Confident84.4Confident33 Ų3337.5 Ų37.517%0.17319%0.188CC..Hα-helixtrans-62.2-39.9172.8-71.7175.1000112.5F37 V41 T134 L135 K136 L141 Q142 L233F37-L138 HydrophobicContact CB-CD1 4.36Å; F37-L138 HydrophobicContact CD1-CD1 3.61Å; F37-L138 HydrophobicContact CE1-CD1 4.23Å; F37-L138 HydrophobicContact CG-CD1 4.22Å; V41-L138 HydrophobicContact CG2-CB 4.16Å; T134-L138 WeakPolarHBondContact O-CG 3.19Å; T134-L138 PolarHBondContact O-N 3.46Å; L135-L138 HydrophobicContact CD2-CD1 4.43Å; L135-L138 PolarHBondContact O-N 2.86Å; K136-L138 VanDerWaalsContact C-N 3.34Å; K136-L138 PolarHBondContact O-N 3.09Å; L138-L141 PolarHBondContact O-N 2.86Å; L138-Q142 WeakPolarHBondContact O-CB 3.46Å; L138-Q142 PolarHBondContact O-N 3.14Å; L138-L233 HydrophobicContact CD2-CD1 4.13Å; L138-L233 HydrophobicContact CG-CD1 4.28Å
139S88.2Confident83.8Confident3 Ų341.3 Ų41.32%0.02122%0.222CC..Hα-helixtrans-65.5-42.2178.2-55.50000111.9V41 A124 L135 K136 S137 Q142 W143V41-S139 WeakPolarHBondContact CB-OG 3.28Å; V41-S139 VanDerWaalsContact CG1-OG 3.29Å; V41-S139 WeakPolarHBondContact CG1-OG 3.49Å; A124-S139 VanDerWaalsContact CB-OG 3.22Å; A124-S139 WeakPolarHBondContact CB-OG 3.4Å; L135-S139 WeakPolarHBondContact O-CB 3.25Å; L135-S139 PolarHBondContact O-N 3.15Å; L135-S139 PolarHBondContact O-OG 3.17Å; K136-S139 WeakPolarHBondContact O-CB 3.48Å; K136-S139 PolarHBondContact O-N 2.58Å; S137-S139 VanDerWaalsContact C-N 3.33Å; S137-S139 PolarHBondContact O-N 2.93Å; S139-Q142 PolarHBondContact O-N 3.14Å; S139-W143 WeakPolarHBondContact O-CB 3.4Å; S139-W143 PolarHBondContact O-N 2.95Å
140I88.6Confident83.6Confident0 Ų044 Ų440%023%0.23CC..Hα-helixtrans-61.6-48173.6-68.6166.2000109.8V69 K71 A98 L122 K136 S137 Q142 W143 M144V69-I140 HydrophobicContact CB-CG2 4.3Å; V69-I140 HydrophobicContact CG1-CD1 4.06Å; V69-I140 HydrophobicContact CG1-CG1 3.95Å; V69-I140 HydrophobicContact CG1-CG2 3.82Å; K71-I140 HydrophobicContact CD-CD1 4.08Å; K71-I140 HydrophobicContact CG-CD1 3.49Å; K71-I140 VanDerWaalsContact CG-CD1 3.49Å; A98-I140 HydrophobicContact CB-CD1 3.59Å; A98-I140 HydrophobicContact CB-CG1 3.55Å; L122-I140 HydrophobicContact CD2-CG1 4.22Å; K136-I140 HydrophobicContact CG-CD1 4.36Å; K136-I140 WeakPolarHBondContact O-CG1 3.36Å; K136-I140 PolarHBondContact O-N 3.42Å; S137-I140 PolarHBondContact O-N 2.89Å; I140-Q142 PolarHBondContact O-N 3.38Å; I140-W143 PolarHBondContact O-N 2.73Å; I140-M144 HydrophobicContact CG2-CE 3.17Å; I140-M144 HydrophobicContact CG2-CG 4.11Å; I140-M144 HydrophobicContact CG2-SD 3.84Å; I140-M144 WeakPolarHBondContact O-CB 3.33Å; I140-M144 WeakPolarHBondContact O-CG 3.21Å; I140-M144 PolarHBondContact O-N 3.35Å
141L81.6Confident83.6Confident20 Ų2041.2 Ų41.211%0.10522%0.22CC..Hα-helixtrans-59-45.4178.7-82.3176.5000112.7S137 L138 W143 M144 D145S137-L141 WeakPolarHBondContact O-CB 3.29Å; S137-L141 WeakPolarHBondContact O-CG 3.43Å; S137-L141 PolarHBondContact O-N 2.84Å; L138-L141 PolarHBondContact O-N 2.86Å; L141-W143 VanDerWaalsContact C-N 3.34Å; L141-M144 HydrophobicContact CD2-SD 4.46Å; L141-M144 PolarHBondContact O-N 2.8Å; L141-D145 WeakPolarHBondContact O-CB 3.16Å; L141-D145 PolarHBondContact O-N 3.4Å
142Q84.4Confident83.6Confident46 Ų4635.7 Ų35.722%0.21520%0.198CC..Hα-helixtrans-59.6-47.3176.1-177.3-176.4-42.600110.8V41 L138 S139 I140 M144 D145 E146V41-Q142 PolarHBondContact O-NE2 3.25Å; V41-Q142 PolarHBondContact O-OE1 3.27Å; V41-Q142 VanDerWaalsContact O-OE1 3.11Å; L138-Q142 WeakPolarHBondContact O-CB 3.46Å; L138-Q142 PolarHBondContact O-N 3.14Å; S139-Q142 PolarHBondContact O-N 3.14Å; I140-Q142 PolarHBondContact O-N 3.38Å; Q142-M144 PolarHBondContact O-N 3.45Å; Q142-D145 WeakPolarHBondContact O-CB 3.35Å; Q142-D145 PolarHBondContact O-N 3.22Å; Q142-E146 WeakPolarHBondContact CG-OE1 3.14Å; Q142-E146 PolarHBondContact NE2-OE1 3.11Å; Q142-E146 VanDerWaalsContact NE2-OE1 3.15Å; Q142-E146 WeakPolarHBondContact O-CG 3.15Å; Q142-E146 PolarHBondContact O-N 2.78Å
143W89Confident83.3Confident0 Ų033.9 Ų33.90%019%0.188CC..Hα-helixtrans-63-40.3177.7175.379.9000112.6L43 P47 V50 V67 V69 V96 L122 S139 I140 L141 D145 E146 H147 F154L43-W143 HydrophobicContact CD1-CB 4.09Å; P47-W143 HydrophobicContact CG-CZ2 3.45Å; P47-W143 VanDerWaalsContact CG-CZ2 3.45Å; V50-W143 HydrophobicContact CG1-CZ2 4.29Å; V50-W143 HydrophobicContact CG2-CH2 4.46Å; V50-W143 HydrophobicContact CG2-CZ2 3.56Å; V67-W143 HydrophobicContact CG1-CH2 4.01Å; V69-W143 HydrophobicContact CG2-CE3 4.35Å; V69-W143 HydrophobicContact CG2-CH2 4.38Å; V69-W143 HydrophobicContact CG2-CZ3 3.6Å; V96-W143 HydrophobicContact CB-CH2 4.39Å; V96-W143 HydrophobicContact CG1-CH2 4.49Å; V96-W143 HydrophobicContact CG2-CH2 3.82Å; V96-W143 HydrophobicContact CG2-CZ2 4.08Å; L122-W143 HydrophobicContact CD1-CB 3.99Å; L122-W143 HydrophobicContact CD1-CD2 4.48Å; L122-W143 HydrophobicContact CD1-CG 3.75Å; L122-W143 HydrophobicContact CD2-CB 3.76Å; L122-W143 HydrophobicContact CD2-CD2 4.03Å; L122-W143 HydrophobicContact CD2-CE3 4.3Å; L122-W143 HydrophobicContact CD2-CG 3.79Å; L122-W143 HydrophobicContact CG-CG 4.42Å; S139-W143 WeakPolarHBondContact O-CB 3.4Å; S139-W143 PolarHBondContact O-N 2.95Å; I140-W143 PolarHBondContact O-N 2.73Å; L141-W143 VanDerWaalsContact C-N 3.34Å; W143-D145 VanDerWaalsContact C-N 3.33Å; W143-D145 PolarHBondContact O-N 3.3Å; W143-E146 PolarHBondContact O-N 3.34Å; W143-H147 AromaticContact CD1-CE1 3.42Å; W143-H147 VanDerWaalsContact CD1-CE1 3.42Å; W143-H147 AromaticContact CD1-ND1 3.52Å; W143-H147 AromaticContact CE2-ND1 3.81Å; W143-H147 AromaticContact NE1-CE1 3.21Å; W143-H147 PolarHBondContact NE1-CE1 2.63Å; W143-H147 AromaticContact NE1-ND1 3.39Å; W143-H147 PolarHBondContact NE1-ND1 2.69Å; W143-H147 AromaticContact NE1-NE2 3.83Å; W143-H147 PolarHBondContact O-N 2.72Å; W143-H147 VanDerWaalsContact O-N 3.17Å; W143-H147 PolarHBondContact O-ND1 3.02Å; W143-F154 HydrophobicContact CE3-CE1 4.36Å; W143-F154 HydrophobicContact CH2-CE1 4.12Å; W143-F154 AromaticContact CZ3-CD1 3.95Å; W143-F154 HydrophobicContact CZ3-CD1 3.95Å; W143-F154 AromaticContact CZ3-CE1 3.64Å; W143-F154 HydrophobicContact CZ3-CE1 3.64Å
144M85.3Confident83.4Confident11 Ų1132.8 Ų32.85%0.05418%0.182CC..Hα-helixtrans-62.1-40.6175.3-70.6176.6177.200111.6V69 I140 L141 Q142 H147 S148 F154 Q156 F220V69-M144 HydrophobicContact CB-CE 4.13Å; V69-M144 HydrophobicContact CG2-CE 3.85Å; I140-M144 HydrophobicContact CG2-CE 3.17Å; I140-M144 HydrophobicContact CG2-CG 4.11Å; I140-M144 HydrophobicContact CG2-SD 3.84Å; I140-M144 WeakPolarHBondContact O-CB 3.33Å; I140-M144 WeakPolarHBondContact O-CG 3.21Å; I140-M144 PolarHBondContact O-N 3.35Å; L141-M144 HydrophobicContact CD2-SD 4.46Å; L141-M144 PolarHBondContact O-N 2.8Å; Q142-M144 PolarHBondContact O-N 3.45Å; M144-H147 CarbonylContact O-C 3.53Å; M144-H147 PolarHBondContact O-N 3.16Å; M144-S148 PolarHBondContact O-N 3.48Å; M144-F154 HydrophobicContact CB-CD1 4.22Å; M144-F154 HydrophobicContact CB-CD2 3.91Å; M144-F154 HydrophobicContact CB-CE1 4.1Å; M144-F154 HydrophobicContact CB-CE2 3.8Å; M144-F154 HydrophobicContact CB-CG 4.11Å; M144-F154 HydrophobicContact CB-CZ 3.89Å; M144-F154 HydrophobicContact CE-CB 3.49Å; M144-F154 VanDerWaalsContact CE-CB 3.49Å; M144-F154 HydrophobicContact CE-CD1 4.31Å; M144-F154 HydrophobicContact CE-CG 4.08Å; M144-F154 HydrophobicContact CG-CB 4.06Å; M144-F154 HydrophobicContact CG-CD1 3.55Å; M144-F154 HydrophobicContact CG-CD2 3.9Å; M144-F154 HydrophobicContact CG-CE1 3.83Å; M144-F154 HydrophobicContact CG-CE2 4.17Å; M144-F154 HydrophobicContact CG-CG 3.56Å; M144-F154 HydrophobicContact CG-CZ 4.13Å; M144-F154 WeakPolarHBondContact O-CE2 3.32Å; M144-F154 WeakPolarHBondContact O-CZ 3.5Å; M144-F154 HydrophobicContact SD-CB 3.64Å; M144-F154 HydrophobicContact SD-CD1 4.3Å; M144-F154 HydrophobicContact SD-CD2 4.21Å; M144-F154 HydrophobicContact SD-CG 3.81Å; M144-Q156 HydrophobicContact CE-CB 4.46Å; M144-F220 HydrophobicContact CE-CD2 4.21Å; M144-F220 HydrophobicContact CE-CE2 4.49Å; M144-F220 HydrophobicContact SD-CD2 4.28Å
145D81.1Confident83.7Confident69 Ų6931.8 Ų31.837%0.36918%0.176SC..Hα-helixtrans-61.2-49.3177.1-171.844.8000111.4L141 Q142 W143 H147 S148 Y225L141-D145 WeakPolarHBondContact O-CB 3.16Å; L141-D145 PolarHBondContact O-N 3.4Å; Q142-D145 WeakPolarHBondContact O-CB 3.35Å; Q142-D145 PolarHBondContact O-N 3.22Å; W143-D145 VanDerWaalsContact C-N 3.33Å; W143-D145 PolarHBondContact O-N 3.3Å; D145-H147 PolarHBondContact O-N 2.99Å; D145-S148 WeakPolarHBondContact O-CB 3.2Å; D145-S148 PolarHBondContact O-N 3.32Å; D145-S148 PolarHBondContact O-OG 3.4Å; D145-Y225 HydrophobicContact CB-CE1 3.84Å; D145-Y225 WeakPolarHBondContact OD1-CE1 3.09Å; D145-Y225 VanDerWaalsContact OD1-CZ 3.24Å; D145-Y225 PolarHBondContact OD1-OH 3.33Å
146E84.5Confident83.8Confident105 Ų10529.8 Ų29.849%0.49117%0.166SC..Hα-helixtrans-59.9-26.9177.9-69.9169.7-170.700112.8Q142 W143Q142-E146 WeakPolarHBondContact CG-OE1 3.14Å; Q142-E146 PolarHBondContact NE2-OE1 3.11Å; Q142-E146 VanDerWaalsContact NE2-OE1 3.15Å; Q142-E146 WeakPolarHBondContact O-CG 3.15Å; Q142-E146 PolarHBondContact O-N 2.78Å; W143-E146 PolarHBondContact O-N 3.34Å
147H85.2Confident83.6Confident28 Ų2829.6 Ų29.613%0.1317%0.165CC..THydrogen-bonded Turntrans-108.78.4-178.4-63.979.3000114.1V50 W143 M144 D145 A149 Q150 V151 F154V50-H147 HydrophobicContact CG1-CB 3.95Å; W143-H147 AromaticContact CD1-CE1 3.42Å; W143-H147 VanDerWaalsContact CD1-CE1 3.42Å; W143-H147 AromaticContact CD1-ND1 3.52Å; W143-H147 AromaticContact CE2-ND1 3.81Å; W143-H147 AromaticContact NE1-CE1 3.21Å; W143-H147 PolarHBondContact NE1-CE1 2.63Å; W143-H147 AromaticContact NE1-ND1 3.39Å; W143-H147 PolarHBondContact NE1-ND1 2.69Å; W143-H147 AromaticContact NE1-NE2 3.83Å; W143-H147 PolarHBondContact O-N 2.72Å; W143-H147 VanDerWaalsContact O-N 3.17Å; W143-H147 PolarHBondContact O-ND1 3.02Å; M144-H147 CarbonylContact O-C 3.53Å; M144-H147 PolarHBondContact O-N 3.16Å; D145-H147 PolarHBondContact O-N 2.99Å; H147-A149 PolarHBondContact O-N 3.37Å; H147-A149 VanDerWaalsContact O-N 3.11Å; H147-Q150 PolarHBondContact O-N 3.14Å; H147-V151 PolarHBondContact O-N 2.93Å; H147-F154 HydrophobicContact CB-CZ 4.33Å
148S78.4Confident83.7Confident36 Ų3632 Ų3225%0.25218%0.178SC..THydrogen-bonded Turntrans-60.2-25.4-175.660.80000113.5M144 D145 Q150 V151 H222M144-S148 PolarHBondContact O-N 3.48Å; D145-S148 WeakPolarHBondContact O-CB 3.2Å; D145-S148 PolarHBondContact O-N 3.32Å; D145-S148 PolarHBondContact O-OG 3.4Å; S148-Q150 VanDerWaalsContact C-N 3.28Å; S148-Q150 PolarHBondContact O-N 2.86Å; S148-V151 VanDerWaalsContact O-O 3.08Å; S148-H222 PolarHBondContact O-CE1 2.89Å; S148-H222 PolarHBondContact O-ND1 2.95Å
149A80.7Confident84Confident97 Ų9731 Ų3180%0.80217%0.173SC*.THydrogen-bonded Turntrans-73.1-16176.300000114.2H147H147-A149 PolarHBondContact O-N 3.37Å; H147-A149 VanDerWaalsContact O-N 3.11Å
150Q82Confident83.8Confident89 Ų8933.2 Ų33.242%0.41619%0.185SC..THydrogen-bonded Turntrans-104.5-18.3-175.4-60.917712.100112.9V50 K65 H147 S148V50-Q150 PolarHBondContact O-OE1 3.11Å; K65-Q150 WeakPolarHBondContact CD-O 3.3Å; H147-Q150 PolarHBondContact O-N 3.14Å; S148-Q150 VanDerWaalsContact C-N 3.28Å; S148-Q150 PolarHBondContact O-N 2.86Å
151V80.8Confident83.4Confident1 Ų133.5 Ų33.51%0.00619%0.187CC..  trans-133.9124.6-168-177.70000108.6V50 V67 H147 S148 F153 F154V50-V151 HydrophobicContact CG1-CG2 3.91Å; V67-V151 HydrophobicContact CB-CG1 4.27Å; V67-V151 HydrophobicContact CG2-CB 4.49Å; V67-V151 HydrophobicContact CG2-CG1 3.91Å; V67-V151 HydrophobicContact CG2-CG2 3.66Å; H147-V151 PolarHBondContact O-N 2.93Å; S148-V151 VanDerWaalsContact O-O 3.08Å; V151-F153 WeakPolarHBondContact CG1-O 3.11Å; V151-F154 HydrophobicContact CB-CE1 4.06Å; V151-F154 HydrophobicContact CB-CE2 4.1Å; V151-F154 HydrophobicContact CB-CZ 3.69Å; V151-F154 HydrophobicContact CG1-CD1 4.16Å; V151-F154 HydrophobicContact CG1-CD2 4.36Å; V151-F154 HydrophobicContact CG1-CE1 3.92Å; V151-F154 HydrophobicContact CG1-CE2 4.11Å; V151-F154 HydrophobicContact CG1-CG 4.4Å; V151-F154 HydrophobicContact CG1-CZ 3.89Å; V151-F154 HydrophobicContact CG2-CE1 4.2Å; V151-F154 HydrophobicContact CG2-CZ 4.14Å
152D78.2Confident83.3Confident65 Ų6534.5 Ų34.535%0.34819%0.192SC..SBendtrans-75.4-33.1177.4-55.4-57.8000111P64 K65 H221 H222P64-D152 WeakPolarHBondContact CA-OD2 3.47Å; P64-D152 HydrophobicContact CB-CB 4.39Å; K65-D152 PolarHBondContact N-OD2 2.97Å; K65-D152 WeakPolarHBondContact O-CA 3.38Å; K65-D152 WeakPolarHBondContact O-CB 3.22Å; K65-D152 PolarHBondContact O-N 3.23Å; D152-H221 PolarHBondContact O-CD2 3.02Å; D152-H222 PolarHBondContact O-N 3.27Å
153F80.3Confident83Confident8 Ų832.6 Ų32.64%0.03518%0.183CC..EExtended strand (participates in β ladder)trans-140.8144.5-177.1-53-91.7000115P64 K65 F66 V67 V151 M172 Y177 F220 H221P64-F153 HydrophobicContact CB-CD2 3.73Å; P64-F153 HydrophobicContact CB-CE2 3.33Å; P64-F153 HydrophobicContact CB-CZ 4.44Å; P64-F153 HydrophobicContact CG-CE2 4.27Å; K65-F153 PolarHBondContact O-N 2.83Å; F66-F153 CarbonylContact C-O 3.54Å; F66-F153 WeakPolarHBondContact CA-O 3.31Å; F66-F153 HydrophobicContact CB-CB 3.73Å; F66-F153 WeakPolarHBondContact CB-O 3.41Å; V67-F153 PolarHBondContact N-O 2.96Å; V151-F153 WeakPolarHBondContact CG1-O 3.11Å; F153-M172 HydrophobicContact CB-CE 3.18Å; F153-M172 HydrophobicContact CD1-CE 3.76Å; F153-M172 HydrophobicContact CD2-CE 3.55Å; F153-M172 HydrophobicContact CE2-CE 4.48Å; F153-M172 HydrophobicContact CG-CE 3.18Å; F153-Y177 HydrophobicContact CD1-CD1 4.41Å; F153-Y177 HydrophobicContact CD1-CD2 4.3Å; F153-Y177 HydrophobicContact CD1-CE2 4.39Å; F153-Y177 HydrophobicContact CD1-CG 4.26Å; F153-Y177 AromaticContact CE1-CD1 3.58Å; F153-Y177 HydrophobicContact CE1-CD1 3.58Å; F153-Y177 AromaticContact CE1-CD2 3.22Å; F153-Y177 HydrophobicContact CE1-CD2 3.22Å; F153-Y177 HydrophobicContact CE1-CE1 4.05Å; F153-Y177 AromaticContact CE1-CE2 3.69Å; F153-Y177 HydrophobicContact CE1-CE2 3.69Å; F153-Y177 AromaticContact CE1-CG 3.11Å; F153-Y177 HydrophobicContact CE1-CG 3.11Å; F153-Y177 AromaticContact CE2-CD2 3.87Å; F153-Y177 HydrophobicContact CE2-CD2 3.87Å; F153-Y177 HydrophobicContact CE2-CE2 4.16Å; F153-Y177 VanDerWaalsContact CZ-CB 3.49Å; F153-Y177 HydrophobicContact CZ-CD1 4.23Å; F153-Y177 AromaticContact CZ-CD2 2.99Å; F153-Y177 HydrophobicContact CZ-CD2 2.99Å; F153-Y177 AromaticContact CZ-CE2 3.61Å; F153-Y177 HydrophobicContact CZ-CE2 3.61Å; F153-Y177 AromaticContact CZ-CG 3.32Å; F153-Y177 HydrophobicContact CZ-CG 3.32Å; F153-F220 CarbonylContact C-O 3.58Å; F153-F220 WeakPolarHBondContact CA-O 3.21Å; F153-F220 WeakPolarHBondContact CB-O 3.26Å; F153-F220 VanDerWaalsContact CD1-O 3.27Å; F153-F220 WeakPolarHBondContact CD1-O 3.24Å; F153-H221 HydrophobicContact CD1-CB 3.77Å; F153-H221 AromaticContact CD1-CD2 3.81Å; F153-H221 HydrophobicContact CE1-CB 3.55Å; F153-H221 AromaticContact CE1-CD2 3.09Å; F153-H221 WeakPolarHBondContact CE1-CD2 3.41Å; F153-H221 AromaticContact CE1-CG 3.52Å; F153-H221 AromaticContact CZ-CD2 3.23Å; F153-H221 WeakPolarHBondContact CZ-CD2 3.26Å; F153-H221 AromaticContact CZ-NE2 3.93Å
154F84.1Confident82.8Confident10 Ų1034.1 Ų34.14%0.04419%0.193CC..EExtended strand (participates in β ladder)trans-115.1140.5168.2-60.3-90.1000110.4V67 V69 W143 M144 H147 V151 F219 F220V67-F154 HydrophobicContact CB-CD1 4.12Å; V67-F154 HydrophobicContact CB-CE1 4.39Å; V67-F154 CarbonylContact O-C 3.5Å; V67-F154 WeakPolarHBondContact O-CA 3.42Å; V69-F154 HydrophobicContact CG2-CD1 4.43Å; W143-F154 HydrophobicContact CE3-CE1 4.36Å; W143-F154 HydrophobicContact CH2-CE1 4.12Å; W143-F154 AromaticContact CZ3-CD1 3.95Å; W143-F154 HydrophobicContact CZ3-CD1 3.95Å; W143-F154 AromaticContact CZ3-CE1 3.64Å; W143-F154 HydrophobicContact CZ3-CE1 3.64Å; M144-F154 HydrophobicContact CB-CD1 4.22Å; M144-F154 HydrophobicContact CB-CD2 3.91Å; M144-F154 HydrophobicContact CB-CE1 4.1Å; M144-F154 HydrophobicContact CB-CE2 3.8Å; M144-F154 HydrophobicContact CB-CG 4.11Å; M144-F154 HydrophobicContact CB-CZ 3.89Å; M144-F154 HydrophobicContact CE-CB 3.49Å; M144-F154 VanDerWaalsContact CE-CB 3.49Å; M144-F154 HydrophobicContact CE-CD1 4.31Å; M144-F154 HydrophobicContact CE-CG 4.08Å; M144-F154 HydrophobicContact CG-CB 4.06Å; M144-F154 HydrophobicContact CG-CD1 3.55Å; M144-F154 HydrophobicContact CG-CD2 3.9Å; M144-F154 HydrophobicContact CG-CE1 3.83Å; M144-F154 HydrophobicContact CG-CE2 4.17Å; M144-F154 HydrophobicContact CG-CG 3.56Å; M144-F154 HydrophobicContact CG-CZ 4.13Å; M144-F154 WeakPolarHBondContact O-CE2 3.32Å; M144-F154 WeakPolarHBondContact O-CZ 3.5Å; M144-F154 HydrophobicContact SD-CB 3.64Å; M144-F154 HydrophobicContact SD-CD1 4.3Å; M144-F154 HydrophobicContact SD-CD2 4.21Å; M144-F154 HydrophobicContact SD-CG 3.81Å; H147-F154 HydrophobicContact CB-CZ 4.33Å; V151-F154 HydrophobicContact CB-CE1 4.06Å; V151-F154 HydrophobicContact CB-CE2 4.1Å; V151-F154 HydrophobicContact CB-CZ 3.69Å; V151-F154 HydrophobicContact CG1-CD1 4.16Å; V151-F154 HydrophobicContact CG1-CD2 4.36Å; V151-F154 HydrophobicContact CG1-CE1 3.92Å; V151-F154 HydrophobicContact CG1-CE2 4.11Å; V151-F154 HydrophobicContact CG1-CG 4.4Å; V151-F154 HydrophobicContact CG1-CZ 3.89Å; V151-F154 HydrophobicContact CG2-CE1 4.2Å; V151-F154 HydrophobicContact CG2-CZ 4.14Å; F154-F219 CarbonylContact O-C 3.56Å; F154-F220 HydrophobicContact CB-CB 4.23Å; F154-F220 HydrophobicContact CB-CD2 4.22Å; F154-F220 PolarHBondContact N-O 3.42Å; F154-F220 WeakPolarHBondContact O-CB 2.79Å; F154-F220 WeakPolarHBondContact O-CD2 3.44Å; F154-F220 PolarHBondContact O-N 3.16Å
155V85.8Confident82.9Confident0 Ų034.2 Ų34.20%020%0.195CC..EExtended strand (participates in β ladder)trans-119.3112178.9-176.60000107.3F66 V67 V68 V69 M163 L168 F219F66-V155 HydrophobicContact CD2-CG2 4.22Å; V67-V155 PolarHBondContact O-N 3.06Å; V68-V155 CarbonylContact C-O 3.51Å; V68-V155 VanDerWaalsContact CA-O 3.29Å; V68-V155 WeakPolarHBondContact CA-O 3.28Å; V68-V155 HydrophobicContact CG2-CB 4.18Å; V69-V155 PolarHBondContact N-O 3.32Å; V155-M163 HydrophobicContact CG1-SD 4.42Å; V155-L168 HydrophobicContact CG1-CD1 4.4Å; V155-L168 HydrophobicContact CG2-CD1 4.22Å; V155-F219 HydrophobicContact CB-CD1 4.32Å; V155-F219 HydrophobicContact CG1-CD1 3.9Å; V155-F219 HydrophobicContact CG1-CE1 3.84Å; V155-F219 HydrophobicContact CG1-CG 4.39Å; V155-F219 HydrophobicContact CG1-CZ 4.25Å; V155-F219 HydrophobicContact CG2-CD1 3.62Å; V155-F219 HydrophobicContact CG2-CE1 4.05Å; V155-F219 HydrophobicContact CG2-CG 4.46Å
156Q85.6Confident83.1Confident0 Ų039.2 Ų39.20%021%0.213CC..EExtended strand (participates in β ladder)trans-97.7139.1178.1-169.8171.6-54.900111.8V69 M144 V218 F220 S227V69-Q156 VanDerWaalsContact O-CA 3.29Å; V69-Q156 WeakPolarHBondContact O-CA 3.21Å; M144-Q156 HydrophobicContact CE-CB 4.46Å; Q156-V218 PolarHBondContact N-O 2.93Å; Q156-V218 PolarHBondContact O-N 3.12Å; Q156-V218 VanDerWaalsContact O-N 3.14Å; Q156-F220 HydrophobicContact CB-CE2 3.9Å; Q156-S227 PolarHBondContact NE2-OG 3.49Å; Q156-S227 PolarHBondContact OE1-OG 3.48Å
157G85.6Confident83.1Confident0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-149.1-174.4167.500000112.5V69 L70 K71 M161V69-G157 PolarHBondContact O-N 3.03Å; L70-G157 CarbonylContact C-O 3.57Å; L70-G157 WeakPolarHBondContact CA-O 3.36Å; K71-G157 PolarHBondContact N-O 3.03Å; G157-M161 VanDerWaalsContact CA-SD 3.55Å
158D86.9Confident83Confident52 Ų5237.9 Ų37.928%0.27820%0.203SC..EExtended strand (participates in β ladder)trans-105162.7174.8-62.8-44.4000110.5K71 D160 M161K71-D158 WeakPolarHBondContact CE-OD1 3.2Å; K71-D158 IonicContact NZ-OD1 3.75Å; D158-D160 VanDerWaalsContact C-N 3.25Å; D158-D160 WeakPolarHBondContact CB-OD1 3.46Å; D158-D160 PolarHBondContact O-N 3.32Å; D158-M161 HydrophobicContact CB-CG 4.27Å; D158-M161 HydrophobicContact CB-SD 4.05Å; D158-M161 PolarHBondContact N-SD 2.9Å; D158-M161 WeakPolarHBondContact O-CB 3.35Å; D158-M161 PolarHBondContact O-N 2.93Å
159S88.4Confident83.1Confident11 Ų1138 Ų388%0.07720%0.199CC..THydrogen-bonded Turntrans-68.4-19.2-177.5610000114.4K71 E76 Q79 M161K71-S159 PolarHBondContact O-N 3.39Å; E76-S159 WeakPolarHBondContact OE2-CB 3.18Å; E76-S159 PolarHBondContact OE2-OG 3.48Å; Q79-S159 PolarHBondContact NE2-O 2.96Å; S159-M161 VanDerWaalsContact C-N 3.29Å
160D83.7Confident83.2Confident49 Ų4939.4 Ų39.426%0.26219%0.189SC..THydrogen-bonded Turntrans-91.510.4179.963-0.1000113.5D158 H256 S257D158-D160 VanDerWaalsContact C-N 3.25Å; D158-D160 WeakPolarHBondContact CB-OD1 3.46Å; D158-D160 PolarHBondContact O-N 3.32Å; D160-H256 IonicContact OD2-CE1 3.65Å; D160-H256 PolarHBondContact OD2-CE1 3.36Å; D160-H256 IonicContact OD2-ND1 3.96Å; D160-H256 IonicContact OD2-NE2 2.79Å; D160-H256 PolarHBondContact OD2-NE2 3.2Å; D160-S257 WeakPolarHBondContact O-CB 3.5Å; D160-S257 PolarHBondContact O-N 3.23Å
161M79Confident83Confident7 Ų735.9 Ų35.93%0.03417%0.172CC..EExtended strand (participates in β ladder)trans-95.6138.6179.1-63.6173.453.700112.2G157 D158 S159 M163 R217 F254G157-M161 VanDerWaalsContact CA-SD 3.55Å; D158-M161 HydrophobicContact CB-CG 4.27Å; D158-M161 HydrophobicContact CB-SD 4.05Å; D158-M161 PolarHBondContact N-SD 2.9Å; D158-M161 WeakPolarHBondContact O-CB 3.35Å; D158-M161 PolarHBondContact O-N 2.93Å; S159-M161 VanDerWaalsContact C-N 3.29Å; M161-M163 HydrophobicContact CE-CE 4Å; M161-R217 HydrophobicContact CE-CB 3.92Å; M161-R217 HydrophobicContact CE-CG 3.42Å; M161-R217 VanDerWaalsContact CE-CG 3.42Å; M161-R217 HydrophobicContact SD-CG 3.66Å; M161-F254 HydrophobicContact CE-CB 4.09Å; M161-F254 HydrophobicContact CE-CD1 2.99Å; M161-F254 HydrophobicContact CE-CD2 4.48Å; M161-F254 HydrophobicContact CE-CE1 3.31Å; M161-F254 HydrophobicContact CE-CG 3.63Å; M161-F254 HydrophobicContact CE-CZ 4.2Å
162L79.9Confident82.9Confident41 Ų4135.9 Ų35.922%0.21517%0.172CC..EExtended strand (participates in β ladder)trans-99.9126162.8-62174.3000109.3Y255L162-Y255 HydrophobicContact CB-CD2 4.35Å; L162-Y255 PolarHBondContact N-O 2.75Å; L162-Y255 VanDerWaalsContact N-O 3.14Å; L162-Y255 PolarHBondContact O-N 3.17Å
163M78.5Confident82.9Confident6 Ų635.4 Ų35.43%0.0317%0.174CC..  trans-108.2135.4174.2-58-167.1-17000109.8V68 L70 W87 V155 M161 P165 L168 F254V68-M163 HydrophobicContact CG1-CE 3.99Å; V68-M163 HydrophobicContact CG1-SD 4.07Å; L70-M163 HydrophobicContact CD2-CE 3.63Å; W87-M163 HydrophobicContact CD2-CB 4.31Å; W87-M163 HydrophobicContact CE3-CB 3.9Å; W87-M163 HydrophobicContact CH2-CB 4.24Å; W87-M163 HydrophobicContact CH2-CE 4.33Å; W87-M163 HydrophobicContact CH2-CG 3.97Å; W87-M163 HydrophobicContact CH2-SD 3.98Å; W87-M163 HydrophobicContact CZ2-CG 4.36Å; W87-M163 HydrophobicContact CZ3-CB 3.87Å; W87-M163 HydrophobicContact CZ3-CG 4.06Å; W87-M163 HydrophobicContact CZ3-SD 4.07Å; V155-M163 HydrophobicContact CG1-SD 4.42Å; M161-M163 HydrophobicContact CE-CE 4Å; M163-P165 WeakPolarHBondContact O-CD 3.3Å; M163-L168 HydrophobicContact SD-CD2 4.32Å; M163-F254 HydrophobicContact CE-CE1 4.01Å; M163-F254 HydrophobicContact CG-CD1 4.01Å; M163-F254 HydrophobicContact CG-CE1 3.77Å; M163-F254 HydrophobicContact SD-CE1 4Å
164S85.8Confident82.6Confident31 Ų3138.2 Ų38.222%0.21720%0.198CC..  trans-80.7111.6172.2176.20000110.1K166 R167 L168S164-K166 PolarHBondContact O-N 2.87Å; S164-R167 PolarHBondContact O-N 3.22Å; S164-R167 VanDerWaalsContact O-N 3.17Å; S164-L168 WeakPolarHBondContact O-CB 3.23Å; S164-L168 PolarHBondContact O-N 3.44Å
165P85.9Confident81.8Confident13 Ų1342.2 Ų42.28%0.08421%0.213CC..Hα-helixtrans-60.2-45.7-173.9-27.239.4000112.4W87 Q90 L91 M163 R167 L168 E169W87-P165 HydrophobicContact CB-CG 4.15Å; W87-P165 WeakPolarHBondContact O-CG 3.47Å; Q90-P165 HydrophobicContact CB-CB 3.93Å; Q90-P165 HydrophobicContact CB-CG 3.78Å; L91-P165 HydrophobicContact CD2-CB 3.66Å; L91-P165 HydrophobicContact CD2-CG 4.41Å; L91-P165 HydrophobicContact CG-CB 4.01Å; L91-P165 HydrophobicContact CG-CG 4.38Å; M163-P165 WeakPolarHBondContact O-CD 3.3Å; P165-R167 VanDerWaalsContact C-N 3.34Å; P165-R167 PolarHBondContact O-N 3.08Å; P165-L168 WeakPolarHBondContact O-CB 3.39Å; P165-L168 PolarHBondContact O-N 3.1Å; P165-E169 WeakPolarHBondContact O-CG 3.26Å; P165-E169 PolarHBondContact O-N 3.46Å
166K86.2Confident80.9Confident175 Ų17554 Ų5476%0.76126%0.258SS*.Hα-helixtrans-58.3-42177-176.7177.6-179.5177.50113S164 H170S164-K166 PolarHBondContact O-N 2.87Å; K166-H170 VanDerWaalsContact O-CB 3.22Å; K166-H170 WeakPolarHBondContact O-CB 2.84Å; K166-H170 PolarHBondContact O-N 2.85Å
167R84.3Confident79.9Confident103 Ų10355.3 Ų55.339%0.38926%0.263SS..Hα-helixtrans-73-37.6179.7-69.2-174.8179.9131.8-8111.4S164 P165 F171 N253S164-R167 PolarHBondContact O-N 3.22Å; S164-R167 VanDerWaalsContact O-N 3.17Å; P165-R167 VanDerWaalsContact C-N 3.34Å; P165-R167 PolarHBondContact O-N 3.08Å; R167-F171 VanDerWaalsContact O-CB 3.27Å; R167-F171 WeakPolarHBondContact O-CB 3.49Å; R167-F171 PolarHBondContact O-N 2.8Å; R167-N253 VanDerWaalsContact NH1-CG 3.29Å; R167-N253 PolarHBondContact NH1-ND2 2.99Å
168L82.5Confident78.8Confident1 Ų163.7 Ų63.71%0.00530%0.295CS..Hα-helixtrans-60-55.8174.8179.252.1000110.1F66 V68 L91 V155 M163 S164 P165 H170 F171 M172 F219F66-L168 HydrophobicContact CE2-CD1 4.36Å; F66-L168 HydrophobicContact CE2-CD2 3.95Å; F66-L168 HydrophobicContact CE2-CG 3.84Å; F66-L168 HydrophobicContact CZ-CG 4.32Å; V68-L168 HydrophobicContact CG2-CD2 3.83Å; L91-L168 HydrophobicContact CD1-CD2 4.31Å; L91-L168 HydrophobicContact CD2-CB 4.42Å; L91-L168 HydrophobicContact CD2-CD2 3.82Å; L91-L168 HydrophobicContact CD2-CG 4.34Å; V155-L168 HydrophobicContact CG1-CD1 4.4Å; V155-L168 HydrophobicContact CG2-CD1 4.22Å; M163-L168 HydrophobicContact SD-CD2 4.32Å; S164-L168 WeakPolarHBondContact O-CB 3.23Å; S164-L168 PolarHBondContact O-N 3.44Å; P165-L168 WeakPolarHBondContact O-CB 3.39Å; P165-L168 PolarHBondContact O-N 3.1Å; L168-H170 VanDerWaalsContact C-N 3.34Å; L168-H170 PolarHBondContact O-N 3.45Å; L168-F171 WeakPolarHBondContact O-CB 3.46Å; L168-F171 PolarHBondContact O-N 3.42Å; L168-M172 HydrophobicContact CD1-CG 4.18Å; L168-M172 HydrophobicContact CD1-SD 4.25Å; L168-M172 VanDerWaalsContact O-CG 3.29Å; L168-M172 WeakPolarHBondContact O-CG 3.31Å; L168-M172 PolarHBondContact O-N 2.88Å; L168-F219 HydrophobicContact CD1-CD1 4.3Å; L168-F219 HydrophobicContact CD1-CE1 3.36Å; L168-F219 HydrophobicContact CD1-CZ 4.1Å
169E81.1Confident77.7Confident40 Ų4067.3 Ų67.319%0.18731%0.31CS..Hα-helixtrans-60.7-40.1179-70.4-174.9171.300113F66 R92 P165 F171 M172 S173F66-E169 HydrophobicContact CZ-CG 4.08Å; R92-E169 VanDerWaalsContact CB-OE1 3.31Å; R92-E169 WeakPolarHBondContact CB-OE1 3.45Å; R92-E169 WeakPolarHBondContact CG-OE1 2.91Å; R92-E169 PolarHBondContact N-OE1 3.34Å; R92-E169 IonicContact NE-OE2 2.63Å; P165-E169 WeakPolarHBondContact O-CG 3.26Å; P165-E169 PolarHBondContact O-N 3.46Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 3.38Å; E169-M172 PolarHBondContact O-N 2.94Å; E169-S173 WeakPolarHBondContact O-CB 3.45Å; E169-S173 PolarHBondContact O-N 2.99Å; E169-S173 PolarHBondContact O-OG 3.15Å
170H83Confident76.6Confident125 Ų12571.9 Ų71.958%0.57933%0.328SS*.Hα-helixtrans-63.3-40.9174.6-178.468.7000111.9K166 L168 S173 A174K166-H170 VanDerWaalsContact O-CB 3.22Å; K166-H170 WeakPolarHBondContact O-CB 2.84Å; K166-H170 PolarHBondContact O-N 2.85Å; L168-H170 VanDerWaalsContact C-N 3.34Å; L168-H170 PolarHBondContact O-N 3.45Å; H170-S173 WeakPolarHBondContact CA-OG 3.46Å; H170-S173 PolarHBondContact O-N 3.17Å; H170-S173 PolarHBondContact O-OG 2.91Å; H170-A174 WeakPolarHBondContact O-CB 3.13Å; H170-A174 PolarHBondContact O-N 3.37Å
171F78.5Confident75.7Confident15 Ų1570 Ų707%0.06632%0.318CS..Hα-helixtrans-62.2-47176.7178.7-98.3000110.9R167 L168 E169 R175 Y177 Y183 F219 F247R167-F171 VanDerWaalsContact O-CB 3.27Å; R167-F171 WeakPolarHBondContact O-CB 3.49Å; R167-F171 PolarHBondContact O-N 2.8Å; L168-F171 WeakPolarHBondContact O-CB 3.46Å; L168-F171 PolarHBondContact O-N 3.42Å; E169-F171 VanDerWaalsContact C-N 3.33Å; E169-F171 PolarHBondContact O-N 3.38Å; F171-R175 VanDerWaalsContact CE2-NE 3.27Å; F171-Y177 WeakPolarHBondContact CD1-OH 3.07Å; F171-Y177 HydrophobicContact CE1-CE1 4.11Å; F171-Y177 WeakPolarHBondContact CE1-OH 2.88Å; F171-Y177 HydrophobicContact CZ-CE1 4.38Å; F171-Y177 PolarHBondContact O-OH 2.85Å; F171-Y183 HydrophobicContact CZ-CD1 4.28Å; F171-Y183 HydrophobicContact CZ-CG 4.18Å; F171-F219 HydrophobicContact CD1-CD1 4.01Å; F171-F219 AromaticContact CD1-CE1 3.82Å; F171-F219 HydrophobicContact CD1-CE1 3.82Å; F171-F219 HydrophobicContact CD1-CZ 4.45Å; F171-F219 AromaticContact CE1-CD1 3.77Å; F171-F219 HydrophobicContact CE1-CD1 3.77Å; F171-F219 AromaticContact CE1-CE1 3.97Å; F171-F219 HydrophobicContact CE1-CE1 3.97Å; F171-F219 HydrophobicContact CE1-CG 4.11Å; F171-F247 HydrophobicContact CD2-CE2 4.2Å; F171-F247 HydrophobicContact CD2-CZ 4.01Å; F171-F247 HydrophobicContact CE2-CD2 4.16Å; F171-F247 HydrophobicContact CE2-CE1 4.49Å; F171-F247 AromaticContact CE2-CE2 3.59Å; F171-F247 HydrophobicContact CE2-CE2 3.59Å; F171-F247 AromaticContact CE2-CZ 3.72Å; F171-F247 HydrophobicContact CE2-CZ 3.72Å
172M78.5Confident75.2Confident2 Ų269.7 Ų69.71%0.0132%0.317CS..Hα-helixtrans-62.8-42178.5-57.5-43.7-76.100112P64 F66 F153 L168 E169 Y177 F219P64-M172 HydrophobicContact CG-CB 4.34Å; P64-M172 WeakPolarHBondContact CG-O 3.47Å; F66-M172 HydrophobicContact CB-CE 3.73Å; F66-M172 HydrophobicContact CD1-CB 3.95Å; F66-M172 HydrophobicContact CD1-CE 4.33Å; F66-M172 HydrophobicContact CD1-CG 3.7Å; F66-M172 HydrophobicContact CD2-CE 4.49Å; F66-M172 HydrophobicContact CD2-CG 4.07Å; F66-M172 HydrophobicContact CE1-CB 3.89Å; F66-M172 HydrophobicContact CE1-CG 3.7Å; F66-M172 HydrophobicContact CE2-CG 4.04Å; F66-M172 HydrophobicContact CG-CE 3.97Å; F66-M172 HydrophobicContact CG-CG 3.9Å; F66-M172 HydrophobicContact CZ-CB 4.46Å; F66-M172 HydrophobicContact CZ-CG 3.88Å; F153-M172 HydrophobicContact CB-CE 3.18Å; F153-M172 HydrophobicContact CD1-CE 3.76Å; F153-M172 HydrophobicContact CD2-CE 3.55Å; F153-M172 HydrophobicContact CE2-CE 4.48Å; F153-M172 HydrophobicContact CG-CE 3.18Å; L168-M172 HydrophobicContact CD1-CG 4.18Å; L168-M172 HydrophobicContact CD1-SD 4.25Å; L168-M172 VanDerWaalsContact O-CG 3.29Å; L168-M172 WeakPolarHBondContact O-CG 3.31Å; L168-M172 PolarHBondContact O-N 2.88Å; E169-M172 PolarHBondContact O-N 2.94Å; M172-Y177 WeakPolarHBondContact CA-OH 3.35Å; M172-Y177 WeakPolarHBondContact O-CE2 3.05Å; M172-F219 HydrophobicContact SD-CD1 4.05Å; M172-F219 HydrophobicContact SD-CE1 4.31Å
173S77.9Confident74.8Confident54 Ų5468.4 Ų68.438%0.37831%0.309SS..Hα-helixtrans-77.1-27.2-178.252.80000114.5E169 H170 R175E169-S173 WeakPolarHBondContact O-CB 3.45Å; E169-S173 PolarHBondContact O-N 2.99Å; E169-S173 PolarHBondContact O-OG 3.15Å; H170-S173 WeakPolarHBondContact CA-OG 3.46Å; H170-S173 PolarHBondContact O-N 3.17Å; H170-S173 PolarHBondContact O-OG 2.91Å; S173-R175 PolarHBondContact O-N 2.95Å
174A73.5Confident74.5Confident67 Ų6768.1 Ų68.155%0.55431%0.308SS*.THydrogen-bonded Turntrans-81.3-9.1-171.100000115H170H170-A174 WeakPolarHBondContact O-CB 3.13Å; H170-A174 PolarHBondContact O-N 3.37Å
175R68.1Low73.8Confident95 Ų9569.5 Ų69.536%0.35831%0.311SS..  trans-116.3138.3-167.7-71.3-171.9176.3-130.8-0.6113.3F171 S173 Y177F171-R175 VanDerWaalsContact CE2-NE 3.27Å; S173-R175 PolarHBondContact O-N 2.95Å; R175-Y177 HydrophobicContact CB-CD1 4.09Å; R175-Y177 HydrophobicContact CB-CD2 3.79Å; R175-Y177 HydrophobicContact CB-CE1 3.81Å; R175-Y177 HydrophobicContact CB-CE2 3.51Å; R175-Y177 HydrophobicContact CB-CG 4.11Å; R175-Y177 HydrophobicContact CG-CE1 4.32Å; R175-Y177 VanDerWaalsContact O-CD2 3.31Å; R175-Y177 WeakPolarHBondContact O-CD2 3.35Å; R175-Y177 PolarHBondContact O-N 3.02Å
176R66.4Low73Confident247 Ų24769.8 Ų69.893%0.93231%0.311SS*.  trans-86.389159.5-58.8-176.992.4149.85.9107.2
177Y65Low72.3Confident28 Ų2865.5 Ų65.511%0.1129%0.291CS..  trans-69146.9179-63.1-84.6000110.9F153 F171 M172 R175 Y183F153-Y177 HydrophobicContact CD1-CD1 4.41Å; F153-Y177 HydrophobicContact CD1-CD2 4.3Å; F153-Y177 HydrophobicContact CD1-CE2 4.39Å; F153-Y177 HydrophobicContact CD1-CG 4.26Å; F153-Y177 AromaticContact CE1-CD1 3.58Å; F153-Y177 HydrophobicContact CE1-CD1 3.58Å; F153-Y177 AromaticContact CE1-CD2 3.22Å; F153-Y177 HydrophobicContact CE1-CD2 3.22Å; F153-Y177 HydrophobicContact CE1-CE1 4.05Å; F153-Y177 AromaticContact CE1-CE2 3.69Å; F153-Y177 HydrophobicContact CE1-CE2 3.69Å; F153-Y177 AromaticContact CE1-CG 3.11Å; F153-Y177 HydrophobicContact CE1-CG 3.11Å; F153-Y177 AromaticContact CE2-CD2 3.87Å; F153-Y177 HydrophobicContact CE2-CD2 3.87Å; F153-Y177 HydrophobicContact CE2-CE2 4.16Å; F153-Y177 VanDerWaalsContact CZ-CB 3.49Å; F153-Y177 HydrophobicContact CZ-CD1 4.23Å; F153-Y177 AromaticContact CZ-CD2 2.99Å; F153-Y177 HydrophobicContact CZ-CD2 2.99Å; F153-Y177 AromaticContact CZ-CE2 3.61Å; F153-Y177 HydrophobicContact CZ-CE2 3.61Å; F153-Y177 AromaticContact CZ-CG 3.32Å; F153-Y177 HydrophobicContact CZ-CG 3.32Å; F171-Y177 WeakPolarHBondContact CD1-OH 3.07Å; F171-Y177 HydrophobicContact CE1-CE1 4.11Å; F171-Y177 WeakPolarHBondContact CE1-OH 2.88Å; F171-Y177 HydrophobicContact CZ-CE1 4.38Å; F171-Y177 PolarHBondContact O-OH 2.85Å; M172-Y177 WeakPolarHBondContact CA-OH 3.35Å; M172-Y177 WeakPolarHBondContact O-CE2 3.05Å; R175-Y177 HydrophobicContact CB-CD1 4.09Å; R175-Y177 HydrophobicContact CB-CD2 3.79Å; R175-Y177 HydrophobicContact CB-CE1 3.81Å; R175-Y177 HydrophobicContact CB-CE2 3.51Å; R175-Y177 HydrophobicContact CB-CG 4.11Å; R175-Y177 HydrophobicContact CG-CE1 4.32Å; R175-Y177 VanDerWaalsContact O-CD2 3.31Å; R175-Y177 WeakPolarHBondContact O-CD2 3.35Å; R175-Y177 PolarHBondContact O-N 3.02Å; Y177-Y183 HydrophobicContact CD1-CD2 4.46Å; Y177-Y183 AromaticContact CD1-CE2 3.59Å; Y177-Y183 HydrophobicContact CD1-CE2 3.59Å; Y177-Y183 AromaticContact CD1-CZ 3.91Å; Y177-Y183 HydrophobicContact CE1-CD2 4.32Å; Y177-Y183 AromaticContact CE1-CE2 3.81Å; Y177-Y183 HydrophobicContact CE1-CE2 3.81Å
178R61.5Low71.9Confident175 Ų17565.9 Ų65.966%0.6630%0.297SS*.  trans-106.9149.4173.3-50.3-176.5-152.7-164.34.6108.9E181 H221R178-E181 HydrophobicContact CB-CG 4.27Å; R178-E181 PolarHBondContact N-OE2 2.75Å; R178-E181 VanDerWaalsContact N-OE2 3.14Å; R178-E181 IonicContact NE-OE1 3.73Å; R178-H221 PolarHBondContact O-ND1 2.92Å
179E64Low71.4Confident129 Ų12972 Ų7260%0.60332%0.321SS*.THydrogen-bonded Turntrans-46.4140.1167.6-71.2-178-168.700111H221 S223E179-H221 WeakPolarHBondContact CA-ND1 3.37Å; E179-H221 PolarHBondContact N-CE1 3.35Å; E179-H221 PolarHBondContact N-ND1 3.47Å; E179-S223 WeakPolarHBondContact CB-OG 3.45Å; E179-S223 WeakPolarHBondContact CG-OG 3.43Å
180K64.9Low71.1Confident107 Ų10770.6 Ų70.647%0.46532%0.316SS..THydrogen-bonded Turntrans65.839.3173.5-54.1169-174.1-179.20115.7S223K180-S223 WeakPolarHBondContact CE-O 3.34Å; K180-S223 WeakPolarHBondContact CG-O 3.11Å
181E66.1Low71Confident10 Ų1070 Ų705%0.04732%0.316CS..EExtended strand (participates in β ladder)trans-113.3131.3172.2-65.6179.9149.400110.9R178 Y183 K245R178-E181 HydrophobicContact CB-CG 4.27Å; R178-E181 PolarHBondContact N-OE2 2.75Å; R178-E181 VanDerWaalsContact N-OE2 3.14Å; R178-E181 IonicContact NE-OE1 3.73Å; E181-Y183 HydrophobicContact CB-CD2 4.5Å; E181-Y183 HydrophobicContact CB-CE2 3.7Å; E181-Y183 PolarHBondContact OE2-OH 2.83Å; E181-K245 HydrophobicContact CG-CD 4.33Å; E181-K245 VanDerWaalsContact OE1-CE 3.25Å; E181-K245 WeakPolarHBondContact OE1-CE 3.46Å; E181-K245 IonicContact OE1-NZ 3.56Å; E181-K245 PolarHBondContact OE1-NZ 2.84Å
182I68.1Low70.8Confident0 Ų069.4 Ų69.40%031%0.314CS..EExtended strand (participates in β ladder)trans-109.1130.8171-62.7178.6000107.7V218 F220 I226 I242 L244 K245I182-V218 HydrophobicContact CG2-CG1 3.18Å; I182-F220 HydrophobicContact CD1-CE1 4.26Å; I182-F220 HydrophobicContact CG1-CD1 4.24Å; I182-F220 HydrophobicContact CG1-CE1 4.2Å; I182-F220 HydrophobicContact CG2-CE1 4.15Å; I182-I226 HydrophobicContact CD1-CB 4.17Å; I182-I226 HydrophobicContact CD1-CD1 4.4Å; I182-I242 HydrophobicContact CD1-CG2 3.92Å; I182-I242 HydrophobicContact CG1-CG2 4.28Å; I182-L244 HydrophobicContact CB-CD2 4.26Å; I182-L244 HydrophobicContact CD1-CD2 4.14Å; I182-K245 PolarHBondContact O-N 3.31Å
183Y70.7Confident70.4Confident13 Ų1372.3 Ų72.35%0.05133%0.327CS..EExtended strand (participates in β ladder)trans-113.9128175.4-57.6-93.1000110.2F171 Y177 E181 V218 F219F171-Y183 HydrophobicContact CZ-CD1 4.28Å; F171-Y183 HydrophobicContact CZ-CG 4.18Å; Y177-Y183 HydrophobicContact CD1-CD2 4.46Å; Y177-Y183 AromaticContact CD1-CE2 3.59Å; Y177-Y183 HydrophobicContact CD1-CE2 3.59Å; Y177-Y183 AromaticContact CD1-CZ 3.91Å; Y177-Y183 HydrophobicContact CE1-CD2 4.32Å; Y177-Y183 AromaticContact CE1-CE2 3.81Å; Y177-Y183 HydrophobicContact CE1-CE2 3.81Å; E181-Y183 HydrophobicContact CB-CD2 4.5Å; E181-Y183 HydrophobicContact CB-CE2 3.7Å; E181-Y183 PolarHBondContact OE2-OH 2.83Å; Y183-V218 WeakPolarHBondContact O-CA 3.48Å; Y183-F219 PolarHBondContact N-O 2.93Å; Y183-F219 PolarHBondContact O-N 2.95Å
184G72.3Confident69.9Low1 Ų174.8 Ų74.81%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-176.8-174.6177.400000110.9L186 F247G184-L186 PolarHBondContact O-N 2.82Å; G184-F247 PolarHBondContact O-N 3.48Å; G184-F247 VanDerWaalsContact O-N 3.08Å; G184-F247 VanDerWaalsContact O-O 3.12Å
185H71.4Confident69.5Low60 Ų6075.1 Ų75.128%0.27833%0.331SS..EExtended strand (participates in β ladder)trans-78.3102.4172.7-174.8-89.9000110.3Y187 C214 S215 M249H185-Y187 AromaticContact CE1-CE1 3.96Å; H185-Y187 AromaticContact CE1-CE2 3.65Å; H185-Y187 AromaticContact CE1-CZ 3.55Å; H185-Y187 AromaticContact ND1-CD2 3.48Å; H185-Y187 WeakPolarHBondContact ND1-CD2 3.45Å; H185-Y187 AromaticContact ND1-CE2 2.95Å; H185-Y187 WeakPolarHBondContact ND1-CE2 3.43Å; H185-Y187 AromaticContact ND1-CZ 3.34Å; H185-Y187 VanDerWaalsContact ND1-CZ 3.34Å; H185-Y187 WeakPolarHBondContact O-CD2 3.3Å; H185-Y187 PolarHBondContact O-N 3.38Å; H185-C214 VanDerWaalsContact O-CA 3.23Å; H185-C214 WeakPolarHBondContact O-CA 3.37Å; H185-S215 PolarHBondContact O-N 2.98Å; H185-S215 VanDerWaalsContact O-N 3.12Å; H185-M249 HydrophobicContact CB-CE 3.29Å; H185-M249 HydrophobicContact CB-CG 3.84Å; H185-M249 HydrophobicContact CB-SD 3.76Å
186L69.9Low69.6Low19 Ų1975.3 Ų75.310%0.09934%0.339CS..EExtended strand (participates in β ladder)trans-72123179.3-16868.6000110.3G184 E188 E212 Y213 L244 T246G184-L186 PolarHBondContact O-N 2.82Å; L186-E188 HydrophobicContact CD2-CG 3.86Å; L186-E188 HydrophobicContact CG-CG 4.12Å; L186-E212 HydrophobicContact CD1-CB 4.17Å; L186-Y213 CarbonylContact C-O 3.57Å; L186-Y213 WeakPolarHBondContact CA-O 3.42Å; L186-L244 HydrophobicContact CD1-CB 3.97Å; L186-L244 HydrophobicContact CD1-CD1 3.86Å; L186-L244 HydrophobicContact CD1-CG 4.48Å; L186-T246 HydrophobicContact CB-CG2 3.93Å; L186-T246 WeakPolarHBondContact CD2-OG1 3.23Å
187Y71.7Confident69.8Low84 Ų8470.7 Ų70.733%0.32933%0.325SS..EExtended strand (participates in β ladder)trans-95.6112.3163.8-72.7-94.3000107.7H185 E212 Y213H185-Y187 AromaticContact CE1-CE1 3.96Å; H185-Y187 AromaticContact CE1-CE2 3.65Å; H185-Y187 AromaticContact CE1-CZ 3.55Å; H185-Y187 AromaticContact ND1-CD2 3.48Å; H185-Y187 WeakPolarHBondContact ND1-CD2 3.45Å; H185-Y187 AromaticContact ND1-CE2 2.95Å; H185-Y187 WeakPolarHBondContact ND1-CE2 3.43Å; H185-Y187 AromaticContact ND1-CZ 3.34Å; H185-Y187 VanDerWaalsContact ND1-CZ 3.34Å; H185-Y187 WeakPolarHBondContact O-CD2 3.3Å; H185-Y187 PolarHBondContact O-N 3.38Å; Y187-E212 WeakPolarHBondContact O-CA 2.95Å; Y187-Y213 HydrophobicContact CD2-CD2 4.08Å; Y187-Y213 AromaticContact CD2-CE2 3.53Å; Y187-Y213 HydrophobicContact CD2-CE2 3.53Å; Y187-Y213 AromaticContact CD2-CZ 3.99Å; Y187-Y213 HydrophobicContact CE2-CE2 4.29Å; Y187-Y213 HydrophobicContact CG-CD2 4.42Å; Y187-Y213 HydrophobicContact CG-CE1 4.31Å; Y187-Y213 AromaticContact CG-CE2 3.74Å; Y187-Y213 HydrophobicContact CG-CE2 3.74Å; Y187-Y213 AromaticContact CG-CZ 3.68Å; Y187-Y213 PolarHBondContact N-O 2.82Å; Y187-Y213 PolarHBondContact O-N 2.79Å
188E74.8Confident70Confident111 Ų11173.9 Ų73.952%0.51934%0.337SS..SBendtrans-90.8126.8166.3-61.8172.7-143.300106.3L186 E212L186-E188 HydrophobicContact CD2-CG 3.86Å; L186-E188 HydrophobicContact CG-CG 4.12Å; E188-E212 HydrophobicContact CG-CG 4.48Å
189W72Confident70.4Confident131 Ų13169.6 Ų69.650%0.49633%0.33SS..SBendtrans65.540.8175.6-45.595.8000115.9Y23 I191 Y209Y23-W189 AromaticContact CE1-CH2 3.99Å; Y23-W189 HydrophobicContact CE1-CH2 3.99Å; Y23-W189 AromaticContact CE2-CH2 3.74Å; Y23-W189 HydrophobicContact CE2-CH2 3.74Å; Y23-W189 HydrophobicContact CE2-CZ3 4.11Å; Y23-W189 AromaticContact CZ-CH2 3.24Å; Y23-W189 AromaticContact CZ-CZ3 3.8Å; Y23-W189 WeakPolarHBondContact OH-CH2 3.07Å; Y23-W189 WeakPolarHBondContact OH-CZ3 3.22Å; W189-I191 PolarHBondContact O-N 2.8Å; W189-Y209 HydrophobicContact CB-CD1 4.18Å; W189-Y209 HydrophobicContact CE3-CG 4.27Å
190G75.3Confident70.6Confident9 Ų965.4 Ų65.49%0.09331%0.312CS..PPolyproline II helixtrans-58.1123.5173.700000111.1Y209 Y210G190-Y209 CarbonylContact O-C 3.56Å; G190-Y209 WeakPolarHBondContact O-CA 3.48Å; G190-Y210 PolarHBondContact O-N 2.93Å
191I79.4Confident70.8Confident113 Ų11364.7 Ų64.758%0.57931%0.313SS*.BIsolated β-bridgetrans-71134.2179.5-62.2171000108.7W189 H193 Y209W189-I191 PolarHBondContact O-N 2.8Å; I191-H193 PolarHBondContact O-N 2.81Å; I191-Y209 HydrophobicContact CG1-CD1 4.27Å; I191-Y209 HydrophobicContact CG1-CE1 4.03Å
192V74.8Confident71.1Confident2 Ų267.7 Ų67.71%0.01233%0.334CS..PPolyproline II helixtrans-66.2126.4173.9178.60000109.4H194 I200 Y205 Y207 M208 Y210V192-H194 PolarHBondContact O-CD2 2.85Å; V192-H194 VanDerWaalsContact O-CD2 3.22Å; V192-H194 PolarHBondContact O-N 3.38Å; V192-I200 HydrophobicContact CG1-CB 4.07Å; V192-Y205 HydrophobicContact CG1-CD1 4.34Å; V192-Y205 HydrophobicContact CG2-CD1 3.68Å; V192-Y205 HydrophobicContact CG2-CE1 3.47Å; V192-Y205 VanDerWaalsContact CG2-CE1 3.47Å; V192-Y207 WeakPolarHBondContact CG2-O 3.31Å; V192-M208 PolarHBondContact N-O 3.43Å; V192-Y210 HydrophobicContact CB-CE1 4.45Å; V192-Y210 HydrophobicContact CB-CE2 4.32Å; V192-Y210 HydrophobicContact CG1-CE1 4.33Å; V192-Y210 HydrophobicContact CG2-CD1 3.75Å; V192-Y210 HydrophobicContact CG2-CD2 4.08Å; V192-Y210 HydrophobicContact CG2-CE1 3.68Å; V192-Y210 HydrophobicContact CG2-CE2 4.02Å; V192-Y210 HydrophobicContact CG2-CG 3.98Å
193H71.4Confident71.3Confident64 Ų6473.9 Ų73.930%0.29637%0.371SS..PPolyproline II helixtrans-72.6119.4179.8-69.7-98.9000109.3I191 D196 W198 V199 I200I191-H193 PolarHBondContact O-N 2.81Å; H193-D196 IonicContact CE1-OD2 3.71Å; H193-D196 IonicContact ND1-OD2 3.19Å; H193-D196 PolarHBondContact ND1-OD2 3.41Å; H193-W198 HydrophobicContact CB-CB 3.9Å; H193-W198 WeakPolarHBondContact CB-O 3.42Å; H193-V199 WeakPolarHBondContact O-CA 3.08Å; H193-I200 PolarHBondContact O-N 2.83Å
194H65.5Low71.1Confident105 Ų10576.6 Ų76.649%0.48639%0.389SS..SBendtrans-107.4-0.1174.7-64.2-62.6000112.7V192V192-H194 PolarHBondContact O-CD2 2.85Å; V192-H194 VanDerWaalsContact O-CD2 3.22Å; V192-H194 PolarHBondContact O-N 3.38Å
195S65.7Low71Confident74 Ų7477 Ų7752%0.51739%0.391SS..SBendtrans-136.1174.8168.456.70000107.9
196D71.5Confident71Confident100 Ų10078.7 Ų78.754%0.53541%0.407SS..SBendtrans80.2178.2173-10.8-31.5000115.6H193 W198 V199H193-D196 IonicContact CE1-OD2 3.71Å; H193-D196 IonicContact ND1-OD2 3.19Å; H193-D196 PolarHBondContact ND1-OD2 3.41Å; D196-W198 PolarHBondContact O-N 3.12Å; D196-V199 WeakPolarHBondContact O-CB 3.16Å; D196-V199 WeakPolarHBondContact O-CG1 3.27Å; D196-V199 PolarHBondContact O-N 3.03Å; D196-V199 VanDerWaalsContact O-N 3.12Å
197K69Low71.2Confident149 Ų14981.8 Ų81.865%0.64842%0.418SS*.THydrogen-bonded Turntrans-62.7-8.6179.867169.4176.6167.90114.8Y130Y130-K197 WeakPolarHBondContact CE1-O 3.22Å; Y130-K197 PolarHBondContact OH-O 3.3Å
198W69Low71.6Confident95 Ų9583.6 Ų83.636%0.3643%0.431SS..THydrogen-bonded Turntrans-108.410.8-179.7-53.9118000112.5Y130 H193 D196 I200Y130-W198 HydrophobicContact CE1-CE3 4.28Å; Y130-W198 HydrophobicContact CE1-CZ3 4.11Å; Y130-W198 HydrophobicContact CE2-CE3 4.27Å; Y130-W198 AromaticContact CE2-CH2 3.38Å; Y130-W198 HydrophobicContact CE2-CH2 3.38Å; Y130-W198 HydrophobicContact CE2-CZ2 4.25Å; Y130-W198 AromaticContact CE2-CZ3 3.43Å; Y130-W198 HydrophobicContact CE2-CZ3 3.43Å; Y130-W198 VanDerWaalsContact CE2-CZ3 3.43Å; Y130-W198 AromaticContact CZ-CE3 3.53Å; Y130-W198 AromaticContact CZ-CH2 3.51Å; Y130-W198 AromaticContact CZ-CZ3 3.13Å; Y130-W198 WeakPolarHBondContact OH-CH2 3.45Å; Y130-W198 WeakPolarHBondContact OH-CZ2 3.27Å; Y130-W198 WeakPolarHBondContact OH-CZ3 3.34Å; H193-W198 HydrophobicContact CB-CB 3.9Å; H193-W198 WeakPolarHBondContact CB-O 3.42Å; D196-W198 PolarHBondContact O-N 3.12Å; W198-I200 PolarHBondContact O-N 3.15Å
199V70.7Confident71.8Confident85 Ų8583.3 Ų83.352%0.51543%0.426SS..  trans-55.2127.5-175.963.60000111.9H193 D196H193-V199 WeakPolarHBondContact O-CA 3.08Å; D196-V199 WeakPolarHBondContact O-CB 3.16Å; D196-V199 WeakPolarHBondContact O-CG1 3.27Å; D196-V199 PolarHBondContact O-N 3.03Å; D196-V199 VanDerWaalsContact O-N 3.12Å
200I69Low71.7Confident41 Ų4177.9 Ų77.921%0.2141%0.405CS..  trans-107.7134.3173.2-60.6-58.2000109.6V192 H193 W198 P202 Y210V192-I200 HydrophobicContact CG1-CB 4.07Å; H193-I200 PolarHBondContact O-N 2.83Å; W198-I200 PolarHBondContact O-N 3.15Å; I200-P202 WeakPolarHBondContact O-CD 3.34Å; I200-Y210 WeakPolarHBondContact CG1-OH 3.28Å
201N69Low71.4Confident93 Ų9378.8 Ų78.850%0.49741%0.409SS..  trans-64.5123.3173.3-173.4-33.5000109.2T203 T204 Y205N201-T203 PolarHBondContact O-N 2.85Å; N201-T203 VanDerWaalsContact O-N 3.09Å; N201-T203 VanDerWaalsContact OD1-CB 3.26Å; N201-T203 WeakPolarHBondContact OD1-CB 2.81Å; N201-T203 PolarHBondContact OD1-N 3.09Å; N201-T203 PolarHBondContact OD1-OG1 3.31Å; N201-T204 WeakPolarHBondContact O-CA 3.43Å; N201-T204 WeakPolarHBondContact O-CB 3.11Å; N201-T204 PolarHBondContact O-N 2.96Å; N201-Y205 PolarHBondContact O-N 3.12Å; N201-Y205 VanDerWaalsContact O-N 3.12Å
202P72Confident71Confident73 Ų7377.8 Ų77.847%0.47440%0.402SS..THydrogen-bonded Turntrans-56.6-25.4178-25.734.9000113.9I200 T204 Y205 P206I200-P202 WeakPolarHBondContact O-CD 3.34Å; P202-T204 VanDerWaalsContact C-N 3.31Å; P202-Y205 CarbonylContact O-C 3.58Å; P202-Y205 VanDerWaalsContact O-C 3.3Å; P202-P206 VanDerWaalsContact O-CA 3.22Å; P202-P206 WeakPolarHBondContact O-CA 3.41Å
203T71.5Confident70.7Confident129 Ų12978.7 Ų78.779%0.79141%0.406SS*.THydrogen-bonded Turntrans-68.5-30.1173.2-49.80000112.4N201N201-T203 PolarHBondContact O-N 2.85Å; N201-T203 VanDerWaalsContact O-N 3.09Å; N201-T203 VanDerWaalsContact OD1-CB 3.26Å; N201-T203 WeakPolarHBondContact OD1-CB 2.81Å; N201-T203 PolarHBondContact OD1-N 3.09Å; N201-T203 PolarHBondContact OD1-OG1 3.31Å
204T66.5Low70.6Confident70 Ų7075.7 Ų75.743%0.42939%0.392SS..THydrogen-bonded Turntrans-82.8-37.2177.6-53.30000111.8N201 P202N201-T204 WeakPolarHBondContact O-CA 3.43Å; N201-T204 WeakPolarHBondContact O-CB 3.11Å; N201-T204 PolarHBondContact O-N 2.96Å; P202-T204 VanDerWaalsContact C-N 3.31Å
205Y70.1Confident70.6Confident10 Ų1070.9 Ų70.94%0.03937%0.37CS..  trans-140.898.6177.8-169-92.5000109.6V192 N201 P202 Y207 Y209 Y210 P211V192-Y205 HydrophobicContact CG1-CD1 4.34Å; V192-Y205 HydrophobicContact CG2-CD1 3.68Å; V192-Y205 HydrophobicContact CG2-CE1 3.47Å; V192-Y205 VanDerWaalsContact CG2-CE1 3.47Å; N201-Y205 PolarHBondContact O-N 3.12Å; N201-Y205 VanDerWaalsContact O-N 3.12Å; P202-Y205 CarbonylContact O-C 3.58Å; P202-Y205 VanDerWaalsContact O-C 3.3Å; Y205-Y207 VanDerWaalsContact C-N 3.26Å; Y205-Y207 HydrophobicContact CD1-CD2 4.26Å; Y205-Y207 WeakPolarHBondContact CD1-O 3.49Å; Y205-Y207 HydrophobicContact CD2-CD2 4.18Å; Y205-Y207 AromaticContact CE1-CD2 3.92Å; Y205-Y207 HydrophobicContact CE1-CD2 3.92Å; Y205-Y207 HydrophobicContact CE1-CG 4.22Å; Y205-Y207 WeakPolarHBondContact CE1-O 3.46Å; Y205-Y207 AromaticContact CE2-CD2 3.81Å; Y205-Y207 HydrophobicContact CE2-CD2 3.81Å; Y205-Y207 HydrophobicContact CE2-CE2 4.5Å; Y205-Y207 HydrophobicContact CG-CD2 4.39Å; Y205-Y207 AromaticContact CZ-CD2 3.65Å; Y205-Y207 PolarHBondContact O-N 3.31Å; Y205-Y209 WeakPolarHBondContact CE1-O 3.39Å; Y205-Y209 PolarHBondContact OH-O 3.34Å; Y205-Y210 HydrophobicContact CD1-CD1 4.47Å; Y205-Y210 HydrophobicContact CD1-CE1 4.34Å; Y205-Y210 AromaticContact CE1-CD1 3.91Å; Y205-Y210 HydrophobicContact CE1-CD1 3.91Å; Y205-Y210 HydrophobicContact CE1-CE1 4.23Å; Y205-P211 WeakPolarHBondContact OH-CD 3.43Å
206P71.4Confident70.4Confident95 Ų9567.5 Ų67.562%0.61735%0.346SS*.  trans-83.34.9-170.733.2-36.9000114.2P202P202-P206 VanDerWaalsContact O-CA 3.22Å; P202-P206 WeakPolarHBondContact O-CA 3.41Å
207Y75.5Confident70Confident85 Ų8565.5 Ų65.533%0.33333%0.332SS..  trans-95.9149.8-176.9-47.2-81.9000111.3L30 V192 Y205L30-Y207 HydrophobicContact CD2-CD2 4.16Å; L30-Y207 HydrophobicContact CD2-CE1 4.06Å; L30-Y207 HydrophobicContact CD2-CE2 3.52Å; L30-Y207 VanDerWaalsContact CD2-CZ 3.47Å; V192-Y207 WeakPolarHBondContact CG2-O 3.31Å; Y205-Y207 VanDerWaalsContact C-N 3.26Å; Y205-Y207 HydrophobicContact CD1-CD2 4.26Å; Y205-Y207 WeakPolarHBondContact CD1-O 3.49Å; Y205-Y207 HydrophobicContact CD2-CD2 4.18Å; Y205-Y207 AromaticContact CE1-CD2 3.92Å; Y205-Y207 HydrophobicContact CE1-CD2 3.92Å; Y205-Y207 HydrophobicContact CE1-CG 4.22Å; Y205-Y207 WeakPolarHBondContact CE1-O 3.46Å; Y205-Y207 AromaticContact CE2-CD2 3.81Å; Y205-Y207 HydrophobicContact CE2-CD2 3.81Å; Y205-Y207 HydrophobicContact CE2-CE2 4.5Å; Y205-Y207 HydrophobicContact CG-CD2 4.39Å; Y205-Y207 AromaticContact CZ-CD2 3.65Å; Y205-Y207 PolarHBondContact O-N 3.31Å
208M78.9Confident69.6Low121 Ų12158.4 Ų58.460%0.59630%0.301SS*.SBendtrans-77.6-24179.8-177.7171.6-77.800113.3V192V192-M208 PolarHBondContact N-O 3.43Å
209Y78.6Confident69.1Low105 Ų10554.1 Ų54.141%0.41228%0.284SS..BIsolated β-bridgetrans-122.8143.5-178-57.4-79.4000110.4W189 G190 I191 Y205W189-Y209 HydrophobicContact CB-CD1 4.18Å; W189-Y209 HydrophobicContact CE3-CG 4.27Å; G190-Y209 CarbonylContact O-C 3.56Å; G190-Y209 WeakPolarHBondContact O-CA 3.48Å; I191-Y209 HydrophobicContact CG1-CD1 4.27Å; I191-Y209 HydrophobicContact CG1-CE1 4.03Å; Y205-Y209 WeakPolarHBondContact CE1-O 3.39Å; Y205-Y209 PolarHBondContact OH-O 3.34Å
210Y71.2Confident68.6Low18 Ų1850.5 Ų50.57%0.07126%0.262CS..PPolyproline II helixtrans-74.7150.2162.4-62.5-60.7000110.3G190 V192 I200 Y205 Y213 A231G190-Y210 PolarHBondContact O-N 2.93Å; V192-Y210 HydrophobicContact CB-CE1 4.45Å; V192-Y210 HydrophobicContact CB-CE2 4.32Å; V192-Y210 HydrophobicContact CG1-CE1 4.33Å; V192-Y210 HydrophobicContact CG2-CD1 3.75Å; V192-Y210 HydrophobicContact CG2-CD2 4.08Å; V192-Y210 HydrophobicContact CG2-CE1 3.68Å; V192-Y210 HydrophobicContact CG2-CE2 4.02Å; V192-Y210 HydrophobicContact CG2-CG 3.98Å; I200-Y210 WeakPolarHBondContact CG1-OH 3.28Å; Y205-Y210 HydrophobicContact CD1-CD1 4.47Å; Y205-Y210 HydrophobicContact CD1-CE1 4.34Å; Y205-Y210 AromaticContact CE1-CD1 3.91Å; Y205-Y210 HydrophobicContact CE1-CD1 3.91Å; Y205-Y210 HydrophobicContact CE1-CE1 4.23Å; Y210-Y213 HydrophobicContact CD2-CE1 4.32Å; Y210-A231 HydrophobicContact CD1-CB 3.4Å; Y210-A231 HydrophobicContact CD2-CB 3.34Å; Y210-A231 HydrophobicContact CE1-CB 3.55Å; Y210-A231 HydrophobicContact CE2-CB 3.49Å; Y210-A231 VanDerWaalsContact CE2-CB 3.49Å; Y210-A231 HydrophobicContact CG-CB 3.26Å
211P69.5Low68.1Low27 Ų2750 Ų5018%0.17526%0.259CS..PPolyproline II helixtrans-65.8168.7169.4-5.825.2000109.1Y205 Y213 G235Y205-P211 WeakPolarHBondContact OH-CD 3.43Å; P211-Y213 WeakPolarHBondContact O-CD1 3.49Å; P211-Y213 PolarHBondContact O-N 3.19Å; P211-G235 VanDerWaalsContact CB-CA 3.49Å; P211-G235 VanDerWaalsContact CG-C 3.45Å; P211-G235 WeakPolarHBondContact CG-O 3.25Å
212E70.6Confident67.3Low93 Ų9349.2 Ų49.244%0.43525%0.252SS..SBendtrans-52.7132.8177.4-68.1177179.100111.6L186 Y187 E188 L244L186-E212 HydrophobicContact CD1-CB 4.17Å; Y187-E212 WeakPolarHBondContact O-CA 2.95Å; E188-E212 HydrophobicContact CG-CG 4.48Å; E212-L244 HydrophobicContact CB-CD1 3.6Å; E212-L244 VanDerWaalsContact O-CD1 3.31Å; E212-L244 WeakPolarHBondContact O-CD1 3.44Å
213Y68.7Low65.9Low21 Ų2148 Ų488%0.08225%0.245CC..EExtended strand (participates in β ladder)trans-147.2156.5179.969.9-93.6000112.8L186 Y187 Y210 P211 D230 A231 T234L186-Y213 CarbonylContact C-O 3.57Å; L186-Y213 WeakPolarHBondContact CA-O 3.42Å; Y187-Y213 HydrophobicContact CD2-CD2 4.08Å; Y187-Y213 AromaticContact CD2-CE2 3.53Å; Y187-Y213 HydrophobicContact CD2-CE2 3.53Å; Y187-Y213 AromaticContact CD2-CZ 3.99Å; Y187-Y213 HydrophobicContact CE2-CE2 4.29Å; Y187-Y213 HydrophobicContact CG-CD2 4.42Å; Y187-Y213 HydrophobicContact CG-CE1 4.31Å; Y187-Y213 AromaticContact CG-CE2 3.74Å; Y187-Y213 HydrophobicContact CG-CE2 3.74Å; Y187-Y213 AromaticContact CG-CZ 3.68Å; Y187-Y213 PolarHBondContact N-O 2.82Å; Y187-Y213 PolarHBondContact O-N 2.79Å; Y210-Y213 HydrophobicContact CD2-CE1 4.32Å; P211-Y213 WeakPolarHBondContact O-CD1 3.49Å; P211-Y213 PolarHBondContact O-N 3.19Å; Y213-D230 WeakPolarHBondContact CB-O 3.09Å; Y213-D230 HydrophobicContact CD2-CB 4.13Å; Y213-D230 WeakPolarHBondContact CD2-O 3.48Å; Y213-D230 HydrophobicContact CE2-CB 3.8Å; Y213-A231 HydrophobicContact CD1-CB 4.27Å; Y213-A231 HydrophobicContact CE1-CB 4.14Å; Y213-T234 VanDerWaalsContact CB-CB 3.49Å
214C67.7Low64.3Low0 Ų042.3 Ų42.30%021%0.212CC..EExtended strand (participates in β ladder)trans-94.9135.3166.9-66.40000109.6H185 V218 V228H185-C214 VanDerWaalsContact O-CA 3.23Å; H185-C214 WeakPolarHBondContact O-CA 3.37Å; C214-V218 HydrophobicContact CB-CG2 3.85Å; C214-V228 WeakPolarHBondContact O-CG1 3.37Å
215S67.5Low63.1Low5 Ų544.8 Ų44.84%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-56.5155.716655.20000110H185 R217 V218H185-S215 PolarHBondContact O-N 2.98Å; H185-S215 VanDerWaalsContact O-N 3.12Å; S215-R217 CarbonylContact O-C 3.56Å; S215-R217 PolarHBondContact O-N 2.9Å; S215-V218 VanDerWaalsContact O-CG2 3.22Å; S215-V218 WeakPolarHBondContact O-CG2 3.3Å
216G60.3Low61.7Low2 Ų244.5 Ų44.52%0.02121%0.213CC..EExtended strand (participates in β ladder)trans-53.38.5-170.700000118.9D230G216-D230 WeakPolarHBondContact CA-OD1 3.47Å; G216-D230 PolarHBondContact N-OD1 2.91Å
217R62.6Low60.1Low59 Ų5940 Ų4022%0.22318%0.184CC..EExtended strand (participates in β ladder)trans-101.387.2172.3-51.2180-85.8-165.6-12.9108.3M161 S215 M249 F254M161-R217 HydrophobicContact CE-CB 3.92Å; M161-R217 HydrophobicContact CE-CG 3.42Å; M161-R217 VanDerWaalsContact CE-CG 3.42Å; M161-R217 HydrophobicContact SD-CG 3.66Å; S215-R217 CarbonylContact O-C 3.56Å; S215-R217 PolarHBondContact O-N 2.9Å; R217-M249 HydrophobicContact CB-SD 4.19Å; R217-F254 HydrophobicContact CB-CD2 4.3Å; R217-F254 HydrophobicContact CB-CE2 4.2Å; R217-F254 HydrophobicContact CB-CZ 4.45Å
218V60.7Low58.8Low0 Ų035.9 Ų35.90%017%0.168CC..EExtended strand (participates in β ladder)trans-131.9140.1-166.2-168.40000111.5Q156 I182 Y183 C214 S215 F220 V228Q156-V218 PolarHBondContact N-O 2.93Å; Q156-V218 PolarHBondContact O-N 3.12Å; Q156-V218 VanDerWaalsContact O-N 3.14Å; I182-V218 HydrophobicContact CG2-CG1 3.18Å; Y183-V218 WeakPolarHBondContact O-CA 3.48Å; C214-V218 HydrophobicContact CB-CG2 3.85Å; S215-V218 VanDerWaalsContact O-CG2 3.22Å; S215-V218 WeakPolarHBondContact O-CG2 3.3Å; V218-F220 HydrophobicContact CB-CE1 4.22Å; V218-F220 HydrophobicContact CB-CE2 3.84Å; V218-F220 HydrophobicContact CB-CZ 3.43Å; V218-F220 VanDerWaalsContact CB-CZ 3.43Å; V218-F220 HydrophobicContact CG1-CD1 4.29Å; V218-F220 HydrophobicContact CG1-CE1 3.39Å; V218-F220 HydrophobicContact CG1-CE2 3.85Å; V218-F220 HydrophobicContact CG1-CZ 3.12Å; V218-F220 HydrophobicContact CG2-CZ 4.38Å; V218-V228 HydrophobicContact CG2-CB 4.49Å; V218-V228 HydrophobicContact CG2-CG2 4.07Å
219F59.5Low57.6Low4 Ų431.5 Ų31.52%0.01815%0.147CC..EExtended strand (participates in β ladder)trans-108.3139.4170.7-55.5-114000110.1F154 V155 L168 F171 M172 Y183 V252 F254F154-F219 CarbonylContact O-C 3.56Å; V155-F219 HydrophobicContact CB-CD1 4.32Å; V155-F219 HydrophobicContact CG1-CD1 3.9Å; V155-F219 HydrophobicContact CG1-CE1 3.84Å; V155-F219 HydrophobicContact CG1-CG 4.39Å; V155-F219 HydrophobicContact CG1-CZ 4.25Å; V155-F219 HydrophobicContact CG2-CD1 3.62Å; V155-F219 HydrophobicContact CG2-CE1 4.05Å; V155-F219 HydrophobicContact CG2-CG 4.46Å; L168-F219 HydrophobicContact CD1-CD1 4.3Å; L168-F219 HydrophobicContact CD1-CE1 3.36Å; L168-F219 HydrophobicContact CD1-CZ 4.1Å; F171-F219 HydrophobicContact CD1-CD1 4.01Å; F171-F219 AromaticContact CD1-CE1 3.82Å; F171-F219 HydrophobicContact CD1-CE1 3.82Å; F171-F219 HydrophobicContact CD1-CZ 4.45Å; F171-F219 AromaticContact CE1-CD1 3.77Å; F171-F219 HydrophobicContact CE1-CD1 3.77Å; F171-F219 AromaticContact CE1-CE1 3.97Å; F171-F219 HydrophobicContact CE1-CE1 3.97Å; F171-F219 HydrophobicContact CE1-CG 4.11Å; M172-F219 HydrophobicContact SD-CD1 4.05Å; M172-F219 HydrophobicContact SD-CE1 4.31Å; Y183-F219 PolarHBondContact N-O 2.93Å; Y183-F219 PolarHBondContact O-N 2.95Å; F219-V252 HydrophobicContact CZ-CG1 4.29Å; F219-V252 HydrophobicContact CZ-CG2 4.17Å; F219-F254 HydrophobicContact CE2-CE2 4.11Å; F219-F254 AromaticContact CE2-CZ 3.81Å; F219-F254 HydrophobicContact CE2-CZ 3.81Å; F219-F254 HydrophobicContact CZ-CE2 4.49Å; F219-F254 AromaticContact CZ-CZ 3.92Å; F219-F254 HydrophobicContact CZ-CZ 3.92Å
220F60.9Low56.5Low10 Ų1029.2 Ų29.24%0.04414%0.142CC..EExtended strand (participates in β ladder)trans-121.5144.9-176.4-58.9-68.8000111.6M144 F153 F154 Q156 I182 V218 I226 S227M144-F220 HydrophobicContact CE-CD2 4.21Å; M144-F220 HydrophobicContact CE-CE2 4.49Å; M144-F220 HydrophobicContact SD-CD2 4.28Å; F153-F220 CarbonylContact C-O 3.58Å; F153-F220 WeakPolarHBondContact CA-O 3.21Å; F153-F220 WeakPolarHBondContact CB-O 3.26Å; F153-F220 VanDerWaalsContact CD1-O 3.27Å; F153-F220 WeakPolarHBondContact CD1-O 3.24Å; F154-F220 HydrophobicContact CB-CB 4.23Å; F154-F220 HydrophobicContact CB-CD2 4.22Å; F154-F220 PolarHBondContact N-O 3.42Å; F154-F220 WeakPolarHBondContact O-CB 2.79Å; F154-F220 WeakPolarHBondContact O-CD2 3.44Å; F154-F220 PolarHBondContact O-N 3.16Å; Q156-F220 HydrophobicContact CB-CE2 3.9Å; I182-F220 HydrophobicContact CD1-CE1 4.26Å; I182-F220 HydrophobicContact CG1-CD1 4.24Å; I182-F220 HydrophobicContact CG1-CE1 4.2Å; I182-F220 HydrophobicContact CG2-CE1 4.15Å; V218-F220 HydrophobicContact CB-CE1 4.22Å; V218-F220 HydrophobicContact CB-CE2 3.84Å; V218-F220 HydrophobicContact CB-CZ 3.43Å; V218-F220 VanDerWaalsContact CB-CZ 3.43Å; V218-F220 HydrophobicContact CG1-CD1 4.29Å; V218-F220 HydrophobicContact CG1-CE1 3.39Å; V218-F220 HydrophobicContact CG1-CE2 3.85Å; V218-F220 HydrophobicContact CG1-CZ 3.12Å; V218-F220 HydrophobicContact CG2-CZ 4.38Å; F220-I226 VanDerWaalsContact CE1-C 3.46Å; F220-I226 WeakPolarHBondContact CE1-O 3.29Å; F220-I226 WeakPolarHBondContact CZ-O 3.22Å; F220-S227 WeakPolarHBondContact CE2-OG 3.48Å; F220-S227 VanDerWaalsContact CZ-CA 3.4Å; F220-S227 WeakPolarHBondContact CZ-OG 3.21Å
221H58.1Low55.6Low30 Ų3029 Ų2914%0.13914%0.143CC..EExtended strand (participates in β ladder)trans-119144.1169.3177.9-119.7000111.1D152 F153 R178 E179 S223D152-H221 PolarHBondContact O-CD2 3.02Å; F153-H221 HydrophobicContact CD1-CB 3.77Å; F153-H221 AromaticContact CD1-CD2 3.81Å; F153-H221 HydrophobicContact CE1-CB 3.55Å; F153-H221 AromaticContact CE1-CD2 3.09Å; F153-H221 WeakPolarHBondContact CE1-CD2 3.41Å; F153-H221 AromaticContact CE1-CG 3.52Å; F153-H221 AromaticContact CZ-CD2 3.23Å; F153-H221 WeakPolarHBondContact CZ-CD2 3.26Å; F153-H221 AromaticContact CZ-NE2 3.93Å; R178-H221 PolarHBondContact O-ND1 2.92Å; E179-H221 WeakPolarHBondContact CA-ND1 3.37Å; E179-H221 PolarHBondContact N-CE1 3.35Å; E179-H221 PolarHBondContact N-ND1 3.47Å; H221-S223 PolarHBondContact O-N 2.89Å
222H52.1Low54.9Low77 Ų7729.6 Ų29.636%0.35614%0.142SC..THydrogen-bonded Turntrans-37.4120.4173.7-172.478.7000112.5S148 D152S148-H222 PolarHBondContact O-CE1 2.89Å; S148-H222 PolarHBondContact O-ND1 2.95Å; D152-H222 PolarHBondContact O-N 3.27Å
223S41.5Very low54.1Low48 Ų4825.5 Ų25.534%0.33612%0.123SC..THydrogen-bonded Turntrans94.910.9175.1800000121.1E179 K180 H221E179-S223 WeakPolarHBondContact CB-OG 3.45Å; E179-S223 WeakPolarHBondContact CG-OG 3.43Å; K180-S223 WeakPolarHBondContact CE-O 3.34Å; K180-S223 WeakPolarHBondContact CG-O 3.11Å; H221-S223 PolarHBondContact O-N 2.89Å
224G39.5Very low53.2Low8 Ų824.6 Ų24.68%0.08212%0.12CC..  trans-149.8107.7168.400000113.5
225Y40.8Very low52.3Low123 Ų12324.6 Ų24.648%0.48212%0.12SC..  trans-62.7155.8-174.8-53.4-79.7000113.3D145 I242D145-Y225 HydrophobicContact CB-CE1 3.84Å; D145-Y225 WeakPolarHBondContact OD1-CE1 3.09Å; D145-Y225 VanDerWaalsContact OD1-CZ 3.24Å; D145-Y225 PolarHBondContact OD1-OH 3.33Å; Y225-I242 WeakPolarHBondContact O-CD1 3.37Å
226I39.7Very low51.4Low3 Ų326 Ų262%0.01513%0.127CC..  trans149.1100.8130.8-60.8141.5000108.5I182 F220 I237 I242I182-I226 HydrophobicContact CD1-CB 4.17Å; I182-I226 HydrophobicContact CD1-CD1 4.4Å; F220-I226 VanDerWaalsContact CE1-C 3.46Å; F220-I226 WeakPolarHBondContact CE1-O 3.29Å; F220-I226 WeakPolarHBondContact CZ-O 3.22Å; I226-I237 HydrophobicContact CB-CD1 4.49Å; I226-I237 HydrophobicContact CD1-CB 3.35Å; I226-I237 HydrophobicContact CD1-CD1 4.48Å; I226-I237 HydrophobicContact CD1-CG1 4.49Å; I226-I237 HydrophobicContact CD1-CG2 3.25Å; I226-I237 HydrophobicContact CG1-CB 3.56Å; I226-I237 HydrophobicContact CG1-CD1 3.69Å; I226-I237 HydrophobicContact CG1-CG1 4.22Å; I226-I237 HydrophobicContact CG1-CG2 3.41Å; I226-I237 VanDerWaalsContact CG1-CG2 3.41Å; I226-I237 HydrophobicContact CG2-CD1 3.95Å; I226-I242 HydrophobicContact CD1-CB 4.42Å; I226-I242 HydrophobicContact CD1-CD1 3.44Å; I226-I242 VanDerWaalsContact CD1-CD1 3.44Å; I226-I242 HydrophobicContact CG1-CD1 4.12Å
227S38Very low50.9Low0 Ų028.1 Ų28.10%014%0.137CC..  trans-112.7151.5167.7-158.90000111.4Q156 F220Q156-S227 PolarHBondContact NE2-OG 3.49Å; Q156-S227 PolarHBondContact OE1-OG 3.48Å; F220-S227 WeakPolarHBondContact CE2-OG 3.48Å; F220-S227 VanDerWaalsContact CZ-CA 3.4Å; F220-S227 WeakPolarHBondContact CZ-OG 3.21Å
228V48.3Very low50.3Low0 Ų026.7 Ų26.70%014%0.138CC..  -120141.3-122.21670000111.9K71 S137 C214 V218 D230 T234K71-V228 PolarHBondContact NZ-O 2.86Å; S137-V228 PolarHBondContact OG-O 2.95Å; C214-V228 WeakPolarHBondContact O-CG1 3.37Å; V218-V228 HydrophobicContact CG2-CB 4.49Å; V218-V228 HydrophobicContact CG2-CG2 4.07Å; V228-D230 HydrophobicContact CG1-CB 4.48Å; V228-D230 VanDerWaalsContact CG1-N 3.3Å; V228-D230 WeakPolarHBondContact CG1-O 3.33Å; V228-T234 WeakPolarHBondContact CG1-OG1 3.39Å; V228-T234 HydrophobicContact CG2-CG2 3.87Å; V228-T234 WeakPolarHBondContact CG2-OG1 3.02Å
229D52.9Low49.7Very low29 Ų2930.3 Ų30.316%0.15516%0.157CC..SBendtrans-103.2120.5140.8-140.6-21.3000105.5L133 T134 A231 Y232L133-D229 WeakPolarHBondContact CB-OD2 3.15Å; T134-D229 PolarHBondContact N-OD2 3.47Å; T134-D229 VanDerWaalsContact N-OD2 3.11Å; T134-D229 PolarHBondContact OG1-OD2 2.89Å; D229-A231 VanDerWaalsContact C-N 3.3Å; D229-A231 PolarHBondContact O-N 3.41Å; D229-Y232 PolarHBondContact O-N 3.44Å
230D57.2Low49.1Very low57 Ų5733 Ų3331%0.30518%0.179SC..THydrogen-bonded Turntrans-34.2-56.7-148.6-77.2-2.9000114.2Y213 G216 V228 T234Y213-D230 WeakPolarHBondContact CB-O 3.09Å; Y213-D230 HydrophobicContact CD2-CB 4.13Å; Y213-D230 WeakPolarHBondContact CD2-O 3.48Å; Y213-D230 HydrophobicContact CE2-CB 3.8Å; G216-D230 WeakPolarHBondContact CA-OD1 3.47Å; G216-D230 PolarHBondContact N-OD1 2.91Å; V228-D230 HydrophobicContact CG1-CB 4.48Å; V228-D230 VanDerWaalsContact CG1-N 3.3Å; V228-D230 WeakPolarHBondContact CG1-O 3.33Å; D230-T234 PolarHBondContact O-OG1 3.19Å
231A51.6Low48.6Very low12 Ų1237.8 Ų37.810%0.09921%0.214CC..THydrogen-bonded Turntrans-97.5-29.2-17500000116Y210 Y213 D229 G235Y210-A231 HydrophobicContact CD1-CB 3.4Å; Y210-A231 HydrophobicContact CD2-CB 3.34Å; Y210-A231 HydrophobicContact CE1-CB 3.55Å; Y210-A231 HydrophobicContact CE2-CB 3.49Å; Y210-A231 VanDerWaalsContact CE2-CB 3.49Å; Y210-A231 HydrophobicContact CG-CB 3.26Å; Y213-A231 HydrophobicContact CD1-CB 4.27Å; Y213-A231 HydrophobicContact CE1-CB 4.14Å; D229-A231 VanDerWaalsContact C-N 3.3Å; D229-A231 PolarHBondContact O-N 3.41Å; A231-G235 PolarHBondContact O-N 3.31Å
232Y55.2Low48.3Very low41 Ų4137.7 Ų37.716%0.16122%0.215CC..Hα-helixtrans-79.2-54.5-158.1-163.3-95.7000112.6I35 F37 D229 I236I35-Y232 HydrophobicContact CB-CE1 4.31Å; I35-Y232 WeakPolarHBondContact CB-OH 3.35Å; I35-Y232 HydrophobicContact CD1-CE1 3.79Å; I35-Y232 HydrophobicContact CD1-CE2 3.99Å; I35-Y232 WeakPolarHBondContact CD1-OH 3.34Å; I35-Y232 HydrophobicContact CG1-CE1 4.34Å; I35-Y232 WeakPolarHBondContact CG1-OH 3.32Å; I35-Y232 HydrophobicContact CG2-CE1 4.21Å; I35-Y232 VanDerWaalsContact CG2-OH 3.26Å; I35-Y232 WeakPolarHBondContact CG2-OH 3.47Å; F37-Y232 AromaticContact CE2-CD1 4Å; F37-Y232 HydrophobicContact CE2-CD1 4Å; F37-Y232 AromaticContact CE2-CE1 3.49Å; F37-Y232 HydrophobicContact CE2-CE1 3.49Å; F37-Y232 VanDerWaalsContact CE2-CE1 3.49Å; F37-Y232 AromaticContact CZ-CD1 3.72Å; F37-Y232 HydrophobicContact CZ-CD1 3.72Å; F37-Y232 AromaticContact CZ-CE1 3.33Å; F37-Y232 HydrophobicContact CZ-CE1 3.33Å; D229-Y232 PolarHBondContact O-N 3.44Å; Y232-I236 HydrophobicContact CD1-CD1 4.09Å; Y232-I236 HydrophobicContact CE1-CD1 4.1Å; Y232-I236 WeakPolarHBondContact O-CB 3.22Å; Y232-I236 VanDerWaalsContact O-CD1 3.31Å; Y232-I236 WeakPolarHBondContact O-CD1 3.33Å; Y232-I236 WeakPolarHBondContact O-CG1 3.45Å; Y232-I236 PolarHBondContact O-N 2.95Å
233L53.5Low48.2Very low7 Ų743.7 Ų43.74%0.03723%0.234CC..Hα-helixtrans-86.3-38-177.6-77.5171.3000112F37 T134 L138 G235 I236 I237F37-L233 HydrophobicContact CD2-CD2 4.16Å; F37-L233 HydrophobicContact CE2-CD2 3.63Å; F37-L233 HydrophobicContact CE2-CG 4.43Å; F37-L233 HydrophobicContact CZ-CD2 3.94Å; F37-L233 HydrophobicContact CZ-CG 4.29Å; T134-L233 HydrophobicContact CG2-CD1 3.38Å; T134-L233 HydrophobicContact CG2-CG 4.01Å; L138-L233 HydrophobicContact CD2-CD1 4.13Å; L138-L233 HydrophobicContact CG-CD1 4.28Å; L233-G235 PolarHBondContact O-N 3.06Å; L233-I236 PolarHBondContact O-N 3.41Å; L233-I237 HydrophobicContact CB-CD1 4.16Å; L233-I237 HydrophobicContact CD2-CD1 3.98Å; L233-I237 VanDerWaalsContact O-CB 3.3Å; L233-I237 WeakPolarHBondContact O-CB 3.43Å; L233-I237 WeakPolarHBondContact O-CG1 3.41Å; L233-I237 PolarHBondContact O-N 3.3Å
234T50.4Low48.6Very low1 Ų142.8 Ų42.81%0.00623%0.225CC..Hα-helixtrans-59.8-42.2175.8-23.40000110.4Y213 V228 D230 A238 L244Y213-T234 VanDerWaalsContact CB-CB 3.49Å; V228-T234 WeakPolarHBondContact CG1-OG1 3.39Å; V228-T234 HydrophobicContact CG2-CG2 3.87Å; V228-T234 WeakPolarHBondContact CG2-OG1 3.02Å; D230-T234 PolarHBondContact O-OG1 3.19Å; T234-A238 VanDerWaalsContact O-CB 3.22Å; T234-A238 WeakPolarHBondContact O-CB 3.4Å; T234-A238 PolarHBondContact O-N 3.42Å; T234-L244 HydrophobicContact CG2-CD2 4.44Å
235G47.7Very low49Very low0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-69.2-48.5178.800000113.5P211 A231 L233 I237P211-G235 VanDerWaalsContact CB-CA 3.49Å; P211-G235 VanDerWaalsContact CG-C 3.45Å; P211-G235 WeakPolarHBondContact CG-O 3.25Å; A231-G235 PolarHBondContact O-N 3.31Å; L233-G235 PolarHBondContact O-N 3.06Å; G235-I237 VanDerWaalsContact C-N 3.28Å; G235-I237 PolarHBondContact O-N 3.22Å
236I49.9Very low49.2Very low36 Ų3644.1 Ų44.119%0.18524%0.238CC..Hα-helixtrans-63.6-35.8179.6-71171.6000111.2P33 I35 Y232 L233 L239P33-I236 HydrophobicContact CB-CD1 3.93Å; P33-I236 HydrophobicContact CG-CD1 3.94Å; P33-I236 HydrophobicContact CG-CG1 3.97Å; I35-I236 HydrophobicContact CD1-CD1 4.25Å; Y232-I236 HydrophobicContact CD1-CD1 4.09Å; Y232-I236 HydrophobicContact CE1-CD1 4.1Å; Y232-I236 WeakPolarHBondContact O-CB 3.22Å; Y232-I236 VanDerWaalsContact O-CD1 3.31Å; Y232-I236 WeakPolarHBondContact O-CD1 3.33Å; Y232-I236 WeakPolarHBondContact O-CG1 3.45Å; Y232-I236 PolarHBondContact O-N 2.95Å; L233-I236 PolarHBondContact O-N 3.41Å; I236-L239 WeakPolarHBondContact O-CB 3.39Å
237I49.7Very low49.4Very low45 Ų4544.6 Ų44.623%0.23124%0.241CC..Hα-helixtrans-92.7-17.1-175.2-47166.7000112I226 L233 G235 L239 A240 I242I226-I237 HydrophobicContact CB-CD1 4.49Å; I226-I237 HydrophobicContact CD1-CB 3.35Å; I226-I237 HydrophobicContact CD1-CD1 4.48Å; I226-I237 HydrophobicContact CD1-CG1 4.49Å; I226-I237 HydrophobicContact CD1-CG2 3.25Å; I226-I237 HydrophobicContact CG1-CB 3.56Å; I226-I237 HydrophobicContact CG1-CD1 3.69Å; I226-I237 HydrophobicContact CG1-CG1 4.22Å; I226-I237 HydrophobicContact CG1-CG2 3.41Å; I226-I237 VanDerWaalsContact CG1-CG2 3.41Å; I226-I237 HydrophobicContact CG2-CD1 3.95Å; L233-I237 HydrophobicContact CB-CD1 4.16Å; L233-I237 HydrophobicContact CD2-CD1 3.98Å; L233-I237 VanDerWaalsContact O-CB 3.3Å; L233-I237 WeakPolarHBondContact O-CB 3.43Å; L233-I237 WeakPolarHBondContact O-CG1 3.41Å; L233-I237 PolarHBondContact O-N 3.3Å; G235-I237 VanDerWaalsContact C-N 3.28Å; G235-I237 PolarHBondContact O-N 3.22Å; I237-L239 PolarHBondContact O-N 2.98Å; I237-L239 VanDerWaalsContact O-N 3.14Å; I237-A240 HydrophobicContact CG2-CB 3.9Å; I237-A240 WeakPolarHBondContact O-CA 3.49Å; I237-A240 VanDerWaalsContact O-CB 3.27Å; I237-A240 WeakPolarHBondContact O-CB 3.4Å; I237-A240 PolarHBondContact O-N 2.96Å; I237-I242 HydrophobicContact CG2-CD1 4.4Å
238A48.3Very low49.1Very low29 Ų2950.6 Ų50.624%0.2427%0.272CS..Hα-helixtrans-55.2-30164.700000111.8T234 A240 L244T234-A238 VanDerWaalsContact O-CB 3.22Å; T234-A238 WeakPolarHBondContact O-CB 3.4Å; T234-A238 PolarHBondContact O-N 3.42Å; A238-A240 PolarHBondContact O-N 2.97Å; A238-L244 HydrophobicContact CB-CD1 4.2Å
239L48.5Very low48.5Very low77 Ų7751.6 Ų51.640%0.40328%0.277SS..THydrogen-bonded Turntrans-69-12173.1-56.3166.7000113.6L30 I236 I237L30-L239 HydrophobicContact CB-CD1 3.85Å; L30-L239 HydrophobicContact CD1-CD1 3.74Å; L30-L239 HydrophobicContact CD1-CD2 3.74Å; L30-L239 HydrophobicContact CD1-CG 4.35Å; L30-L239 HydrophobicContact CG-CD1 4.29Å; I236-L239 WeakPolarHBondContact O-CB 3.39Å; I237-L239 PolarHBondContact O-N 2.98Å; I237-L239 VanDerWaalsContact O-N 3.14Å
240A47.8Very low47.5Very low59 Ų5956.7 Ų56.749%0.48830%0.304SS..THydrogen-bonded Turntrans-97.520.2-177.400000114.4I237 A238I237-A240 HydrophobicContact CG2-CB 3.9Å; I237-A240 WeakPolarHBondContact O-CA 3.49Å; I237-A240 VanDerWaalsContact O-CB 3.27Å; I237-A240 WeakPolarHBondContact O-CB 3.4Å; I237-A240 PolarHBondContact O-N 2.96Å; A238-A240 PolarHBondContact O-N 2.97Å
241S50.8Low46.5Very low112 Ų11261.4 Ų61.478%0.78332%0.322SS*.SBendtrans81.233.4171.8-470000117.4
242I50.6Low45.9Very low28 Ų2861 Ų6114%0.14432%0.318CS..  trans-102.1134.4169.2-70.7152.9000109.6I182 Y225 I226 I237I182-I242 HydrophobicContact CD1-CG2 3.92Å; I182-I242 HydrophobicContact CG1-CG2 4.28Å; Y225-I242 WeakPolarHBondContact O-CD1 3.37Å; I226-I242 HydrophobicContact CD1-CB 4.42Å; I226-I242 HydrophobicContact CD1-CD1 3.44Å; I226-I242 VanDerWaalsContact CD1-CD1 3.44Å; I226-I242 HydrophobicContact CG1-CD1 4.12Å; I237-I242 HydrophobicContact CG2-CD1 4.4Å
243R49.7Very low45.2Very low202 Ų20261 Ų6176%0.76232%0.321SS*.EExtended strand (participates in β ladder)trans-86.5112.8179.7-73-176.3178.4-177.7-0.5109.9
244L50.4Low44.6Very low29 Ų2961.7 Ų61.715%0.15232%0.323CS..EExtended strand (participates in β ladder)trans-74.1137.1169.3-60.7176.5000109.6I182 L186 E212 T234 A238I182-L244 HydrophobicContact CB-CD2 4.26Å; I182-L244 HydrophobicContact CD1-CD2 4.14Å; L186-L244 HydrophobicContact CD1-CB 3.97Å; L186-L244 HydrophobicContact CD1-CD1 3.86Å; L186-L244 HydrophobicContact CD1-CG 4.48Å; E212-L244 HydrophobicContact CB-CD1 3.6Å; E212-L244 VanDerWaalsContact O-CD1 3.31Å; E212-L244 WeakPolarHBondContact O-CD1 3.44Å; T234-L244 HydrophobicContact CG2-CD2 4.44Å; A238-L244 HydrophobicContact CB-CD1 4.2Å
245K47.6Very low44.1Very low75 Ų7566 Ų6633%0.32634%0.34SS..EExtended strand (participates in β ladder)trans-123.7122.1172.9-76.3-170171.7-174.90109.9E181 I182 F247E181-K245 HydrophobicContact CG-CD 4.33Å; E181-K245 VanDerWaalsContact OE1-CE 3.25Å; E181-K245 WeakPolarHBondContact OE1-CE 3.46Å; E181-K245 IonicContact OE1-NZ 3.56Å; E181-K245 PolarHBondContact OE1-NZ 2.84Å; I182-K245 PolarHBondContact O-N 3.31Å; K245-F247 PolarHBondContact O-N 3.06Å
246T46.3Very low43.8Very low84 Ų8471.6 Ų71.652%0.51537%0.366SS..EExtended strand (participates in β ladder)trans-61.4125175-44.70000110.4L186L186-T246 HydrophobicContact CB-CG2 3.93Å; L186-T246 WeakPolarHBondContact CD2-OG1 3.23Å
247F42.7Very low43.1Very low14 Ų1471.6 Ų71.66%0.06137%0.369CS..  trans-112.6125.6160.3-173.9-108.9000108.8F171 G184 K245 M249 K251 V252F171-F247 HydrophobicContact CD2-CE2 4.2Å; F171-F247 HydrophobicContact CD2-CZ 4.01Å; F171-F247 HydrophobicContact CE2-CD2 4.16Å; F171-F247 HydrophobicContact CE2-CE1 4.49Å; F171-F247 AromaticContact CE2-CE2 3.59Å; F171-F247 HydrophobicContact CE2-CE2 3.59Å; F171-F247 AromaticContact CE2-CZ 3.72Å; F171-F247 HydrophobicContact CE2-CZ 3.72Å; G184-F247 PolarHBondContact O-N 3.48Å; G184-F247 VanDerWaalsContact O-N 3.08Å; G184-F247 VanDerWaalsContact O-O 3.12Å; K245-F247 PolarHBondContact O-N 3.06Å; F247-M249 PolarHBondContact O-N 2.95Å; F247-M249 VanDerWaalsContact O-N 3.1Å; F247-K251 HydrophobicContact CE1-CB 4.13Å; F247-K251 HydrophobicContact CE2-CB 4.25Å; F247-K251 HydrophobicContact CE2-CD 4.45Å; F247-K251 HydrophobicContact CZ-CB 3.48Å; F247-K251 VanDerWaalsContact CZ-CB 3.48Å; F247-K251 HydrophobicContact CZ-CD 4.47Å; F247-K251 HydrophobicContact CZ-CG 4.45Å; F247-V252 HydrophobicContact CE1-CG2 4.14Å; F247-V252 HydrophobicContact CZ-CG2 4.38Å
248L31.6Very low42.2Very low125 Ų12574.3 Ų74.365%0.65439%0.388SS*.  trans-67.8107.7163.1-73.3164.6000107.2N250 K251L248-N250 PolarHBondContact O-N 3.42Å; L248-K251 PolarHBondContact O-N 3Å
249M35.9Very low41.3Very low22 Ų2279.8 Ų79.811%0.10841%0.414CS..G310 helixtrans-55.3-6.8175.7-78.7-160.9-60.300114.4H185 R217 F247 K251 V252 F254H185-M249 HydrophobicContact CB-CE 3.29Å; H185-M249 HydrophobicContact CB-CG 3.84Å; H185-M249 HydrophobicContact CB-SD 3.76Å; R217-M249 HydrophobicContact CB-SD 4.19Å; F247-M249 PolarHBondContact O-N 2.95Å; F247-M249 VanDerWaalsContact O-N 3.1Å; M249-K251 PolarHBondContact O-N 3.31Å; M249-V252 CarbonylContact O-C 3.3Å; M249-V252 VanDerWaalsContact O-C 3.3Å; M249-V252 PolarHBondContact O-N 3.48Å; M249-F254 HydrophobicContact CG-CD2 4.42Å; M249-F254 HydrophobicContact SD-CD2 3.67Å; M249-F254 HydrophobicContact SD-CE2 4.11Å
250N33Very low40.4Very low135 Ų13579 Ų7972%0.72242%0.424SS*.G310 helixtrans-59-8.7175.2-57.5-1.1000114.1L248L248-N250 PolarHBondContact O-N 3.42Å
251K35.5Very low39.3Very low157 Ų15783 Ų8368%0.68344%0.437SS*.G310 helixtrans-103.6-13.1175.9-72.1-172-177.6-170.60114.7F247 L248 M249F247-K251 HydrophobicContact CE1-CB 4.13Å; F247-K251 HydrophobicContact CE2-CB 4.25Å; F247-K251 HydrophobicContact CE2-CD 4.45Å; F247-K251 HydrophobicContact CZ-CB 3.48Å; F247-K251 VanDerWaalsContact CZ-CB 3.48Å; F247-K251 HydrophobicContact CZ-CD 4.47Å; F247-K251 HydrophobicContact CZ-CG 4.45Å; L248-K251 PolarHBondContact O-N 3Å; M249-K251 PolarHBondContact O-N 3.31Å
252V39.9Very low38.3Very low2 Ų282.7 Ų82.71%0.01242%0.421CS..SBendtrans-128.697.7168.4-177.90000106.6F219 F247 M249 F254F219-V252 HydrophobicContact CZ-CG1 4.29Å; F219-V252 HydrophobicContact CZ-CG2 4.17Å; F247-V252 HydrophobicContact CE1-CG2 4.14Å; F247-V252 HydrophobicContact CZ-CG2 4.38Å; M249-V252 CarbonylContact O-C 3.3Å; M249-V252 VanDerWaalsContact O-C 3.3Å; M249-V252 PolarHBondContact O-N 3.48Å; V252-F254 HydrophobicContact CB-CE2 4.05Å; V252-F254 HydrophobicContact CB-CZ 4.41Å; V252-F254 HydrophobicContact CG1-CD2 4.28Å; V252-F254 HydrophobicContact CG1-CE1 4.09Å; V252-F254 HydrophobicContact CG1-CE2 3.77Å; V252-F254 HydrophobicContact CG1-CZ 3.69Å; V252-F254 VanDerWaalsContact O-CD2 3.3Å; V252-F254 WeakPolarHBondContact O-CD2 3.14Å; V252-F254 PolarHBondContact O-N 3.29Å
253N38.4Very low37.1Very low41 Ų4186 Ų8622%0.21944%0.443CS..  trans-67.2106.3-179.3-64.8-3.9000108.9R167 Y255R167-N253 VanDerWaalsContact NH1-CG 3.29Å; R167-N253 PolarHBondContact NH1-ND2 2.99Å; N253-Y255 HydrophobicContact CB-CD2 4.12Å; N253-Y255 HydrophobicContact CB-CE1 4.44Å; N253-Y255 HydrophobicContact CB-CE2 3.39Å; N253-Y255 PolarHBondContact ND2-OH 3.48Å
254F42.2Very low35.8Very low22 Ų2284.2 Ų84.210%0.09645%0.448CS..  trans-93111.9162.9-63-72000107.3M161 M163 R217 F219 M249 V252M161-F254 HydrophobicContact CE-CB 4.09Å; M161-F254 HydrophobicContact CE-CD1 2.99Å; M161-F254 HydrophobicContact CE-CD2 4.48Å; M161-F254 HydrophobicContact CE-CE1 3.31Å; M161-F254 HydrophobicContact CE-CG 3.63Å; M161-F254 HydrophobicContact CE-CZ 4.2Å; M163-F254 HydrophobicContact CE-CE1 4.01Å; M163-F254 HydrophobicContact CG-CD1 4.01Å; M163-F254 HydrophobicContact CG-CE1 3.77Å; M163-F254 HydrophobicContact SD-CE1 4Å; R217-F254 HydrophobicContact CB-CD2 4.3Å; R217-F254 HydrophobicContact CB-CE2 4.2Å; R217-F254 HydrophobicContact CB-CZ 4.45Å; F219-F254 HydrophobicContact CE2-CE2 4.11Å; F219-F254 AromaticContact CE2-CZ 3.81Å; F219-F254 HydrophobicContact CE2-CZ 3.81Å; F219-F254 HydrophobicContact CZ-CE2 4.49Å; F219-F254 AromaticContact CZ-CZ 3.92Å; F219-F254 HydrophobicContact CZ-CZ 3.92Å; M249-F254 HydrophobicContact CG-CD2 4.42Å; M249-F254 HydrophobicContact SD-CD2 3.67Å; M249-F254 HydrophobicContact SD-CE2 4.11Å; V252-F254 HydrophobicContact CB-CE2 4.05Å; V252-F254 HydrophobicContact CB-CZ 4.41Å; V252-F254 HydrophobicContact CG1-CD2 4.28Å; V252-F254 HydrophobicContact CG1-CE1 4.09Å; V252-F254 HydrophobicContact CG1-CE2 3.77Å; V252-F254 HydrophobicContact CG1-CZ 3.69Å; V252-F254 VanDerWaalsContact O-CD2 3.3Å; V252-F254 WeakPolarHBondContact O-CD2 3.14Å; V252-F254 PolarHBondContact O-N 3.29Å
255Y40.3Very low35Very low92 Ų9291.6 Ų91.636%0.36149%0.485SS..EExtended strand (participates in β ladder)trans-92.9128172.6-57.5-86.4000108.2L162 N253 I265L162-Y255 HydrophobicContact CB-CD2 4.35Å; L162-Y255 PolarHBondContact N-O 2.75Å; L162-Y255 VanDerWaalsContact N-O 3.14Å; L162-Y255 PolarHBondContact O-N 3.17Å; N253-Y255 HydrophobicContact CB-CD2 4.12Å; N253-Y255 HydrophobicContact CB-CE1 4.44Å; N253-Y255 HydrophobicContact CB-CE2 3.39Å; N253-Y255 PolarHBondContact ND2-OH 3.48Å; Y255-I265 HydrophobicContact CE1-CD1 4.21Å; Y255-I265 HydrophobicContact CE2-CD1 4.16Å
256H39.9Very low34.4Very low117 Ų11792.5 Ų92.554%0.54249%0.493SS..EExtended strand (participates in β ladder)trans-79.1123.5169.3-162.5-55.3000107.5D160 T258D160-H256 IonicContact OD2-CE1 3.65Å; D160-H256 PolarHBondContact OD2-CE1 3.36Å; D160-H256 IonicContact OD2-ND1 3.96Å; D160-H256 IonicContact OD2-NE2 2.79Å; D160-H256 PolarHBondContact OD2-NE2 3.2Å; H256-T258 PolarHBondContact O-N 3.47Å
257S35.8Very low33.8Very low36 Ų3692.9 Ų92.925%0.25249%0.492SS..  trans-73.273.6170.5175.60000109.2D160 N259D160-S257 WeakPolarHBondContact O-CB 3.5Å; D160-S257 PolarHBondContact O-N 3.23Å; S257-N259 PolarHBondContact O-N 3.4Å; S257-N259 VanDerWaalsContact O-N 3.17Å
258T30.6Very low33.3Very low103 Ų10397.3 Ų97.363%0.63252%0.516SS*.THydrogen-bonded Turntrans-76.1100.716551.50000107.1H256H256-T258 PolarHBondContact O-N 3.47Å
259N30Very low33.4Very low144 Ų14495.6 Ų95.677%0.7751%0.508SS*.THydrogen-bonded Turntrans111.826.2165.7-51.9-26.5000119S257 L261S257-N259 PolarHBondContact O-N 3.4Å; S257-N259 VanDerWaalsContact O-N 3.17Å; N259-L261 PolarHBondContact O-N 3.17Å
260G29.2Very low33.2Very low61 Ų61100.3 Ų100.363%0.62953%0.533SS*.SBendtrans61.912.5164.700000115.6
261L24.7Very low33.2Very low142 Ų14297.9 Ų97.974%0.74352%0.52SS*.  trans-105.899.5172.8-93.7133.2000107.3N259 T263N259-L261 PolarHBondContact O-N 3.17Å; L261-T263 PolarHBondContact O-N 3.49Å
262F30Very low33Very low106 Ų10693.7 Ų93.747%0.46551%0.509SS..  trans-49.2107.9165.2-68.5-87.4000108.7A82A82-F262 HydrophobicContact CB-CE1 3.64Å; A82-F262 HydrophobicContact CB-CE2 4.2Å; A82-F262 HydrophobicContact CB-CZ 3.28Å
263T24.8Very low32.5Very low98 Ų98100.8 Ų100.860%0.60155%0.547SS*.  trans-93.5108.3162.3-54.10000106.2L261 I265L261-T263 PolarHBondContact O-N 3.49Å; T263-I265 PolarHBondContact O-N 3.45Å
264L24Very low32Very low163 Ų163105.8 Ų105.885%0.85357%0.574SS**  trans-56.9121.5166.2-82.7151.5000108.8
265I32.8Very low31.1Very low185 Ų185113.4 Ų113.495%0.94962%0.618SS**  trans-1320152.4-44.3177.6000107.2Y255 T263Y255-I265 HydrophobicContact CE1-CD1 4.21Å; Y255-I265 HydrophobicContact CE2-CD1 4.16Å; T263-I265 PolarHBondContact O-N 3.45Å

Retrieved 265 of 265 residues in 208.6 ms (Link to these results)

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