A0A087Y1R5_POEFO Loading...

E3 ubiquitin-protein ligase Topors

AlphaFold DB , UniProt , Accession A0A087Y1R5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 801 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
1M43.7Very low50.3Low196 Ų196108.5 Ų108.597%0.96655%0.547SS*.  0-66.60-75.7178.6172.400111.4E3 F4 L5M1-E3 PolarHBondContact O-N 3.33Å; M1-F4 WeakPolarHBondContact O-CB 3.42Å; M1-F4 PolarHBondContact O-N 3.16Å; M1-L5 PolarHBondContact O-N 3.23Å
2S39.5Very low51Low94 Ų94105.4 Ų105.466%0.65754%0.543SS*.Hα-helixtrans-51-47.8178.646.10000114.4F4 L5 Q6S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 3.15Å; S2-L5 PolarHBondContact O-N 3.34Å; S2-Q6 WeakPolarHBondContact O-CB 3.45Å; S2-Q6 PolarHBondContact O-N 3.06Å
3E40.8Very low51.4Low169 Ų16999.1 Ų99.179%0.7952%0.516SS*.Hα-helixtrans-67.4-31178.4-64.4174.3138.900113.2M1 G7M1-E3 PolarHBondContact O-N 3.33Å; E3-G7 PolarHBondContact O-N 3.29Å
4F40.5Very low52Low153 Ų15392.6 Ų92.667%0.67148%0.483SS*.Hα-helixtrans-68.9-48.5174.1-106.6-100.8000110.9M1 S2 Q6 G7 E8M1-F4 WeakPolarHBondContact O-CB 3.42Å; M1-F4 PolarHBondContact O-N 3.16Å; S2-F4 VanDerWaalsContact C-N 3.33Å; S2-F4 PolarHBondContact O-N 3.15Å; F4-Q6 VanDerWaalsContact C-N 3.28Å; F4-Q6 PolarHBondContact O-N 3.36Å; F4-G7 CarbonylContact O-C 3.52Å; F4-G7 WeakPolarHBondContact O-CA 3.47Å; F4-G7 PolarHBondContact O-N 3.03Å; F4-E8 WeakPolarHBondContact O-CG 3.4Å; F4-E8 PolarHBondContact O-N 3.18Å
5L49.8Very low52.3Low110 Ų11093.5 Ų93.558%0.57648%0.481SS*.Hα-helixtrans-61.7-35.6175.8-68.7164.8000112M1 S2 K9M1-L5 PolarHBondContact O-N 3.23Å; S2-L5 PolarHBondContact O-N 3.34Å; L5-K9 VanDerWaalsContact O-CB 3.23Å; L5-K9 WeakPolarHBondContact O-CB 3.33Å; L5-K9 PolarHBondContact O-N 3.32Å
6Q54.1Low52.7Low78 Ų7892.1 Ų92.136%0.36448%0.478SS..Hα-helixtrans-65.5-43.2172.2-168.971.5600110.8S2 F4 K9 I10 D57S2-Q6 WeakPolarHBondContact O-CB 3.45Å; S2-Q6 PolarHBondContact O-N 3.06Å; F4-Q6 VanDerWaalsContact C-N 3.28Å; F4-Q6 PolarHBondContact O-N 3.36Å; Q6-K9 PolarHBondContact O-N 3.07Å; Q6-I10 HydrophobicContact CG-CD1 4.08Å; Q6-I10 WeakPolarHBondContact O-CB 3.24Å; Q6-I10 WeakPolarHBondContact O-CD1 3.22Å; Q6-I10 VanDerWaalsContact O-CG1 3.24Å; Q6-I10 WeakPolarHBondContact O-CG1 3.35Å; Q6-I10 PolarHBondContact O-N 3.32Å; Q6-D57 PolarHBondContact NE2-O 3Å
7G51Low52.9Low30 Ų3087.1 Ų87.131%0.30945%0.454SS..Hα-helixtrans-59.8-51.1173.900000113E3 F4 K9 I10 M11E3-G7 PolarHBondContact O-N 3.29Å; F4-G7 CarbonylContact O-C 3.52Å; F4-G7 WeakPolarHBondContact O-CA 3.47Å; F4-G7 PolarHBondContact O-N 3.03Å; G7-K9 VanDerWaalsContact C-N 3.31Å; G7-K9 PolarHBondContact O-N 3.3Å; G7-I10 PolarHBondContact O-N 2.77Å; G7-M11 WeakPolarHBondContact O-CB 3.47Å; G7-M11 WeakPolarHBondContact O-CG 3.43Å; G7-M11 PolarHBondContact O-N 3.5Å
8E56.6Low53Low115 Ų11584.6 Ų84.654%0.53744%0.44SS..Hα-helixtrans-58.3-41.5176.4-71.5167.4174.400112F4 M11 S12F4-E8 WeakPolarHBondContact O-CG 3.4Å; F4-E8 PolarHBondContact O-N 3.18Å; E8-M11 PolarHBondContact O-N 3.11Å; E8-S12 VanDerWaalsContact O-CB 3.3Å; E8-S12 WeakPolarHBondContact O-CB 3.29Å; E8-S12 PolarHBondContact O-N 3.31Å
9K59.6Low53Low140 Ų14085.6 Ų85.661%0.60944%0.443SS*.Hα-helixtrans-69.3-33.9177.5-166.1168.4-174.3172.60112.8L5 Q6 G7 A13L5-K9 VanDerWaalsContact O-CB 3.23Å; L5-K9 WeakPolarHBondContact O-CB 3.33Å; L5-K9 PolarHBondContact O-N 3.32Å; Q6-K9 PolarHBondContact O-N 3.07Å; G7-K9 VanDerWaalsContact C-N 3.31Å; G7-K9 PolarHBondContact O-N 3.3Å; K9-A13 WeakPolarHBondContact O-CB 3.41Å; K9-A13 PolarHBondContact O-N 3.2Å; K9-A13 VanDerWaalsContact O-N 3.12Å
10I59.9Low52.9Low13 Ų1387.6 Ų87.67%0.06745%0.45CS..Hα-helixtrans-69.1-47.9171.7-71164.1000110.4Q6 G7 S12 A13 V14 L60 Y89Q6-I10 HydrophobicContact CG-CD1 4.08Å; Q6-I10 WeakPolarHBondContact O-CB 3.24Å; Q6-I10 WeakPolarHBondContact O-CD1 3.22Å; Q6-I10 VanDerWaalsContact O-CG1 3.24Å; Q6-I10 WeakPolarHBondContact O-CG1 3.35Å; Q6-I10 PolarHBondContact O-N 3.32Å; G7-I10 PolarHBondContact O-N 2.77Å; I10-S12 VanDerWaalsContact C-N 3.3Å; I10-S12 PolarHBondContact O-N 3.33Å; I10-A13 PolarHBondContact O-N 3.03Å; I10-A13 VanDerWaalsContact O-N 3.11Å; I10-V14 HydrophobicContact CG2-CG2 4.27Å; I10-V14 WeakPolarHBondContact O-CB 3.49Å; I10-V14 WeakPolarHBondContact O-CG2 3.3Å; I10-V14 PolarHBondContact O-N 3.19Å; I10-L60 HydrophobicContact CG1-CD2 4.45Å; I10-Y89 HydrophobicContact CD1-CE1 4.41Å; I10-Y89 HydrophobicContact CD1-CE2 4.32Å; I10-Y89 HydrophobicContact CG2-CE1 4.45Å
11M57.8Low52.5Low95 Ų9586.9 Ų86.947%0.46845%0.453SS..Hα-helixtrans-58-43.1177.3-64.1-98.8-76.900111G7 E8 V14 K15G7-M11 WeakPolarHBondContact O-CB 3.47Å; G7-M11 WeakPolarHBondContact O-CG 3.43Å; G7-M11 PolarHBondContact O-N 3.5Å; E8-M11 PolarHBondContact O-N 3.11Å; M11-V14 PolarHBondContact O-N 3.23Å; M11-K15 VanDerWaalsContact O-CB 3.24Å; M11-K15 WeakPolarHBondContact O-CB 3.24Å; M11-K15 PolarHBondContact O-N 3.22Å
12S58.8Low52.4Low72 Ų7281.6 Ų81.650%0.50344%0.435SS..Hα-helixtrans-60.2-45.8173.8-176.50000112.3E8 I10 K15 V16E8-S12 VanDerWaalsContact O-CB 3.3Å; E8-S12 WeakPolarHBondContact O-CB 3.29Å; E8-S12 PolarHBondContact O-N 3.31Å; I10-S12 VanDerWaalsContact C-N 3.3Å; I10-S12 PolarHBondContact O-N 3.33Å; S12-K15 PolarHBondContact O-N 3.41Å; S12-V16 WeakPolarHBondContact O-CG2 3.36Å; S12-V16 PolarHBondContact O-N 3.34Å
13A56Low52.6Low23 Ų2385.9 Ų85.919%0.1944%0.442CS..Hα-helixtrans-67.9-36.8178.200000113.5K9 I10 A17 L60K9-A13 WeakPolarHBondContact O-CB 3.41Å; K9-A13 PolarHBondContact O-N 3.2Å; K9-A13 VanDerWaalsContact O-N 3.12Å; I10-A13 PolarHBondContact O-N 3.03Å; I10-A13 VanDerWaalsContact O-N 3.11Å; A13-A17 WeakPolarHBondContact O-CB 3.4Å; A13-A17 PolarHBondContact O-N 3.08Å; A13-L60 HydrophobicContact CB-CD1 3.84Å
14V59.5Low52.6Low8 Ų882.8 Ų82.85%0.04844%0.439CS..Hα-helixtrans-64.3-44.5172.9167.30000110.6I10 M11 V16 A17 L18 I92I10-V14 HydrophobicContact CG2-CG2 4.27Å; I10-V14 WeakPolarHBondContact O-CB 3.49Å; I10-V14 WeakPolarHBondContact O-CG2 3.3Å; I10-V14 PolarHBondContact O-N 3.19Å; M11-V14 PolarHBondContact O-N 3.23Å; V14-V16 PolarHBondContact O-N 2.93Å; V14-A17 WeakPolarHBondContact O-CA 3.47Å; V14-A17 WeakPolarHBondContact O-CB 3.43Å; V14-A17 PolarHBondContact O-N 2.97Å; V14-A17 VanDerWaalsContact O-N 3.08Å; V14-L18 HydrophobicContact CG1-CD1 3.81Å; V14-L18 PolarHBondContact O-N 3.44Å; V14-I92 HydrophobicContact CG1-CG2 3.85Å; V14-I92 HydrophobicContact CG2-CD1 4.3Å
15K57.6Low52.5Low106 Ų10678.7 Ų78.746%0.46144%0.439SS..Hα-helixtrans-63.4-38.6178-166.2178-157.385.40112.7M11 S12 Q19 D95M11-K15 VanDerWaalsContact O-CB 3.24Å; M11-K15 WeakPolarHBondContact O-CB 3.24Å; M11-K15 PolarHBondContact O-N 3.22Å; S12-K15 PolarHBondContact O-N 3.41Å; K15-Q19 WeakPolarHBondContact O-CG 3.29Å; K15-Q19 PolarHBondContact O-N 2.97Å; K15-D95 VanDerWaalsContact CA-OD1 3.23Å; K15-D95 WeakPolarHBondContact CA-OD1 3.48Å; K15-D95 WeakPolarHBondContact CB-OD1 3.23Å; K15-D95 IonicContact NZ-OD2 2.71Å; K15-D95 PolarHBondContact NZ-OD2 2.66Å
16V58.6Low52.1Low71 Ų7184.8 Ų84.843%0.4346%0.455SS..Hα-helixtrans-63.4-46.7169.4169.60000110.7S12 V14 L18 Q19 H20S12-V16 WeakPolarHBondContact O-CG2 3.36Å; S12-V16 PolarHBondContact O-N 3.34Å; V14-V16 PolarHBondContact O-N 2.93Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 2.99Å; V16-Q19 PolarHBondContact O-N 3.36Å; V16-H20 PolarHBondContact O-CD2 2.81Å; V16-H20 PolarHBondContact O-N 2.96Å
17A55.8Low51.3Low8 Ų893.3 Ų93.37%0.06648%0.484CS..Hα-helixtrans-58.1-41.5179.200000113.2A13 V14 H20 S21 M53 Y55A13-A17 WeakPolarHBondContact O-CB 3.4Å; A13-A17 PolarHBondContact O-N 3.08Å; V14-A17 WeakPolarHBondContact O-CA 3.47Å; V14-A17 WeakPolarHBondContact O-CB 3.43Å; V14-A17 PolarHBondContact O-N 2.97Å; V14-A17 VanDerWaalsContact O-N 3.08Å; A17-H20 PolarHBondContact O-N 3.24Å; A17-S21 PolarHBondContact O-N 2.98Å; A17-M53 HydrophobicContact CB-CE 4.41Å; A17-Y55 HydrophobicContact CB-CE2 4.33Å; A17-Y55 WeakPolarHBondContact CB-OH 3.33Å
18L54.8Low50.9Low41 Ų41101.4 Ų101.422%0.21551%0.511CS..Hα-helixtrans-71.7-29.4179-72.3162.4000113V14 V16 S21 S22 I92 D95V14-L18 HydrophobicContact CG1-CD1 3.81Å; V14-L18 PolarHBondContact O-N 3.44Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 2.99Å; L18-S21 PolarHBondContact O-N 3.24Å; L18-S22 WeakPolarHBondContact O-CB 3.43Å; L18-S22 PolarHBondContact O-N 3.22Å; L18-S22 PolarHBondContact O-OG 3.48Å; L18-I92 HydrophobicContact CD1-CG2 4.24Å; L18-I92 HydrophobicContact CD2-CG2 4.35Å; L18-I92 HydrophobicContact CG-CG2 4.34Å; L18-D95 WeakPolarHBondContact CD1-OD1 3.44Å
19Q53.5Low50Low104 Ų104102.4 Ų102.449%0.48652%0.524SS..Hα-helixtrans-68.4-31.4170.6-72.3174.64000113.3K15 V16 S22 K23K15-Q19 WeakPolarHBondContact O-CG 3.29Å; K15-Q19 PolarHBondContact O-N 2.97Å; V16-Q19 PolarHBondContact O-N 3.36Å; Q19-S22 PolarHBondContact O-OG 2.83Å; Q19-K23 WeakPolarHBondContact O-CG 3.37Å
20H51Low49Very low126 Ų126100.8 Ų100.858%0.58353%0.531SS*.Hα-helixtrans-74.3-39.9170.6-71.1-76.8000112.3V16 A17V16-H20 PolarHBondContact O-CD2 2.81Å; V16-H20 PolarHBondContact O-N 2.96Å; A17-H20 PolarHBondContact O-N 3.24Å
21S43.3Very low47.9Very low73 Ų73109.3 Ų109.351%0.5157%0.567SS.*Hα-helixtrans-62.7-49.6178.1-174.50000112.6A17 L18 K23 S24A17-S21 PolarHBondContact O-N 2.98Å; L18-S21 PolarHBondContact O-N 3.24Å; S21-K23 VanDerWaalsContact C-N 3.34Å; S21-K23 PolarHBondContact O-N 3.42Å; S21-S24 WeakPolarHBondContact O-CB 3.1Å; S21-S24 PolarHBondContact O-N 3.32Å; S21-S24 VanDerWaalsContact O-N 3.11Å
22S42.9Very low47Very low85 Ų85110 Ų11059%0.59458%0.577SS**Hα-helixtrans-61.2-36-177.648.30000113.7L18 Q19 S24 G25L18-S22 WeakPolarHBondContact O-CB 3.43Å; L18-S22 PolarHBondContact O-N 3.22Å; L18-S22 PolarHBondContact O-OG 3.48Å; Q19-S22 PolarHBondContact O-OG 2.83Å; S22-S24 PolarHBondContact O-N 2.92Å; S22-G25 PolarHBondContact O-N 2.84Å; S22-G25 VanDerWaalsContact O-N 3.07Å
23K42.5Very low46Very low183 Ų183115.3 Ų115.380%0.79660%0.596SS**Hα-helixtrans-67.1-20.5177.1-73.2179.6179.3-179.60113.9Q19 S21 G25Q19-K23 WeakPolarHBondContact O-CG 3.37Å; S21-K23 VanDerWaalsContact C-N 3.34Å; S21-K23 PolarHBondContact O-N 3.42Å; K23-G25 VanDerWaalsContact C-N 3.29Å
24S41Very low45.8Very low105 Ų105119.8 Ų119.873%0.73463%0.626SS**THydrogen-bonded Turntrans-81.4-5.2172.8-168.10000113.6S21 S22 R26S21-S24 WeakPolarHBondContact O-CB 3.1Å; S21-S24 PolarHBondContact O-N 3.32Å; S21-S24 VanDerWaalsContact O-N 3.11Å; S22-S24 PolarHBondContact O-N 2.92Å; S24-R26 PolarHBondContact O-N 3.28Å
25G37.7Very low45Very low66 Ų66123.5 Ų123.568%0.6866%0.658SS**  trans-84.610.8-16200000118.1S22 K23S22-G25 PolarHBondContact O-N 2.84Å; S22-G25 VanDerWaalsContact O-N 3.07Å; K23-G25 VanDerWaalsContact C-N 3.29Å
26R43.1Very low44.5Very low239 Ų239126.3 Ų126.390%0.90268%0.678SS**  trans-150.174.5-176.2-159.6171.8-173.81531.3116.5S24S24-R26 PolarHBondContact O-N 3.28Å
27R36.4Very low44Very low256 Ų256127.8 Ų127.897%0.96669%0.687SS**  trans-156.7135.4148.5-105.1158.6-163.4-153.82.4109.6
28K43.7Very low43.8Very low201 Ų201131.4 Ų131.487%0.87471%0.712SS**  trans-139.2106.6-176.5-153.9-168-164.7-171.70107.8
29T37.1Very low43.7Very low135 Ų135135.2 Ų135.283%0.82874%0.739SS**  trans176143.8146.132.20000112.1
30S37.8Very low43.9Very low106 Ų106136.7 Ų136.774%0.74175%0.75SS**  trans49.3107.4148.361.50000122.4
31K38.2Very low44.9Very low192 Ų192132.8 Ų132.884%0.83574%0.737SS**  72.4119.6120-143-167.6-179.7-177.10120.7
32T38Very low46.9Very low111 Ų111134 Ų13468%0.68173%0.733SS**  trans74.1147.8150.727.30000121.7
33M38.5Very low49.1Very low182 Ų182130 Ų13090%0.89771%0.705SS**  trans69.5147.2170.9-60.1-51170.900119
34S50.6Low51.2Low117 Ų117124 Ų12482%0.81869%0.685SS**  trans-120.9117.2-166.651.90000111
35A44Very low53.4Low86 Ų86121.6 Ų121.671%0.71166%0.663SS**  trans-146142.9159.900000108.9V37A35-V37 PolarHBondContact O-N 3.43Å
36D45.6Very low55.7Low165 Ų165121 Ų12188%0.88265%0.648SS**  trans3967.3157.1-55.1-29.9000119
37V48.3Very low57.7Low103 Ų103116 Ų11662%0.62464%0.638SS**  trans-89.9119.4146.1-165.80000107.8A35 S41A35-V37 PolarHBondContact O-N 3.43Å; V37-S41 VanDerWaalsContact CG1-OG 3.24Å; V37-S41 WeakPolarHBondContact CG1-OG 3.35Å
38S51.1Low60Low84 Ų84107.5 Ų107.559%0.58761%0.612SS**  trans-51.1142.4-173-44.30000112.8D40 S41S38-D40 PolarHBondContact O-N 2.99Å; S38-S41 WeakPolarHBondContact O-CB 3.45Å; S38-S41 PolarHBondContact O-N 3.42Å; S38-S41 PolarHBondContact O-OG 3.28Å
39P53.5Low61.9Low120 Ų120102.3 Ų102.378%0.77960%0.597SS**G310 helixtrans-60-22.9-171.822.4-33.9000114.5S41 K42P39-S41 PolarHBondContact O-N 3.45Å; P39-K42 PolarHBondContact O-N 3.42Å
40D58.4Low64.1Low135 Ų13597.9 Ų97.972%0.72257%0.566SS**G310 helixtrans-70.9-5177.9-157.746.3000114.1S38S38-D40 PolarHBondContact O-N 2.99Å
41S71.5Confident66Low45 Ų4598.6 Ų98.632%0.31556%0.558SS.*G310 helixtrans-90.5-1.9178.388.70000114.7V37 S38 P39 F50V37-S41 VanDerWaalsContact CG1-OG 3.24Å; V37-S41 WeakPolarHBondContact CG1-OG 3.35Å; S38-S41 WeakPolarHBondContact O-CB 3.45Å; S38-S41 PolarHBondContact O-N 3.42Å; S38-S41 PolarHBondContact O-OG 3.28Å; P39-S41 PolarHBondContact O-N 3.45Å; S41-F50 VanDerWaalsContact C-CE2 3.49Å; S41-F50 VanDerWaalsContact O-CD2 3.29Å; S41-F50 WeakPolarHBondContact O-CD2 3.44Å; S41-F50 WeakPolarHBondContact O-CE2 3.34Å
42K86Confident68Low98 Ų9893.1 Ų93.143%0.42654%0.538SS..BIsolated β-bridgetrans-113.5150-171.4-65.3172.8-179.7178.70111.5P39 P44 F50P39-K42 PolarHBondContact O-N 3.42Å; K42-P44 WeakPolarHBondContact O-CD 3.49Å; K42-F50 VanDerWaalsContact O-CZ 3.22Å; K42-F50 WeakPolarHBondContact O-CZ 3.37Å
43C87.8Confident70.2Confident0 Ų090.6 Ų90.60%052%0.519CS..  trans-73120.6177.6175.10000111.2I45 C46 L47 D48 F50 C64C43-I45 PolarHBondContact O-N 3.42Å; C43-C46 VanDerWaalsContact CB-SG 3.56Å; C43-C46 PolarHBondContact O-N 2.9Å; C43-C46 VanDerWaalsContact SG-SG 3.64Å; C43-L47 WeakPolarHBondContact O-CA 3.45Å; C43-L47 PolarHBondContact O-N 2.8Å; C43-D48 WeakPolarHBondContact CB-O 3.23Å; C43-D48 PolarHBondContact N-O 2.95Å; C43-F50 VanDerWaalsContact CA-CE1 3.49Å; C43-F50 HydrophobicContact CB-CD1 3.88Å; C43-F50 HydrophobicContact CB-CE1 3.81Å; C43-C64 WeakPolarHBondContact CB-SG 3.23Å; C43-C64 PolarHBondContact SG-N 3.4Å
44P87.4Confident72.6Confident58 Ų5881.9 Ų81.938%0.37748%0.476SS..THydrogen-bonded Turntrans-64.2-9.2-176.8-24.134.2000115.9K42 F63 L80K42-P44 WeakPolarHBondContact O-CD 3.49Å; P44-F63 HydrophobicContact CB-CE1 4.2Å; P44-F63 HydrophobicContact CG-CD1 4.47Å; P44-F63 HydrophobicContact CG-CE1 4.14Å; P44-L80 HydrophobicContact CB-CD2 4.05Å; P44-L80 HydrophobicContact CG-CD1 4.24Å; P44-L80 HydrophobicContact CG-CD2 4.16Å; P44-L80 HydrophobicContact CG-CG 4.49Å
45I86.8Confident74.3Confident55 Ų5577 Ų7728%0.28244%0.439SS..THydrogen-bonded Turntrans-96.4-32.3179.8-56.3167.2000112.1C43 F63 C67 I68 P79C43-I45 PolarHBondContact O-N 3.42Å; I45-F63 HydrophobicContact CD1-CB 4.14Å; I45-F63 HydrophobicContact CD1-CD1 3.46Å; I45-F63 VanDerWaalsContact CD1-CD1 3.46Å; I45-F63 HydrophobicContact CD1-CE1 4.09Å; I45-F63 HydrophobicContact CD1-CG 3.9Å; I45-F63 HydrophobicContact CG1-CD1 3.69Å; I45-F63 HydrophobicContact CG1-CE1 4.07Å; I45-C67 HydrophobicContact CB-CB 3.81Å; I45-C67 HydrophobicContact CD1-CB 3.84Å; I45-C67 HydrophobicContact CG1-CB 4.44Å; I45-C67 HydrophobicContact CG2-CB 3.74Å; I45-I68 HydrophobicContact CD1-CB 4.16Å; I45-I68 HydrophobicContact CD1-CD1 4.17Å; I45-P79 HydrophobicContact CD1-CG 4.02Å; I45-P79 HydrophobicContact CG1-CG 4.08Å
46C86.8Confident76.4Confident53 Ų5372.9 Ų72.936%0.35841%0.406SS..THydrogen-bonded Turntrans-120.8-0.2-177.564.70000114.4C43 D48C43-C46 VanDerWaalsContact CB-SG 3.56Å; C43-C46 PolarHBondContact O-N 2.9Å; C43-C46 VanDerWaalsContact SG-SG 3.64Å; C46-D48 PolarHBondContact O-N 2.84Å
47L85.3Confident78Confident134 Ų13465.9 Ų65.970%0.70237%0.368SS*.SBendtrans57.711.7177.9-50.4-178.7000115.4C43C43-L47 WeakPolarHBondContact O-CA 3.45Å; C43-L47 PolarHBondContact O-N 2.8Å
48D83.3Confident79.4Confident78 Ų7868.3 Ų68.342%0.41737%0.366SS..SBendtrans-112.8171.1-177.5-177.631.7000111.1C43 C46 H51C43-D48 WeakPolarHBondContact CB-O 3.23Å; C43-D48 PolarHBondContact N-O 2.95Å; C46-D48 PolarHBondContact O-N 2.84Å; D48-H51 IonicContact OD2-CE1 3.36Å; D48-H51 PolarHBondContact OD2-CE1 3.12Å; D48-H51 VanDerWaalsContact OD2-CE1 3.24Å; D48-H51 IonicContact OD2-ND1 3.43Å; D48-H51 PolarHBondContact OD2-ND1 3.17Å
49V85Confident81Confident92 Ų9265.6 Ų65.656%0.55835%0.347SS*.BIsolated β-bridgetrans-56146.4177.4-175.80000111.5H51V49-H51 PolarHBondContact O-N 3Å; V49-H51 PolarHBondContact O-ND1 2.86Å
50F81.6Confident82.5Confident42 Ų4262.2 Ų62.218%0.18432%0.322CS..  trans-66.285.4-175.2-73.8-74.5000114.7S41 K42 C43 N52 M53 K62S41-F50 VanDerWaalsContact C-CE2 3.49Å; S41-F50 VanDerWaalsContact O-CD2 3.29Å; S41-F50 WeakPolarHBondContact O-CD2 3.44Å; S41-F50 WeakPolarHBondContact O-CE2 3.34Å; K42-F50 VanDerWaalsContact O-CZ 3.22Å; K42-F50 WeakPolarHBondContact O-CZ 3.37Å; C43-F50 VanDerWaalsContact CA-CE1 3.49Å; C43-F50 HydrophobicContact CB-CD1 3.88Å; C43-F50 HydrophobicContact CB-CE1 3.81Å; F50-N52 PolarHBondContact O-N 3.43Å; F50-M53 HydrophobicContact CB-CB 4.16Å; F50-M53 HydrophobicContact CB-CG 4.44Å; F50-M53 HydrophobicContact CD1-CG 4.37Å; F50-M53 HydrophobicContact CG-CG 4.44Å; F50-K62 HydrophobicContact CE1-CB 3.85Å; F50-K62 HydrophobicContact CZ-CB 3.86Å
51H77.8Confident83.9Confident121 Ų12158.7 Ų58.756%0.5630%0.301SS*.THydrogen-bonded Turntrans-73108.1170.5-71.186.1000111.4D48 V49 C64D48-H51 IonicContact OD2-CE1 3.36Å; D48-H51 PolarHBondContact OD2-CE1 3.12Å; D48-H51 VanDerWaalsContact OD2-CE1 3.24Å; D48-H51 IonicContact OD2-ND1 3.43Å; D48-H51 PolarHBondContact OD2-ND1 3.17Å; V49-H51 PolarHBondContact O-N 3Å; V49-H51 PolarHBondContact O-ND1 2.86Å; H51-C64 PolarHBondContact N-SG 3.38Å; H51-C64 WeakPolarHBondContact O-CA 3.47Å; H51-C64 WeakPolarHBondContact O-CB 3.42Å
52N80.3Confident84.7Confident77 Ų7760.2 Ų60.241%0.41230%0.302SS..THydrogen-bonded Turntrans54.672.9-172.9-173.21.4000111.1F50 F65 S91F50-N52 PolarHBondContact O-N 3.43Å; N52-F65 HydrophobicContact CB-CB 4.24Å; N52-F65 WeakPolarHBondContact O-CB 3.5Å; N52-F65 PolarHBondContact O-N 2.97Å; N52-S91 WeakPolarHBondContact OD1-CA 3.46Å; N52-S91 PolarHBondContact OD1-N 3.26Å
53M85.3Confident85Confident57 Ų5755.6 Ų55.628%0.28128%0.282SS..EExtended strand (participates in β ladder)trans-55135.9-179.5-172.5169.156.500111.7A17 F50 Y55 K62A17-M53 HydrophobicContact CB-CE 4.41Å; F50-M53 HydrophobicContact CB-CB 4.16Å; F50-M53 HydrophobicContact CB-CG 4.44Å; F50-M53 HydrophobicContact CD1-CG 4.37Å; F50-M53 HydrophobicContact CG-CG 4.44Å; M53-Y55 HydrophobicContact CE-CE2 4.09Å; M53-Y55 WeakPolarHBondContact CE-OH 3.29Å; M53-Y55 HydrophobicContact CG-CE2 3.82Å; M53-Y55 HydrophobicContact SD-CE2 4.19Å; M53-Y55 PolarHBondContact SD-OH 3.38Å; M53-Y55 VanDerWaalsContact SD-OH 3.4Å; M53-K62 HydrophobicContact SD-CD 4.33Å
54S88.2Confident85.1Confident0 Ų055.8 Ų55.80%028%0.283CS..EExtended strand (participates in β ladder)trans-141.2153-173.364.40000112.4K62 F63 F65 I68 Y89S54-K62 WeakPolarHBondContact O-CA 3.05Å; S54-F63 PolarHBondContact N-O 3.34Å; S54-F63 PolarHBondContact O-N 2.86Å; S54-F63 PolarHBondContact OG-O 2.84Å; S54-F65 WeakPolarHBondContact OG-CA 3.36Å; S54-F65 PolarHBondContact OG-N 3.28Å; S54-I68 VanDerWaalsContact OG-CG2 3.29Å; S54-I68 WeakPolarHBondContact OG-CG2 3.49Å; S54-Y89 CarbonylContact C-O 3.37Å; S54-Y89 WeakPolarHBondContact CA-O 3.49Å; S54-Y89 WeakPolarHBondContact CB-O 3.43Å
55Y86.3Confident85.2Confident13 Ų1354.3 Ų54.35%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-128.2143.9-169.5-68.7-100.8000111.1A17 M53 L60 K62 Y89 I92A17-Y55 HydrophobicContact CB-CE2 4.33Å; A17-Y55 WeakPolarHBondContact CB-OH 3.33Å; M53-Y55 HydrophobicContact CE-CE2 4.09Å; M53-Y55 WeakPolarHBondContact CE-OH 3.29Å; M53-Y55 HydrophobicContact CG-CE2 3.82Å; M53-Y55 HydrophobicContact SD-CE2 4.19Å; M53-Y55 PolarHBondContact SD-OH 3.38Å; M53-Y55 VanDerWaalsContact SD-OH 3.4Å; Y55-L60 VanDerWaalsContact CD1-O 3.29Å; Y55-L60 WeakPolarHBondContact CD1-O 3.35Å; Y55-K62 HydrophobicContact CD1-CG 4.44Å; Y55-K62 HydrophobicContact CE1-CG 3.72Å; Y55-Y89 PolarHBondContact N-O 3.42Å; Y55-Y89 PolarHBondContact O-N 3.11Å; Y55-I92 HydrophobicContact CD2-CD1 3.49Å; Y55-I92 VanDerWaalsContact CD2-CD1 3.49Å; Y55-I92 HydrophobicContact CE2-CD1 3.73Å
56L87.4Confident85.3Confident0 Ų061.7 Ų61.70%030%0.295CS..EExtended strand (participates in β ladder)trans-96.8128.7-178.7-67.6-175.7000113.4R58 C59 L60 F63 I68 C78 F85 I88L56-R58 VanDerWaalsContact C-N 3.26Å; L56-R58 PolarHBondContact O-N 3.2Å; L56-C59 PolarHBondContact O-N 2.83Å; L56-C59 VanDerWaalsContact O-N 3.15Å; L56-L60 WeakPolarHBondContact O-CA 3.15Å; L56-L60 PolarHBondContact O-N 2.96Å; L56-F63 HydrophobicContact CD1-CD2 4.2Å; L56-F63 HydrophobicContact CD1-CE2 3.7Å; L56-F63 HydrophobicContact CG-CD2 4.29Å; L56-F63 HydrophobicContact CG-CE2 4.21Å; L56-I68 HydrophobicContact CD1-CD1 4.11Å; L56-I68 HydrophobicContact CD1-CG1 4.29Å; L56-I68 HydrophobicContact CD2-CD1 4.3Å; L56-I68 HydrophobicContact CD2-CG1 3.66Å; L56-I68 HydrophobicContact CG-CG1 4.27Å; L56-C78 HydrophobicContact CD1-CB 3.62Å; L56-F85 HydrophobicContact CB-CB 4.42Å; L56-F85 HydrophobicContact CD1-CD1 3.7Å; L56-F85 HydrophobicContact CD1-CE1 3.86Å; L56-F85 HydrophobicContact CD1-CG 4.21Å; L56-F85 HydrophobicContact CD2-CB 4.27Å; L56-F85 HydrophobicContact CD2-CD1 3.86Å; L56-F85 HydrophobicContact CD2-CD2 3.5Å; L56-F85 HydrophobicContact CD2-CE1 3.94Å; L56-F85 HydrophobicContact CD2-CE2 3.6Å; L56-F85 HydrophobicContact CD2-CG 3.63Å; L56-F85 HydrophobicContact CD2-CZ 3.81Å; L56-F85 HydrophobicContact CG-CD1 4.32Å; L56-F85 HydrophobicContact CG-CG 4.36Å; L56-I88 HydrophobicContact CD2-CG1 4.1Å
57D79.4Confident85.4Confident18 Ų1860.5 Ų60.510%0.09629%0.288CS..THydrogen-bonded Turntrans-34.6-46.7-178.6-160.4-9.1000115.9Q6 S86 S87 Y89Q6-D57 PolarHBondContact NE2-O 3Å; D57-S86 PolarHBondContact OD2-OG 2.82Å; D57-S87 WeakPolarHBondContact CB-O 3.5Å; D57-S87 PolarHBondContact N-O 2.89Å; D57-S87 WeakPolarHBondContact OD2-CB 3.28Å; D57-S87 PolarHBondContact OD2-N 3.36Å; D57-S87 PolarHBondContact OD2-OG 2.74Å; D57-Y89 HydrophobicContact CB-CE2 4.27Å
58R78.9Confident85.6Confident154 Ų15454.1 Ų54.158%0.58125%0.254SS*.THydrogen-bonded Turntrans-102.6-15.8-172.2-57.6-160-172.9177.3-0.9116.2L56 P84L56-R58 VanDerWaalsContact C-N 3.26Å; L56-R58 PolarHBondContact O-N 3.2Å; R58-P84 VanDerWaalsContact CD-O 3.28Å; R58-P84 WeakPolarHBondContact CD-O 3.24Å
59C84.4Confident85.8Confident28 Ų2852.2 Ų52.219%0.18924%0.243CC..THydrogen-bonded Turntrans-139.1-5.5-170.964.20000114.9L56 H61 Q83L56-C59 PolarHBondContact O-N 2.83Å; L56-C59 VanDerWaalsContact O-N 3.15Å; C59-H61 PolarHBondContact O-N 3.22Å; C59-H61 PolarHBondContact SG-ND1 3.12Å; C59-H61 VanDerWaalsContact SG-ND1 3.42Å; C59-Q83 HydrophobicContact CB-CB 4.38Å
60L85.1Confident86Confident48 Ų4852.8 Ų52.825%0.25124%0.24SC..  trans54.517171.1-56.9171.1000115.7I10 A13 Y55 L56I10-L60 HydrophobicContact CG1-CD2 4.45Å; A13-L60 HydrophobicContact CB-CD1 3.84Å; Y55-L60 VanDerWaalsContact CD1-O 3.29Å; Y55-L60 WeakPolarHBondContact CD1-O 3.35Å; L56-L60 WeakPolarHBondContact O-CA 3.15Å; L56-L60 PolarHBondContact O-N 2.96Å
61H87.4Confident86.3Confident62 Ų6255.8 Ų55.829%0.28725%0.25SS..  trans-65.3141.7172.3-70.6115.4000111.6C59 F63 C78 L80 C81C59-H61 PolarHBondContact O-N 3.22Å; C59-H61 PolarHBondContact SG-ND1 3.12Å; C59-H61 VanDerWaalsContact SG-ND1 3.42Å; H61-F63 HydrophobicContact CB-CE2 3.64Å; H61-F63 HydrophobicContact CB-CZ 3.96Å; H61-C78 PolarHBondContact ND1-SG 2.94Å; H61-C78 VanDerWaalsContact ND1-SG 3.45Å; H61-L80 HydrophobicContact CB-CD1 4.11Å; H61-C81 PolarHBondContact CE1-SG 2.93Å; H61-C81 PolarHBondContact ND1-SG 2.99Å; H61-C81 VanDerWaalsContact ND1-SG 3.42Å
62K88.9Confident86.7Confident77 Ų7750.7 Ų50.734%0.33523%0.228SC..EExtended strand (participates in β ladder)trans-90.5130.6-171.3-58.1170.1-171.2162.90111.3F50 M53 S54 Y55F50-K62 HydrophobicContact CE1-CB 3.85Å; F50-K62 HydrophobicContact CZ-CB 3.86Å; M53-K62 HydrophobicContact SD-CD 4.33Å; S54-K62 WeakPolarHBondContact O-CA 3.05Å; Y55-K62 HydrophobicContact CD1-CG 4.44Å; Y55-K62 HydrophobicContact CE1-CG 3.72Å
63F91.2Very high86.9Confident0 Ų053.4 Ų53.40%024%0.237CC..EExtended strand (participates in β ladder)trans-145.2160.2174.1-56.9-75.7000111.3P44 I45 S54 L56 H61 I68 P79 L80P44-F63 HydrophobicContact CB-CE1 4.2Å; P44-F63 HydrophobicContact CG-CD1 4.47Å; P44-F63 HydrophobicContact CG-CE1 4.14Å; I45-F63 HydrophobicContact CD1-CB 4.14Å; I45-F63 HydrophobicContact CD1-CD1 3.46Å; I45-F63 VanDerWaalsContact CD1-CD1 3.46Å; I45-F63 HydrophobicContact CD1-CE1 4.09Å; I45-F63 HydrophobicContact CD1-CG 3.9Å; I45-F63 HydrophobicContact CG1-CD1 3.69Å; I45-F63 HydrophobicContact CG1-CE1 4.07Å; S54-F63 PolarHBondContact N-O 3.34Å; S54-F63 PolarHBondContact O-N 2.86Å; S54-F63 PolarHBondContact OG-O 2.84Å; L56-F63 HydrophobicContact CD1-CD2 4.2Å; L56-F63 HydrophobicContact CD1-CE2 3.7Å; L56-F63 HydrophobicContact CG-CD2 4.29Å; L56-F63 HydrophobicContact CG-CE2 4.21Å; H61-F63 HydrophobicContact CB-CE2 3.64Å; H61-F63 HydrophobicContact CB-CZ 3.96Å; F63-I68 HydrophobicContact CB-CB 3.73Å; F63-I68 HydrophobicContact CB-CG1 4.41Å; F63-I68 HydrophobicContact CB-CG2 3.99Å; F63-I68 HydrophobicContact CD2-CB 4.18Å; F63-I68 HydrophobicContact CD2-CD1 3.95Å; F63-I68 HydrophobicContact CD2-CG1 3.91Å; F63-I68 HydrophobicContact CE2-CD1 4.2Å; F63-I68 HydrophobicContact CG-CB 4.08Å; F63-I68 HydrophobicContact CG-CD1 4.32Å; F63-I68 HydrophobicContact CG-CG1 4.29Å; F63-P79 HydrophobicContact CE1-CB 4.11Å; F63-P79 HydrophobicContact CE1-CG 3.9Å; F63-P79 HydrophobicContact CZ-CB 4.19Å; F63-P79 HydrophobicContact CZ-CG 3.94Å; F63-L80 HydrophobicContact CE1-CG 4.29Å; F63-L80 HydrophobicContact CZ-CD1 4.23Å; F63-L80 HydrophobicContact CZ-CG 4.03Å
64C90.5Very high86.8Confident4 Ų457.6 Ų57.63%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-64.6132.4162.4-61.70000109.5C43 H51 R66 C67 I68C43-C64 WeakPolarHBondContact CB-SG 3.23Å; C43-C64 PolarHBondContact SG-N 3.4Å; H51-C64 PolarHBondContact N-SG 3.38Å; H51-C64 WeakPolarHBondContact O-CA 3.47Å; H51-C64 WeakPolarHBondContact O-CB 3.42Å; C64-R66 VanDerWaalsContact C-N 3.31Å; C64-R66 PolarHBondContact O-N 2.71Å; C64-C67 HydrophobicContact CB-CB 4.11Å; C64-C67 WeakPolarHBondContact O-CB 3.47Å; C64-C67 PolarHBondContact O-N 2.78Å; C64-I68 PolarHBondContact O-N 3.15Å; C64-I68 VanDerWaalsContact O-N 3.12Å
65F89.3Confident86.5Confident27 Ų2762.5 Ų62.512%0.11828%0.281CS..Hα-helixtrans-53.2-46.2-175.2175-124.2000112.7N52 S54 C67 L69 I88 H90 Y101N52-F65 HydrophobicContact CB-CB 4.24Å; N52-F65 WeakPolarHBondContact O-CB 3.5Å; N52-F65 PolarHBondContact O-N 2.97Å; S54-F65 WeakPolarHBondContact OG-CA 3.36Å; S54-F65 PolarHBondContact OG-N 3.28Å; F65-C67 VanDerWaalsContact C-N 3.3Å; F65-C67 PolarHBondContact O-N 2.86Å; F65-L69 HydrophobicContact CE1-CD2 4.14Å; F65-L69 HydrophobicContact CE2-CB 4.33Å; F65-L69 HydrophobicContact CE2-CD2 4.41Å; F65-L69 HydrophobicContact CZ-CD2 3.89Å; F65-L69 WeakPolarHBondContact O-CB 3.45Å; F65-L69 PolarHBondContact O-N 2.92Å; F65-I88 HydrophobicContact CD2-CG2 3.78Å; F65-I88 HydrophobicContact CE2-CB 4.41Å; F65-I88 HydrophobicContact CE2-CG2 4.01Å; F65-H90 HydrophobicContact CB-CB 3.95Å; F65-H90 HydrophobicContact CD1-CB 4.32Å; F65-H90 HydrophobicContact CD2-CB 3.46Å; F65-H90 VanDerWaalsContact CD2-CB 3.46Å; F65-H90 AromaticContact CD2-CD2 3.69Å; F65-H90 AromaticContact CD2-CG 3.57Å; F65-H90 AromaticContact CE1-CE1 3.9Å; F65-H90 AromaticContact CE1-ND1 3.93Å; F65-H90 HydrophobicContact CE2-CB 4.01Å; F65-H90 AromaticContact CE2-CD2 3.24Å; F65-H90 WeakPolarHBondContact CE2-CD2 3.24Å; F65-H90 AromaticContact CE2-CG 3.61Å; F65-H90 AromaticContact CE2-NE2 3.78Å; F65-H90 HydrophobicContact CG-CB 3.64Å; F65-H90 AromaticContact CG-CG 3.8Å; F65-H90 AromaticContact CZ-CD2 3.48Å; F65-H90 VanDerWaalsContact CZ-CD2 3.48Å; F65-H90 WeakPolarHBondContact CZ-CD2 3.47Å; F65-H90 AromaticContact CZ-CE1 3.85Å; F65-H90 AromaticContact CZ-CG 3.85Å; F65-H90 AromaticContact CZ-NE2 3.48Å; F65-H90 WeakPolarHBondContact CZ-NE2 3.43Å; F65-Y101 HydrophobicContact CE2-CG 4.38Å; F65-Y101 HydrophobicContact CZ-CD2 4.35Å; F65-Y101 HydrophobicContact CZ-CG 4.3Å
66R88.3Confident86.5Confident210 Ų21064.7 Ų64.779%0.79230%0.297SS*.Hα-helixtrans-58.9-41177.7-69.8-177.465.4-175.5-1.4112.2C64 E70C64-R66 VanDerWaalsContact C-N 3.31Å; C64-R66 PolarHBondContact O-N 2.71Å; R66-E70 WeakPolarHBondContact O-CB 3.1Å; R66-E70 PolarHBondContact O-N 2.88Å
67C88.8Confident86.7Confident29 Ų2967.3 Ų67.320%0.19631%0.309CS..Hα-helixtrans-69.6-46.9-176.2-61.30000112I45 C64 F65 E70 W71I45-C67 HydrophobicContact CB-CB 3.81Å; I45-C67 HydrophobicContact CD1-CB 3.84Å; I45-C67 HydrophobicContact CG1-CB 4.44Å; I45-C67 HydrophobicContact CG2-CB 3.74Å; C64-C67 HydrophobicContact CB-CB 4.11Å; C64-C67 WeakPolarHBondContact O-CB 3.47Å; C64-C67 PolarHBondContact O-N 2.78Å; F65-C67 VanDerWaalsContact C-N 3.3Å; F65-C67 PolarHBondContact O-N 2.86Å; C67-E70 PolarHBondContact O-N 2.96Å; C67-W71 WeakPolarHBondContact O-CB 3.35Å; C67-W71 PolarHBondContact O-N 3.04Å
68I90.3Very high87.2Confident0 Ų066.5 Ų66.50%031%0.305CS..Hα-helixtrans-75.2-28.6179.3-167.258.8000112.4I45 S54 L56 F63 C64 W71 S72 P79 F85 I88I45-I68 HydrophobicContact CD1-CB 4.16Å; I45-I68 HydrophobicContact CD1-CD1 4.17Å; S54-I68 VanDerWaalsContact OG-CG2 3.29Å; S54-I68 WeakPolarHBondContact OG-CG2 3.49Å; L56-I68 HydrophobicContact CD1-CD1 4.11Å; L56-I68 HydrophobicContact CD1-CG1 4.29Å; L56-I68 HydrophobicContact CD2-CD1 4.3Å; L56-I68 HydrophobicContact CD2-CG1 3.66Å; L56-I68 HydrophobicContact CG-CG1 4.27Å; F63-I68 HydrophobicContact CB-CB 3.73Å; F63-I68 HydrophobicContact CB-CG1 4.41Å; F63-I68 HydrophobicContact CB-CG2 3.99Å; F63-I68 HydrophobicContact CD2-CB 4.18Å; F63-I68 HydrophobicContact CD2-CD1 3.95Å; F63-I68 HydrophobicContact CD2-CG1 3.91Å; F63-I68 HydrophobicContact CE2-CD1 4.2Å; F63-I68 HydrophobicContact CG-CB 4.08Å; F63-I68 HydrophobicContact CG-CD1 4.32Å; F63-I68 HydrophobicContact CG-CG1 4.29Å; C64-I68 PolarHBondContact O-N 3.15Å; C64-I68 VanDerWaalsContact O-N 3.12Å; I68-W71 HydrophobicContact CD1-CB 4.34Å; I68-W71 HydrophobicContact CD1-CG 4.38Å; I68-S72 WeakPolarHBondContact O-CB 3.28Å; I68-S72 PolarHBondContact O-N 3Å; I68-P79 HydrophobicContact CD1-CG 4.18Å; I68-F85 HydrophobicContact CD1-CE1 3.99Å; I68-F85 HydrophobicContact CD1-CZ 3.79Å; I68-F85 HydrophobicContact CG1-CE1 4.47Å; I68-F85 HydrophobicContact CG1-CE2 4.49Å; I68-F85 HydrophobicContact CG1-CZ 3.91Å; I68-I88 HydrophobicContact CG2-CD1 4.33Å; I68-I88 HydrophobicContact CG2-CG2 3.82Å
69L88.1Confident87.7Confident37 Ų3761.1 Ų61.119%0.19429%0.29CS..Hα-helixtrans-64.5-46.8169.7-179.664.9000111.3F65 S72 K73 I88 Y101F65-L69 HydrophobicContact CE1-CD2 4.14Å; F65-L69 HydrophobicContact CE2-CB 4.33Å; F65-L69 HydrophobicContact CE2-CD2 4.41Å; F65-L69 HydrophobicContact CZ-CD2 3.89Å; F65-L69 WeakPolarHBondContact O-CB 3.45Å; F65-L69 PolarHBondContact O-N 2.92Å; L69-S72 PolarHBondContact O-N 3.32Å; L69-S72 PolarHBondContact O-OG 3.31Å; L69-K73 PolarHBondContact O-N 3.25Å; L69-I88 HydrophobicContact CB-CD1 4.31Å; L69-I88 HydrophobicContact CD1-CD1 4.18Å; L69-Y101 HydrophobicContact CD1-CD1 3.84Å; L69-Y101 HydrophobicContact CD1-CE1 3.37Å
70E87.9Confident87.8Confident104 Ų10464.4 Ų64.449%0.48631%0.305SS..Hα-helixtrans-63-45.6177.2-157.462.5-137.200111.2R66 C67 S72 K73R66-E70 WeakPolarHBondContact O-CB 3.1Å; R66-E70 PolarHBondContact O-N 2.88Å; C67-E70 PolarHBondContact O-N 2.96Å; E70-S72 VanDerWaalsContact C-N 3.31Å; E70-S72 PolarHBondContact O-N 2.87Å; E70-K73 WeakPolarHBondContact O-CB 2.98Å; E70-K73 PolarHBondContact O-N 2.66Å; E70-K73 WeakPolarHBondContact OE1-CD 3.39Å; E70-K73 WeakPolarHBondContact OE1-CE 3.4Å; E70-K73 IonicContact OE1-NZ 3.72Å; E70-K73 PolarHBondContact OE1-NZ 2.97Å; E70-K73 WeakPolarHBondContact OE2-CE 3.35Å; E70-K73 IonicContact OE2-NZ 3.24Å; E70-K73 PolarHBondContact OE2-NZ 2.93Å
71W88.3Confident87.8Confident106 Ų10664.3 Ų64.340%0.40231%0.308SS..Hα-helixtrans-55.6-43.4173.8-176-89.2000112.4C67 I68 K73 N74 K75 E77 P79C67-W71 WeakPolarHBondContact O-CB 3.35Å; C67-W71 PolarHBondContact O-N 3.04Å; I68-W71 HydrophobicContact CD1-CB 4.34Å; I68-W71 HydrophobicContact CD1-CG 4.38Å; W71-K73 PolarHBondContact O-N 3.45Å; W71-K73 VanDerWaalsContact O-N 3.17Å; W71-N74 PolarHBondContact O-N 3.41Å; W71-K75 VanDerWaalsContact CD1-O 3.31Å; W71-K75 PolarHBondContact O-N 3.29Å; W71-E77 PolarHBondContact NE1-O 2.83Å; W71-P79 HydrophobicContact CD2-CG 4.05Å; W71-P79 HydrophobicContact CG-CG 4.28Å; W71-P79 HydrophobicContact CZ2-CB 4.38Å; W71-P79 HydrophobicContact CZ2-CG 4.17Å
72S87Confident87.8Confident14 Ų1469 Ų6910%0.09833%0.327CS..Hα-helixtrans-61.7-23.9-178.877.40000114.4I68 L69 E70 N74 L103I68-S72 WeakPolarHBondContact O-CB 3.28Å; I68-S72 PolarHBondContact O-N 3Å; L69-S72 PolarHBondContact O-N 3.32Å; L69-S72 PolarHBondContact O-OG 3.31Å; E70-S72 VanDerWaalsContact C-N 3.31Å; E70-S72 PolarHBondContact O-N 2.87Å; S72-N74 VanDerWaalsContact C-N 3.32Å; S72-L103 WeakPolarHBondContact OG-CD2 3.36Å
73K84.4Confident87.6Confident134 Ų13470 Ų7058%0.58333%0.333SS*.Hα-helixtrans-67.1-34.4174.3-56.9-179.9-166.3168.20112.1L69 E70 W71L69-K73 PolarHBondContact O-N 3.25Å; E70-K73 WeakPolarHBondContact O-CB 2.98Å; E70-K73 PolarHBondContact O-N 2.66Å; E70-K73 WeakPolarHBondContact OE1-CD 3.39Å; E70-K73 WeakPolarHBondContact OE1-CE 3.4Å; E70-K73 IonicContact OE1-NZ 3.72Å; E70-K73 PolarHBondContact OE1-NZ 2.97Å; E70-K73 WeakPolarHBondContact OE2-CE 3.35Å; E70-K73 IonicContact OE2-NZ 3.24Å; E70-K73 PolarHBondContact OE2-NZ 2.93Å; W71-K73 PolarHBondContact O-N 3.45Å; W71-K73 VanDerWaalsContact O-N 3.17Å
74N82.8Confident87.4Confident144 Ų14472.9 Ų72.977%0.7735%0.352SS*.Hα-helixtrans-88.1-47.1-179.5-65.5-20.1000111W71 S72W71-N74 PolarHBondContact O-N 3.41Å; S72-N74 VanDerWaalsContact C-N 3.32Å
75K81.9Confident87.2Confident104 Ų10473.1 Ų73.145%0.45235%0.353SS..  trans-152.6118.4176.4-149-176.8-165.1-152.90110.8W71 E77W71-K75 VanDerWaalsContact CD1-O 3.31Å; W71-K75 PolarHBondContact O-N 3.29Å; K75-E77 HydrophobicContact CD-CB 4.36Å; K75-E77 HydrophobicContact CD-CG 4.33Å; K75-E77 WeakPolarHBondContact CE-OE1 3.35Å; K75-E77 WeakPolarHBondContact CE-OE2 3.25Å; K75-E77 HydrophobicContact CG-CB 4.39Å; K75-E77 HydrophobicContact CG-CG 4.31Å; K75-E77 IonicContact NZ-OE1 3.03Å; K75-E77 PolarHBondContact NZ-OE1 3.36Å; K75-E77 IonicContact NZ-OE2 3.63Å; K75-E77 PolarHBondContact NZ-OE2 2.91Å; K75-E77 PolarHBondContact O-N 3.03Å
76P85.9Confident86.9Confident59 Ų5974.2 Ų74.238%0.38336%0.364SS..  trans-79.553.1177.534.5-37.1000111.9P84 F85 L103P76-P84 CarbonylContact O-C 3.45Å; P76-P84 VanDerWaalsContact O-CA 3.25Å; P76-P84 WeakPolarHBondContact O-CA 3.48Å; P76-F85 VanDerWaalsContact C-CE1 3.49Å; P76-F85 WeakPolarHBondContact O-CD1 3.32Å; P76-F85 PolarHBondContact O-N 2.94Å; P76-L103 HydrophobicContact CB-CD1 3.56Å
77E92.1Very high86.8Confident54 Ų5464.3 Ų64.325%0.25233%0.327SS..BIsolated β-bridgetrans-124.6139.5176.3-76.2174.7-15300110.2W71 K75 P79 Q83 P84 F85W71-E77 PolarHBondContact NE1-O 2.83Å; K75-E77 HydrophobicContact CD-CB 4.36Å; K75-E77 HydrophobicContact CD-CG 4.33Å; K75-E77 WeakPolarHBondContact CE-OE1 3.35Å; K75-E77 WeakPolarHBondContact CE-OE2 3.25Å; K75-E77 HydrophobicContact CG-CB 4.39Å; K75-E77 HydrophobicContact CG-CG 4.31Å; K75-E77 IonicContact NZ-OE1 3.03Å; K75-E77 PolarHBondContact NZ-OE1 3.36Å; K75-E77 IonicContact NZ-OE2 3.63Å; K75-E77 PolarHBondContact NZ-OE2 2.91Å; K75-E77 PolarHBondContact O-N 3.03Å; E77-P79 WeakPolarHBondContact O-CD 3.44Å; E77-Q83 WeakPolarHBondContact CA-O 3.48Å; E77-P84 HydrophobicContact CG-CB 4.34Å; E77-F85 VanDerWaalsContact C-CE1 3.49Å
78C90.1Very high86.9Confident1 Ų162.9 Ų62.91%0.00732%0.317CS..  trans-61.8127.2179.8178.30000111.8L56 H61 L80 C81 K82 Q83L56-C78 HydrophobicContact CD1-CB 3.62Å; H61-C78 PolarHBondContact ND1-SG 2.94Å; H61-C78 VanDerWaalsContact ND1-SG 3.45Å; C78-L80 VanDerWaalsContact C-N 3.27Å; C78-L80 PolarHBondContact O-N 2.86Å; C78-L80 PolarHBondContact SG-N 2.8Å; C78-C81 VanDerWaalsContact SG-SG 3.67Å; C78-K82 VanDerWaalsContact O-CA 3.23Å; C78-K82 WeakPolarHBondContact O-CA 3.44Å; C78-K82 PolarHBondContact O-N 2.69Å; C78-Q83 PolarHBondContact N-O 3.01Å
79P88.3Confident86.7Confident41 Ų4164 Ų6427%0.26632%0.321SS..THydrogen-bonded Turntrans-52.6-38.4175.3-28.232.8000114.8I45 F63 I68 W71 E77I45-P79 HydrophobicContact CD1-CG 4.02Å; I45-P79 HydrophobicContact CG1-CG 4.08Å; F63-P79 HydrophobicContact CE1-CB 4.11Å; F63-P79 HydrophobicContact CE1-CG 3.9Å; F63-P79 HydrophobicContact CZ-CB 4.19Å; F63-P79 HydrophobicContact CZ-CG 3.94Å; I68-P79 HydrophobicContact CD1-CG 4.18Å; W71-P79 HydrophobicContact CD2-CG 4.05Å; W71-P79 HydrophobicContact CG-CG 4.28Å; W71-P79 HydrophobicContact CZ2-CB 4.38Å; W71-P79 HydrophobicContact CZ2-CG 4.17Å; E77-P79 WeakPolarHBondContact O-CD 3.44Å
80L86.3Confident86.7Confident97 Ų9763 Ų6351%0.50832%0.316SS..THydrogen-bonded Turntrans-80.7-39.4-174.2-65.1179.6000113.9P44 H61 F63 C78P44-L80 HydrophobicContact CB-CD2 4.05Å; P44-L80 HydrophobicContact CG-CD1 4.24Å; P44-L80 HydrophobicContact CG-CD2 4.16Å; P44-L80 HydrophobicContact CG-CG 4.49Å; H61-L80 HydrophobicContact CB-CD1 4.11Å; F63-L80 HydrophobicContact CE1-CG 4.29Å; F63-L80 HydrophobicContact CZ-CD1 4.23Å; F63-L80 HydrophobicContact CZ-CG 4.03Å; C78-L80 VanDerWaalsContact C-N 3.27Å; C78-L80 PolarHBondContact O-N 2.86Å; C78-L80 PolarHBondContact SG-N 2.8Å
81C86.9Confident86.2Confident46 Ų4659.7 Ų59.731%0.31130%0.304SS..THydrogen-bonded Turntrans-126.55.3-171.569.10000115H61 C78 Q83H61-C81 PolarHBondContact CE1-SG 2.93Å; H61-C81 PolarHBondContact ND1-SG 2.99Å; H61-C81 VanDerWaalsContact ND1-SG 3.42Å; C78-C81 VanDerWaalsContact SG-SG 3.67Å; C81-Q83 HydrophobicContact CB-CG 4.48Å; C81-Q83 PolarHBondContact O-N 2.86Å
82K87.4Confident85.7Confident160 Ų16056.2 Ų56.270%0.69629%0.293SS*.  trans58.29.6178.4-55.4173-175.2172.40115.1C78C78-K82 VanDerWaalsContact O-CA 3.23Å; C78-K82 WeakPolarHBondContact O-CA 3.44Å; C78-K82 PolarHBondContact O-N 2.69Å
83Q83.6Confident84.6Confident99 Ų9963.3 Ų63.346%0.46332%0.322SS..  trans-70130.4177.3-71.6-63.1-36.800111.1C59 E77 C78 C81C59-Q83 HydrophobicContact CB-CB 4.38Å; E77-Q83 WeakPolarHBondContact CA-O 3.48Å; C78-Q83 PolarHBondContact N-O 3.01Å; C81-Q83 HydrophobicContact CB-CG 4.48Å; C81-Q83 PolarHBondContact O-N 2.86Å
84P86.9Confident83.4Confident60 Ų6058.6 Ų58.639%0.3931%0.306SS..BIsolated β-bridgetrans-69.5141.4177.428.9-34.6000111.2R58 P76 E77R58-P84 VanDerWaalsContact CD-O 3.28Å; R58-P84 WeakPolarHBondContact CD-O 3.24Å; P76-P84 CarbonylContact O-C 3.45Å; P76-P84 VanDerWaalsContact O-CA 3.25Å; P76-P84 WeakPolarHBondContact O-CA 3.48Å; E77-P84 HydrophobicContact CG-CB 4.34Å
85F86.6Confident82.3Confident9 Ų953.9 Ų53.94%0.03928%0.281CS..  trans-126143.7179.762.6-91.1000112.6L56 I68 P76 E77 I88 L103L56-F85 HydrophobicContact CB-CB 4.42Å; L56-F85 HydrophobicContact CD1-CD1 3.7Å; L56-F85 HydrophobicContact CD1-CE1 3.86Å; L56-F85 HydrophobicContact CD1-CG 4.21Å; L56-F85 HydrophobicContact CD2-CB 4.27Å; L56-F85 HydrophobicContact CD2-CD1 3.86Å; L56-F85 HydrophobicContact CD2-CD2 3.5Å; L56-F85 HydrophobicContact CD2-CE1 3.94Å; L56-F85 HydrophobicContact CD2-CE2 3.6Å; L56-F85 HydrophobicContact CD2-CG 3.63Å; L56-F85 HydrophobicContact CD2-CZ 3.81Å; L56-F85 HydrophobicContact CG-CD1 4.32Å; L56-F85 HydrophobicContact CG-CG 4.36Å; I68-F85 HydrophobicContact CD1-CE1 3.99Å; I68-F85 HydrophobicContact CD1-CZ 3.79Å; I68-F85 HydrophobicContact CG1-CE1 4.47Å; I68-F85 HydrophobicContact CG1-CE2 4.49Å; I68-F85 HydrophobicContact CG1-CZ 3.91Å; P76-F85 VanDerWaalsContact C-CE1 3.49Å; P76-F85 WeakPolarHBondContact O-CD1 3.32Å; P76-F85 PolarHBondContact O-N 2.94Å; E77-F85 VanDerWaalsContact C-CE1 3.49Å; F85-I88 HydrophobicContact CD2-CG1 4.07Å; F85-I88 HydrophobicContact CE2-CD1 3.97Å; F85-I88 HydrophobicContact CE2-CG1 3.62Å; F85-L103 HydrophobicContact CD2-CD1 3.82Å; F85-L103 HydrophobicContact CD2-CG 4.5Å; F85-L103 HydrophobicContact CE2-CD1 3.71Å; F85-L103 HydrophobicContact CE2-CG 4.4Å; F85-L103 WeakPolarHBondContact O-CD1 3.38Å
86S83.1Confident81.1Confident50 Ų5056.8 Ų56.835%0.3530%0.296SS..SBendtrans-98.4-22.5178.623.90000112.9D57 L103D57-S86 PolarHBondContact OD2-OG 2.82Å; S86-L103 WeakPolarHBondContact O-CB 3.43Å; S86-L103 PolarHBondContact O-N 3.45Å
87S86.8Confident80.1Confident2 Ų258.7 Ų58.71%0.01430%0.303CS..EExtended strand (participates in β ladder)trans-142.4147.9-171.9-35.60000111.6D57 K100 Y101D57-S87 WeakPolarHBondContact CB-O 3.5Å; D57-S87 PolarHBondContact N-O 2.89Å; D57-S87 WeakPolarHBondContact OD2-CB 3.28Å; D57-S87 PolarHBondContact OD2-N 3.36Å; D57-S87 PolarHBondContact OD2-OG 2.74Å; S87-K100 WeakPolarHBondContact OG-CE 3.45Å; S87-Y101 WeakPolarHBondContact CA-O 3.1Å
88I90.4Very high79.5Confident0 Ų059.4 Ų59.40%031%0.305CS..EExtended strand (participates in β ladder)trans-118.5121.8170.3-53.4164.2000107.6L56 F65 I68 L69 F85 Y101 L103L56-I88 HydrophobicContact CD2-CG1 4.1Å; F65-I88 HydrophobicContact CD2-CG2 3.78Å; F65-I88 HydrophobicContact CE2-CB 4.41Å; F65-I88 HydrophobicContact CE2-CG2 4.01Å; I68-I88 HydrophobicContact CG2-CD1 4.33Å; I68-I88 HydrophobicContact CG2-CG2 3.82Å; L69-I88 HydrophobicContact CB-CD1 4.31Å; L69-I88 HydrophobicContact CD1-CD1 4.18Å; F85-I88 HydrophobicContact CD2-CG1 4.07Å; F85-I88 HydrophobicContact CE2-CD1 3.97Å; F85-I88 HydrophobicContact CE2-CG1 3.62Å; I88-Y101 HydrophobicContact CD1-CD1 4.39Å; I88-Y101 PolarHBondContact N-O 2.96Å; I88-Y101 PolarHBondContact O-N 2.9Å; I88-L103 HydrophobicContact CD1-CD2 3.96Å; I88-L103 HydrophobicContact CG1-CD2 4.45Å
89Y86.9Confident78.9Confident22 Ų2264.6 Ų64.69%0.08633%0.33CS..EExtended strand (participates in β ladder)trans-93.4127.5175-65.8-100.5000108.8I10 S54 Y55 D57 F98 Q99 K100I10-Y89 HydrophobicContact CD1-CE1 4.41Å; I10-Y89 HydrophobicContact CD1-CE2 4.32Å; I10-Y89 HydrophobicContact CG2-CE1 4.45Å; S54-Y89 CarbonylContact C-O 3.37Å; S54-Y89 WeakPolarHBondContact CA-O 3.49Å; S54-Y89 WeakPolarHBondContact CB-O 3.43Å; Y55-Y89 PolarHBondContact N-O 3.42Å; Y55-Y89 PolarHBondContact O-N 3.11Å; D57-Y89 HydrophobicContact CB-CE2 4.27Å; Y89-F98 AromaticContact CD1-CD2 3.7Å; Y89-F98 HydrophobicContact CD1-CD2 3.7Å; Y89-F98 AromaticContact CD1-CE2 3.8Å; Y89-F98 HydrophobicContact CD1-CE2 3.8Å; Y89-F98 HydrophobicContact CE1-CD2 4.16Å; Y89-F98 AromaticContact CE1-CE2 3.76Å; Y89-F98 HydrophobicContact CE1-CE2 3.76Å; Y89-Q99 WeakPolarHBondContact CA-O 3.49Å; Y89-K100 HydrophobicContact CD1-CB 4.19Å; Y89-K100 HydrophobicContact CD1-CG 4.23Å; Y89-K100 HydrophobicContact CE1-CB 4.04Å; Y89-K100 HydrophobicContact CE1-CD 4.09Å; Y89-K100 HydrophobicContact CE1-CG 3.81Å; Y89-K100 HydrophobicContact CE2-CG 4.39Å; Y89-K100 WeakPolarHBondContact OH-CE 3.32Å
90H86.3Confident78.7Confident18 Ų1867 Ų678%0.08334%0.336CS..EExtended strand (participates in β ladder)trans-147174.8-17469.589.2000112.5F65 I92 Q99F65-H90 HydrophobicContact CB-CB 3.95Å; F65-H90 HydrophobicContact CD1-CB 4.32Å; F65-H90 HydrophobicContact CD2-CB 3.46Å; F65-H90 VanDerWaalsContact CD2-CB 3.46Å; F65-H90 AromaticContact CD2-CD2 3.69Å; F65-H90 AromaticContact CD2-CG 3.57Å; F65-H90 AromaticContact CE1-CE1 3.9Å; F65-H90 AromaticContact CE1-ND1 3.93Å; F65-H90 HydrophobicContact CE2-CB 4.01Å; F65-H90 AromaticContact CE2-CD2 3.24Å; F65-H90 WeakPolarHBondContact CE2-CD2 3.24Å; F65-H90 AromaticContact CE2-CG 3.61Å; F65-H90 AromaticContact CE2-NE2 3.78Å; F65-H90 HydrophobicContact CG-CB 3.64Å; F65-H90 AromaticContact CG-CG 3.8Å; F65-H90 AromaticContact CZ-CD2 3.48Å; F65-H90 VanDerWaalsContact CZ-CD2 3.48Å; F65-H90 WeakPolarHBondContact CZ-CD2 3.47Å; F65-H90 AromaticContact CZ-CE1 3.85Å; F65-H90 AromaticContact CZ-CG 3.85Å; F65-H90 AromaticContact CZ-NE2 3.48Å; F65-H90 WeakPolarHBondContact CZ-NE2 3.43Å; H90-I92 PolarHBondContact O-N 3.4Å; H90-Q99 PolarHBondContact CD2-O 2.85Å; H90-Q99 VanDerWaalsContact CD2-O 3.26Å; H90-Q99 VanDerWaalsContact CE1-CB 3.49Å; H90-Q99 WeakPolarHBondContact CE1-CB 3.39Å; H90-Q99 PolarHBondContact CE1-OE1 3.16Å; H90-Q99 PolarHBondContact N-O 2.92Å; H90-Q99 PolarHBondContact O-N 2.8Å
91S78.6Confident78.5Confident33 Ų3367.1 Ų67.123%0.23133%0.33CS..  trans51.836.2-178.9-174.90000113.6N52 K93N52-S91 WeakPolarHBondContact OD1-CA 3.46Å; N52-S91 PolarHBondContact OD1-N 3.26Å; S91-K93 PolarHBondContact O-N 2.9Å
92I76.6Confident78.4Confident33 Ų3370.5 Ų70.517%0.16934%0.342CS..  trans-64.5120.5176.8-62.1162000108.6V14 L18 Y55 H90 D97 F98V14-I92 HydrophobicContact CG1-CG2 3.85Å; V14-I92 HydrophobicContact CG2-CD1 4.3Å; L18-I92 HydrophobicContact CD1-CG2 4.24Å; L18-I92 HydrophobicContact CD2-CG2 4.35Å; L18-I92 HydrophobicContact CG-CG2 4.34Å; Y55-I92 HydrophobicContact CD2-CD1 3.49Å; Y55-I92 VanDerWaalsContact CD2-CD1 3.49Å; Y55-I92 HydrophobicContact CE2-CD1 3.73Å; H90-I92 PolarHBondContact O-N 3.4Å; I92-D97 WeakPolarHBondContact CA-O 3.47Å; I92-F98 HydrophobicContact CG1-CB 3.84Å
93K64.9Low78.1Confident163 Ų16364.4 Ų64.471%0.70932%0.316SS*.  trans-119-28.6178.7-69.3179.6-178.7179.90113.5S91 D97S91-K93 PolarHBondContact O-N 2.9Å; K93-D97 HydrophobicContact CB-CB 4.13Å; K93-D97 PolarHBondContact N-O 3.1Å
94S60.1Low77.5Confident35 Ų3569 Ų6925%0.24534%0.335CS..SBendtrans-145.1177.8175.874.40000109E96 D97S94-E96 PolarHBondContact O-N 3.18Å; S94-E96 PolarHBondContact OG-N 2.66Å; S94-D97 VanDerWaalsContact OG-CB 3.28Å; S94-D97 WeakPolarHBondContact OG-CB 3.5Å; S94-D97 VanDerWaalsContact OG-CG 3.3Å; S94-D97 PolarHBondContact OG-N 3.36Å; S94-D97 PolarHBondContact OG-OD2 2.86Å
95D59Low75.7Confident45 Ų4573.9 Ų73.924%0.24135%0.352CS..SBendtrans-60.1-22.9174.2-82.9-12.1000112K15 L18K15-D95 VanDerWaalsContact CA-OD1 3.23Å; K15-D95 WeakPolarHBondContact CA-OD1 3.48Å; K15-D95 WeakPolarHBondContact CB-OD1 3.23Å; K15-D95 IonicContact NZ-OD2 2.71Å; K15-D95 PolarHBondContact NZ-OD2 2.66Å; L18-D95 WeakPolarHBondContact CD1-OD1 3.44Å
96E55.6Low73.4Confident165 Ų16581 Ų8177%0.77139%0.386SS*.SBendtrans-110.9-27.6-174.4-60.6179.4-178.800112.7S94 F98S94-E96 PolarHBondContact O-N 3.18Å; S94-E96 PolarHBondContact OG-N 2.66Å; E96-F98 PolarHBondContact O-N 3.28Å
97D65.6Low71.5Confident100 Ų10083.8 Ų83.854%0.53540%0.4SS..  trans-90.186.3179.1-65.1-71.9000112.1I92 K93 S94I92-D97 WeakPolarHBondContact CA-O 3.47Å; K93-D97 HydrophobicContact CB-CB 4.13Å; K93-D97 PolarHBondContact N-O 3.1Å; S94-D97 VanDerWaalsContact OG-CB 3.28Å; S94-D97 WeakPolarHBondContact OG-CB 3.5Å; S94-D97 VanDerWaalsContact OG-CG 3.3Å; S94-D97 PolarHBondContact OG-N 3.36Å; S94-D97 PolarHBondContact OG-OD2 2.86Å
98F78.5Confident68.9Low69 Ų6991.1 Ų91.130%0.30343%0.434SS..  trans-132.3149.4169.462.4-99.2000112.4Y89 I92 E96Y89-F98 AromaticContact CD1-CD2 3.7Å; Y89-F98 HydrophobicContact CD1-CD2 3.7Å; Y89-F98 AromaticContact CD1-CE2 3.8Å; Y89-F98 HydrophobicContact CD1-CE2 3.8Å; Y89-F98 HydrophobicContact CE1-CD2 4.16Å; Y89-F98 AromaticContact CE1-CE2 3.76Å; Y89-F98 HydrophobicContact CE1-CE2 3.76Å; I92-F98 HydrophobicContact CG1-CB 3.84Å; E96-F98 PolarHBondContact O-N 3.28Å
99Q77.7Confident66.5Low110 Ų11098.2 Ų98.251%0.51447%0.472SS..EExtended strand (participates in β ladder)trans-102.9117.8175.2-67.8-175-24.300110.2Y89 H90Y89-Q99 WeakPolarHBondContact CA-O 3.49Å; H90-Q99 PolarHBondContact CD2-O 2.85Å; H90-Q99 VanDerWaalsContact CD2-O 3.26Å; H90-Q99 VanDerWaalsContact CE1-CB 3.49Å; H90-Q99 WeakPolarHBondContact CE1-CB 3.39Å; H90-Q99 PolarHBondContact CE1-OE1 3.16Å; H90-Q99 PolarHBondContact N-O 2.92Å; H90-Q99 PolarHBondContact O-N 2.8Å
100K85.8Confident63.8Low90 Ų90101.2 Ų101.239%0.39150%0.497SS..EExtended strand (participates in β ladder)trans-89.2105.7172.7-172.6-169.3-176.3-166.20109.5S87 Y89 E102S87-K100 WeakPolarHBondContact OG-CE 3.45Å; Y89-K100 HydrophobicContact CD1-CB 4.19Å; Y89-K100 HydrophobicContact CD1-CG 4.23Å; Y89-K100 HydrophobicContact CE1-CB 4.04Å; Y89-K100 HydrophobicContact CE1-CD 4.09Å; Y89-K100 HydrophobicContact CE1-CG 3.81Å; Y89-K100 HydrophobicContact CE2-CG 4.39Å; Y89-K100 WeakPolarHBondContact OH-CE 3.32Å; K100-E102 HydrophobicContact CD-CG 4.02Å; K100-E102 WeakPolarHBondContact CE-OE1 3.34Å; K100-E102 HydrophobicContact CG-CG 4.32Å; K100-E102 IonicContact NZ-OE1 3.42Å; K100-E102 PolarHBondContact NZ-OE1 2.83Å; K100-E102 PolarHBondContact O-N 3.13Å
101Y81.6Confident61.4Low100 Ų100105.6 Ų105.639%0.39253%0.529SS..EExtended strand (participates in β ladder)trans-83.296.9165.6-170.6-91.3000109F65 L69 S87 I88 L103F65-Y101 HydrophobicContact CE2-CG 4.38Å; F65-Y101 HydrophobicContact CZ-CD2 4.35Å; F65-Y101 HydrophobicContact CZ-CG 4.3Å; L69-Y101 HydrophobicContact CD1-CD1 3.84Å; L69-Y101 HydrophobicContact CD1-CE1 3.37Å; S87-Y101 WeakPolarHBondContact CA-O 3.1Å; I88-Y101 HydrophobicContact CD1-CD1 4.39Å; I88-Y101 PolarHBondContact N-O 2.96Å; I88-Y101 PolarHBondContact O-N 2.9Å; Y101-L103 HydrophobicContact CD1-CD2 4.04Å; Y101-L103 HydrophobicContact CE1-CD2 3.88Å; Y101-L103 PolarHBondContact O-N 2.7Å
102E84.1Confident59Low118 Ų118114 Ų11455%0.55156%0.562SS**EExtended strand (participates in β ladder)trans-67.8127.2165.9-77.5-176172.200109.7K100 K104K100-E102 HydrophobicContact CD-CG 4.02Å; K100-E102 WeakPolarHBondContact CE-OE1 3.34Å; K100-E102 HydrophobicContact CG-CG 4.32Å; K100-E102 IonicContact NZ-OE1 3.42Å; K100-E102 PolarHBondContact NZ-OE1 2.83Å; K100-E102 PolarHBondContact O-N 3.13Å; E102-K104 PolarHBondContact O-N 2.97Å; E102-K104 VanDerWaalsContact O-N 3.15Å
103L82.2Confident57Low32 Ų32115.5 Ų115.517%0.16859%0.586CS.*  trans-64.3118.4166.6-61.3-174.4000107.2S72 P76 F85 S86 I88 Y101 Q105S72-L103 WeakPolarHBondContact OG-CD2 3.36Å; P76-L103 HydrophobicContact CB-CD1 3.56Å; F85-L103 HydrophobicContact CD2-CD1 3.82Å; F85-L103 HydrophobicContact CD2-CG 4.5Å; F85-L103 HydrophobicContact CE2-CD1 3.71Å; F85-L103 HydrophobicContact CE2-CG 4.4Å; F85-L103 WeakPolarHBondContact O-CD1 3.38Å; S86-L103 WeakPolarHBondContact O-CB 3.43Å; S86-L103 PolarHBondContact O-N 3.45Å; I88-L103 HydrophobicContact CD1-CD2 3.96Å; I88-L103 HydrophobicContact CG1-CD2 4.45Å; Y101-L103 HydrophobicContact CD1-CD2 4.04Å; Y101-L103 HydrophobicContact CE1-CD2 3.88Å; Y101-L103 PolarHBondContact O-N 2.7Å; L103-Q105 PolarHBondContact O-N 2.83Å
104K70.3Confident55.3Low196 Ų196118.3 Ų118.385%0.85259%0.594SS**  trans-67.681165.6-71.8-176.2179.5177.20108.6E102 Q106E102-K104 PolarHBondContact O-N 2.97Å; E102-K104 VanDerWaalsContact O-N 3.15Å; K104-Q106 PolarHBondContact O-N 2.77Å
105Q49.6Very low53.9Low161 Ų161125 Ų12575%0.75262%0.619SS**  trans-48123170.9-174178.317.100107.6L103 V107L103-Q105 PolarHBondContact O-N 2.83Å; Q105-V107 HydrophobicContact CB-CG2 4.36Å; Q105-V107 HydrophobicContact CG-CG2 4.01Å; Q105-V107 PolarHBondContact O-N 3.07Å
106Q38.3Very low52.7Low159 Ų159130.6 Ų130.674%0.74364%0.644SS**  trans-74.365177.8-67.9-169.7-72.600110.5K104 S110K104-Q106 PolarHBondContact O-N 2.77Å; Q106-S110 PolarHBondContact NE2-OG 2.99Å
107V42.5Very low51.8Low108 Ų108126.1 Ų126.166%0.65564%0.642SS**  trans-63.6132.9156.9-171.30000106.4Q105Q105-V107 HydrophobicContact CB-CG2 4.36Å; Q105-V107 HydrophobicContact CG-CG2 4.01Å; Q105-V107 PolarHBondContact O-N 3.07Å
108E32Very low50.3Low156 Ų156127.1 Ų127.173%0.72965%0.651SS**SBendtrans74.3104.2-169.8-51.2-165.7175.700116.8S110E108-S110 PolarHBondContact O-N 2.67Å
109N40.1Very low48.3Very low149 Ų149133.8 Ų133.880%0.79767%0.674SS**  48.152.7119.8-56.5-26.3000117.9S111N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 VanDerWaalsContact O-CB 3.26Å; N109-S111 WeakPolarHBondContact O-CB 3.4Å; N109-S111 PolarHBondContact O-N 2.82Å
110S30.2Very low45.9Very low86 Ų86137.4 Ų137.460%0.60169%0.688SS**  trans-73.681.4157.3-66.50000108.7Q106 E108 F112Q106-S110 PolarHBondContact NE2-OG 2.99Å; E108-S110 PolarHBondContact O-N 2.67Å; S110-F112 VanDerWaalsContact C-N 3.33Å; S110-F112 PolarHBondContact O-N 3.5Å
111S35.5Very low43.9Very low110 Ų110143 Ų14377%0.76971%0.707SS**  57.642.177.2-170.40000113N109 G113N109-S111 VanDerWaalsContact C-N 3.28Å; N109-S111 VanDerWaalsContact O-CB 3.26Å; N109-S111 WeakPolarHBondContact O-CB 3.4Å; N109-S111 PolarHBondContact O-N 2.82Å; S111-G113 PolarHBondContact O-N 3.34Å
112F29.7Very low41.5Very low208 Ų208149.1 Ų149.191%0.91273%0.731SS**  trans-65.3101.5171.2-154.9-88.1000110S110S110-F112 VanDerWaalsContact C-N 3.33Å; S110-F112 PolarHBondContact O-N 3.5Å
113G34.5Very low39.1Very low66 Ų66154.8 Ų154.868%0.6875%0.748SS**  trans178.760-169.100000113S111S111-G113 PolarHBondContact O-N 3.34Å
114Y28.6Very low36.6Very low221 Ų221160 Ų16087%0.86778%0.781SS**  trans-132.794.1172.4-155.6-83.9000111.4
115F30.2Very low35.1Very low176 Ų176156.2 Ų156.277%0.77277%0.774SS**SBendtrans-144.7129.7158.5-151.8-92.2000107.2G117F115-G117 VanDerWaalsContact C-N 3.33Å; F115-G117 PolarHBondContact O-N 2.66Å
116E34.8Very low34.4Very low163 Ų163156.2 Ų156.276%0.76278%0.778SS**SBendtrans40.241.2171.5-64.6-171.911500119.1V118E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 3.34Å
117G36.3Very low34.3Very low71 Ų71155.7 Ų155.773%0.73279%0.786SS**SBendtrans70.4-12.3146.700000120.2F115F115-G117 VanDerWaalsContact C-N 3.33Å; F115-G117 PolarHBondContact O-N 2.66Å
118V34.9Very low33.9Very low120 Ų120153.9 Ų153.973%0.72779%0.789SS**  trans-85.9117.5-175.7-1780000112.2E116 F120E116-V118 VanDerWaalsContact C-N 3.29Å; E116-V118 PolarHBondContact O-N 3.34Å; V118-F120 HydrophobicContact CG1-CD2 4.28Å; V118-F120 HydrophobicContact CG1-CE2 4.11Å
119R36Very low34.3Very low210 Ų210152.7 Ų152.779%0.79279%0.793SS**  trans-92.4111.6178.9-82.2-179.8165.3153.7-1.6113.1
120F27.2Very low33.9Very low185 Ų185152.8 Ų152.881%0.81179%0.788SS**  trans-97.3137.1152.6-80-89.4000110.6V118V118-F120 HydrophobicContact CG1-CD2 4.28Å; V118-F120 HydrophobicContact CG1-CE2 4.11Å
121R43.7Very low34.3Very low207 Ų207157.5 Ų157.578%0.78180%0.8SS**  trans-129.8121175.2-78-177.7168.1-177.3-4.7109.6
122Y31.3Very low34.3Very low230 Ų230159.1 Ų159.190%0.90280%0.796SS**  trans-96.9151.5158.5-82.8-83000110.5
123R32.9Very low34.7Very low237 Ų237158.5 Ų158.589%0.89480%0.798SS**  trans-13398.9-170.3179.2-165-178.2-168.52109.7
124T30.7Very low34.7Very low141 Ų141166.3 Ų166.387%0.86581%0.807SS**  trans-135.3168.3169.338.60000109.9
125T38Very low34.9Very low116 Ų116167 Ų16771%0.71281%0.808SS**  trans-135.4155.8-148.250.70000114.1
126L35.8Very low35.2Very low161 Ų161165.7 Ų165.784%0.84382%0.815SS**  trans66.6101.4157.2-67159.7000117.6
127T36.4Very low34.9Very low148 Ų148162.9 Ų162.991%0.90881%0.813SS**  trans-128.1127.8131.644.50000108.8
128G32.9Very low34.7Very low70 Ų70166.8 Ų166.872%0.72282%0.817SS**  trans-95.3150.2179.200000112.1H130G128-H130 PolarHBondContact O-N 2.94Å
129V39.7Very low35Very low131 Ų131166.6 Ų166.679%0.79482%0.818SS**  trans-26.4120.9172-177.40000114.7Q131V129-Q131 HydrophobicContact CG1-CB 4.35Å
130H31.6Very low35.4Very low152 Ų152161.2 Ų161.270%0.70481%0.81SS**  trans-136.361.8153.6-14160.1000112.5G128 Q132G128-H130 PolarHBondContact O-N 2.94Å; H130-Q132 PolarHBondContact O-N 3.01Å
131Q40Very low36.3Very low184 Ų184157.2 Ų157.286%0.8680%0.797SS**  trans-83.885.6171.4-167.5174.424.200109V129V129-Q131 HydrophobicContact CG1-CB 4.35Å
132Q35.8Very low36.4Very low145 Ų145153 Ų15368%0.67879%0.79SS**PPolyproline II helixtrans-103.2127.8169.3-75.7-167.5-20.300110.2H130 R134H130-Q132 PolarHBondContact O-N 3.01Å; Q132-R134 PolarHBondContact O-N 3.17Å
133M36.6Very low37.2Very low194 Ų194142.1 Ų142.196%0.95675%0.748SS**PPolyproline II helixtrans-56.1124172.1-70.3164.1147.700110.2
134R34.3Very low38.2Very low231 Ų231133.6 Ų133.687%0.87272%0.722SS**PPolyproline II helixtrans-93.6135.9154.1-80.1-171.1164.6-138-9.9108.6Q132Q132-R134 PolarHBondContact O-N 3.17Å
135R33.3Very low39.4Very low234 Ų234127.5 Ų127.588%0.88368%0.684SS**PPolyproline II helixtrans-57.5158.5167-66.8179.1175.8179.6-3.3109.6S137R135-S137 PolarHBondContact O-N 3.2Å
136T36.7Very low40.1Very low150 Ų150125.6 Ų125.692%0.9267%0.666SS**  trans-46102.5171.928.10000112.3
137S28.8Very low40.6Very low103 Ų103124.3 Ų124.372%0.7266%0.656SS**PPolyproline II helixtrans-89162.5146.856.60000108.6R135R135-S137 PolarHBondContact O-N 3.2Å
138L32.8Very low40.8Very low154 Ų154121.7 Ų121.781%0.80665%0.649SS**PPolyproline II helixtrans-52.9157.1178.1-7480.6000112
139P39.6Very low41.4Very low115 Ų115120.6 Ų120.675%0.74763%0.63SS**PPolyproline II helixtrans-49.2139.6170.7-2534.3000110.6D141P139-D141 PolarHBondContact O-N 3.49Å
140P45.9Very low41.9Very low97 Ų97118.2 Ų118.263%0.6362%0.619SS**PPolyproline II helixtrans-59.7134172.926.8-33.1000109.1N142P140-N142 PolarHBondContact O-N 3.28Å
141D45.4Very low42.9Very low102 Ų102118.5 Ų118.555%0.54563%0.626SS.*  trans-29.3126168.8162.731.9000111.5P139 G143 R194P139-D141 PolarHBondContact O-N 3.49Å; D141-G143 WeakPolarHBondContact O-CA 3.49Å; D141-G143 PolarHBondContact O-N 2.67Å; D141-G143 PolarHBondContact OD1-N 3.35Å; D141-R194 IonicContact OD2-NH1 3.66Å; D141-R194 PolarHBondContact OD2-NH1 3.46Å
142N46Very low43.8Very low118 Ų118113.2 Ų113.263%0.63160%0.603SS**  trans-70.518-169-102.3-14.8000114.6P140 V144P140-N142 PolarHBondContact O-N 3.28Å; N142-V144 WeakPolarHBondContact O-CB 3.42Å; N142-V144 WeakPolarHBondContact O-CG2 3.43Å; N142-V144 PolarHBondContact O-N 2.96Å
143G49.1Very low45.5Very low2 Ų2110.6 Ų110.62%0.02160%0.599CS.*  82.2-42.8128.900000116.2D141 M145 R194 Y242 G243D141-G143 WeakPolarHBondContact O-CA 3.49Å; D141-G143 PolarHBondContact O-N 2.67Å; D141-G143 PolarHBondContact OD1-N 3.35Å; G143-M145 PolarHBondContact O-N 2.92Å; G143-M145 VanDerWaalsContact O-N 3.07Å; G143-R194 PolarHBondContact O-NH2 3.1Å; G143-Y242 CarbonylContact O-C 3.56Å; G143-G243 PolarHBondContact O-N 2.67Å; G143-G243 VanDerWaalsContact O-N 3.16Å
144V53.2Low47.1Very low57 Ų57105.3 Ų105.335%0.34557%0.572SS.*BIsolated β-bridgetrans-53.798.5162.9174.20000108.4N142 F146 E147 H245N142-V144 WeakPolarHBondContact O-CB 3.42Å; N142-V144 WeakPolarHBondContact O-CG2 3.43Å; N142-V144 PolarHBondContact O-N 2.96Å; V144-F146 HydrophobicContact CB-CD2 4.36Å; V144-F146 HydrophobicContact CG1-CB 3.75Å; V144-F146 HydrophobicContact CG1-CD2 3.5Å; V144-F146 HydrophobicContact CG1-CG 4.02Å; V144-F146 PolarHBondContact O-N 2.81Å; V144-E147 PolarHBondContact O-N 2.8Å; V144-H245 WeakPolarHBondContact CG2-NE2 2.99Å
145M56.2Low48.9Very low14 Ų1498.3 Ų98.37%0.06955%0.549CS..THydrogen-bonded Turntrans-67.414.6175.9-84-69.7-71.800113.8G143 R194 R198 V240 L241 R281G143-M145 PolarHBondContact O-N 2.92Å; G143-M145 VanDerWaalsContact O-N 3.07Å; M145-R194 HydrophobicContact CE-CG 3.69Å; M145-R194 WeakPolarHBondContact CE-O 3.46Å; M145-R194 HydrophobicContact CG-CG 4.03Å; M145-R194 VanDerWaalsContact SD-CD 3.6Å; M145-R194 HydrophobicContact SD-CG 3.35Å; M145-R194 WeakPolarHBondContact SD-CG 3.25Å; M145-R198 HydrophobicContact CE-CB 4Å; M145-V240 WeakPolarHBondContact CG-O 3.36Å; M145-L241 PolarHBondContact N-O 3.44Å; M145-R281 VanDerWaalsContact C-NH2 3.34Å; M145-R281 PolarHBondContact O-NH1 3.34Å; M145-R281 PolarHBondContact O-NH2 2.68Å; M145-R281 VanDerWaalsContact O-NH2 3.13Å
146F52.8Low51.1Low75 Ų7594.8 Ų94.833%0.32954%0.536SS..THydrogen-bonded Turntrans-92.9-12.1177.6-51.2-104.9000110.8V144 Y242 Q279 R281V144-F146 HydrophobicContact CB-CD2 4.36Å; V144-F146 HydrophobicContact CG1-CB 3.75Å; V144-F146 HydrophobicContact CG1-CD2 3.5Å; V144-F146 HydrophobicContact CG1-CG 4.02Å; V144-F146 PolarHBondContact O-N 2.81Å; F146-Y242 AromaticContact CE2-CD1 3.92Å; F146-Y242 HydrophobicContact CE2-CD1 3.92Å; F146-Y242 AromaticContact CE2-CE1 3.96Å; F146-Y242 HydrophobicContact CE2-CE1 3.96Å; F146-Y242 HydrophobicContact CZ-CD1 4.38Å; F146-Y242 AromaticContact CZ-CE1 3.95Å; F146-Y242 HydrophobicContact CZ-CE1 3.95Å; F146-Q279 HydrophobicContact CE1-CB 4.19Å; F146-Q279 VanDerWaalsContact CE1-CD 3.47Å; F146-Q279 HydrophobicContact CE1-CG 4.01Å; F146-R281 VanDerWaalsContact CD2-NH2 3.31Å; F146-R281 VanDerWaalsContact CZ-NH2 3.35Å
147E45.6Very low53.1Low135 Ų13589.2 Ų89.263%0.63150%0.498SS*.SBendtrans-88.6130.1169.1-170163.5-14400110.9V144 S149V144-E147 PolarHBondContact O-N 2.8Å; E147-S149 PolarHBondContact O-N 3.05Å
148A40.3Very low55.7Low93 Ų9385.3 Ų85.377%0.76947%0.469SS*.  trans-80.180.4-178.600000110.7S150A148-S150 PolarHBondContact O-N 2.66Å
149S46.5Very low58.2Low46 Ų4685.5 Ų85.532%0.32246%0.459SS..  trans-63.5101.2176.4-30.20000111.1E147 R157E147-S149 PolarHBondContact O-N 3.05Å; S149-R157 PolarHBondContact O-NH1 3.25Å; S149-R157 VanDerWaalsContact O-NH1 3.1Å; S149-R157 PolarHBondContact O-NH2 2.99Å
150S50.4Low60.6Low81 Ų8183.9 Ų83.957%0.56644%0.438SS*.  trans-68.3-151.9168.4-64.90000111.2A148 L152 R157A148-S150 PolarHBondContact O-N 2.66Å; S150-L152 PolarHBondContact O-N 2.91Å; S150-R157 PolarHBondContact O-NH2 2.86Å
151D52Low62.7Low159 Ų15979.3 Ų79.385%0.8541%0.409SS*.SBendtrans67.44.6161.8-45-15.2000118
152L59.6Low64.7Low73 Ų7378.2 Ų78.238%0.38240%0.397SS..SBendtrans-124.1121.5158.4-11783.6000109.2S150 Q154 R156 R157S150-L152 PolarHBondContact O-N 2.91Å; L152-Q154 PolarHBondContact O-N 2.86Å; L152-R156 HydrophobicContact CD2-CG 4.43Å; L152-R157 HydrophobicContact CB-CG 4.24Å; L152-R157 HydrophobicContact CD2-CG 4.19Å
153P70.3Confident66.8Low89 Ų8982.3 Ų82.358%0.57840%0.403SS*.  trans-52.2133.5174.5-28.435.2000111.4Q155 R156 R157P153-Q155 PolarHBondContact O-N 3.19Å; P153-R156 WeakPolarHBondContact O-CA 3.46Å; P153-R156 VanDerWaalsContact O-CB 3.31Å; P153-R156 WeakPolarHBondContact O-CB 3.26Å; P153-R156 PolarHBondContact O-N 3.28Å; P153-R157 PolarHBondContact O-N 3.22Å
154Q69.7Low68.8Low84 Ų8482.7 Ų82.739%0.39341%0.405SS..Hα-helixtrans-55.8-40.4-173.3-174.555.836.700111.8L152 R156 R157 D158L152-Q154 PolarHBondContact O-N 2.86Å; Q154-R156 PolarHBondContact O-N 3.4Å; Q154-R156 VanDerWaalsContact O-N 3.14Å; Q154-R157 WeakPolarHBondContact O-CA 2.99Å; Q154-R157 WeakPolarHBondContact O-CB 3.36Å; Q154-R157 PolarHBondContact O-N 2.91Å; Q154-D158 PolarHBondContact NE2-OD1 2.95Å; Q154-D158 PolarHBondContact O-N 3.33Å
155Q73.8Confident70.5Confident83 Ų8380.9 Ų80.939%0.38839%0.393SS..Hα-helixtrans-48.6-38.4171.5-168.9-154.834.100113.7P153 R159 E317P153-Q155 PolarHBondContact O-N 3.19Å; Q155-R159 VanDerWaalsContact NE2-NH2 3.16Å; Q155-R159 VanDerWaalsContact O-CB 3.3Å; Q155-R159 WeakPolarHBondContact O-CB 3.47Å; Q155-R159 PolarHBondContact O-N 3.21Å; Q155-E317 VanDerWaalsContact CD-OE1 3.28Å; Q155-E317 VanDerWaalsContact CG-OE1 3.28Å; Q155-E317 WeakPolarHBondContact CG-OE1 3.21Å; Q155-E317 PolarHBondContact NE2-OE1 2.96Å; Q155-E317 PolarHBondContact NE2-OE2 2.91Å
156R77.9Confident72Confident160 Ų16086.6 Ų86.660%0.60442%0.421SS*.Hα-helixtrans-73.5-35.4179.3-165.4179.3-172.3-130.15.9111.9L152 P153 Q154 Y160L152-R156 HydrophobicContact CD2-CG 4.43Å; P153-R156 WeakPolarHBondContact O-CA 3.46Å; P153-R156 VanDerWaalsContact O-CB 3.31Å; P153-R156 WeakPolarHBondContact O-CB 3.26Å; P153-R156 PolarHBondContact O-N 3.28Å; Q154-R156 PolarHBondContact O-N 3.4Å; Q154-R156 VanDerWaalsContact O-N 3.14Å; R156-Y160 PolarHBondContact O-N 3.28Å
157R80.1Confident73.8Confident34 Ų3487.9 Ų87.913%0.12842%0.424CS..Hα-helixtrans-68-48.4173.2-61.5178.9176.9167.8-1.8109.9S149 S150 L152 P153 Q154 R159 Y160 I161S149-R157 PolarHBondContact O-NH1 3.25Å; S149-R157 VanDerWaalsContact O-NH1 3.1Å; S149-R157 PolarHBondContact O-NH2 2.99Å; S150-R157 PolarHBondContact O-NH2 2.86Å; L152-R157 HydrophobicContact CB-CG 4.24Å; L152-R157 HydrophobicContact CD2-CG 4.19Å; P153-R157 PolarHBondContact O-N 3.22Å; Q154-R157 WeakPolarHBondContact O-CA 2.99Å; Q154-R157 WeakPolarHBondContact O-CB 3.36Å; Q154-R157 PolarHBondContact O-N 2.91Å; R157-R159 PolarHBondContact O-N 3.18Å; R157-Y160 WeakPolarHBondContact O-CA 3.46Å; R157-Y160 WeakPolarHBondContact O-CB 3.28Å; R157-Y160 PolarHBondContact O-N 2.87Å; R157-I161 WeakPolarHBondContact O-CG1 3.42Å; R157-I161 PolarHBondContact O-N 3.14Å
158D82Confident75.8Confident20 Ų2082 Ų8211%0.10740%0.396CS..Hα-helixtrans-52.1-48.1172.7-89.856.3000113.3Q154 Y160 I161 R162 R199Q154-D158 PolarHBondContact NE2-OD1 2.95Å; Q154-D158 PolarHBondContact O-N 3.33Å; D158-Y160 VanDerWaalsContact C-N 3.29Å; D158-Y160 PolarHBondContact O-N 3.07Å; D158-I161 PolarHBondContact O-N 2.87Å; D158-R162 PolarHBondContact O-N 2.82Å; D158-R199 VanDerWaalsContact CG-CZ 3.42Å; D158-R199 IonicContact OD1-CZ 2.81Å; D158-R199 IonicContact OD1-NE 3.19Å; D158-R199 IonicContact OD1-NH1 2.72Å; D158-R199 PolarHBondContact OD1-NH1 3.33Å; D158-R199 IonicContact OD1-NH2 3.75Å; D158-R199 PolarHBondContact OD1-NH2 3.4Å; D158-R199 IonicContact OD2-CZ 2.8Å; D158-R199 IonicContact OD2-NH1 2.92Å; D158-R199 PolarHBondContact OD2-NH1 2.89Å; D158-R199 IonicContact OD2-NH2 3.76Å; D158-R199 PolarHBondContact OD2-NH2 3.36Å
159R86.6Confident78.1Confident158 Ų15878.9 Ų78.960%0.59637%0.371SS*.Hα-helixtrans-61.5-35.2176.6-163.1179.3-62.6178.42.8112.2Q155 R157 R163Q155-R159 VanDerWaalsContact NE2-NH2 3.16Å; Q155-R159 VanDerWaalsContact O-CB 3.3Å; Q155-R159 WeakPolarHBondContact O-CB 3.47Å; Q155-R159 PolarHBondContact O-N 3.21Å; R157-R159 PolarHBondContact O-N 3.18Å; R159-R163 VanDerWaalsContact O-CB 3.25Å; R159-R163 WeakPolarHBondContact O-CB 3.18Å; R159-R163 PolarHBondContact O-N 2.85Å; R159-R163 VanDerWaalsContact O-N 3.15Å
160Y89.4Confident80Confident81 Ų8178.9 Ų78.932%0.31837%0.373SS..Hα-helixtrans-69-45.9173.8167.5-99.9000112.5R156 R157 D158 R163 M164 E188R156-Y160 PolarHBondContact O-N 3.28Å; R157-Y160 WeakPolarHBondContact O-CA 3.46Å; R157-Y160 WeakPolarHBondContact O-CB 3.28Å; R157-Y160 PolarHBondContact O-N 2.87Å; D158-Y160 VanDerWaalsContact C-N 3.29Å; D158-Y160 PolarHBondContact O-N 3.07Å; Y160-R163 PolarHBondContact O-N 3.45Å; Y160-M164 HydrophobicContact CE2-CE 4Å; Y160-M164 PolarHBondContact O-N 2.81Å; Y160-M164 WeakPolarHBondContact OH-CE 3.3Å; Y160-E188 PolarHBondContact OH-O 2.99Å
161I89.5Confident81.8Confident2 Ų276 Ų761%0.0135%0.351CS..Hα-helixtrans-57.3-54.4177.5-60163.3000110.2R157 D158 R163 M164 M165 F192 E195 L196 R199R157-I161 WeakPolarHBondContact O-CG1 3.42Å; R157-I161 PolarHBondContact O-N 3.14Å; D158-I161 PolarHBondContact O-N 2.87Å; I161-R163 VanDerWaalsContact C-N 3.3Å; I161-R163 PolarHBondContact O-N 2.72Å; I161-M164 PolarHBondContact O-N 2.7Å; I161-M165 HydrophobicContact CG2-CE 3.59Å; I161-M165 HydrophobicContact CG2-CG 4.34Å; I161-M165 HydrophobicContact CG2-SD 4.1Å; I161-M165 WeakPolarHBondContact O-CG 3.36Å; I161-M165 PolarHBondContact O-N 3.12Å; I161-F192 HydrophobicContact CG2-CE2 4.1Å; I161-E195 HydrophobicContact CD1-CB 4.49Å; I161-E195 HydrophobicContact CD1-CG 3.42Å; I161-E195 VanDerWaalsContact CD1-CG 3.42Å; I161-E195 HydrophobicContact CG1-CB 4.21Å; I161-E195 HydrophobicContact CG1-CG 3.46Å; I161-E195 VanDerWaalsContact CG1-CG 3.46Å; I161-L196 HydrophobicContact CG2-CD2 4.34Å; I161-R199 HydrophobicContact CD1-CG 4.45Å
162R87.9Confident83.3Confident79 Ų7971.5 Ų71.530%0.29832%0.322SS..Hα-helixtrans-58.7-42.1180-69.8-177.2-177.9154.69.3111.2D158 M164 M165 M166 P311 A312D158-R162 PolarHBondContact O-N 2.82Å; R162-M164 PolarHBondContact O-N 3.16Å; R162-M165 PolarHBondContact O-N 3.37Å; R162-M166 WeakPolarHBondContact O-CB 3.48Å; R162-M166 VanDerWaalsContact O-CG 3.27Å; R162-M166 WeakPolarHBondContact O-CG 3.42Å; R162-M166 PolarHBondContact O-N 3.2Å; R162-P311 PolarHBondContact NE-O 3.03Å; R162-P311 PolarHBondContact NH2-O 2.84Å; R162-A312 PolarHBondContact NH2-O 2.92Å
163R90.1Very high84.6Confident204 Ų20475.4 Ų75.477%0.7733%0.332SS*.Hα-helixtrans-62.2-38.8175.3-173176.3-175.8175.12.9112.6R159 Y160 I161 R167R159-R163 VanDerWaalsContact O-CB 3.25Å; R159-R163 WeakPolarHBondContact O-CB 3.18Å; R159-R163 PolarHBondContact O-N 2.85Å; R159-R163 VanDerWaalsContact O-N 3.15Å; Y160-R163 PolarHBondContact O-N 3.45Å; I161-R163 VanDerWaalsContact C-N 3.3Å; I161-R163 PolarHBondContact O-N 2.72Å; R163-R167 WeakPolarHBondContact O-CB 3.43Å; R163-R167 PolarHBondContact O-N 2.92Å
164M90.3Very high85.4Confident10 Ų1071.8 Ų71.85%0.04931%0.309CS..Hα-helixtrans-72.1-44.8177-167.566.581.300112Y160 I161 R162 M166 R167 L168 V184 E188 F192Y160-M164 HydrophobicContact CE2-CE 4Å; Y160-M164 PolarHBondContact O-N 2.81Å; Y160-M164 WeakPolarHBondContact OH-CE 3.3Å; I161-M164 PolarHBondContact O-N 2.7Å; R162-M164 PolarHBondContact O-N 3.16Å; M164-M166 VanDerWaalsContact C-N 3.31Å; M164-M166 PolarHBondContact O-N 3.13Å; M164-R167 WeakPolarHBondContact O-CB 3.31Å; M164-R167 PolarHBondContact O-N 3.49Å; M164-R167 VanDerWaalsContact O-N 3.09Å; M164-L168 HydrophobicContact CG-CD1 4.37Å; M164-L168 WeakPolarHBondContact O-CG 3.49Å; M164-L168 PolarHBondContact O-N 3.26Å; M164-V184 HydrophobicContact SD-CG1 4.26Å; M164-E188 HydrophobicContact CE-CB 4.07Å; M164-F192 HydrophobicContact CB-CD2 3.6Å; M164-F192 HydrophobicContact CB-CE2 3.88Å; M164-F192 HydrophobicContact CB-CG 4.24Å; M164-F192 HydrophobicContact CE-CB 4.48Å; M164-F192 HydrophobicContact CG-CB 4.04Å; M164-F192 HydrophobicContact CG-CD1 4.24Å; M164-F192 HydrophobicContact CG-CD2 3.57Å; M164-F192 HydrophobicContact CG-CE2 4.04Å; M164-F192 HydrophobicContact CG-CG 3.68Å
165M89.5Confident86Confident19 Ų1969.9 Ų69.99%0.09431%0.308CS..Hα-helixtrans-57.9-43.2174.7-69.9-173.9178.500111.5I161 R162 R167 L168 A169 F192 L196 V201 Y308 C310I161-M165 HydrophobicContact CG2-CE 3.59Å; I161-M165 HydrophobicContact CG2-CG 4.34Å; I161-M165 HydrophobicContact CG2-SD 4.1Å; I161-M165 WeakPolarHBondContact O-CG 3.36Å; I161-M165 PolarHBondContact O-N 3.12Å; R162-M165 PolarHBondContact O-N 3.37Å; M165-R167 PolarHBondContact O-N 3.43Å; M165-L168 PolarHBondContact O-N 3.06Å; M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 2.95Å; M165-F192 HydrophobicContact CE-CE2 4.35Å; M165-F192 HydrophobicContact CE-CZ 4.17Å; M165-F192 HydrophobicContact CG-CE2 3.85Å; M165-F192 HydrophobicContact CG-CZ 3.74Å; M165-L196 HydrophobicContact CE-CD2 3.58Å; M165-V201 HydrophobicContact CE-CG1 4.19Å; M165-Y308 VanDerWaalsContact CE-CB 3.43Å; M165-Y308 HydrophobicContact CE-CD2 4.45Å; M165-Y308 HydrophobicContact CE-CG 4.15Å; M165-C310 PolarHBondContact SD-SG 3.48Å
166M87.8Confident86.4Confident134 Ų13470.8 Ų70.866%0.6632%0.323SS*.Hα-helixtrans-64.2-37.8174.2-73.5-68.6-86.400112.7R162 M164 A169 A170R162-M166 WeakPolarHBondContact O-CB 3.48Å; R162-M166 VanDerWaalsContact O-CG 3.27Å; R162-M166 WeakPolarHBondContact O-CG 3.42Å; R162-M166 PolarHBondContact O-N 3.2Å; M164-M166 VanDerWaalsContact C-N 3.31Å; M164-M166 PolarHBondContact O-N 3.13Å; M166-A169 PolarHBondContact O-N 2.86Å; M166-A170 VanDerWaalsContact O-CB 3.3Å; M166-A170 WeakPolarHBondContact O-CB 3.3Å; M166-A170 PolarHBondContact O-N 2.97Å
167R89.8Confident86.9Confident102 Ų10268.4 Ų68.439%0.38532%0.319SS..Hα-helixtrans-65.3-39.4174-174.7-179.1177-154.14112R163 M164 M165 K171 E188R163-R167 WeakPolarHBondContact O-CB 3.43Å; R163-R167 PolarHBondContact O-N 2.92Å; M164-R167 WeakPolarHBondContact O-CB 3.31Å; M164-R167 PolarHBondContact O-N 3.49Å; M164-R167 VanDerWaalsContact O-N 3.09Å; M165-R167 PolarHBondContact O-N 3.43Å; R167-K171 WeakPolarHBondContact O-CB 3.49Å; R167-K171 PolarHBondContact O-N 3.29Å; R167-E188 IonicContact CZ-OE2 3.12Å; R167-E188 IonicContact NH1-OE2 3.08Å; R167-E188 PolarHBondContact NH1-OE2 2.93Å; R167-E188 IonicContact NH2-OE2 3.9Å; R167-E188 PolarHBondContact NH2-OE2 2.88Å
168L88.7Confident87.1Confident10 Ų1070.1 Ų70.15%0.05235%0.348CS..Hα-helixtrans-69.6-40.6175-66.9172.5000111.8M164 M165 K171 R172 V184 M189 F192M164-L168 HydrophobicContact CG-CD1 4.37Å; M164-L168 WeakPolarHBondContact O-CG 3.49Å; M164-L168 PolarHBondContact O-N 3.26Å; M165-L168 PolarHBondContact O-N 3.06Å; L168-K171 WeakPolarHBondContact O-CB 3.32Å; L168-K171 PolarHBondContact O-N 2.98Å; L168-R172 PolarHBondContact O-N 3.12Å; L168-V184 HydrophobicContact CD2-CG2 4.07Å; L168-M189 HydrophobicContact CD1-CE 4.41Å; L168-M189 HydrophobicContact CD2-CE 4.02Å; L168-F192 HydrophobicContact CD1-CD1 4.33Å; L168-F192 HydrophobicContact CD1-CE1 3.81Å; L168-F192 HydrophobicContact CD1-CZ 4.24Å
169A87.9Confident87.3Confident29 Ų2975.9 Ų75.924%0.2437%0.368CS..Hα-helixtrans-67.9-33.6174.500000113.1M165 M166 R173M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 2.95Å; M166-A169 PolarHBondContact O-N 2.86Å; A169-R173 PolarHBondContact O-N 3.21Å
170A87.6Confident86.8Confident45 Ų4573.6 Ų73.637%0.37238%0.383SS..Hα-helixtrans-67.9-39.916900000111.6M166 R173 A174M166-A170 VanDerWaalsContact O-CB 3.3Å; M166-A170 WeakPolarHBondContact O-CB 3.3Å; M166-A170 PolarHBondContact O-N 2.97Å; A170-R173 PolarHBondContact O-N 3.19Å; A170-A174 PolarHBondContact O-N 3.29Å
171K86.9Confident86.2Confident21 Ų2172 Ų729%0.09138%0.381CS..Hα-helixtrans-61.1-44.2173.9172.9151.5-167.9163.80112.4R167 L168 R173 A174 A175 V181 N182 N183 Q304R167-K171 WeakPolarHBondContact O-CB 3.49Å; R167-K171 PolarHBondContact O-N 3.29Å; L168-K171 WeakPolarHBondContact O-CB 3.32Å; L168-K171 PolarHBondContact O-N 2.98Å; K171-R173 PolarHBondContact O-N 3.27Å; K171-A174 PolarHBondContact O-N 3.18Å; K171-A175 VanDerWaalsContact O-CB 3.3Å; K171-A175 WeakPolarHBondContact O-CB 3.46Å; K171-A175 PolarHBondContact O-N 2.91Å; K171-V181 HydrophobicContact CB-CG1 3.87Å; K171-V181 HydrophobicContact CD-CB 4.22Å; K171-V181 HydrophobicContact CD-CG1 3.81Å; K171-V181 HydrophobicContact CG-CB 4.16Å; K171-V181 HydrophobicContact CG-CG1 3.7Å; K171-V181 HydrophobicContact CG-CG2 4.41Å; K171-N182 PolarHBondContact NZ-O 2.71Å; K171-N183 PolarHBondContact NZ-OD1 2.81Å; K171-Q304 HydrophobicContact CG-CG 4.42Å
172R84.8Confident85.7Confident65 Ų6578.7 Ų78.725%0.24542%0.417CS..Hα-helixtrans-49.8-56.7171.8-83.8-167.1-86.8-104.211.1111.6L168 A175 S176 Q304 A306L168-R172 PolarHBondContact O-N 3.12Å; R172-A175 PolarHBondContact O-N 3.19Å; R172-S176 PolarHBondContact O-N 2.74Å; R172-S176 PolarHBondContact O-OG 3.15Å; R172-S176 VanDerWaalsContact O-OG 3.14Å; R172-Q304 WeakPolarHBondContact CD-O 3.32Å; R172-Q304 WeakPolarHBondContact CG-O 3.43Å; R172-Q304 PolarHBondContact NH1-O 3.29Å; R172-A306 PolarHBondContact NH1-O 3.24Å
173R85.4Confident85.4Confident155 Ų15581 Ų8159%0.58544%0.435SS*.Hα-helixtrans-59.3-50.9-177-72.3-173.6-72.7164.6-4.1111.9A169 A170 K171 A175 S176 E177A169-R173 PolarHBondContact O-N 3.21Å; A170-R173 PolarHBondContact O-N 3.19Å; K171-R173 PolarHBondContact O-N 3.27Å; R173-A175 VanDerWaalsContact C-N 3.31Å; R173-A175 PolarHBondContact O-N 3.49Å; R173-S176 WeakPolarHBondContact CA-OG 3.43Å; R173-S176 PolarHBondContact O-N 3.39Å; R173-S176 PolarHBondContact O-OG 3.28Å; R173-E177 VanDerWaalsContact O-CG 3.3Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 3.03Å
174A86.8Confident85.1Confident12 Ų1272.7 Ų72.710%0.09941%0.407CS..Hα-helixtrans-58.8-40.6177.600000112.5A170 K171 E177 G178 R179 V181A170-A174 PolarHBondContact O-N 3.29Å; K171-A174 PolarHBondContact O-N 3.18Å; A174-E177 CarbonylContact O-C 3.55Å; A174-E177 PolarHBondContact O-N 3.16Å; A174-G178 PolarHBondContact O-N 3.23Å; A174-R179 HydrophobicContact CB-CB 4.25Å; A174-R179 WeakPolarHBondContact O-CB 3.39Å; A174-R179 PolarHBondContact O-N 3.48Å; A174-V181 HydrophobicContact CB-CG2 3.59Å
175A83.8Confident85Confident45 Ų4580.3 Ų80.337%0.37244%0.435SS..Hα-helixtrans-66.8-42176.300000112.9K171 R172 R173 E177 G178 V181K171-A175 VanDerWaalsContact O-CB 3.3Å; K171-A175 WeakPolarHBondContact O-CB 3.46Å; K171-A175 PolarHBondContact O-N 2.91Å; R172-A175 PolarHBondContact O-N 3.19Å; R173-A175 VanDerWaalsContact C-N 3.31Å; R173-A175 PolarHBondContact O-N 3.49Å; A175-E177 PolarHBondContact O-N 3.32Å; A175-G178 PolarHBondContact O-N 3.39Å; A175-V181 HydrophobicContact CB-CG2 4.36Å
176S81.9Confident84.9Confident102 Ų10285.9 Ų85.971%0.71346%0.461SS*.Hα-helixtrans-65.6-24.7174.351.40000113.5R172 R173 G178R172-S176 PolarHBondContact O-N 2.74Å; R172-S176 PolarHBondContact O-OG 3.15Å; R172-S176 VanDerWaalsContact O-OG 3.14Å; R173-S176 WeakPolarHBondContact CA-OG 3.43Å; R173-S176 PolarHBondContact O-N 3.39Å; R173-S176 PolarHBondContact O-OG 3.28Å; S176-G178 VanDerWaalsContact C-N 3.31Å
177E88.5Confident84.8Confident109 Ų10985.1 Ų85.151%0.50946%0.456SS..THydrogen-bonded Turntrans-87.95.4173.2-65.1170.2-11800113R173 A174 A175 R179R173-E177 VanDerWaalsContact O-CG 3.3Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 3.03Å; A174-E177 CarbonylContact O-C 3.55Å; A174-E177 PolarHBondContact O-N 3.16Å; A175-E177 PolarHBondContact O-N 3.32Å; E177-R179 HydrophobicContact CB-CG 4.11Å; E177-R179 PolarHBondContact O-N 2.86Å; E177-R179 IonicContact OE1-CZ 2.91Å; E177-R179 IonicContact OE1-NE 3.06Å; E177-R179 IonicContact OE1-NH2 2.69Å; E177-R179 PolarHBondContact OE1-NH2 3.25Å; E177-R179 IonicContact OE2-CZ 3.35Å; E177-R179 IonicContact OE2-NE 2.7Å; E177-R179 PolarHBondContact OE2-NE 3.13Å; E177-R179 IonicContact OE2-NH2 3.22Å; E177-R179 PolarHBondContact OE2-NH2 3.43Å
178G83.8Confident84.8Confident71 Ų7182.8 Ų82.873%0.73245%0.449SS*.THydrogen-bonded Turntrans67.99.6-177.500000115A174 A175 S176A174-G178 PolarHBondContact O-N 3.23Å; A175-G178 PolarHBondContact O-N 3.39Å; S176-G178 VanDerWaalsContact C-N 3.31Å
179R86.1Confident84.9Confident141 Ų14183.1 Ų83.153%0.53245%0.451SS..  trans-78136.7179.9-61.6-166.7-83.4136.6-8.9110A174 E177 V181A174-R179 HydrophobicContact CB-CB 4.25Å; A174-R179 WeakPolarHBondContact O-CB 3.39Å; A174-R179 PolarHBondContact O-N 3.48Å; E177-R179 HydrophobicContact CB-CG 4.11Å; E177-R179 PolarHBondContact O-N 2.86Å; E177-R179 IonicContact OE1-CZ 2.91Å; E177-R179 IonicContact OE1-NE 3.06Å; E177-R179 IonicContact OE1-NH2 2.69Å; E177-R179 PolarHBondContact OE1-NH2 3.25Å; E177-R179 IonicContact OE2-CZ 3.35Å; E177-R179 IonicContact OE2-NE 2.7Å; E177-R179 PolarHBondContact OE2-NE 3.13Å; E177-R179 IonicContact OE2-NH2 3.22Å; E177-R179 PolarHBondContact OE2-NH2 3.43Å; R179-V181 WeakPolarHBondContact O-CG2 3.42Å; R179-V181 PolarHBondContact O-N 2.81Å
180A75.5Confident85Confident110 Ų11082.4 Ų82.491%0.90944%0.443SS*.  trans-60.7130.9177.800000110.9
181V77.8Confident85.1Confident48 Ų4883.8 Ų83.829%0.29144%0.444SS..  trans-124.5131.3-177.7-155.10000111.9K171 A174 A175 R179K171-V181 HydrophobicContact CB-CG1 3.87Å; K171-V181 HydrophobicContact CD-CB 4.22Å; K171-V181 HydrophobicContact CD-CG1 3.81Å; K171-V181 HydrophobicContact CG-CB 4.16Å; K171-V181 HydrophobicContact CG-CG1 3.7Å; K171-V181 HydrophobicContact CG-CG2 4.41Å; A174-V181 HydrophobicContact CB-CG2 3.59Å; A175-V181 HydrophobicContact CB-CG2 4.36Å; R179-V181 WeakPolarHBondContact O-CG2 3.42Å; R179-V181 PolarHBondContact O-N 2.81Å
182N79.6Confident85.4Confident142 Ų14282.8 Ų82.876%0.75944%0.439SS*.PPolyproline II helixtrans-53.4143.5171.9-67.1-23.3000111.5K171K171-N182 PolarHBondContact NZ-O 2.71Å
183N80.8Confident85.7Confident128 Ų12879.7 Ų79.768%0.68443%0.428SS*.PPolyproline II helixtrans-81.5137172.5-74.5-23.4000110.4K171K171-N183 PolarHBondContact NZ-OD1 2.81Å
184V84.6Confident86Confident28 Ų2873.4 Ų73.417%0.1740%0.404CS..PPolyproline II helixtrans-70135.9165.1179.40000106.2M164 L168 E188 M189M164-V184 HydrophobicContact SD-CG1 4.26Å; L168-V184 HydrophobicContact CD2-CG2 4.07Å; V184-E188 HydrophobicContact CG1-CB 3.67Å; V184-M189 HydrophobicContact CG1-CB 4.46Å; V184-M189 HydrophobicContact CG1-CE 4.36Å
185R87.8Confident86.1Confident170 Ų17073.3 Ų73.364%0.64240%0.402SS*.PPolyproline II helixtrans-71.8147-178.6-57.5177.771.1-168.9-1.6109.1Q187 E188 M189R185-Q187 VanDerWaalsContact C-N 3.26Å; R185-Q187 PolarHBondContact O-N 3.49Å; R185-E188 HydrophobicContact CB-CB 4.29Å; R185-E188 HydrophobicContact CB-CG 3.99Å; R185-E188 WeakPolarHBondContact CD-OE1 3.47Å; R185-E188 WeakPolarHBondContact CG-OE1 3.42Å; R185-E188 PolarHBondContact N-OE2 2.76Å; R185-E188 WeakPolarHBondContact O-CA 3.42Å; R185-E188 WeakPolarHBondContact O-CB 3.25Å; R185-E188 PolarHBondContact O-N 3.02Å; R185-M189 PolarHBondContact O-N 3.25Å
186E86.3Confident86.4Confident137 Ų13771.1 Ų71.164%0.6438%0.384SS*.Hα-helixtrans-52.3-45.3-179.8-173176.9-176.100111.9E188 M189 I190E186-E188 VanDerWaalsContact C-N 3.35Å; E186-E188 PolarHBondContact O-N 3.13Å; E186-M189 WeakPolarHBondContact O-CB 3.39Å; E186-M189 PolarHBondContact O-N 2.78Å; E186-M189 VanDerWaalsContact O-N 3.1Å; E186-I190 HydrophobicContact CG-CD1 4.05Å; E186-I190 WeakPolarHBondContact O-CG1 3.36Å; E186-I190 PolarHBondContact O-N 2.7Å
187Q87.4Confident86.9Confident118 Ų11866.8 Ų66.855%0.55135%0.352SS*.Hα-helixtrans-63.7-34.2174.7-164.165.155.400113.8R185 M189 N191R185-Q187 VanDerWaalsContact C-N 3.26Å; R185-Q187 PolarHBondContact O-N 3.49Å; Q187-M189 VanDerWaalsContact C-N 3.29Å; Q187-M189 PolarHBondContact O-N 3.17Å; Q187-N191 PolarHBondContact NE2-OD1 3.44Å; Q187-N191 WeakPolarHBondContact O-CB 3.45Å; Q187-N191 PolarHBondContact O-N 3.04Å; Q187-N191 PolarHBondContact O-OD1 3.05Å; Q187-N191 VanDerWaalsContact O-OD1 3.05Å
188E89.2Confident86.8Confident53 Ų5365.5 Ų65.525%0.24834%0.342CS..Hα-helixtrans-66.9-33.7174.2-70.2167.4-15900111Y160 M164 R167 V184 R185 E186 F192Y160-E188 PolarHBondContact OH-O 2.99Å; M164-E188 HydrophobicContact CE-CB 4.07Å; R167-E188 IonicContact CZ-OE2 3.12Å; R167-E188 IonicContact NH1-OE2 3.08Å; R167-E188 PolarHBondContact NH1-OE2 2.93Å; R167-E188 IonicContact NH2-OE2 3.9Å; R167-E188 PolarHBondContact NH2-OE2 2.88Å; V184-E188 HydrophobicContact CG1-CB 3.67Å; R185-E188 HydrophobicContact CB-CB 4.29Å; R185-E188 HydrophobicContact CB-CG 3.99Å; R185-E188 WeakPolarHBondContact CD-OE1 3.47Å; R185-E188 WeakPolarHBondContact CG-OE1 3.42Å; R185-E188 PolarHBondContact N-OE2 2.76Å; R185-E188 WeakPolarHBondContact O-CA 3.42Å; R185-E188 WeakPolarHBondContact O-CB 3.25Å; R185-E188 PolarHBondContact O-N 3.02Å; E186-E188 VanDerWaalsContact C-N 3.35Å; E186-E188 PolarHBondContact O-N 3.13Å; E188-F192 WeakPolarHBondContact O-CB 3.31Å; E188-F192 PolarHBondContact O-N 2.92Å; E188-F192 VanDerWaalsContact O-N 3.13Å
189M90.3Very high86.8Confident16 Ų1665.7 Ų65.78%0.07932%0.321CS..Hα-helixtrans-74.7-42.9175.1-172.560.372.700112L168 V184 R185 E186 Q187 N191 F192 R193 D303L168-M189 HydrophobicContact CD1-CE 4.41Å; L168-M189 HydrophobicContact CD2-CE 4.02Å; V184-M189 HydrophobicContact CG1-CB 4.46Å; V184-M189 HydrophobicContact CG1-CE 4.36Å; R185-M189 PolarHBondContact O-N 3.25Å; E186-M189 WeakPolarHBondContact O-CB 3.39Å; E186-M189 PolarHBondContact O-N 2.78Å; E186-M189 VanDerWaalsContact O-N 3.1Å; Q187-M189 VanDerWaalsContact C-N 3.29Å; Q187-M189 PolarHBondContact O-N 3.17Å; M189-N191 VanDerWaalsContact C-N 3.33Å; M189-N191 PolarHBondContact O-N 3Å; M189-F192 PolarHBondContact O-N 3.01Å; M189-F192 HydrophobicContact SD-CD1 3.87Å; M189-R193 HydrophobicContact CG-CG 4.4Å; M189-R193 WeakPolarHBondContact O-CG 3.33Å; M189-R193 PolarHBondContact O-N 3.11Å; M189-R193 HydrophobicContact SD-CG 4.42Å; M189-D303 HydrophobicContact CE-CB 3.79Å
190I90.9Very high86.8Confident14 Ų1461 Ų617%0.07232%0.316CS..Hα-helixtrans-58.1-47174.4-70.1167.5000110.1E186 F192 R193 R194 R236 M239 V240E186-I190 HydrophobicContact CG-CD1 4.05Å; E186-I190 WeakPolarHBondContact O-CG1 3.36Å; E186-I190 PolarHBondContact O-N 2.7Å; I190-F192 VanDerWaalsContact C-N 3.32Å; I190-F192 PolarHBondContact O-N 3.26Å; I190-R193 PolarHBondContact O-N 3.23Å; I190-R194 VanDerWaalsContact O-CB 3.24Å; I190-R194 WeakPolarHBondContact O-CB 3.41Å; I190-R194 PolarHBondContact O-N 3Å; I190-R236 HydrophobicContact CG1-CG 4.06Å; I190-M239 HydrophobicContact CD1-CE 4.11Å; I190-V240 HydrophobicContact CB-CG2 4.36Å; I190-V240 HydrophobicContact CG1-CG2 4.49Å; I190-V240 HydrophobicContact CG2-CG2 3.96Å
191N89.9Confident87.4Confident74 Ų7456.5 Ų56.540%0.39628%0.278SS..Hα-helixtrans-65-34.6177.9-68.217.7000112.5Q187 M189 E195Q187-N191 PolarHBondContact NE2-OD1 3.44Å; Q187-N191 WeakPolarHBondContact O-CB 3.45Å; Q187-N191 PolarHBondContact O-N 3.04Å; Q187-N191 PolarHBondContact O-OD1 3.05Å; Q187-N191 VanDerWaalsContact O-OD1 3.05Å; M189-N191 VanDerWaalsContact C-N 3.33Å; M189-N191 PolarHBondContact O-N 3Å; N191-E195 PolarHBondContact O-N 3.48Å
192F91.6Very high88Confident0 Ų058.9 Ų58.90%028%0.282CS..Hα-helixtrans-68-50.3173.8172.9-112.7000112.3I161 M164 M165 L168 E188 M189 I190 R194 E195 L196 Y308I161-F192 HydrophobicContact CG2-CE2 4.1Å; M164-F192 HydrophobicContact CB-CD2 3.6Å; M164-F192 HydrophobicContact CB-CE2 3.88Å; M164-F192 HydrophobicContact CB-CG 4.24Å; M164-F192 HydrophobicContact CE-CB 4.48Å; M164-F192 HydrophobicContact CG-CB 4.04Å; M164-F192 HydrophobicContact CG-CD1 4.24Å; M164-F192 HydrophobicContact CG-CD2 3.57Å; M164-F192 HydrophobicContact CG-CE2 4.04Å; M164-F192 HydrophobicContact CG-CG 3.68Å; M165-F192 HydrophobicContact CE-CE2 4.35Å; M165-F192 HydrophobicContact CE-CZ 4.17Å; M165-F192 HydrophobicContact CG-CE2 3.85Å; M165-F192 HydrophobicContact CG-CZ 3.74Å; L168-F192 HydrophobicContact CD1-CD1 4.33Å; L168-F192 HydrophobicContact CD1-CE1 3.81Å; L168-F192 HydrophobicContact CD1-CZ 4.24Å; E188-F192 WeakPolarHBondContact O-CB 3.31Å; E188-F192 PolarHBondContact O-N 2.92Å; E188-F192 VanDerWaalsContact O-N 3.13Å; M189-F192 PolarHBondContact O-N 3.01Å; M189-F192 HydrophobicContact SD-CD1 3.87Å; I190-F192 VanDerWaalsContact C-N 3.32Å; I190-F192 PolarHBondContact O-N 3.26Å; F192-R194 VanDerWaalsContact C-N 3.29Å; F192-R194 PolarHBondContact O-N 3.37Å; F192-E195 PolarHBondContact O-N 3.12Å; F192-E195 VanDerWaalsContact O-N 3.14Å; F192-L196 HydrophobicContact CD1-CD1 4.36Å; F192-L196 HydrophobicContact CE1-CD1 3.81Å; F192-L196 HydrophobicContact CE1-CG 4.4Å; F192-L196 HydrophobicContact CE2-CD2 4.14Å; F192-L196 HydrophobicContact CE2-CG 4.42Å; F192-L196 HydrophobicContact CZ-CD1 3.95Å; F192-L196 HydrophobicContact CZ-CD2 4.06Å; F192-L196 HydrophobicContact CZ-CG 4.23Å; F192-L196 PolarHBondContact O-N 3.41Å; F192-L196 VanDerWaalsContact O-N 3.12Å; F192-Y308 HydrophobicContact CE1-CE2 4.2Å; F192-Y308 HydrophobicContact CZ-CD2 4.35Å
193R92.4Very high88.5Confident0 Ų052.3 Ų52.30%025%0.247CC..Hα-helixtrans-57.6-41.6175.6-68.8-65.8-63.3165.9-1.4111.7M189 I190 E195 L196 Y197 E237 V240 E288 Y308M189-R193 HydrophobicContact CG-CG 4.4Å; M189-R193 WeakPolarHBondContact O-CG 3.33Å; M189-R193 PolarHBondContact O-N 3.11Å; M189-R193 HydrophobicContact SD-CG 4.42Å; I190-R193 PolarHBondContact O-N 3.23Å; R193-E195 VanDerWaalsContact C-N 3.28Å; R193-E195 PolarHBondContact O-N 3.08Å; R193-L196 WeakPolarHBondContact O-CB 3.4Å; R193-L196 PolarHBondContact O-N 3.3Å; R193-L196 VanDerWaalsContact O-N 3.11Å; R193-Y197 VanDerWaalsContact O-CD2 3.31Å; R193-Y197 WeakPolarHBondContact O-CD2 3.12Å; R193-Y197 PolarHBondContact O-N 3.36Å; R193-Y197 VanDerWaalsContact O-N 3.08Å; R193-E237 IonicContact CZ-OE1 2.81Å; R193-E237 IonicContact CZ-OE2 3.19Å; R193-E237 IonicContact NE-OE1 2.71Å; R193-E237 PolarHBondContact NE-OE1 3.33Å; R193-E237 IonicContact NE-OE2 3.36Å; R193-E237 PolarHBondContact NE-OE2 2.94Å; R193-E237 IonicContact NH2-OE1 3.17Å; R193-E237 IonicContact NH2-OE2 2.67Å; R193-E237 PolarHBondContact NH2-OE2 3.3Å; R193-V240 HydrophobicContact CB-CG1 4.15Å; R193-V240 HydrophobicContact CB-CG2 3.67Å; R193-E288 IonicContact CZ-OE2 3.6Å; R193-E288 IonicContact NH1-OE2 2.79Å; R193-E288 PolarHBondContact NH1-OE2 2.9Å; R193-E288 IonicContact NH2-OE2 2.86Å; R193-E288 PolarHBondContact NH2-OE2 3.26Å; R193-Y308 PolarHBondContact NH1-OH 3.32Å
194R90.8Very high88.5Confident23 Ų2354.6 Ų54.69%0.08725%0.246CC..Hα-helixtrans-53.9-42.9175.1-179.4170.5-74.8-126.9-23.6112.5D141 G143 M145 I190 F192 R198 V240D141-R194 IonicContact OD2-NH1 3.66Å; D141-R194 PolarHBondContact OD2-NH1 3.46Å; G143-R194 PolarHBondContact O-NH2 3.1Å; M145-R194 HydrophobicContact CE-CG 3.69Å; M145-R194 WeakPolarHBondContact CE-O 3.46Å; M145-R194 HydrophobicContact CG-CG 4.03Å; M145-R194 VanDerWaalsContact SD-CD 3.6Å; M145-R194 HydrophobicContact SD-CG 3.35Å; M145-R194 WeakPolarHBondContact SD-CG 3.25Å; I190-R194 VanDerWaalsContact O-CB 3.24Å; I190-R194 WeakPolarHBondContact O-CB 3.41Å; I190-R194 PolarHBondContact O-N 3Å; F192-R194 VanDerWaalsContact C-N 3.29Å; F192-R194 PolarHBondContact O-N 3.37Å; R194-R198 PolarHBondContact O-N 3.01Å; R194-R198 VanDerWaalsContact O-N 3.12Å; R194-V240 HydrophobicContact CB-CG1 4.03Å; R194-V240 PolarHBondContact NH2-O 2.86Å
195E89.6Confident87.7Confident10 Ų1056.8 Ų56.85%0.04726%0.256CS..Hα-helixtrans-75-30.9178.5-166.961-150.800112.8I161 N191 F192 R193 R198 R199I161-E195 HydrophobicContact CD1-CB 4.49Å; I161-E195 HydrophobicContact CD1-CG 3.42Å; I161-E195 VanDerWaalsContact CD1-CG 3.42Å; I161-E195 HydrophobicContact CG1-CB 4.21Å; I161-E195 HydrophobicContact CG1-CG 3.46Å; I161-E195 VanDerWaalsContact CG1-CG 3.46Å; N191-E195 PolarHBondContact O-N 3.48Å; F192-E195 PolarHBondContact O-N 3.12Å; F192-E195 VanDerWaalsContact O-N 3.14Å; R193-E195 VanDerWaalsContact C-N 3.28Å; R193-E195 PolarHBondContact O-N 3.08Å; E195-R198 PolarHBondContact O-N 3.14Å; E195-R198 IonicContact OE2-CZ 2.68Å; E195-R198 IonicContact OE2-NH1 3.89Å; E195-R198 PolarHBondContact OE2-NH1 3.37Å; E195-R199 PolarHBondContact O-N 3.13Å
196L90.8Very high87.2Confident0 Ų049.7 Ų49.70%023%0.232CC..Hα-helixtrans-61.6-47.5171.1-61.7-179.6000111.4I161 M165 F192 R193 R198 R199 G200 V201 H284 Y308I161-L196 HydrophobicContact CG2-CD2 4.34Å; M165-L196 HydrophobicContact CE-CD2 3.58Å; F192-L196 HydrophobicContact CD1-CD1 4.36Å; F192-L196 HydrophobicContact CE1-CD1 3.81Å; F192-L196 HydrophobicContact CE1-CG 4.4Å; F192-L196 HydrophobicContact CE2-CD2 4.14Å; F192-L196 HydrophobicContact CE2-CG 4.42Å; F192-L196 HydrophobicContact CZ-CD1 3.95Å; F192-L196 HydrophobicContact CZ-CD2 4.06Å; F192-L196 HydrophobicContact CZ-CG 4.23Å; F192-L196 PolarHBondContact O-N 3.41Å; F192-L196 VanDerWaalsContact O-N 3.12Å; R193-L196 WeakPolarHBondContact O-CB 3.4Å; R193-L196 PolarHBondContact O-N 3.3Å; R193-L196 VanDerWaalsContact O-N 3.11Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 3.15Å; L196-R199 PolarHBondContact O-N 3.2Å; L196-G200 PolarHBondContact O-N 3.01Å; L196-V201 HydrophobicContact CD2-CB 4.05Å; L196-V201 HydrophobicContact CD2-CG1 3.96Å; L196-V201 PolarHBondContact O-N 3.49Å; L196-H284 PolarHBondContact O-CE1 2.77Å; L196-Y308 HydrophobicContact CD1-CD1 3.8Å; L196-Y308 HydrophobicContact CD1-CD2 4.34Å; L196-Y308 HydrophobicContact CD1-CE1 3.63Å; L196-Y308 HydrophobicContact CD1-CE2 4.19Å; L196-Y308 HydrophobicContact CD1-CG 4.16Å
197Y90.4Very high86Confident11 Ų1151.8 Ų51.84%0.04323%0.234CC..Hα-helixtrans-60.7-41.1175.1-79.2-77.3000112.6R193 R199 G200 E237 V240 L241 H284 F285R193-Y197 VanDerWaalsContact O-CD2 3.31Å; R193-Y197 WeakPolarHBondContact O-CD2 3.12Å; R193-Y197 PolarHBondContact O-N 3.36Å; R193-Y197 VanDerWaalsContact O-N 3.08Å; Y197-R199 PolarHBondContact O-N 3.42Å; Y197-G200 PolarHBondContact O-N 2.96Å; Y197-E237 WeakPolarHBondContact CE2-OE2 3.35Å; Y197-E237 VanDerWaalsContact CZ-OE2 3.31Å; Y197-E237 PolarHBondContact OH-OE2 3.45Å; Y197-V240 HydrophobicContact CD2-CG1 3.59Å; Y197-V240 HydrophobicContact CE2-CG1 3.93Å; Y197-L241 HydrophobicContact CD1-CD2 4.15Å; Y197-L241 HydrophobicContact CD2-CD2 4.44Å; Y197-L241 HydrophobicContact CE1-CD2 4.42Å; Y197-L241 HydrophobicContact CG-CD2 4.17Å; Y197-H284 HydrophobicContact CD1-CB 4.32Å; Y197-H284 AromaticContact CD1-CE1 3.97Å; Y197-H284 AromaticContact CD1-CG 3.83Å; Y197-H284 AromaticContact CD1-ND1 3.58Å; Y197-H284 HydrophobicContact CE1-CB 4.3Å; Y197-H284 AromaticContact CE1-CG 3.95Å; Y197-F285 HydrophobicContact CE1-CB 4.36Å
198R87.3Confident84.7Confident81 Ų8148.5 Ų48.531%0.30622%0.22SC..Hα-helixtrans-57.5-34.8177.2-175.5172.7-78.3130.5-6.8112.6M145 R194 E195 L196M145-R198 HydrophobicContact CE-CB 4Å; R194-R198 PolarHBondContact O-N 3.01Å; R194-R198 VanDerWaalsContact O-N 3.12Å; E195-R198 PolarHBondContact O-N 3.14Å; E195-R198 IonicContact OE2-CZ 2.68Å; E195-R198 IonicContact OE2-NH1 3.89Å; E195-R198 PolarHBondContact OE2-NH1 3.37Å; L196-R198 VanDerWaalsContact C-N 3.34Å; L196-R198 PolarHBondContact O-N 3.15Å
199R84.1Confident83.3Confident75 Ų7549.4 Ų49.428%0.28324%0.244SC..THydrogen-bonded Turntrans-1001.2-178.1-63.5-168.671.8-179.415115.1D158 I161 E195 L196 Y197 V201D158-R199 VanDerWaalsContact CG-CZ 3.42Å; D158-R199 IonicContact OD1-CZ 2.81Å; D158-R199 IonicContact OD1-NE 3.19Å; D158-R199 IonicContact OD1-NH1 2.72Å; D158-R199 PolarHBondContact OD1-NH1 3.33Å; D158-R199 IonicContact OD1-NH2 3.75Å; D158-R199 PolarHBondContact OD1-NH2 3.4Å; D158-R199 IonicContact OD2-CZ 2.8Å; D158-R199 IonicContact OD2-NH1 2.92Å; D158-R199 PolarHBondContact OD2-NH1 2.89Å; D158-R199 IonicContact OD2-NH2 3.76Å; D158-R199 PolarHBondContact OD2-NH2 3.36Å; I161-R199 HydrophobicContact CD1-CG 4.45Å; E195-R199 PolarHBondContact O-N 3.13Å; L196-R199 PolarHBondContact O-N 3.2Å; Y197-R199 PolarHBondContact O-N 3.42Å; R199-V201 HydrophobicContact CB-CG2 3.79Å; R199-V201 PolarHBondContact O-N 3.09Å
200G85.7Confident81.9Confident42 Ų4252.3 Ų52.343%0.43328%0.277SS..THydrogen-bonded Turntrans6516.4-173.800000114.9L196 Y197 R202L196-G200 PolarHBondContact O-N 3.01Å; Y197-G200 PolarHBondContact O-N 2.96Å; G200-R202 WeakPolarHBondContact O-CG 3.45Å; G200-R202 PolarHBondContact O-N 2.86Å
201V88.6Confident81.1Confident17 Ų1760.9 Ų60.910%0.10331%0.309CS..  trans-77.295.4-175.2176.80000110.4M165 L196 R199 H284 D309 P311M165-V201 HydrophobicContact CE-CG1 4.19Å; L196-V201 HydrophobicContact CD2-CB 4.05Å; L196-V201 HydrophobicContact CD2-CG1 3.96Å; L196-V201 PolarHBondContact O-N 3.49Å; R199-V201 HydrophobicContact CB-CG2 3.79Å; R199-V201 PolarHBondContact O-N 3.09Å; V201-H284 PolarHBondContact O-NE2 2.74Å; V201-D309 VanDerWaalsContact CG1-O 3.3Å; V201-D309 WeakPolarHBondContact CG1-O 2.99Å; V201-P311 HydrophobicContact CG2-CG 4.32Å
202R90.2Very high80.8Confident98 Ų9862.1 Ų62.137%0.3732%0.323SS..  trans-77158.9178.6-47.1-166.4-176-1680.9111.9G200 E283G200-R202 WeakPolarHBondContact O-CG 3.45Å; G200-R202 PolarHBondContact O-N 2.86Å; R202-E283 IonicContact NH2-OE2 3.07Å; R202-E283 PolarHBondContact NH2-OE2 3.44Å
203V89.4Confident80.5Confident4 Ų466.8 Ų66.82%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-71.5130.4169.972.80000109.7H287 E288 N291 A306 V307 Y308V203-H287 PolarHBondContact O-NE2 3.08Å; V203-E288 VanDerWaalsContact CB-OE1 3.3Å; V203-E288 WeakPolarHBondContact CB-OE1 3.43Å; V203-E288 VanDerWaalsContact CG1-OE1 3.25Å; V203-E288 WeakPolarHBondContact CG1-OE1 3.4Å; V203-E288 PolarHBondContact N-OE1 3.17Å; V203-N291 HydrophobicContact CG1-CB 3.69Å; V203-N291 VanDerWaalsContact CG1-CG 3.46Å; V203-A306 HydrophobicContact CG2-CB 3.92Å; V203-V307 WeakPolarHBondContact CG2-O 3.35Å; V203-Y308 HydrophobicContact CB-CD1 4.05Å; V203-Y308 HydrophobicContact CB-CE1 3.81Å; V203-Y308 HydrophobicContact CG2-CD1 4.4Å; V203-Y308 HydrophobicContact CG2-CE1 4.17Å
204R81.4Confident80.2Confident176 Ų17670.6 Ų70.666%0.66436%0.361SS*.EExtended strand (participates in β ladder)trans-87.3-39.8179.1-125.7-162.7-166.2138.9-0.5112.3V307 D309R204-V307 PolarHBondContact N-O 3.14Å; R204-D309 VanDerWaalsContact CD-OD1 3.27Å; R204-D309 WeakPolarHBondContact CD-OD1 3Å; R204-D309 VanDerWaalsContact CD-OD2 3.29Å; R204-D309 WeakPolarHBondContact CD-OD2 3.14Å; R204-D309 WeakPolarHBondContact CG-OD2 3.4Å; R204-D309 IonicContact CZ-OD1 3.81Å; R204-D309 IonicContact CZ-OD2 3.25Å; R204-D309 IonicContact NE-OD1 2.88Å; R204-D309 IonicContact NE-OD2 3.18Å; R204-D309 PolarHBondContact NE-OD2 2.88Å; R204-D309 VanDerWaalsContact NE-OD2 3.08Å; R204-D309 IonicContact NH1-OD1 2.72Å; R204-D309 PolarHBondContact NH1-OD1 2.72Å; R204-D309 IonicContact NH1-OD2 3Å; R204-D309 PolarHBondContact NH1-OD2 3.22Å; R204-D309 VanDerWaalsContact NH1-OD2 3.07Å; R204-D309 IonicContact NH2-OD2 2.78Å
205N68.6Low80Confident74 Ų7470 Ų7040%0.39636%0.36SS..EExtended strand (participates in β ladder)trans-155.7153.4167.950.266.8000111.6V307N205-V307 PolarHBondContact O-N 3.01Å
206V75.7Confident80Confident21 Ų2170.5 Ų70.513%0.12737%0.365CS..EExtended strand (participates in β ladder)trans-88.5130.1154.4-169.50000106.5D208 N291 F297 Y302 H305V206-D208 WeakPolarHBondContact CG1-OD2 3.24Å; V206-D208 PolarHBondContact O-N 2.91Å; V206-N291 HydrophobicContact CG2-CB 4.49Å; V206-F297 HydrophobicContact CG1-CD2 3.83Å; V206-F297 HydrophobicContact CG1-CE2 3.66Å; V206-Y302 HydrophobicContact CG1-CD2 4.44Å; V206-Y302 HydrophobicContact CG2-CD2 4.08Å; V206-Y302 HydrophobicContact CG2-CE2 3.48Å; V206-Y302 VanDerWaalsContact CG2-CE2 3.48Å; V206-H305 HydrophobicContact CG1-CB 3.88Å
207R61.7Low79.9Confident180 Ų18070.5 Ų70.568%0.67937%0.365SS*.  trans-76.274175.8-76.3-169.2172.2-151.6-2111.5H305 V307R207-H305 PolarHBondContact N-O 2.87Å; R207-H305 VanDerWaalsContact N-O 3.14Å; R207-V307 HydrophobicContact CG-CG2 4.02Å
208D61.1Low79.9Confident49 Ų4974.1 Ų74.126%0.26238%0.382SS..  trans-92.1146.7177.7-103.9-57.4000113.5V206 G210 P296 F297V206-D208 WeakPolarHBondContact CG1-OD2 3.24Å; V206-D208 PolarHBondContact O-N 2.91Å; D208-G210 PolarHBondContact O-N 3.03Å; D208-P296 WeakPolarHBondContact OD1-CD 3.45Å; D208-P296 WeakPolarHBondContact OD1-CG 3.5Å; D208-P296 WeakPolarHBondContact OD2-CD 3.32Å; D208-F297 WeakPolarHBondContact OD1-CE2 3.39Å; D208-F297 WeakPolarHBondContact OD2-CE2 3.31Å
209G58.1Low80.1Confident73 Ų7372.4 Ų72.475%0.75338%0.377SS*.SBendtrans-77.246.1175.500000113.4R211G209-R211 VanDerWaalsContact C-N 3.3Å; G209-R211 PolarHBondContact O-N 3.02Å
210G62Low80.4Confident76 Ų7669.2 Ų69.278%0.78437%0.365SS*.SBendtrans68.418.6179.100000115.7D208D208-G210 PolarHBondContact O-N 3.03Å
211R74.3Confident80.6Confident195 Ų19574.6 Ų74.674%0.73637%0.372SS*.  trans-115.787.2-176.3-65.7-173.9-174.2-141.3-0.1112.2G209G209-R211 VanDerWaalsContact C-N 3.3Å; G209-R211 PolarHBondContact O-N 3.02Å
212S83.1Confident80.8Confident99 Ų9981.4 Ų81.469%0.69240%0.396SS*.PPolyproline II helixtrans-71.2158.9164.648.90000111.8K294S212-K294 CarbonylContact C-O 3.54Å; S212-K294 VanDerWaalsContact CA-O 3.32Å; S212-K294 WeakPolarHBondContact CA-O 3.44Å
213R86Confident80.8Confident99 Ų9979.8 Ų79.837%0.37440%0.395SS..PPolyproline II helixtrans-100.8155.5162.2-63.1-170.6-178.2-149.98.7109.9K294 P296R213-K294 PolarHBondContact N-O 3.29Å; R213-P296 PolarHBondContact NH2-O 2.78Å
214D84.8Confident80.8Confident80 Ų8083.3 Ų83.343%0.42842%0.418SS..PPolyproline II helixtrans-63139.8166.2-165.4-25.7000110.6S216 F219 Y220D214-S216 WeakPolarHBondContact OD1-CB 3.48Å; D214-S216 PolarHBondContact OD1-N 3.25Å; D214-S216 PolarHBondContact OD1-OG 2.88Å; D214-F219 HydrophobicContact CB-CB 4.06Å; D214-F219 HydrophobicContact CB-CD1 4.03Å; D214-F219 HydrophobicContact CB-CD2 3.74Å; D214-F219 HydrophobicContact CB-CE1 4.45Å; D214-F219 HydrophobicContact CB-CE2 4.19Å; D214-F219 HydrophobicContact CB-CG 3.66Å; D214-F219 WeakPolarHBondContact OD1-CB 3.47Å; D214-F219 WeakPolarHBondContact OD2-CB 3.08Å; D214-Y220 PolarHBondContact O-OH 3.05Å
215T87.1Confident81.1Confident10 Ų1078.7 Ų78.76%0.06142%0.417CS..  trans-129.19.1-17643.70000113.4M265 A293 K294T215-M265 HydrophobicContact CG2-CE 3.61Å; T215-A293 HydrophobicContact CG2-CB 3.69Å; T215-K294 HydrophobicContact CG2-CB 4.39Å; T215-K294 HydrophobicContact CG2-CG 3.5Å; T215-K294 VanDerWaalsContact OG1-CE 3.25Å; T215-K294 WeakPolarHBondContact OG1-CE 3.43Å
216S89.6Confident82Confident21 Ų2177 Ų7715%0.14741%0.411CS..  trans-69.9146.3174.461.50000112.1D214 E218 F219 Y220 D264D214-S216 WeakPolarHBondContact OD1-CB 3.48Å; D214-S216 PolarHBondContact OD1-N 3.25Å; D214-S216 PolarHBondContact OD1-OG 2.88Å; S216-E218 PolarHBondContact O-N 3.05Å; S216-F219 WeakPolarHBondContact O-CB 3.48Å; S216-F219 PolarHBondContact O-N 2.97Å; S216-F219 WeakPolarHBondContact OG-CB 3.11Å; S216-F219 PolarHBondContact OG-N 3.49Å; S216-Y220 VanDerWaalsContact O-CD2 3.31Å; S216-Y220 WeakPolarHBondContact O-CD2 3.37Å; S216-Y220 PolarHBondContact O-N 3.18Å; S216-Y220 VanDerWaalsContact O-N 3.1Å; S216-D264 WeakPolarHBondContact CA-OD1 3.45Å; S216-D264 WeakPolarHBondContact CB-OD2 3.23Å
217A89.8Confident82.7Confident0 Ų076.9 Ų76.90%041%0.409CS..Hα-helixtrans-61.5-29.1168.700000111.6Y220 R221 I260 Y263 D264A217-Y220 PolarHBondContact O-N 2.75Å; A217-R221 WeakPolarHBondContact O-CB 3.47Å; A217-R221 VanDerWaalsContact O-CG 3.29Å; A217-R221 WeakPolarHBondContact O-CG 3.35Å; A217-R221 PolarHBondContact O-N 3.03Å; A217-R221 PolarHBondContact O-NE 3.48Å; A217-I260 WeakPolarHBondContact CA-O 3.28Å; A217-Y263 WeakPolarHBondContact CB-O 3.48Å; A217-D264 WeakPolarHBondContact CB-OD1 3.24Å; A217-D264 PolarHBondContact N-OD1 3.44Å
218E89.4Confident84Confident86 Ų8675.3 Ų75.340%0.40241%0.409SS..Hα-helixtrans-67.7-40.8173.7-151.2-168.6-155.700112S216 R221 R222S216-E218 PolarHBondContact O-N 3.05Å; E218-R221 PolarHBondContact O-N 2.82Å; E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.35Å; E218-R222 VanDerWaalsContact O-N 3.07Å; E218-R222 IonicContact OE1-CZ 3.65Å; E218-R222 IonicContact OE1-NH1 3.7Å; E218-R222 IonicContact OE1-NH2 2.69Å; E218-R222 PolarHBondContact OE1-NH2 2.7Å; E218-R222 IonicContact OE2-CZ 2.7Å; E218-R222 IonicContact OE2-NH1 2.76Å; E218-R222 PolarHBondContact OE2-NH1 3.47Å; E218-R222 IonicContact OE2-NH2 3.19Å; E218-R222 PolarHBondContact OE2-NH2 3.47Å
219F91.1Very high85.5Confident46 Ų4674.9 Ų74.920%0.20240%0.404CS..Hα-helixtrans-60.1-44.4171.1172.4-97.5000112.1D214 S216 R222 N223 C226D214-F219 HydrophobicContact CB-CB 4.06Å; D214-F219 HydrophobicContact CB-CD1 4.03Å; D214-F219 HydrophobicContact CB-CD2 3.74Å; D214-F219 HydrophobicContact CB-CE1 4.45Å; D214-F219 HydrophobicContact CB-CE2 4.19Å; D214-F219 HydrophobicContact CB-CG 3.66Å; D214-F219 WeakPolarHBondContact OD1-CB 3.47Å; D214-F219 WeakPolarHBondContact OD2-CB 3.08Å; S216-F219 WeakPolarHBondContact O-CB 3.48Å; S216-F219 PolarHBondContact O-N 2.97Å; S216-F219 WeakPolarHBondContact OG-CB 3.11Å; S216-F219 PolarHBondContact OG-N 3.49Å; F219-R222 PolarHBondContact O-N 3.29Å; F219-N223 WeakPolarHBondContact CD2-ND2 3.39Å; F219-N223 HydrophobicContact CE2-CB 4.43Å; F219-N223 HydrophobicContact CZ-CB 4.28Å; F219-N223 WeakPolarHBondContact O-CB 3.15Å; F219-N223 PolarHBondContact O-N 3.31Å; F219-N223 PolarHBondContact O-ND2 3.37Å; F219-C226 HydrophobicContact CE1-CB 3.92Å; F219-C226 HydrophobicContact CZ-CB 4.31Å
220Y91.1Very high87.2Confident7 Ų771.5 Ų71.53%0.02737%0.369CS..Hα-helixtrans-70.6-34.2178.8-66.5-48000113.9D214 S216 A217 R222 N223 P224 C226 L227 M265D214-Y220 PolarHBondContact O-OH 3.05Å; S216-Y220 VanDerWaalsContact O-CD2 3.31Å; S216-Y220 WeakPolarHBondContact O-CD2 3.37Å; S216-Y220 PolarHBondContact O-N 3.18Å; S216-Y220 VanDerWaalsContact O-N 3.1Å; A217-Y220 PolarHBondContact O-N 2.75Å; Y220-R222 VanDerWaalsContact C-N 3.35Å; Y220-N223 CarbonylContact O-C 3.57Å; Y220-N223 VanDerWaalsContact O-C 3.24Å; Y220-N223 PolarHBondContact O-N 3.23Å; Y220-P224 WeakPolarHBondContact O-CA 3.39Å; Y220-C226 HydrophobicContact CD1-CB 4.25Å; Y220-C226 HydrophobicContact CE1-CB 4.26Å; Y220-L227 HydrophobicContact CD1-CD2 3.55Å; Y220-L227 HydrophobicContact CD1-CG 4.16Å; Y220-L227 HydrophobicContact CD2-CD2 4.1Å; Y220-L227 HydrophobicContact CE1-CD2 4.2Å; Y220-L227 HydrophobicContact CG-CD2 3.53Å; Y220-L227 HydrophobicContact CG-CG 4.35Å; Y220-M265 HydrophobicContact CE2-CE 3.64Å; Y220-M265 HydrophobicContact CE2-SD 4.22Å
221R90.4Very high88.7Confident155 Ų15570 Ų7059%0.58534%0.344SS*.Hα-helixtrans-61.4-41.6170.7-79.2-177.7-73.4151.5-6.3112A217 E218 A261A217-R221 WeakPolarHBondContact O-CB 3.47Å; A217-R221 VanDerWaalsContact O-CG 3.29Å; A217-R221 WeakPolarHBondContact O-CG 3.35Å; A217-R221 PolarHBondContact O-N 3.03Å; A217-R221 PolarHBondContact O-NE 3.48Å; E218-R221 PolarHBondContact O-N 2.82Å; R221-A261 VanDerWaalsContact CD-O 3.23Å; R221-A261 WeakPolarHBondContact CD-O 3.5Å; R221-A261 HydrophobicContact CG-CB 4.46Å; R221-A261 WeakPolarHBondContact CG-O 3.39Å
222R91.6Very high89.7Confident160 Ų16063.9 Ų63.960%0.60433%0.33SS*.Hα-helixtrans-71.6-31.5174.3-68.4-179.2-174.7115.6-0.2113.1E218 F219 Y220 P224E218-R222 WeakPolarHBondContact O-CG 3.43Å; E218-R222 PolarHBondContact O-N 3.35Å; E218-R222 VanDerWaalsContact O-N 3.07Å; E218-R222 IonicContact OE1-CZ 3.65Å; E218-R222 IonicContact OE1-NH1 3.7Å; E218-R222 IonicContact OE1-NH2 2.69Å; E218-R222 PolarHBondContact OE1-NH2 2.7Å; E218-R222 IonicContact OE2-CZ 2.7Å; E218-R222 IonicContact OE2-NH1 2.76Å; E218-R222 PolarHBondContact OE2-NH1 3.47Å; E218-R222 IonicContact OE2-NH2 3.19Å; E218-R222 PolarHBondContact OE2-NH2 3.47Å; F219-R222 PolarHBondContact O-N 3.29Å; Y220-R222 VanDerWaalsContact C-N 3.35Å; R222-P224 WeakPolarHBondContact O-CD 3.29Å
223N90.5Very high90.2Very high65 Ų6559.1 Ų59.135%0.34830%0.297SS..  trans-127.964-171.4-57-86.5000112.4F219 Y220 A225 C226F219-N223 WeakPolarHBondContact CD2-ND2 3.39Å; F219-N223 HydrophobicContact CE2-CB 4.43Å; F219-N223 HydrophobicContact CZ-CB 4.28Å; F219-N223 WeakPolarHBondContact O-CB 3.15Å; F219-N223 PolarHBondContact O-N 3.31Å; F219-N223 PolarHBondContact O-ND2 3.37Å; Y220-N223 CarbonylContact O-C 3.57Å; Y220-N223 VanDerWaalsContact O-C 3.24Å; Y220-N223 PolarHBondContact O-N 3.23Å; N223-A225 PolarHBondContact O-N 3.07Å; N223-A225 VanDerWaalsContact O-N 3.08Å; N223-C226 HydrophobicContact CB-CB 4.35Å; N223-C226 WeakPolarHBondContact O-CB 3.41Å; N223-C226 PolarHBondContact O-N 3.41Å
224P88.6Confident90.7Very high78 Ų7854.4 Ų54.451%0.50628%0.279SS..G310 helixtrans-60.3-26-176.423.1-34.1000113.2Y220 R222 C226 L227Y220-P224 WeakPolarHBondContact O-CA 3.39Å; R222-P224 WeakPolarHBondContact O-CD 3.29Å; P224-C226 PolarHBondContact O-N 2.8Å; P224-L227 VanDerWaalsContact O-CB 3.29Å; P224-L227 WeakPolarHBondContact O-CB 3.35Å; P224-L227 PolarHBondContact O-N 3Å
225A88.4Confident91.1Very high79 Ų7955.5 Ų55.565%0.65328%0.28SS*.G310 helixtrans-61.2-26.617300000113.6N223 L227 H228N223-A225 PolarHBondContact O-N 3.07Å; N223-A225 VanDerWaalsContact O-N 3.08Å; A225-L227 VanDerWaalsContact C-N 3.26Å; A225-L227 PolarHBondContact O-N 3.12Å; A225-H228 WeakPolarHBondContact O-CB 3.3Å; A225-H228 PolarHBondContact O-N 3.07Å
226C88.7Confident91.4Very high38 Ų3855.5 Ų55.526%0.25728%0.278SS..G310 helixtrans-68.1-26.7177.4-67.70000112.7F219 Y220 N223 P224 H228 R229F219-C226 HydrophobicContact CE1-CB 3.92Å; F219-C226 HydrophobicContact CZ-CB 4.31Å; Y220-C226 HydrophobicContact CD1-CB 4.25Å; Y220-C226 HydrophobicContact CE1-CB 4.26Å; N223-C226 HydrophobicContact CB-CB 4.35Å; N223-C226 WeakPolarHBondContact O-CB 3.41Å; N223-C226 PolarHBondContact O-N 3.41Å; P224-C226 PolarHBondContact O-N 2.8Å; C226-H228 PolarHBondContact O-N 3.12Å; C226-R229 PolarHBondContact O-N 2.87Å
227L89.7Confident91.6Very high18 Ų1854.5 Ų54.59%0.09427%0.271CS..G310 helixtrans-62.9-25.9175.9-60.8174.1000112.5Y220 P224 A225 R229 L230 V231 M257 I260Y220-L227 HydrophobicContact CD1-CD2 3.55Å; Y220-L227 HydrophobicContact CD1-CG 4.16Å; Y220-L227 HydrophobicContact CD2-CD2 4.1Å; Y220-L227 HydrophobicContact CE1-CD2 4.2Å; Y220-L227 HydrophobicContact CG-CD2 3.53Å; Y220-L227 HydrophobicContact CG-CG 4.35Å; P224-L227 VanDerWaalsContact O-CB 3.29Å; P224-L227 WeakPolarHBondContact O-CB 3.35Å; P224-L227 PolarHBondContact O-N 3Å; A225-L227 VanDerWaalsContact C-N 3.26Å; A225-L227 PolarHBondContact O-N 3.12Å; L227-R229 PolarHBondContact O-N 2.89Å; L227-R229 VanDerWaalsContact O-N 3.14Å; L227-L230 HydrophobicContact CD2-CD1 4.01Å; L227-L230 WeakPolarHBondContact O-CB 3.25Å; L227-L230 PolarHBondContact O-N 3.39Å; L227-V231 PolarHBondContact O-N 3.48Å; L227-M257 HydrophobicContact CB-CE 3.69Å; L227-M257 HydrophobicContact CB-SD 4.44Å; L227-I260 HydrophobicContact CD2-CD1 3.7Å; L227-I260 HydrophobicContact CD2-CG1 4.01Å
228H89.5Confident91.8Very high147 Ų14754.5 Ų54.568%0.68127%0.271SS*.G310 helixtrans-61.6-22.9178-75.8-124.4000113.2A225 C226 L230 P232A225-H228 WeakPolarHBondContact O-CB 3.3Å; A225-H228 PolarHBondContact O-N 3.07Å; C226-H228 PolarHBondContact O-N 3.12Å; H228-L230 VanDerWaalsContact C-N 3.32Å; H228-P232 WeakPolarHBondContact O-CD 3.22Å
229R92.4Very high91.9Very high41 Ų4152.4 Ų52.416%0.15526%0.262CS..G310 helixtrans-71.3-28.7173.3-169.8-17971.8970.2112.4C226 L227 P232 F292 A293 S295 F297C226-R229 PolarHBondContact O-N 2.87Å; L227-R229 PolarHBondContact O-N 2.89Å; L227-R229 VanDerWaalsContact O-N 3.14Å; R229-P232 WeakPolarHBondContact O-CD 3.45Å; R229-F292 HydrophobicContact CG-CE1 4.41Å; R229-F292 HydrophobicContact CG-CZ 4.24Å; R229-F292 PolarHBondContact NH1-O 2.79Å; R229-F292 PolarHBondContact NH2-O 3.32Å; R229-F292 WeakPolarHBondContact O-CE1 2.93Å; R229-A293 VanDerWaalsContact NH2-C 3.3Å; R229-A293 VanDerWaalsContact NH2-CA 3.3Å; R229-A293 PolarHBondContact NH2-O 3.41Å; R229-S295 VanDerWaalsContact CZ-O 3.22Å; R229-S295 PolarHBondContact NH1-O 2.93Å; R229-S295 VanDerWaalsContact NH1-O 3.08Å; R229-S295 PolarHBondContact NH2-O 3.06Å; R229-F297 WeakPolarHBondContact CD-O 3.42Å; R229-F297 PolarHBondContact NH1-O 3.2Å
230L93.6Very high92Very high1 Ų150.2 Ų50.21%0.00525%0.253CS..Hα-helixtrans-78.1-31.7-176.5-54-179.2000111.7L227 H228 W233 L234 M257 I260 F289 F292 A293L227-L230 HydrophobicContact CD2-CD1 4.01Å; L227-L230 WeakPolarHBondContact O-CB 3.25Å; L227-L230 PolarHBondContact O-N 3.39Å; H228-L230 VanDerWaalsContact C-N 3.32Å; L230-W233 PolarHBondContact O-N 2.69Å; L230-W233 VanDerWaalsContact O-N 3.16Å; L230-L234 HydrophobicContact CB-CD1 4.2Å; L230-L234 WeakPolarHBondContact O-CG 3.13Å; L230-L234 PolarHBondContact O-N 2.76Å; L230-M257 HydrophobicContact CB-SD 4.46Å; L230-I260 HydrophobicContact CD1-CD1 3.8Å; L230-F289 HydrophobicContact CB-CE2 4.17Å; L230-F289 HydrophobicContact CD1-CE2 4.19Å; L230-F289 HydrophobicContact CD1-CZ 4.03Å; L230-F289 HydrophobicContact CD2-CE2 4.16Å; L230-F289 HydrophobicContact CG-CE2 4.39Å; L230-F292 HydrophobicContact CD2-CD1 3.93Å; L230-F292 HydrophobicContact CD2-CE1 3.97Å; L230-A293 HydrophobicContact CD2-CB 4.08Å
231V93.6Very high91.9Very high45 Ų4550 Ų5027%0.27325%0.252SS..Hα-helixtrans-54.3-48.4-176172.80000114.5L227 W233 L234 K235 M257L227-V231 PolarHBondContact O-N 3.48Å; V231-W233 VanDerWaalsContact C-N 3.32Å; V231-W233 PolarHBondContact O-N 3.42Å; V231-L234 PolarHBondContact O-N 2.91Å; V231-K235 WeakPolarHBondContact O-CB 3.3Å; V231-K235 PolarHBondContact O-N 2.91Å; V231-M257 HydrophobicContact CG2-CE 3.45Å; V231-M257 VanDerWaalsContact CG2-CE 3.45Å; V231-M257 HydrophobicContact CG2-SD 3.98Å
232P93.6Very high91.8Very high66 Ų6643.1 Ų43.143%0.42923%0.226SC..Hα-helixtrans-63.7-36.4178.8-2334.9000113.3H228 R229 R236 L299H228-P232 WeakPolarHBondContact O-CD 3.22Å; R229-P232 WeakPolarHBondContact O-CD 3.45Å; P232-R236 PolarHBondContact O-N 2.65Å; P232-L299 HydrophobicContact CB-CD2 4.22Å
233W95.4Very high91.5Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-68.5-52.9176.8-17399.6000110.5L230 V231 K235 R236 E237 F285 E288 F289 F292 L299 Y302L230-W233 PolarHBondContact O-N 2.69Å; L230-W233 VanDerWaalsContact O-N 3.16Å; V231-W233 VanDerWaalsContact C-N 3.32Å; V231-W233 PolarHBondContact O-N 3.42Å; W233-K235 VanDerWaalsContact C-N 3.3Å; W233-K235 PolarHBondContact O-N 3.22Å; W233-R236 WeakPolarHBondContact O-CB 3.39Å; W233-R236 PolarHBondContact O-N 2.69Å; W233-E237 HydrophobicContact CD2-CG 3.71Å; W233-E237 HydrophobicContact CE3-CB 4.32Å; W233-E237 HydrophobicContact CE3-CG 3.74Å; W233-E237 HydrophobicContact CG-CG 4.46Å; W233-E237 HydrophobicContact CH2-CB 4.28Å; W233-E237 HydrophobicContact CH2-CG 3.67Å; W233-E237 HydrophobicContact CZ2-CG 3.68Å; W233-E237 HydrophobicContact CZ3-CB 4.07Å; W233-E237 HydrophobicContact CZ3-CG 3.71Å; W233-E237 WeakPolarHBondContact O-CG 3.32Å; W233-E237 PolarHBondContact O-N 2.97Å; W233-F285 HydrophobicContact CH2-CE2 4.33Å; W233-F285 AromaticContact CZ3-CE2 3.91Å; W233-F285 HydrophobicContact CZ3-CE2 3.91Å; W233-F285 AromaticContact CZ3-CZ 3.94Å; W233-F285 HydrophobicContact CZ3-CZ 3.94Å; W233-E288 HydrophobicContact CH2-CB 4.05Å; W233-E288 VanDerWaalsContact CZ2-C 3.5Å; W233-E288 HydrophobicContact CZ2-CB 3.79Å; W233-E288 WeakPolarHBondContact CZ2-O 3.18Å; W233-F289 HydrophobicContact CD2-CD2 4.4Å; W233-F289 AromaticContact CE3-CD2 3.54Å; W233-F289 HydrophobicContact CE3-CD2 3.54Å; W233-F289 HydrophobicContact CE3-CE2 4.22Å; W233-F289 HydrophobicContact CE3-CG 4.4Å; W233-F289 HydrophobicContact CH2-CB 3.46Å; W233-F289 VanDerWaalsContact CH2-CB 3.46Å; W233-F289 HydrophobicContact CH2-CD2 4.07Å; W233-F289 HydrophobicContact CH2-CG 4.18Å; W233-F289 HydrophobicContact CZ2-CB 4.32Å; W233-F289 HydrophobicContact CZ3-CB 3.56Å; W233-F289 AromaticContact CZ3-CD2 3.36Å; W233-F289 HydrophobicContact CZ3-CD2 3.36Å; W233-F289 HydrophobicContact CZ3-CE2 4.33Å; W233-F289 AromaticContact CZ3-CG 3.77Å; W233-F289 HydrophobicContact CZ3-CG 3.77Å; W233-F292 HydrophobicContact CB-CD1 3.69Å; W233-F292 HydrophobicContact CB-CE1 3.5Å; W233-F292 HydrophobicContact CB-CE2 4.38Å; W233-F292 HydrophobicContact CB-CG 4.21Å; W233-F292 HydrophobicContact CB-CZ 3.88Å; W233-F292 AromaticContact CD1-CD1 3.69Å; W233-F292 AromaticContact CD1-CD2 3.34Å; W233-F292 AromaticContact CD1-CE2 3.8Å; W233-F292 AromaticContact CD1-CG 3.28Å; W233-F292 HydrophobicContact CD2-CB 4.21Å; W233-F292 HydrophobicContact CD2-CD1 4.09Å; W233-F292 HydrophobicContact CD2-CG 4.13Å; W233-F292 HydrophobicContact CG-CB 4.2Å; W233-F292 AromaticContact CG-CD1 3.54Å; W233-F292 HydrophobicContact CG-CD1 3.54Å; W233-F292 HydrophobicContact CG-CD2 4.05Å; W233-F292 AromaticContact CG-CE1 3.88Å; W233-F292 HydrophobicContact CG-CE1 3.88Å; W233-F292 HydrophobicContact CG-CE2 4.35Å; W233-F292 AromaticContact CG-CG 3.64Å; W233-F292 HydrophobicContact CG-CG 3.64Å; W233-F292 HydrophobicContact CG-CZ 4.27Å; W233-F292 HydrophobicContact CZ2-CB 4.38Å; W233-F292 AromaticContact NE1-CD2 3.82Å; W233-F292 AromaticContact NE1-CG 3.58Å; W233-L299 HydrophobicContact CB-CD1 4Å; W233-L299 HydrophobicContact CG-CD1 4.12Å; W233-Y302 AromaticContact NE1-CE1 3.98Å
234L95.1Very high91.2Very high0 Ų036.7 Ų36.70%022%0.217CC..Hα-helixtrans-53.9-47.8177.3-72.7172.6000111L230 V231 R236 E237 L238 Q253 I256 M257 F285 F289L230-L234 HydrophobicContact CB-CD1 4.2Å; L230-L234 WeakPolarHBondContact O-CG 3.13Å; L230-L234 PolarHBondContact O-N 2.76Å; V231-L234 PolarHBondContact O-N 2.91Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 2.96Å; L234-E237 PolarHBondContact O-N 3.35Å; L234-L238 HydrophobicContact CB-CD1 4.33Å; L234-L238 VanDerWaalsContact O-CB 3.28Å; L234-L238 WeakPolarHBondContact O-CB 3.4Å; L234-L238 WeakPolarHBondContact O-CD1 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.04Å; L234-L238 PolarHBondContact O-N 3.06Å; L234-Q253 HydrophobicContact CB-CG 4.1Å; L234-Q253 HydrophobicContact CD1-CG 4.37Å; L234-I256 HydrophobicContact CD1-CG2 4.23Å; L234-I256 HydrophobicContact CD2-CD1 4.32Å; L234-I256 HydrophobicContact CD2-CG2 3.88Å; L234-M257 HydrophobicContact CD1-CG 3.8Å; L234-M257 HydrophobicContact CD1-SD 3.58Å; L234-M257 VanDerWaalsContact CD1-SD 3.58Å; L234-F285 HydrophobicContact CD2-CE1 4.34Å; L234-F285 HydrophobicContact CD2-CZ 3.66Å; L234-F289 HydrophobicContact CD1-CE2 4.31Å; L234-F289 HydrophobicContact CD1-CZ 4.34Å; L234-F289 HydrophobicContact CD2-CD2 4.01Å; L234-F289 HydrophobicContact CD2-CE2 3.62Å; L234-F289 HydrophobicContact CD2-CZ 3.9Å; L234-F289 HydrophobicContact CG-CE2 3.93Å; L234-F289 HydrophobicContact CG-CZ 4.37Å
235K93.4Very high90.9Very high102 Ų10236.6 Ų36.644%0.44321%0.21SC..Hα-helixtrans-58.3-44.1177.8-171.8-179.7-178.5-171.70112.2V231 W233 M239 V249V231-K235 WeakPolarHBondContact O-CB 3.3Å; V231-K235 PolarHBondContact O-N 2.91Å; W233-K235 VanDerWaalsContact C-N 3.3Å; W233-K235 PolarHBondContact O-N 3.22Å; K235-M239 HydrophobicContact CG-CE 4.27Å; K235-M239 HydrophobicContact CG-SD 4.44Å; K235-M239 WeakPolarHBondContact O-CB 3.41Å; K235-M239 VanDerWaalsContact O-CG 3.24Å; K235-M239 WeakPolarHBondContact O-CG 3.44Å; K235-M239 PolarHBondContact O-N 2.9Å; K235-V249 HydrophobicContact CG-CG1 4.26Å
236R93.9Very high90.8Very high10 Ų1034.6 Ų34.64%0.03820%0.197CC..Hα-helixtrans-61.6-49.4176.6-172.2-168.671.5-167.40.5111.4I190 P232 W233 L234 M239 V240 D303I190-R236 HydrophobicContact CG1-CG 4.06Å; P232-R236 PolarHBondContact O-N 2.65Å; W233-R236 WeakPolarHBondContact O-CB 3.39Å; W233-R236 PolarHBondContact O-N 2.69Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 2.96Å; R236-M239 CarbonylContact O-C 3.24Å; R236-M239 WeakPolarHBondContact O-CB 3.46Å; R236-M239 PolarHBondContact O-N 3.41Å; R236-V240 VanDerWaalsContact O-CG2 3.32Å; R236-V240 WeakPolarHBondContact O-CG2 3.38Å; R236-V240 PolarHBondContact O-N 3.04Å; R236-D303 IonicContact CZ-OD1 3.02Å; R236-D303 IonicContact NH1-OD1 2.62Å; R236-D303 PolarHBondContact NH1-OD1 2.95Å; R236-D303 IonicContact NH1-OD2 3.54Å; R236-D303 PolarHBondContact NH1-OD2 2.86Å; R236-D303 IonicContact NH2-OD1 3.07Å
237E93.9Very high90.8Very high0 Ų037 Ų370%021%0.214CC..Hα-helixtrans-70.7-35.1-173.6-60.7-67.511700112R193 Y197 W233 L234 V240 L241 F285R193-E237 IonicContact CZ-OE1 2.81Å; R193-E237 IonicContact CZ-OE2 3.19Å; R193-E237 IonicContact NE-OE1 2.71Å; R193-E237 PolarHBondContact NE-OE1 3.33Å; R193-E237 IonicContact NE-OE2 3.36Å; R193-E237 PolarHBondContact NE-OE2 2.94Å; R193-E237 IonicContact NH2-OE1 3.17Å; R193-E237 IonicContact NH2-OE2 2.67Å; R193-E237 PolarHBondContact NH2-OE2 3.3Å; Y197-E237 WeakPolarHBondContact CE2-OE2 3.35Å; Y197-E237 VanDerWaalsContact CZ-OE2 3.31Å; Y197-E237 PolarHBondContact OH-OE2 3.45Å; W233-E237 HydrophobicContact CD2-CG 3.71Å; W233-E237 HydrophobicContact CE3-CB 4.32Å; W233-E237 HydrophobicContact CE3-CG 3.74Å; W233-E237 HydrophobicContact CG-CG 4.46Å; W233-E237 HydrophobicContact CH2-CB 4.28Å; W233-E237 HydrophobicContact CH2-CG 3.67Å; W233-E237 HydrophobicContact CZ2-CG 3.68Å; W233-E237 HydrophobicContact CZ3-CB 4.07Å; W233-E237 HydrophobicContact CZ3-CG 3.71Å; W233-E237 WeakPolarHBondContact O-CG 3.32Å; W233-E237 PolarHBondContact O-N 2.97Å; L234-E237 PolarHBondContact O-N 3.35Å; E237-V240 WeakPolarHBondContact O-CA 3.4Å; E237-V240 VanDerWaalsContact O-CB 3.31Å; E237-V240 WeakPolarHBondContact O-CB 3.27Å; E237-V240 PolarHBondContact O-N 2.93Å; E237-V240 VanDerWaalsContact O-N 3.09Å; E237-L241 WeakPolarHBondContact O-CG 3.36Å; E237-L241 PolarHBondContact O-N 2.85Å; E237-F285 HydrophobicContact CB-CD2 4.35Å; E237-F285 HydrophobicContact CB-CE2 3.84Å
238L93.4Very high90.8Very high0 Ų039.2 Ų39.20%023%0.226CC..Hα-helixtrans-69.4-35.3172.1-62.8166.6000111.3L234 V240 L241 Y242 V249 V252 Q253 I256 L278 F285L234-L238 HydrophobicContact CB-CD1 4.33Å; L234-L238 VanDerWaalsContact O-CB 3.28Å; L234-L238 WeakPolarHBondContact O-CB 3.4Å; L234-L238 WeakPolarHBondContact O-CD1 3.27Å; L234-L238 WeakPolarHBondContact O-CG 3.04Å; L234-L238 PolarHBondContact O-N 3.06Å; L238-V240 VanDerWaalsContact C-N 3.28Å; L238-V240 PolarHBondContact O-N 3.45Å; L238-L241 PolarHBondContact O-N 3.46Å; L238-Y242 HydrophobicContact CB-CD2 4.26Å; L238-Y242 HydrophobicContact CB-CE2 4.5Å; L238-Y242 HydrophobicContact CD2-CD2 4.34Å; L238-Y242 HydrophobicContact CD2-CE2 3.74Å; L238-Y242 WeakPolarHBondContact O-CB 3.48Å; L238-Y242 VanDerWaalsContact O-CD2 3.3Å; L238-Y242 WeakPolarHBondContact O-CD2 3.35Å; L238-Y242 PolarHBondContact O-N 3.26Å; L238-V249 HydrophobicContact CB-CB 4.34Å; L238-V249 HydrophobicContact CB-CG1 3.88Å; L238-V249 HydrophobicContact CB-CG2 4.11Å; L238-V252 HydrophobicContact CD2-CB 4.2Å; L238-V252 HydrophobicContact CD2-CG1 3.66Å; L238-Q253 HydrophobicContact CD1-CB 3.63Å; L238-Q253 HydrophobicContact CD1-CG 4.24Å; L238-I256 HydrophobicContact CD1-CD1 4.36Å; L238-I256 HydrophobicContact CD2-CD1 3.99Å; L238-L278 HydrophobicContact CD2-CD2 4.14Å; L238-F285 HydrophobicContact CD2-CE2 4.33Å; L238-F285 HydrophobicContact CD2-CZ 4.46Å
239M92.1Very high90.9Very high43 Ų4332.3 Ų32.321%0.21219%0.194CC..Hα-helixtrans-67.7-25.8167.2-71-175.8-49.700112.8I190 K235 R236 G243 V249I190-M239 HydrophobicContact CD1-CE 4.11Å; K235-M239 HydrophobicContact CG-CE 4.27Å; K235-M239 HydrophobicContact CG-SD 4.44Å; K235-M239 WeakPolarHBondContact O-CB 3.41Å; K235-M239 VanDerWaalsContact O-CG 3.24Å; K235-M239 WeakPolarHBondContact O-CG 3.44Å; K235-M239 PolarHBondContact O-N 2.9Å; R236-M239 CarbonylContact O-C 3.24Å; R236-M239 WeakPolarHBondContact O-CB 3.46Å; R236-M239 PolarHBondContact O-N 3.41Å; M239-G243 WeakPolarHBondContact O-CA 3.43Å; M239-G243 PolarHBondContact O-N 3.05Å; M239-V249 HydrophobicContact CG-CG1 4.38Å; M239-V249 HydrophobicContact CG-CG2 4.19Å
240V92.4Very high90.8Very high0 Ų034.8 Ų34.80%021%0.21CC..Hα-helixtrans-69.7-40.1172.9166.70000110.9M145 I190 R193 R194 Y197 R236 E237 L238M145-V240 WeakPolarHBondContact CG-O 3.36Å; I190-V240 HydrophobicContact CB-CG2 4.36Å; I190-V240 HydrophobicContact CG1-CG2 4.49Å; I190-V240 HydrophobicContact CG2-CG2 3.96Å; R193-V240 HydrophobicContact CB-CG1 4.15Å; R193-V240 HydrophobicContact CB-CG2 3.67Å; R194-V240 HydrophobicContact CB-CG1 4.03Å; R194-V240 PolarHBondContact NH2-O 2.86Å; Y197-V240 HydrophobicContact CD2-CG1 3.59Å; Y197-V240 HydrophobicContact CE2-CG1 3.93Å; R236-V240 VanDerWaalsContact O-CG2 3.32Å; R236-V240 WeakPolarHBondContact O-CG2 3.38Å; R236-V240 PolarHBondContact O-N 3.04Å; E237-V240 WeakPolarHBondContact O-CA 3.4Å; E237-V240 VanDerWaalsContact O-CB 3.31Å; E237-V240 WeakPolarHBondContact O-CB 3.27Å; E237-V240 PolarHBondContact O-N 2.93Å; E237-V240 VanDerWaalsContact O-N 3.09Å; L238-V240 VanDerWaalsContact C-N 3.28Å; L238-V240 PolarHBondContact O-N 3.45Å
241L90.1Very high90.8Very high1 Ų139.4 Ų39.41%0.00523%0.234CC..Hα-helixtrans-82.7-42.1-178.1-63.7175.3000114.3M145 Y197 E237 L238 L278 F285M145-L241 PolarHBondContact N-O 3.44Å; Y197-L241 HydrophobicContact CD1-CD2 4.15Å; Y197-L241 HydrophobicContact CD2-CD2 4.44Å; Y197-L241 HydrophobicContact CE1-CD2 4.42Å; Y197-L241 HydrophobicContact CG-CD2 4.17Å; E237-L241 WeakPolarHBondContact O-CG 3.36Å; E237-L241 PolarHBondContact O-N 2.85Å; L238-L241 PolarHBondContact O-N 3.46Å; L241-L278 HydrophobicContact CD1-CD2 3.71Å; L241-F285 HydrophobicContact CD1-CD2 3.96Å
242Y87.1Confident90.7Very high11 Ų1137.3 Ų37.34%0.04322%0.221CC..Hα-helixtrans-108.9-0.5-176.3-51-68000114.1G143 F146 L238 A244 H245 L248 V249 V252 F277G143-Y242 CarbonylContact O-C 3.56Å; F146-Y242 AromaticContact CE2-CD1 3.92Å; F146-Y242 HydrophobicContact CE2-CD1 3.92Å; F146-Y242 AromaticContact CE2-CE1 3.96Å; F146-Y242 HydrophobicContact CE2-CE1 3.96Å; F146-Y242 HydrophobicContact CZ-CD1 4.38Å; F146-Y242 AromaticContact CZ-CE1 3.95Å; F146-Y242 HydrophobicContact CZ-CE1 3.95Å; L238-Y242 HydrophobicContact CB-CD2 4.26Å; L238-Y242 HydrophobicContact CB-CE2 4.5Å; L238-Y242 HydrophobicContact CD2-CD2 4.34Å; L238-Y242 HydrophobicContact CD2-CE2 3.74Å; L238-Y242 WeakPolarHBondContact O-CB 3.48Å; L238-Y242 VanDerWaalsContact O-CD2 3.3Å; L238-Y242 WeakPolarHBondContact O-CD2 3.35Å; L238-Y242 PolarHBondContact O-N 3.26Å; Y242-A244 PolarHBondContact O-N 2.96Å; Y242-H245 PolarHBondContact O-CD2 3.37Å; Y242-L248 HydrophobicContact CD1-CD2 3.51Å; Y242-L248 HydrophobicContact CD1-CG 4.2Å; Y242-L248 HydrophobicContact CD2-CD2 4.49Å; Y242-L248 HydrophobicContact CD2-CG 4.38Å; Y242-L248 HydrophobicContact CE1-CD2 3.94Å; Y242-L248 HydrophobicContact CE1-CG 4.43Å; Y242-L248 HydrophobicContact CG-CD2 3.82Å; Y242-L248 HydrophobicContact CG-CG 4.17Å; Y242-V249 HydrophobicContact CD2-CG2 4.37Å; Y242-V252 HydrophobicContact CE2-CB 4.2Å; Y242-V252 HydrophobicContact CE2-CG1 4.22Å; Y242-V252 HydrophobicContact CE2-CG2 4.07Å; Y242-F277 PolarHBondContact OH-O 2.86Å
243G86.5Confident90.8Very high12 Ų1235.6 Ų35.612%0.12421%0.208CC..THydrogen-bonded Turntrans64-133.2178.500000113.7G143 M239 H245G143-G243 PolarHBondContact O-N 2.67Å; G143-G243 VanDerWaalsContact O-N 3.16Å; M239-G243 WeakPolarHBondContact O-CA 3.43Å; M239-G243 PolarHBondContact O-N 3.05Å; G243-H245 VanDerWaalsContact C-N 3.25Å; G243-H245 PolarHBondContact O-N 3.31Å
244A83.1Confident90.6Very high78 Ų7841.4 Ų41.465%0.64523%0.234SC*.THydrogen-bonded Turntrans-781.2-173.500000114.8Y242 G246Y242-A244 PolarHBondContact O-N 2.96Å; A244-G246 PolarHBondContact O-N 3.18Å
245H83.7Confident90.5Very high77 Ų7743 Ų4336%0.35624%0.242SC..  trans-74.268.9-178.5-61.1-49.6000112.8V144 Y242 G243 S247 L248 V249V144-H245 WeakPolarHBondContact CG2-NE2 2.99Å; Y242-H245 PolarHBondContact O-CD2 3.37Å; G243-H245 VanDerWaalsContact C-N 3.25Å; G243-H245 PolarHBondContact O-N 3.31Å; H245-S247 PolarHBondContact O-N 2.86Å; H245-S247 VanDerWaalsContact O-N 3.12Å; H245-L248 HydrophobicContact CB-CB 4.12Å; H245-L248 PolarHBondContact O-N 2.7Å; H245-V249 WeakPolarHBondContact O-CG2 3.41Å; H245-V249 PolarHBondContact O-N 3.4Å
246G85.4Confident90.5Very high37 Ų3738.1 Ų38.138%0.38122%0.221SC..Hα-helixtrans-56.7-28.9-17400000115.4A244 N250A244-G246 PolarHBondContact O-N 3.18Å; G246-N250 WeakPolarHBondContact O-CB 3.33Å; G246-N250 PolarHBondContact O-N 3.06Å; G246-N250 PolarHBondContact O-ND2 2.92Å
247S89.6Confident90.4Very high87 Ų8739.4 Ų39.461%0.60823%0.228SC*.Hα-helixtrans-66.3-51.2172.9470000111.9H245 V249 N250 I251H245-S247 PolarHBondContact O-N 2.86Å; H245-S247 VanDerWaalsContact O-N 3.12Å; S247-V249 VanDerWaalsContact C-N 3.35Å; S247-V249 PolarHBondContact O-N 2.87Å; S247-N250 PolarHBondContact O-N 3.46Å; S247-I251 VanDerWaalsContact O-CG1 3.32Å; S247-I251 WeakPolarHBondContact O-CG1 3.47Å; S247-I251 PolarHBondContact O-N 3.41Å
248L88.5Confident90.3Very high65 Ų6541.1 Ų41.134%0.3424%0.24SC..Hα-helixtrans-61.8-42.9177.1-179.159.7000111.2Y242 H245 N250 I251 V252Y242-L248 HydrophobicContact CD1-CD2 3.51Å; Y242-L248 HydrophobicContact CD1-CG 4.2Å; Y242-L248 HydrophobicContact CD2-CD2 4.49Å; Y242-L248 HydrophobicContact CD2-CG 4.38Å; Y242-L248 HydrophobicContact CE1-CD2 3.94Å; Y242-L248 HydrophobicContact CE1-CG 4.43Å; Y242-L248 HydrophobicContact CG-CD2 3.82Å; Y242-L248 HydrophobicContact CG-CG 4.17Å; H245-L248 HydrophobicContact CB-CB 4.12Å; H245-L248 PolarHBondContact O-N 2.7Å; L248-N250 PolarHBondContact O-N 2.85Å; L248-I251 PolarHBondContact O-N 3.1Å; L248-V252 HydrophobicContact CD1-CG2 3.93Å; L248-V252 HydrophobicContact CG-CG2 4.45Å; L248-V252 WeakPolarHBondContact O-CG2 3.39Å; L248-V252 PolarHBondContact O-N 3.01Å
249V91.3Very high90.1Very high2 Ų243.6 Ų43.61%0.01225%0.25CC..Hα-helixtrans-54.7-49172.7167.90000111.2K235 L238 M239 Y242 H245 S247 Q253K235-V249 HydrophobicContact CG-CG1 4.26Å; L238-V249 HydrophobicContact CB-CB 4.34Å; L238-V249 HydrophobicContact CB-CG1 3.88Å; L238-V249 HydrophobicContact CB-CG2 4.11Å; M239-V249 HydrophobicContact CG-CG1 4.38Å; M239-V249 HydrophobicContact CG-CG2 4.19Å; Y242-V249 HydrophobicContact CD2-CG2 4.37Å; H245-V249 WeakPolarHBondContact O-CG2 3.41Å; H245-V249 PolarHBondContact O-N 3.4Å; S247-V249 VanDerWaalsContact C-N 3.35Å; S247-V249 PolarHBondContact O-N 2.87Å; V249-Q253 WeakPolarHBondContact O-CB 3.14Å; V249-Q253 PolarHBondContact O-N 3.34Å
250N91Very high90.1Very high93 Ų9341.6 Ų41.650%0.49724%0.24SC..Hα-helixtrans-65.2-39.2179.5-70.3-20.6000112.7G246 S247 L248 H254G246-N250 WeakPolarHBondContact O-CB 3.33Å; G246-N250 PolarHBondContact O-N 3.06Å; G246-N250 PolarHBondContact O-ND2 2.92Å; S247-N250 PolarHBondContact O-N 3.46Å; L248-N250 PolarHBondContact O-N 2.85Å; N250-H254 PolarHBondContact O-N 3.06Å
251I92.8Very high89.9Confident99 Ų9942.8 Ų42.851%0.50825%0.249SC..Hα-helixtrans-64.2-53.9178.3-69162.5000110.3S247 L248 Q253 H254 I255S247-I251 VanDerWaalsContact O-CG1 3.32Å; S247-I251 WeakPolarHBondContact O-CG1 3.47Å; S247-I251 PolarHBondContact O-N 3.41Å; L248-I251 PolarHBondContact O-N 3.1Å; I251-Q253 VanDerWaalsContact C-N 3.31Å; I251-Q253 PolarHBondContact O-N 3.43Å; I251-H254 PolarHBondContact O-N 3.22Å; I251-H254 VanDerWaalsContact O-N 3.1Å; I251-I255 HydrophobicContact CG2-CD1 3.92Å; I251-I255 WeakPolarHBondContact O-CG1 3.44Å; I251-I255 PolarHBondContact O-N 3.41Å
252V93Very high89.8Confident0 Ų050.3 Ų50.30%028%0.278CS..Hα-helixtrans-66.4-35-178.9-179.10000111.1L238 Y242 L248 H254 I255 I256 F277 L278L238-V252 HydrophobicContact CD2-CB 4.2Å; L238-V252 HydrophobicContact CD2-CG1 3.66Å; Y242-V252 HydrophobicContact CE2-CB 4.2Å; Y242-V252 HydrophobicContact CE2-CG1 4.22Å; Y242-V252 HydrophobicContact CE2-CG2 4.07Å; L248-V252 HydrophobicContact CD1-CG2 3.93Å; L248-V252 HydrophobicContact CG-CG2 4.45Å; L248-V252 WeakPolarHBondContact O-CG2 3.39Å; L248-V252 PolarHBondContact O-N 3.01Å; V252-H254 VanDerWaalsContact C-N 3.35Å; V252-H254 PolarHBondContact O-N 3.05Å; V252-I255 PolarHBondContact O-N 3.02Å; V252-I256 HydrophobicContact CG1-CD1 3.83Å; V252-I256 HydrophobicContact CG1-CG1 4.35Å; V252-I256 WeakPolarHBondContact O-CG1 3.16Å; V252-I256 PolarHBondContact O-N 3.07Å; V252-F277 HydrophobicContact CG1-CB 4.18Å; V252-F277 HydrophobicContact CG2-CB 4.33Å; V252-F277 HydrophobicContact CG2-CD1 4.36Å; V252-L278 HydrophobicContact CG1-CD2 4.45Å
253Q94.4Very high90Very high31 Ų3153.4 Ų53.415%0.14529%0.29CS..Hα-helixtrans-59.4-44171.3-169.1-163.1-78.500111.5L234 L238 V249 I251 M257L234-Q253 HydrophobicContact CB-CG 4.1Å; L234-Q253 HydrophobicContact CD1-CG 4.37Å; L238-Q253 HydrophobicContact CD1-CB 3.63Å; L238-Q253 HydrophobicContact CD1-CG 4.24Å; V249-Q253 WeakPolarHBondContact O-CB 3.14Å; V249-Q253 PolarHBondContact O-N 3.34Å; I251-Q253 VanDerWaalsContact C-N 3.31Å; I251-Q253 PolarHBondContact O-N 3.43Å; Q253-M257 HydrophobicContact CG-CG 4.38Å; Q253-M257 VanDerWaalsContact O-CB 3.27Å; Q253-M257 WeakPolarHBondContact O-CB 3.45Å; Q253-M257 WeakPolarHBondContact O-CG 3.44Å; Q253-M257 PolarHBondContact O-N 2.86Å
254H92.1Very high90.1Very high121 Ų12155.9 Ų55.956%0.5630%0.3SS*.Hα-helixtrans-65.7-40.7177.9-175.878.5000112N250 I251 V252 M257 S258N250-H254 PolarHBondContact O-N 3.06Å; I251-H254 PolarHBondContact O-N 3.22Å; I251-H254 VanDerWaalsContact O-N 3.1Å; V252-H254 VanDerWaalsContact C-N 3.35Å; V252-H254 PolarHBondContact O-N 3.05Å; H254-M257 PolarHBondContact O-N 2.98Å; H254-S258 WeakPolarHBondContact O-CB 3.27Å; H254-S258 PolarHBondContact O-N 2.96Å
255I92.7Very high90.2Very high33 Ų3352.2 Ų52.217%0.16927%0.27CS..Hα-helixtrans-60.7-52.6176.3-66.6167000110.4I251 V252 M257 S258 R259 L274 F277I251-I255 HydrophobicContact CG2-CD1 3.92Å; I251-I255 WeakPolarHBondContact O-CG1 3.44Å; I251-I255 PolarHBondContact O-N 3.41Å; V252-I255 PolarHBondContact O-N 3.02Å; I255-M257 VanDerWaalsContact C-N 3.34Å; I255-M257 PolarHBondContact O-N 2.97Å; I255-S258 WeakPolarHBondContact O-CB 3.29Å; I255-S258 PolarHBondContact O-N 2.71Å; I255-R259 HydrophobicContact CG2-CG 4.37Å; I255-R259 WeakPolarHBondContact O-CG 3.46Å; I255-R259 PolarHBondContact O-N 3.04Å; I255-L274 HydrophobicContact CG2-CD2 4.38Å; I255-F277 HydrophobicContact CD1-CD1 4.2Å; I255-F277 HydrophobicContact CD1-CE1 3.65Å; I255-F277 HydrophobicContact CD1-CE2 4.39Å; I255-F277 HydrophobicContact CD1-CZ 3.77Å; I255-F277 HydrophobicContact CG2-CD2 4.39Å; I255-F277 HydrophobicContact CG2-CE2 4Å; I255-F277 HydrophobicContact CG2-CZ 4.36Å
256I93.4Very high90.2Very high0 Ų054.5 Ų54.50%028%0.281CS..Hα-helixtrans-56.8-48.4177.3-66.8162.5000110.6L234 L238 V252 S258 R259 I260 L274 F285 F289L234-I256 HydrophobicContact CD1-CG2 4.23Å; L234-I256 HydrophobicContact CD2-CD1 4.32Å; L234-I256 HydrophobicContact CD2-CG2 3.88Å; L238-I256 HydrophobicContact CD1-CD1 4.36Å; L238-I256 HydrophobicContact CD2-CD1 3.99Å; V252-I256 HydrophobicContact CG1-CD1 3.83Å; V252-I256 HydrophobicContact CG1-CG1 4.35Å; V252-I256 WeakPolarHBondContact O-CG1 3.16Å; V252-I256 PolarHBondContact O-N 3.07Å; I256-S258 PolarHBondContact O-N 3.08Å; I256-R259 PolarHBondContact O-N 3.45Å; I256-R259 VanDerWaalsContact O-N 3.07Å; I256-I260 HydrophobicContact CG2-CG2 4.2Å; I256-I260 WeakPolarHBondContact O-CG1 3.33Å; I256-I260 WeakPolarHBondContact O-CG2 3.15Å; I256-I260 PolarHBondContact O-N 3.18Å; I256-L274 HydrophobicContact CG1-CD1 4.21Å; I256-L274 HydrophobicContact CG1-CD2 3.61Å; I256-F285 HydrophobicContact CD1-CE1 3.84Å; I256-F285 HydrophobicContact CD1-CZ 3.72Å; I256-F289 HydrophobicContact CG2-CE1 4.12Å; I256-F289 HydrophobicContact CG2-CZ 4.27Å
257M91.6Very high90.3Very high38 Ų3856.4 Ų56.419%0.18728%0.282CS..Hα-helixtrans-63-23.8179.3-68.9-81.8-6800113.6L227 L230 V231 L234 Q253 H254 I255 I260L227-M257 HydrophobicContact CB-CE 3.69Å; L227-M257 HydrophobicContact CB-SD 4.44Å; L230-M257 HydrophobicContact CB-SD 4.46Å; V231-M257 HydrophobicContact CG2-CE 3.45Å; V231-M257 VanDerWaalsContact CG2-CE 3.45Å; V231-M257 HydrophobicContact CG2-SD 3.98Å; L234-M257 HydrophobicContact CD1-CG 3.8Å; L234-M257 HydrophobicContact CD1-SD 3.58Å; L234-M257 VanDerWaalsContact CD1-SD 3.58Å; Q253-M257 HydrophobicContact CG-CG 4.38Å; Q253-M257 VanDerWaalsContact O-CB 3.27Å; Q253-M257 WeakPolarHBondContact O-CB 3.45Å; Q253-M257 WeakPolarHBondContact O-CG 3.44Å; Q253-M257 PolarHBondContact O-N 2.86Å; H254-M257 PolarHBondContact O-N 2.98Å; I255-M257 VanDerWaalsContact C-N 3.34Å; I255-M257 PolarHBondContact O-N 2.97Å; M257-I260 HydrophobicContact SD-CD1 4.02Å
258S91.2Very high90.3Very high36 Ų3654.8 Ų54.825%0.25228%0.279SS..Hα-helixtrans-80.9-39.3171.8-168.50000112.3H254 I255 I256 A261H254-S258 WeakPolarHBondContact O-CB 3.27Å; H254-S258 PolarHBondContact O-N 2.96Å; I255-S258 WeakPolarHBondContact O-CB 3.29Å; I255-S258 PolarHBondContact O-N 2.71Å; I256-S258 PolarHBondContact O-N 3.08Å; S258-A261 PolarHBondContact O-N 2.82Å
259R90.6Very high90.3Very high52 Ų5254 Ų5420%0.19628%0.283CS..Hα-helixtrans-70.4-41.3-178.7-67.8-61.6-172.7-100.916.4113.1I255 I256 A261 R262 Y263 I270 E273 L274I255-R259 HydrophobicContact CG2-CG 4.37Å; I255-R259 WeakPolarHBondContact O-CG 3.46Å; I255-R259 PolarHBondContact O-N 3.04Å; I256-R259 PolarHBondContact O-N 3.45Å; I256-R259 VanDerWaalsContact O-N 3.07Å; R259-A261 PolarHBondContact O-N 3.22Å; R259-A261 VanDerWaalsContact O-N 3.12Å; R259-R262 WeakPolarHBondContact O-CA 3.34Å; R259-R262 PolarHBondContact O-N 2.83Å; R259-Y263 PolarHBondContact O-N 3.49Å; R259-I270 HydrophobicContact CB-CD1 4.39Å; R259-I270 HydrophobicContact CB-CG1 4.22Å; R259-E273 IonicContact CZ-OE1 2.69Å; R259-E273 IonicContact CZ-OE2 2.77Å; R259-E273 IonicContact NE-OE1 3.11Å; R259-E273 PolarHBondContact NE-OE1 2.94Å; R259-E273 IonicContact NE-OE2 3.08Å; R259-E273 PolarHBondContact NE-OE2 3.07Å; R259-E273 IonicContact NH2-OE1 2.62Å; R259-E273 PolarHBondContact NH2-OE1 3.14Å; R259-E273 IonicContact NH2-OE2 2.7Å; R259-E273 PolarHBondContact NH2-OE2 2.9Å; R259-L274 HydrophobicContact CG-CD2 4.4Å
260I90.7Very high90.3Very high0 Ų054 Ų540%028%0.282CS..THydrogen-bonded Turntrans-67.9-8.1177.466-171.4000114.5A217 L227 L230 I256 M257 M265 I270 F289A217-I260 WeakPolarHBondContact CA-O 3.28Å; L227-I260 HydrophobicContact CD2-CD1 3.7Å; L227-I260 HydrophobicContact CD2-CG1 4.01Å; L230-I260 HydrophobicContact CD1-CD1 3.8Å; I256-I260 HydrophobicContact CG2-CG2 4.2Å; I256-I260 WeakPolarHBondContact O-CG1 3.33Å; I256-I260 WeakPolarHBondContact O-CG2 3.15Å; I256-I260 PolarHBondContact O-N 3.18Å; M257-I260 HydrophobicContact SD-CD1 4.02Å; I260-M265 HydrophobicContact CB-CG 4.21Å; I260-M265 HydrophobicContact CB-SD 4.04Å; I260-M265 HydrophobicContact CG2-CG 3.84Å; I260-M265 HydrophobicContact CG2-SD 3.62Å; I260-I270 HydrophobicContact CG2-CD1 3.79Å; I260-F289 HydrophobicContact CD1-CZ 4.11Å; I260-F289 HydrophobicContact CG2-CE1 3.78Å; I260-F289 HydrophobicContact CG2-CZ 4.22Å
261A89.5Confident90.3Very high25 Ų2551.8 Ų51.821%0.20727%0.269CS..THydrogen-bonded Turntrans-985.3170.700000112.4R221 S258 R259R221-A261 VanDerWaalsContact CD-O 3.23Å; R221-A261 WeakPolarHBondContact CD-O 3.5Å; R221-A261 HydrophobicContact CG-CB 4.46Å; R221-A261 WeakPolarHBondContact CG-O 3.39Å; S258-A261 PolarHBondContact O-N 2.82Å; R259-A261 PolarHBondContact O-N 3.22Å; R259-A261 VanDerWaalsContact O-N 3.12Å
262R88.1Confident90.2Very high159 Ų15951.6 Ų51.660%0.627%0.266SS*.THydrogen-bonded Turntrans-125.2-44.1-178.3-65.1179.2-179.2-161.1-2.4112.9R259R259-R262 WeakPolarHBondContact O-CA 3.34Å; R259-R262 PolarHBondContact O-N 2.83Å
263Y90.2Very high90.2Very high77 Ų7754.1 Ų54.130%0.30228%0.278SS..SBendtrans-113.5141.1-179.8-55.8-77.2000110.1A217 R259 A269 E273A217-Y263 WeakPolarHBondContact CB-O 3.48Å; R259-Y263 PolarHBondContact O-N 3.49Å; Y263-A269 HydrophobicContact CD1-CB 3.86Å; Y263-A269 HydrophobicContact CE1-CB 4.13Å; Y263-E273 HydrophobicContact CE2-CG 4.08Å; Y263-E273 PolarHBondContact OH-OE1 3.03Å
264D88.7Confident90Very high63 Ų6352.6 Ų52.634%0.33727%0.271SS..  trans-68.8143.3174.3-80.59.9000108.7S216 A217 E266 D267S216-D264 WeakPolarHBondContact CA-OD1 3.45Å; S216-D264 WeakPolarHBondContact CB-OD2 3.23Å; A217-D264 WeakPolarHBondContact CB-OD1 3.24Å; A217-D264 PolarHBondContact N-OD1 3.44Å; D264-E266 PolarHBondContact O-N 3.49Å; D264-D267 PolarHBondContact N-OD2 3.09Å; D264-D267 WeakPolarHBondContact O-CB 3.23Å; D264-D267 PolarHBondContact O-N 2.88Å
265M85Confident90Very high2 Ų253 Ų531%0.0127%0.267CS..THydrogen-bonded Turntrans-72.40.6-170-63.6-171.7-58.800114.1T215 Y220 I260 I270 F289 I290 A293T215-M265 HydrophobicContact CG2-CE 3.61Å; Y220-M265 HydrophobicContact CE2-CE 3.64Å; Y220-M265 HydrophobicContact CE2-SD 4.22Å; I260-M265 HydrophobicContact CB-CG 4.21Å; I260-M265 HydrophobicContact CB-SD 4.04Å; I260-M265 HydrophobicContact CG2-CG 3.84Å; I260-M265 HydrophobicContact CG2-SD 3.62Å; M265-I270 HydrophobicContact CG-CD1 4.24Å; M265-F289 HydrophobicContact SD-CD1 4.06Å; M265-F289 HydrophobicContact SD-CE1 3.45Å; M265-F289 WeakPolarHBondContact SD-CE1 3.29Å; M265-F289 HydrophobicContact SD-CZ 3.94Å; M265-I290 HydrophobicContact CB-CG1 4.18Å; M265-I290 WeakPolarHBondContact O-CD1 3.34Å; M265-I290 WeakPolarHBondContact O-CG1 3.41Å; M265-A293 HydrophobicContact CE-CB 3.44Å; M265-A293 VanDerWaalsContact CE-CB 3.44Å
266E85.1Confident89.9Confident125 Ų12555.9 Ų55.958%0.58429%0.288SS*.THydrogen-bonded Turntrans-107.8-3.2175.6-49.3-164.299.800111.8D264 K294D264-E266 PolarHBondContact O-N 3.49Å; E266-K294 IonicContact OE1-NZ 3.95Å; E266-K294 PolarHBondContact OE1-NZ 2.78Å; E266-K294 WeakPolarHBondContact OE2-CE 3.45Å; E266-K294 IonicContact OE2-NZ 2.75Å; E266-K294 PolarHBondContact OE2-NZ 3.29Å
267D87.7Confident89.7Confident76 Ų7659.2 Ų59.241%0.40630%0.302SS..SBendtrans-76132.8175.6-65.5-29.4000111.4D264 A269 I270D264-D267 PolarHBondContact N-OD2 3.09Å; D264-D267 WeakPolarHBondContact O-CB 3.23Å; D264-D267 PolarHBondContact O-N 2.88Å; D267-A269 HydrophobicContact CB-CB 4.28Å; D267-A269 PolarHBondContact O-N 2.85Å; D267-I270 WeakPolarHBondContact O-CG2 3.18Å; D267-I270 PolarHBondContact O-N 3.49Å
268G88.1Confident89.6Confident54 Ų5457.4 Ų57.456%0.55729%0.294SS*.Hα-helixtrans-57.1-22.4169.900000113.9I270 Q271 E272G268-I270 VanDerWaalsContact C-N 3.32Å; G268-I270 PolarHBondContact O-N 2.85Å; G268-Q271 WeakPolarHBondContact O-CB 3.34Å; G268-Q271 PolarHBondContact O-N 3.44Å; G268-E272 PolarHBondContact O-N 3.39Å
269A89.4Confident89.4Confident49 Ų4960.7 Ų60.741%0.40531%0.305SS..Hα-helixtrans-60.7-36.4174.200000113.1Y263 D267 Q271 E273Y263-A269 HydrophobicContact CD1-CB 3.86Å; Y263-A269 HydrophobicContact CE1-CB 4.13Å; D267-A269 HydrophobicContact CB-CB 4.28Å; D267-A269 PolarHBondContact O-N 2.85Å; A269-Q271 VanDerWaalsContact C-N 3.29Å; A269-Q271 PolarHBondContact O-N 2.77Å; A269-E273 WeakPolarHBondContact O-CB 3.38Å; A269-E273 PolarHBondContact O-N 2.7Å
270I91Very high89.2Confident1 Ų162.3 Ų62.31%0.00534%0.337CS..Hα-helixtrans-73.5-25.4178.3-147.8176.2000112R259 I260 M265 D267 G268 L274 L286R259-I270 HydrophobicContact CB-CD1 4.39Å; R259-I270 HydrophobicContact CB-CG1 4.22Å; I260-I270 HydrophobicContact CG2-CD1 3.79Å; M265-I270 HydrophobicContact CG-CD1 4.24Å; D267-I270 WeakPolarHBondContact O-CG2 3.18Å; D267-I270 PolarHBondContact O-N 3.49Å; G268-I270 VanDerWaalsContact C-N 3.32Å; G268-I270 PolarHBondContact O-N 2.85Å; I270-L274 HydrophobicContact CG1-CD1 4.28Å; I270-L274 WeakPolarHBondContact O-CB 3.29Å; I270-L274 VanDerWaalsContact O-CG 3.25Å; I270-L274 WeakPolarHBondContact O-CG 3.3Å; I270-L274 PolarHBondContact O-N 2.69Å; I270-L286 HydrophobicContact CG2-CD1 4.05Å; I270-L286 HydrophobicContact CG2-CD2 4.19Å
271Q91.6Very high88.9Confident46 Ų4664.5 Ų64.522%0.21535%0.346CS..Hα-helixtrans-68.2-51.9176172.3161.8-4600110.8G268 A269 E273 L274 R275 T282 E283 L286G268-Q271 WeakPolarHBondContact O-CB 3.34Å; G268-Q271 PolarHBondContact O-N 3.44Å; A269-Q271 VanDerWaalsContact C-N 3.29Å; A269-Q271 PolarHBondContact O-N 2.77Å; Q271-E273 PolarHBondContact O-N 3.16Å; Q271-L274 PolarHBondContact O-N 2.62Å; Q271-L274 VanDerWaalsContact O-N 3.13Å; Q271-R275 WeakPolarHBondContact O-CB 3.42Å; Q271-R275 PolarHBondContact O-N 2.92Å; Q271-T282 HydrophobicContact CG-CG2 4.18Å; Q271-E283 PolarHBondContact NE2-OE1 3.36Å; Q271-L286 HydrophobicContact CB-CD1 3.86Å; Q271-L286 HydrophobicContact CG-CD1 4.45Å
272E91Very high89Confident95 Ų9563.5 Ų63.544%0.44434%0.337SS..Hα-helixtrans-67-34.8-179.8-57.8-48.6130.100112.7G268 L274 R275 P276G268-E272 PolarHBondContact O-N 3.39Å; E272-L274 VanDerWaalsContact C-N 3.26Å; E272-L274 PolarHBondContact O-N 3.49Å; E272-R275 PolarHBondContact O-N 2.7Å; E272-R275 IonicContact OE1-CZ 2.74Å; E272-R275 IonicContact OE1-NH1 2.86Å; E272-R275 PolarHBondContact OE1-NH1 2.75Å; E272-R275 WeakPolarHBondContact OE2-CD 3.39Å; E272-R275 IonicContact OE2-CZ 2.69Å; E272-R275 IonicContact OE2-NE 2.67Å; E272-R275 IonicContact OE2-NH1 2.66Å; E272-R275 PolarHBondContact OE2-NH1 3.39Å; E272-P276 VanDerWaalsContact O-CD 3.26Å; E272-P276 WeakPolarHBondContact O-CD 3.49Å
273E91.2Very high89.2Confident53 Ų5360.5 Ų60.525%0.24833%0.33CS..Hα-helixtrans-64.5-24.7172.5-86.5-89.9-136.900114.1R259 Y263 A269 Q271R259-E273 IonicContact CZ-OE1 2.69Å; R259-E273 IonicContact CZ-OE2 2.77Å; R259-E273 IonicContact NE-OE1 3.11Å; R259-E273 PolarHBondContact NE-OE1 2.94Å; R259-E273 IonicContact NE-OE2 3.08Å; R259-E273 PolarHBondContact NE-OE2 3.07Å; R259-E273 IonicContact NH2-OE1 2.62Å; R259-E273 PolarHBondContact NH2-OE1 3.14Å; R259-E273 IonicContact NH2-OE2 2.7Å; R259-E273 PolarHBondContact NH2-OE2 2.9Å; Y263-E273 HydrophobicContact CE2-CG 4.08Å; Y263-E273 PolarHBondContact OH-OE1 3.03Å; A269-E273 WeakPolarHBondContact O-CB 3.38Å; A269-E273 PolarHBondContact O-N 2.7Å; Q271-E273 PolarHBondContact O-N 3.16Å
274L91.6Very high89.3Confident0 Ų057.4 Ų57.40%032%0.318CS..Hα-helixtrans-100.4-15.7178.4-66.2178.9000113.7I255 I256 R259 I270 Q271 E272 P276 F277 L278 T282 L286I255-L274 HydrophobicContact CG2-CD2 4.38Å; I256-L274 HydrophobicContact CG1-CD1 4.21Å; I256-L274 HydrophobicContact CG1-CD2 3.61Å; R259-L274 HydrophobicContact CG-CD2 4.4Å; I270-L274 HydrophobicContact CG1-CD1 4.28Å; I270-L274 WeakPolarHBondContact O-CB 3.29Å; I270-L274 VanDerWaalsContact O-CG 3.25Å; I270-L274 WeakPolarHBondContact O-CG 3.3Å; I270-L274 PolarHBondContact O-N 2.69Å; Q271-L274 PolarHBondContact O-N 2.62Å; Q271-L274 VanDerWaalsContact O-N 3.13Å; E272-L274 VanDerWaalsContact C-N 3.26Å; E272-L274 PolarHBondContact O-N 3.49Å; L274-P276 VanDerWaalsContact C-CD 3.5Å; L274-F277 PolarHBondContact O-N 3.35Å; L274-F277 VanDerWaalsContact O-N 3.07Å; L274-L278 HydrophobicContact CB-CD1 4.21Å; L274-L278 PolarHBondContact O-N 3.11Å; L274-T282 HydrophobicContact CB-CG2 3.96Å; L274-L286 HydrophobicContact CD1-CD2 4.08Å
275R92.1Very high89.6Confident130 Ų13054.4 Ų54.449%0.49130%0.302SS..Hα-helixtrans-56.4-39-179.2-159.3172.6-169.3159.43.6114.6Q271 E272 F277 Q279 T282Q271-R275 WeakPolarHBondContact O-CB 3.42Å; Q271-R275 PolarHBondContact O-N 2.92Å; E272-R275 PolarHBondContact O-N 2.7Å; E272-R275 IonicContact OE1-CZ 2.74Å; E272-R275 IonicContact OE1-NH1 2.86Å; E272-R275 PolarHBondContact OE1-NH1 2.75Å; E272-R275 WeakPolarHBondContact OE2-CD 3.39Å; E272-R275 IonicContact OE2-CZ 2.69Å; E272-R275 IonicContact OE2-NE 2.67Å; E272-R275 IonicContact OE2-NH1 2.66Å; E272-R275 PolarHBondContact OE2-NH1 3.39Å; R275-F277 PolarHBondContact O-N 3.06Å; R275-Q279 WeakPolarHBondContact O-CA 3.42Å; R275-Q279 PolarHBondContact O-N 3.19Å; R275-T282 WeakPolarHBondContact CA-OG1 3.25Å
276P90.9Very high90Very high92 Ų9254.8 Ų54.860%0.59730%0.304SS*.Hα-helixtrans-61.1-27.3175.5-26.135.8000114.1E272 L274E272-P276 VanDerWaalsContact O-CD 3.26Å; E272-P276 WeakPolarHBondContact O-CD 3.49Å; L274-P276 VanDerWaalsContact C-CD 3.5Å
277F89.6Confident90.3Very high70 Ų7051.6 Ų51.631%0.30729%0.289SS..Hα-helixtrans-94.3-49.2-177-50.7-77.8000111.4Y242 V252 I255 L274 R275Y242-F277 PolarHBondContact OH-O 2.86Å; V252-F277 HydrophobicContact CG1-CB 4.18Å; V252-F277 HydrophobicContact CG2-CB 4.33Å; V252-F277 HydrophobicContact CG2-CD1 4.36Å; I255-F277 HydrophobicContact CD1-CD1 4.2Å; I255-F277 HydrophobicContact CD1-CE1 3.65Å; I255-F277 HydrophobicContact CD1-CE2 4.39Å; I255-F277 HydrophobicContact CD1-CZ 3.77Å; I255-F277 HydrophobicContact CG2-CD2 4.39Å; I255-F277 HydrophobicContact CG2-CE2 4Å; I255-F277 HydrophobicContact CG2-CZ 4.36Å; L274-F277 PolarHBondContact O-N 3.35Å; L274-F277 VanDerWaalsContact O-N 3.07Å; R275-F277 PolarHBondContact O-N 3.06Å
278L88.4Confident90.6Very high1 Ų148 Ų481%0.00527%0.27CS..Hα-helixtrans-93.4-10.4-173-59.7174000113.7L238 L241 V252 L274 R281 T282 F285L238-L278 HydrophobicContact CD2-CD2 4.14Å; L241-L278 HydrophobicContact CD1-CD2 3.71Å; V252-L278 HydrophobicContact CG1-CD2 4.45Å; L274-L278 HydrophobicContact CB-CD1 4.21Å; L274-L278 PolarHBondContact O-N 3.11Å; L278-R281 PolarHBondContact O-N 2.78Å; L278-T282 HydrophobicContact CB-CG2 4.48Å; L278-T282 WeakPolarHBondContact CB-OG1 3.42Å; L278-T282 HydrophobicContact CD1-CG2 4.46Å; L278-F285 HydrophobicContact CD1-CB 4.16Å; L278-F285 HydrophobicContact CD1-CD1 3.38Å; L278-F285 HydrophobicContact CD1-CD2 4.44Å; L278-F285 HydrophobicContact CD1-CE1 3.8Å; L278-F285 HydrophobicContact CD1-CG 3.74Å; L278-F285 HydrophobicContact CD1-CZ 4.46Å
279Q88Confident90.8Very high105 Ų10545.4 Ų45.449%0.49124%0.243SC..G310 helixtrans51.9-142177.1-56.8-176.2-0.800112.5F146 R275 R281 T282F146-Q279 HydrophobicContact CE1-CB 4.19Å; F146-Q279 VanDerWaalsContact CE1-CD 3.47Å; F146-Q279 HydrophobicContact CE1-CG 4.01Å; R275-Q279 WeakPolarHBondContact O-CA 3.42Å; R275-Q279 PolarHBondContact O-N 3.19Å; Q279-R281 PolarHBondContact O-N 3.23Å; Q279-T282 WeakPolarHBondContact O-CB 3.43Å; Q279-T282 PolarHBondContact O-N 2.83Å; Q279-T282 PolarHBondContact O-OG1 3.1Å
280G84.9Confident91Very high85 Ų8544.4 Ų44.488%0.87623%0.231SC*.G310 helixtrans-61.7-1.2-179.900000115.9
281R85.1Confident91Very high47 Ų4746.3 Ų46.318%0.17724%0.241CC..G310 helixtrans-99.1-1.7174.2-72.6179.6-79.1-116.14.9114.1M145 F146 L278 Q279 E283 H284 F285M145-R281 VanDerWaalsContact C-NH2 3.34Å; M145-R281 PolarHBondContact O-NH1 3.34Å; M145-R281 PolarHBondContact O-NH2 2.68Å; M145-R281 VanDerWaalsContact O-NH2 3.13Å; F146-R281 VanDerWaalsContact CD2-NH2 3.31Å; F146-R281 VanDerWaalsContact CZ-NH2 3.35Å; L278-R281 PolarHBondContact O-N 2.78Å; Q279-R281 PolarHBondContact O-N 3.23Å; R281-E283 VanDerWaalsContact C-N 3.34Å; R281-E283 PolarHBondContact O-N 3.44Å; R281-H284 PolarHBondContact O-N 2.87Å; R281-H284 VanDerWaalsContact O-N 3.16Å; R281-F285 WeakPolarHBondContact O-CB 3.26Å; R281-F285 PolarHBondContact O-N 2.82Å
282T91.9Very high91.1Very high4 Ų444.1 Ų44.13%0.02523%0.231CC..Hα-helixtrans-54.1-46.5-175.4-53.20000112.5Q271 L274 R275 L278 Q279 F285 L286Q271-T282 HydrophobicContact CG-CG2 4.18Å; L274-T282 HydrophobicContact CB-CG2 3.96Å; R275-T282 WeakPolarHBondContact CA-OG1 3.25Å; L278-T282 HydrophobicContact CB-CG2 4.48Å; L278-T282 WeakPolarHBondContact CB-OG1 3.42Å; L278-T282 HydrophobicContact CD1-CG2 4.46Å; Q279-T282 WeakPolarHBondContact O-CB 3.43Å; Q279-T282 PolarHBondContact O-N 2.83Å; Q279-T282 PolarHBondContact O-OG1 3.1Å; T282-F285 PolarHBondContact O-N 3.22Å; T282-L286 HydrophobicContact CG2-CD1 4.04Å; T282-L286 HydrophobicContact CG2-CG 4.48Å; T282-L286 WeakPolarHBondContact O-CB 3.45Å; T282-L286 WeakPolarHBondContact O-CG 3.46Å; T282-L286 PolarHBondContact O-N 3.37Å
283E91.5Very high91.2Very high95 Ų9539.6 Ų39.644%0.44421%0.209SC..Hα-helixtrans-63.8-43.5177.9-60.6-160.816500113.7R202 Q271 R281 F285 L286 H287R202-E283 IonicContact NH2-OE2 3.07Å; R202-E283 PolarHBondContact NH2-OE2 3.44Å; Q271-E283 PolarHBondContact NE2-OE1 3.36Å; R281-E283 VanDerWaalsContact C-N 3.34Å; R281-E283 PolarHBondContact O-N 3.44Å; E283-F285 VanDerWaalsContact C-N 3.32Å; E283-L286 PolarHBondContact O-N 3.07Å; E283-H287 VanDerWaalsContact O-CB 3.29Å; E283-H287 WeakPolarHBondContact O-CB 3.39Å; E283-H287 PolarHBondContact O-N 2.81Å
284H92.3Very high91.1Very high13 Ų1340 Ų406%0.0621%0.211CC..Hα-helixtrans-65.1-43.3179.9-170.7175.9000109.4L196 Y197 V201 R281 H287 E288L196-H284 PolarHBondContact O-CE1 2.77Å; Y197-H284 HydrophobicContact CD1-CB 4.32Å; Y197-H284 AromaticContact CD1-CE1 3.97Å; Y197-H284 AromaticContact CD1-CG 3.83Å; Y197-H284 AromaticContact CD1-ND1 3.58Å; Y197-H284 HydrophobicContact CE1-CB 4.3Å; Y197-H284 AromaticContact CE1-CG 3.95Å; V201-H284 PolarHBondContact O-NE2 2.74Å; R281-H284 PolarHBondContact O-N 2.87Å; R281-H284 VanDerWaalsContact O-N 3.16Å; H284-H287 PolarHBondContact O-N 3Å; H284-E288 WeakPolarHBondContact O-CB 3.41Å; H284-E288 VanDerWaalsContact O-CG 3.22Å; H284-E288 WeakPolarHBondContact O-CG 3.43Å; H284-E288 PolarHBondContact O-N 2.76Å
285F94.3Very high91.1Very high0 Ų040.1 Ų40.10%021%0.211CC..Hα-helixtrans-60-47.5174.1178.9-89.7000112Y197 W233 L234 E237 L238 L241 I256 L278 R281 T282 E283 E288 F289Y197-F285 HydrophobicContact CE1-CB 4.36Å; W233-F285 HydrophobicContact CH2-CE2 4.33Å; W233-F285 AromaticContact CZ3-CE2 3.91Å; W233-F285 HydrophobicContact CZ3-CE2 3.91Å; W233-F285 AromaticContact CZ3-CZ 3.94Å; W233-F285 HydrophobicContact CZ3-CZ 3.94Å; L234-F285 HydrophobicContact CD2-CE1 4.34Å; L234-F285 HydrophobicContact CD2-CZ 3.66Å; E237-F285 HydrophobicContact CB-CD2 4.35Å; E237-F285 HydrophobicContact CB-CE2 3.84Å; L238-F285 HydrophobicContact CD2-CE2 4.33Å; L238-F285 HydrophobicContact CD2-CZ 4.46Å; L241-F285 HydrophobicContact CD1-CD2 3.96Å; I256-F285 HydrophobicContact CD1-CE1 3.84Å; I256-F285 HydrophobicContact CD1-CZ 3.72Å; L278-F285 HydrophobicContact CD1-CB 4.16Å; L278-F285 HydrophobicContact CD1-CD1 3.38Å; L278-F285 HydrophobicContact CD1-CD2 4.44Å; L278-F285 HydrophobicContact CD1-CE1 3.8Å; L278-F285 HydrophobicContact CD1-CG 3.74Å; L278-F285 HydrophobicContact CD1-CZ 4.46Å; R281-F285 WeakPolarHBondContact O-CB 3.26Å; R281-F285 PolarHBondContact O-N 2.82Å; T282-F285 PolarHBondContact O-N 3.22Å; E283-F285 VanDerWaalsContact C-N 3.32Å; F285-E288 PolarHBondContact O-N 3.24Å; F285-F289 HydrophobicContact CE1-CB 4.47Å; F285-F289 HydrophobicContact CE1-CD1 4.48Å; F285-F289 WeakPolarHBondContact O-CB 3.31Å; F285-F289 PolarHBondContact O-N 2.94Å
286L93.5Very high90.9Very high10 Ų1036.1 Ų36.15%0.05220%0.202CC..Hα-helixtrans-64.2-44.7178.5-77.2175.4000112.1I270 Q271 L274 T282 E283 E288 F289 I290I270-L286 HydrophobicContact CG2-CD1 4.05Å; I270-L286 HydrophobicContact CG2-CD2 4.19Å; Q271-L286 HydrophobicContact CB-CD1 3.86Å; Q271-L286 HydrophobicContact CG-CD1 4.45Å; L274-L286 HydrophobicContact CD1-CD2 4.08Å; T282-L286 HydrophobicContact CG2-CD1 4.04Å; T282-L286 HydrophobicContact CG2-CG 4.48Å; T282-L286 WeakPolarHBondContact O-CB 3.45Å; T282-L286 WeakPolarHBondContact O-CG 3.46Å; T282-L286 PolarHBondContact O-N 3.37Å; E283-L286 PolarHBondContact O-N 3.07Å; L286-E288 VanDerWaalsContact C-N 3.34Å; L286-E288 PolarHBondContact O-N 3.27Å; L286-F289 HydrophobicContact CD2-CD1 4.34Å; L286-F289 PolarHBondContact O-N 3.08Å; L286-F289 VanDerWaalsContact O-N 3.12Å; L286-I290 HydrophobicContact CB-CD1 4.41Å; L286-I290 WeakPolarHBondContact O-CB 3.38Å; L286-I290 WeakPolarHBondContact O-CD1 3.5Å; L286-I290 WeakPolarHBondContact O-CG1 3.41Å; L286-I290 PolarHBondContact O-N 2.73Å
287H92.4Very high90.8Very high58 Ų5833.6 Ų33.627%0.26918%0.182SC..Hα-helixtrans-53.8-50.1174.6179.6103.3000111.8V203 E283 H284 F289 N291V203-H287 PolarHBondContact O-NE2 3.08Å; E283-H287 VanDerWaalsContact O-CB 3.29Å; E283-H287 WeakPolarHBondContact O-CB 3.39Å; E283-H287 PolarHBondContact O-N 2.81Å; H284-H287 PolarHBondContact O-N 3Å; H287-F289 VanDerWaalsContact C-N 3.33Å; H287-F289 PolarHBondContact O-N 3.06Å; H287-N291 WeakPolarHBondContact O-CB 3.49Å; H287-N291 PolarHBondContact O-N 3.27Å; H287-N291 PolarHBondContact O-ND2 3.2Å
288E93.3Very high90.8Very high0 Ų034.2 Ų34.20%019%0.188CC..Hα-helixtrans-65.5-37.1178.3-68.7-68118.400112.1R193 V203 W233 H284 F285 L286 F292 Y302R193-E288 IonicContact CZ-OE2 3.6Å; R193-E288 IonicContact NH1-OE2 2.79Å; R193-E288 PolarHBondContact NH1-OE2 2.9Å; R193-E288 IonicContact NH2-OE2 2.86Å; R193-E288 PolarHBondContact NH2-OE2 3.26Å; V203-E288 VanDerWaalsContact CB-OE1 3.3Å; V203-E288 WeakPolarHBondContact CB-OE1 3.43Å; V203-E288 VanDerWaalsContact CG1-OE1 3.25Å; V203-E288 WeakPolarHBondContact CG1-OE1 3.4Å; V203-E288 PolarHBondContact N-OE1 3.17Å; W233-E288 HydrophobicContact CH2-CB 4.05Å; W233-E288 VanDerWaalsContact CZ2-C 3.5Å; W233-E288 HydrophobicContact CZ2-CB 3.79Å; W233-E288 WeakPolarHBondContact CZ2-O 3.18Å; H284-E288 WeakPolarHBondContact O-CB 3.41Å; H284-E288 VanDerWaalsContact O-CG 3.22Å; H284-E288 WeakPolarHBondContact O-CG 3.43Å; H284-E288 PolarHBondContact O-N 2.76Å; F285-E288 PolarHBondContact O-N 3.24Å; L286-E288 VanDerWaalsContact C-N 3.34Å; L286-E288 PolarHBondContact O-N 3.27Å; E288-F292 PolarHBondContact O-N 2.92Å; E288-Y302 PolarHBondContact O-OH 3.4Å
289F93.9Very high90.8Very high0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-73.1-43.8-178-178.2-134.6000112.6L230 W233 L234 I256 I260 M265 F285 L286 H287 N291 F292 A293L230-F289 HydrophobicContact CB-CE2 4.17Å; L230-F289 HydrophobicContact CD1-CE2 4.19Å; L230-F289 HydrophobicContact CD1-CZ 4.03Å; L230-F289 HydrophobicContact CD2-CE2 4.16Å; L230-F289 HydrophobicContact CG-CE2 4.39Å; W233-F289 HydrophobicContact CD2-CD2 4.4Å; W233-F289 AromaticContact CE3-CD2 3.54Å; W233-F289 HydrophobicContact CE3-CD2 3.54Å; W233-F289 HydrophobicContact CE3-CE2 4.22Å; W233-F289 HydrophobicContact CE3-CG 4.4Å; W233-F289 HydrophobicContact CH2-CB 3.46Å; W233-F289 VanDerWaalsContact CH2-CB 3.46Å; W233-F289 HydrophobicContact CH2-CD2 4.07Å; W233-F289 HydrophobicContact CH2-CG 4.18Å; W233-F289 HydrophobicContact CZ2-CB 4.32Å; W233-F289 HydrophobicContact CZ3-CB 3.56Å; W233-F289 AromaticContact CZ3-CD2 3.36Å; W233-F289 HydrophobicContact CZ3-CD2 3.36Å; W233-F289 HydrophobicContact CZ3-CE2 4.33Å; W233-F289 AromaticContact CZ3-CG 3.77Å; W233-F289 HydrophobicContact CZ3-CG 3.77Å; L234-F289 HydrophobicContact CD1-CE2 4.31Å; L234-F289 HydrophobicContact CD1-CZ 4.34Å; L234-F289 HydrophobicContact CD2-CD2 4.01Å; L234-F289 HydrophobicContact CD2-CE2 3.62Å; L234-F289 HydrophobicContact CD2-CZ 3.9Å; L234-F289 HydrophobicContact CG-CE2 3.93Å; L234-F289 HydrophobicContact CG-CZ 4.37Å; I256-F289 HydrophobicContact CG2-CE1 4.12Å; I256-F289 HydrophobicContact CG2-CZ 4.27Å; I260-F289 HydrophobicContact CD1-CZ 4.11Å; I260-F289 HydrophobicContact CG2-CE1 3.78Å; I260-F289 HydrophobicContact CG2-CZ 4.22Å; M265-F289 HydrophobicContact SD-CD1 4.06Å; M265-F289 HydrophobicContact SD-CE1 3.45Å; M265-F289 WeakPolarHBondContact SD-CE1 3.29Å; M265-F289 HydrophobicContact SD-CZ 3.94Å; F285-F289 HydrophobicContact CE1-CB 4.47Å; F285-F289 HydrophobicContact CE1-CD1 4.48Å; F285-F289 WeakPolarHBondContact O-CB 3.31Å; F285-F289 PolarHBondContact O-N 2.94Å; L286-F289 HydrophobicContact CD2-CD1 4.34Å; L286-F289 PolarHBondContact O-N 3.08Å; L286-F289 VanDerWaalsContact O-N 3.12Å; H287-F289 VanDerWaalsContact C-N 3.33Å; H287-F289 PolarHBondContact O-N 3.06Å; F289-N291 VanDerWaalsContact C-N 3.32Å; F289-N291 PolarHBondContact O-N 3.33Å; F289-F292 PolarHBondContact O-N 3.12Å; F289-A293 VanDerWaalsContact O-CB 3.23Å; F289-A293 WeakPolarHBondContact O-CB 3.45Å; F289-A293 PolarHBondContact O-N 3.08Å
290I92.1Very high90.8Very high27 Ų2735.9 Ų35.914%0.13820%0.197CC..Hα-helixtrans-61-43.8174.2-63.1157000109.4M265 L286 F292 A293 K294M265-I290 HydrophobicContact CB-CG1 4.18Å; M265-I290 WeakPolarHBondContact O-CD1 3.34Å; M265-I290 WeakPolarHBondContact O-CG1 3.41Å; L286-I290 HydrophobicContact CB-CD1 4.41Å; L286-I290 WeakPolarHBondContact O-CB 3.38Å; L286-I290 WeakPolarHBondContact O-CD1 3.5Å; L286-I290 WeakPolarHBondContact O-CG1 3.41Å; L286-I290 PolarHBondContact O-N 2.73Å; I290-F292 PolarHBondContact O-N 3.03Å; I290-A293 PolarHBondContact O-N 2.84Å; I290-K294 HydrophobicContact CG2-CD 3.95Å; I290-K294 HydrophobicContact CG2-CG 4.26Å; I290-K294 WeakPolarHBondContact O-CB 3.46Å; I290-K294 WeakPolarHBondContact O-CG 3.5Å; I290-K294 PolarHBondContact O-N 3.2Å
291N91.8Very high91Very high41 Ų4132.6 Ų32.622%0.21916%0.162CC..Hα-helixtrans-59.5-44.1174.6-87.5-87.3000112.1V203 V206 H287 F289 S295V203-N291 HydrophobicContact CG1-CB 3.69Å; V203-N291 VanDerWaalsContact CG1-CG 3.46Å; V206-N291 HydrophobicContact CG2-CB 4.49Å; H287-N291 WeakPolarHBondContact O-CB 3.49Å; H287-N291 PolarHBondContact O-N 3.27Å; H287-N291 PolarHBondContact O-ND2 3.2Å; F289-N291 VanDerWaalsContact C-N 3.32Å; F289-N291 PolarHBondContact O-N 3.33Å; N291-S295 WeakPolarHBondContact O-CB 3.02Å; N291-S295 PolarHBondContact O-N 2.88Å; N291-S295 VanDerWaalsContact O-N 3.11Å
292F93.5Very high91.2Very high0 Ų030.4 Ų30.40%015%0.153CC..Hα-helixtrans-64.3-44.4173.4-179.1-104.6000112.5R229 L230 W233 E288 F289 I290 S295 Y302R229-F292 HydrophobicContact CG-CE1 4.41Å; R229-F292 HydrophobicContact CG-CZ 4.24Å; R229-F292 PolarHBondContact NH1-O 2.79Å; R229-F292 PolarHBondContact NH2-O 3.32Å; R229-F292 WeakPolarHBondContact O-CE1 2.93Å; L230-F292 HydrophobicContact CD2-CD1 3.93Å; L230-F292 HydrophobicContact CD2-CE1 3.97Å; W233-F292 HydrophobicContact CB-CD1 3.69Å; W233-F292 HydrophobicContact CB-CE1 3.5Å; W233-F292 HydrophobicContact CB-CE2 4.38Å; W233-F292 HydrophobicContact CB-CG 4.21Å; W233-F292 HydrophobicContact CB-CZ 3.88Å; W233-F292 AromaticContact CD1-CD1 3.69Å; W233-F292 AromaticContact CD1-CD2 3.34Å; W233-F292 AromaticContact CD1-CE2 3.8Å; W233-F292 AromaticContact CD1-CG 3.28Å; W233-F292 HydrophobicContact CD2-CB 4.21Å; W233-F292 HydrophobicContact CD2-CD1 4.09Å; W233-F292 HydrophobicContact CD2-CG 4.13Å; W233-F292 HydrophobicContact CG-CB 4.2Å; W233-F292 AromaticContact CG-CD1 3.54Å; W233-F292 HydrophobicContact CG-CD1 3.54Å; W233-F292 HydrophobicContact CG-CD2 4.05Å; W233-F292 AromaticContact CG-CE1 3.88Å; W233-F292 HydrophobicContact CG-CE1 3.88Å; W233-F292 HydrophobicContact CG-CE2 4.35Å; W233-F292 AromaticContact CG-CG 3.64Å; W233-F292 HydrophobicContact CG-CG 3.64Å; W233-F292 HydrophobicContact CG-CZ 4.27Å; W233-F292 HydrophobicContact CZ2-CB 4.38Å; W233-F292 AromaticContact NE1-CD2 3.82Å; W233-F292 AromaticContact NE1-CG 3.58Å; E288-F292 PolarHBondContact O-N 2.92Å; F289-F292 PolarHBondContact O-N 3.12Å; I290-F292 PolarHBondContact O-N 3.03Å; F292-S295 PolarHBondContact O-N 3.29Å; F292-S295 PolarHBondContact O-OG 2.92Å; F292-Y302 HydrophobicContact CB-CD2 4.37Å; F292-Y302 HydrophobicContact CB-CE2 3.99Å; F292-Y302 AromaticContact CD2-CD1 3.99Å; F292-Y302 HydrophobicContact CD2-CD1 3.99Å; F292-Y302 AromaticContact CD2-CD2 3.64Å; F292-Y302 HydrophobicContact CD2-CD2 3.64Å; F292-Y302 HydrophobicContact CD2-CE1 4.45Å; F292-Y302 HydrophobicContact CD2-CE2 4.11Å; F292-Y302 AromaticContact CD2-CG 3.55Å; F292-Y302 HydrophobicContact CD2-CG 3.55Å; F292-Y302 HydrophobicContact CE2-CD2 4.47Å; F292-Y302 HydrophobicContact CE2-CG 4.14Å; F292-Y302 HydrophobicContact CG-CD2 4.49Å
293A92Very high91.1Very high0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-66.2-38.7-176.500000112.9T215 R229 L230 M265 F289 I290T215-A293 HydrophobicContact CG2-CB 3.69Å; R229-A293 VanDerWaalsContact NH2-C 3.3Å; R229-A293 VanDerWaalsContact NH2-CA 3.3Å; R229-A293 PolarHBondContact NH2-O 3.41Å; L230-A293 HydrophobicContact CD2-CB 4.08Å; M265-A293 HydrophobicContact CE-CB 3.44Å; M265-A293 VanDerWaalsContact CE-CB 3.44Å; F289-A293 VanDerWaalsContact O-CB 3.23Å; F289-A293 WeakPolarHBondContact O-CB 3.45Å; F289-A293 PolarHBondContact O-N 3.08Å; I290-A293 PolarHBondContact O-N 2.84Å
294K90.3Very high90.8Very high63 Ų6328.6 Ų28.627%0.27415%0.145SC..Hα-helixtrans-71.7-31.7172-69.8-173.1172.4-177.30112.6S212 R213 T215 E266 I290S212-K294 CarbonylContact C-O 3.54Å; S212-K294 VanDerWaalsContact CA-O 3.32Å; S212-K294 WeakPolarHBondContact CA-O 3.44Å; R213-K294 PolarHBondContact N-O 3.29Å; T215-K294 HydrophobicContact CG2-CB 4.39Å; T215-K294 HydrophobicContact CG2-CG 3.5Å; T215-K294 VanDerWaalsContact OG1-CE 3.25Å; T215-K294 WeakPolarHBondContact OG1-CE 3.43Å; E266-K294 IonicContact OE1-NZ 3.95Å; E266-K294 PolarHBondContact OE1-NZ 2.78Å; E266-K294 WeakPolarHBondContact OE2-CE 3.45Å; E266-K294 IonicContact OE2-NZ 2.75Å; E266-K294 PolarHBondContact OE2-NZ 3.29Å; I290-K294 HydrophobicContact CG2-CD 3.95Å; I290-K294 HydrophobicContact CG2-CG 4.26Å; I290-K294 WeakPolarHBondContact O-CB 3.46Å; I290-K294 WeakPolarHBondContact O-CG 3.5Å; I290-K294 PolarHBondContact O-N 3.2Å
295S90.7Very high90.5Very high2 Ų230.9 Ų30.91%0.01416%0.156CC..SBendtrans-66.1152.4178.777.70000113.5R229 N291 F292R229-S295 VanDerWaalsContact CZ-O 3.22Å; R229-S295 PolarHBondContact NH1-O 2.93Å; R229-S295 VanDerWaalsContact NH1-O 3.08Å; R229-S295 PolarHBondContact NH2-O 3.06Å; N291-S295 WeakPolarHBondContact O-CB 3.02Å; N291-S295 PolarHBondContact O-N 2.88Å; N291-S295 VanDerWaalsContact O-N 3.11Å; F292-S295 PolarHBondContact O-N 3.29Å; F292-S295 PolarHBondContact O-OG 2.92Å
296P88.4Confident90.2Very high45 Ų4531 Ų3129%0.29216%0.157SC..  trans-83.8-10.9176.734.3-31.8000113.9D208 R213D208-P296 WeakPolarHBondContact OD1-CD 3.45Å; D208-P296 WeakPolarHBondContact OD1-CG 3.5Å; D208-P296 WeakPolarHBondContact OD2-CD 3.32Å; R213-P296 PolarHBondContact NH2-O 2.78Å
297F88.3Confident89.8Confident39 Ų3932 Ų3217%0.17116%0.163CC..  trans-73.4161.1-169.6-63.4-64.5000114.9V206 D208 R229 A301 H305V206-F297 HydrophobicContact CG1-CD2 3.83Å; V206-F297 HydrophobicContact CG1-CE2 3.66Å; D208-F297 WeakPolarHBondContact OD1-CE2 3.39Å; D208-F297 WeakPolarHBondContact OD2-CE2 3.31Å; R229-F297 WeakPolarHBondContact CD-O 3.42Å; R229-F297 PolarHBondContact NH1-O 3.2Å; F297-A301 HydrophobicContact CB-CB 3.96Å; F297-A301 HydrophobicContact CD1-CB 3.61Å; F297-A301 HydrophobicContact CE1-CB 4.48Å; F297-A301 HydrophobicContact CG-CB 4.06Å; F297-H305 HydrophobicContact CD2-CB 4.21Å; F297-H305 AromaticContact CE1-CE1 3.76Å; F297-H305 AromaticContact CE1-CG 3.97Å; F297-H305 AromaticContact CE1-ND1 3.72Å; F297-H305 HydrophobicContact CE2-CB 3.74Å; F297-H305 AromaticContact CE2-CG 3.78Å; F297-H305 HydrophobicContact CZ-CB 4.04Å; F297-H305 AromaticContact CZ-CD2 3.63Å; F297-H305 AromaticContact CZ-CG 3.53Å; F297-H305 AromaticContact CZ-ND1 3.78Å; F297-H305 AromaticContact CZ-NE2 3.97Å
298N89.6Confident89.6Confident84 Ų8430.2 Ų30.245%0.44915%0.154SC..  trans-80.4171.9156.559.8-34.7000110.6E300 A301 Y302N298-E300 VanDerWaalsContact C-N 3.3Å; N298-E300 PolarHBondContact ND2-OE2 3Å; N298-E300 PolarHBondContact O-N 2.69Å; N298-A301 PolarHBondContact O-N 2.94Å; N298-A301 WeakPolarHBondContact OD1-CB 3.42Å; N298-Y302 WeakPolarHBondContact O-CB 3.43Å; N298-Y302 PolarHBondContact O-N 2.86Å
299L90.2Very high88.8Confident28 Ų2832.8 Ų32.815%0.14717%0.168CC..Hα-helixtrans-52.9-46.9-178.2-173.262.7000112.3P232 W233 A301 Y302 D303P232-L299 HydrophobicContact CB-CD2 4.22Å; W233-L299 HydrophobicContact CB-CD1 4Å; W233-L299 HydrophobicContact CG-CD1 4.12Å; L299-A301 VanDerWaalsContact C-N 3.35Å; L299-A301 PolarHBondContact O-N 2.8Å; L299-Y302 PolarHBondContact O-N 2.67Å; L299-D303 PolarHBondContact O-N 2.76Å
300E87.8Confident87.2Confident113 Ų11336.1 Ų36.153%0.52819%0.19SC..Hα-helixtrans-68.3-32.2-176.1-58.375.6-167.400112.8N298 Q304N298-E300 VanDerWaalsContact C-N 3.3Å; N298-E300 PolarHBondContact ND2-OE2 3Å; N298-E300 PolarHBondContact O-N 2.69Å; E300-Q304 WeakPolarHBondContact O-CG 3.49Å; E300-Q304 PolarHBondContact O-NE2 3.35Å
301A88.1Confident85.6Confident16 Ų1637 Ų3713%0.13220%0.198CC..Hα-helixtrans-84.7-31.5175.300000112F297 N298 L299 Q304 H305F297-A301 HydrophobicContact CB-CB 3.96Å; F297-A301 HydrophobicContact CD1-CB 3.61Å; F297-A301 HydrophobicContact CE1-CB 4.48Å; F297-A301 HydrophobicContact CG-CB 4.06Å; N298-A301 PolarHBondContact O-N 2.94Å; N298-A301 WeakPolarHBondContact OD1-CB 3.42Å; L299-A301 VanDerWaalsContact C-N 3.35Å; L299-A301 PolarHBondContact O-N 2.8Å; A301-Q304 CarbonylContact O-C 3.43Å; A301-Q304 WeakPolarHBondContact O-CA 3.35Å; A301-Q304 WeakPolarHBondContact O-CB 2.99Å; A301-Q304 PolarHBondContact O-N 2.82Å; A301-Q304 VanDerWaalsContact O-N 3.12Å; A301-H305 PolarHBondContact O-N 3.46Å; A301-H305 PolarHBondContact O-ND1 2.79Å
302Y90.3Very high83.5Confident0 Ų038.8 Ų38.80%022%0.218CC..Hα-helixtrans-60.1-47.8172.2179-94.8000111.1V206 W233 E288 F292 N298 L299 Q304 H305 A306V206-Y302 HydrophobicContact CG1-CD2 4.44Å; V206-Y302 HydrophobicContact CG2-CD2 4.08Å; V206-Y302 HydrophobicContact CG2-CE2 3.48Å; V206-Y302 VanDerWaalsContact CG2-CE2 3.48Å; W233-Y302 AromaticContact NE1-CE1 3.98Å; E288-Y302 PolarHBondContact O-OH 3.4Å; F292-Y302 HydrophobicContact CB-CD2 4.37Å; F292-Y302 HydrophobicContact CB-CE2 3.99Å; F292-Y302 AromaticContact CD2-CD1 3.99Å; F292-Y302 HydrophobicContact CD2-CD1 3.99Å; F292-Y302 AromaticContact CD2-CD2 3.64Å; F292-Y302 HydrophobicContact CD2-CD2 3.64Å; F292-Y302 HydrophobicContact CD2-CE1 4.45Å; F292-Y302 HydrophobicContact CD2-CE2 4.11Å; F292-Y302 AromaticContact CD2-CG 3.55Å; F292-Y302 HydrophobicContact CD2-CG 3.55Å; F292-Y302 HydrophobicContact CE2-CD2 4.47Å; F292-Y302 HydrophobicContact CE2-CG 4.14Å; F292-Y302 HydrophobicContact CG-CD2 4.49Å; N298-Y302 WeakPolarHBondContact O-CB 3.43Å; N298-Y302 PolarHBondContact O-N 2.86Å; L299-Y302 PolarHBondContact O-N 2.67Å; Y302-Q304 PolarHBondContact O-N 2.85Å; Y302-Q304 VanDerWaalsContact O-N 3.08Å; Y302-H305 PolarHBondContact O-N 3.14Å; Y302-A306 HydrophobicContact CD1-CB 4.44Å; Y302-A306 HydrophobicContact CE1-CB 4.17Å; Y302-A306 WeakPolarHBondContact O-CB 3.33Å; Y302-A306 PolarHBondContact O-N 2.92Å
303D89.7Confident81.5Confident18 Ų1843.3 Ų43.310%0.09625%0.248CC..Hα-helixtrans-60.3-22.5175.8-71.9-10.6000113.4M189 R236 L299M189-D303 HydrophobicContact CE-CB 3.79Å; R236-D303 IonicContact CZ-OD1 3.02Å; R236-D303 IonicContact NH1-OD1 2.62Å; R236-D303 PolarHBondContact NH1-OD1 2.95Å; R236-D303 IonicContact NH1-OD2 3.54Å; R236-D303 PolarHBondContact NH1-OD2 2.86Å; R236-D303 IonicContact NH2-OD1 3.07Å; L299-D303 PolarHBondContact O-N 2.76Å
304Q85.3Confident79.2Confident43 Ų4347.5 Ų47.520%0.20128%0.277CS..Hα-helixtrans-85.2-32.6172.6-70.3173.581.800112.4K171 R172 E300 A301 Y302K171-Q304 HydrophobicContact CG-CG 4.42Å; R172-Q304 WeakPolarHBondContact CD-O 3.32Å; R172-Q304 WeakPolarHBondContact CG-O 3.43Å; R172-Q304 PolarHBondContact NH1-O 3.29Å; E300-Q304 WeakPolarHBondContact O-CG 3.49Å; E300-Q304 PolarHBondContact O-NE2 3.35Å; A301-Q304 CarbonylContact O-C 3.43Å; A301-Q304 WeakPolarHBondContact O-CA 3.35Å; A301-Q304 WeakPolarHBondContact O-CB 2.99Å; A301-Q304 PolarHBondContact O-N 2.82Å; A301-Q304 VanDerWaalsContact O-N 3.12Å; Y302-Q304 PolarHBondContact O-N 2.85Å; Y302-Q304 VanDerWaalsContact O-N 3.08Å
305H84.8Confident77Confident62 Ų6249 Ų4929%0.28730%0.295SS..Hα-helixtrans-97.9-16.6-174.9-68.180000114.8V206 R207 F297 A301 Y302V206-H305 HydrophobicContact CG1-CB 3.88Å; R207-H305 PolarHBondContact N-O 2.87Å; R207-H305 VanDerWaalsContact N-O 3.14Å; F297-H305 HydrophobicContact CD2-CB 4.21Å; F297-H305 AromaticContact CE1-CE1 3.76Å; F297-H305 AromaticContact CE1-CG 3.97Å; F297-H305 AromaticContact CE1-ND1 3.72Å; F297-H305 HydrophobicContact CE2-CB 3.74Å; F297-H305 AromaticContact CE2-CG 3.78Å; F297-H305 HydrophobicContact CZ-CB 4.04Å; F297-H305 AromaticContact CZ-CD2 3.63Å; F297-H305 AromaticContact CZ-CG 3.53Å; F297-H305 AromaticContact CZ-ND1 3.78Å; F297-H305 AromaticContact CZ-NE2 3.97Å; A301-H305 PolarHBondContact O-N 3.46Å; A301-H305 PolarHBondContact O-ND1 2.79Å; Y302-H305 PolarHBondContact O-N 3.14Å
306A88.5Confident74.8Confident2 Ų256 Ų562%0.01733%0.332CS..EExtended strand (participates in β ladder)trans-64130.9175.200000111.8R172 V203 Y302 Y308R172-A306 PolarHBondContact NH1-O 3.24Å; V203-A306 HydrophobicContact CG2-CB 3.92Å; Y302-A306 HydrophobicContact CD1-CB 4.44Å; Y302-A306 HydrophobicContact CE1-CB 4.17Å; Y302-A306 WeakPolarHBondContact O-CB 3.33Å; Y302-A306 PolarHBondContact O-N 2.92Å; A306-Y308 HydrophobicContact CB-CE2 3.85Å
307V86Confident72.6Confident30 Ų3059.8 Ų59.818%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-113.9117.7175.4-175.30000108.5V203 R204 N205 R207V203-V307 WeakPolarHBondContact CG2-O 3.35Å; R204-V307 PolarHBondContact N-O 3.14Å; N205-V307 PolarHBondContact O-N 3.01Å; R207-V307 HydrophobicContact CG-CG2 4.02Å
308Y87Confident70.2Confident21 Ų2165.7 Ų65.78%0.08237%0.374CS..EExtended strand (participates in β ladder)trans-104.3151.2174.8-53.3-80.8000109.1M165 F192 R193 L196 V203 A306M165-Y308 VanDerWaalsContact CE-CB 3.43Å; M165-Y308 HydrophobicContact CE-CD2 4.45Å; M165-Y308 HydrophobicContact CE-CG 4.15Å; F192-Y308 HydrophobicContact CE1-CE2 4.2Å; F192-Y308 HydrophobicContact CZ-CD2 4.35Å; R193-Y308 PolarHBondContact NH1-OH 3.32Å; L196-Y308 HydrophobicContact CD1-CD1 3.8Å; L196-Y308 HydrophobicContact CD1-CD2 4.34Å; L196-Y308 HydrophobicContact CD1-CE1 3.63Å; L196-Y308 HydrophobicContact CD1-CE2 4.19Å; L196-Y308 HydrophobicContact CD1-CG 4.16Å; V203-Y308 HydrophobicContact CB-CD1 4.05Å; V203-Y308 HydrophobicContact CB-CE1 3.81Å; V203-Y308 HydrophobicContact CG2-CD1 4.4Å; V203-Y308 HydrophobicContact CG2-CE1 4.17Å; A306-Y308 HydrophobicContact CB-CE2 3.85Å
309D76.9Confident67.9Low55 Ų5566.8 Ų66.829%0.29439%0.388SS..PPolyproline II helixtrans-73.7131.3171.6-70.4-33.3000110.8V201 R204 P311V201-D309 VanDerWaalsContact CG1-O 3.3Å; V201-D309 WeakPolarHBondContact CG1-O 2.99Å; R204-D309 VanDerWaalsContact CD-OD1 3.27Å; R204-D309 WeakPolarHBondContact CD-OD1 3Å; R204-D309 VanDerWaalsContact CD-OD2 3.29Å; R204-D309 WeakPolarHBondContact CD-OD2 3.14Å; R204-D309 WeakPolarHBondContact CG-OD2 3.4Å; R204-D309 IonicContact CZ-OD1 3.81Å; R204-D309 IonicContact CZ-OD2 3.25Å; R204-D309 IonicContact NE-OD1 2.88Å; R204-D309 IonicContact NE-OD2 3.18Å; R204-D309 PolarHBondContact NE-OD2 2.88Å; R204-D309 VanDerWaalsContact NE-OD2 3.08Å; R204-D309 IonicContact NH1-OD1 2.72Å; R204-D309 PolarHBondContact NH1-OD1 2.72Å; R204-D309 IonicContact NH1-OD2 3Å; R204-D309 PolarHBondContact NH1-OD2 3.22Å; R204-D309 VanDerWaalsContact NH1-OD2 3.07Å; R204-D309 IonicContact NH2-OD2 2.78Å; D309-P311 WeakPolarHBondContact O-CD 3.3Å
310C60Low65.3Low69 Ų6971.6 Ų71.647%0.46643%0.425SS..PPolyproline II helixtrans-79.2119.5158.2-71.20000107M165 A312M165-C310 PolarHBondContact SD-SG 3.48Å; C310-A312 PolarHBondContact O-N 3.46Å
311P58.4Low63Low47 Ų4770.4 Ų70.431%0.30543%0.429SS..PPolyproline II helixtrans-53.2132.2159.3-23.435.6000107.8R162 V201 D309R162-P311 PolarHBondContact NE-O 3.03Å; R162-P311 PolarHBondContact NH2-O 2.84Å; V201-P311 HydrophobicContact CG2-CG 4.32Å; D309-P311 WeakPolarHBondContact O-CD 3.3Å
312A47.4Very low60.7Low78 Ų7878 Ų7865%0.64547%0.467SS*.PPolyproline II helixtrans-56.2153.1-179.300000110.7R162 C310 S314R162-A312 PolarHBondContact NH2-O 2.92Å; C310-A312 PolarHBondContact O-N 3.46Å; A312-S314 PolarHBondContact O-N 3.32Å; A312-S314 VanDerWaalsContact O-N 3.13Å
313P52.6Low57.9Low95 Ų9583.3 Ų83.362%0.61750%0.504SS*.PPolyproline II helixtrans-56.7120.4160.226.5-31.8000107.8S315P313-S315 PolarHBondContact O-N 2.83Å
314S42.9Very low55.1Low88 Ų8887.9 Ų87.962%0.61554%0.538SS*.PPolyproline II helixtrans-55.5125.2159.542.40000107A312 N316A312-S314 PolarHBondContact O-N 3.32Å; A312-S314 VanDerWaalsContact O-N 3.13Å; S314-N316 PolarHBondContact O-N 2.62Å
315S43.5Very low52.7Low95 Ų9592.4 Ų92.466%0.66457%0.568SS**THydrogen-bonded Turntrans-65.8-0.8-166.9390000115.1P313 H318P313-S315 PolarHBondContact O-N 2.83Å; S315-H318 PolarHBondContact O-CD2 3.38Å
316N45.4Very low50.5Low148 Ų14896.2 Ų96.279%0.79159%0.589SS**THydrogen-bonded Turntrans-93.311.5-174.9-62.332.1000113.7S314S314-N316 PolarHBondContact O-N 2.62Å
317E42.1Very low47.8Very low124 Ų124100.8 Ų100.858%0.57963%0.627SS**  trans-102.953.4167.9-70.7-163.6-178.300112.4Q155Q155-E317 VanDerWaalsContact CD-OE1 3.28Å; Q155-E317 VanDerWaalsContact CG-OE1 3.28Å; Q155-E317 WeakPolarHBondContact CG-OE1 3.21Å; Q155-E317 PolarHBondContact NE2-OE1 2.96Å; Q155-E317 PolarHBondContact NE2-OE2 2.91Å
318H37.7Very low45.1Very low163 Ų163106.1 Ų106.176%0.75565%0.653SS**  trans-84.5151.4151.5-76.3-105.8000109.1S315S315-H318 PolarHBondContact O-CD2 3.38Å
319S41.3Very low42.9Very low107 Ų107110.3 Ų110.375%0.74869%0.685SS**  trans5971172.8-59.70000117.7
320S35.8Very low40.9Very low130 Ų130115.3 Ų115.391%0.90971%0.706SS**  trans-102.189.6133.5-174.60000107.3
321S39.7Very low39.6Very low88 Ų88118.5 Ų118.562%0.61572%0.719SS**  trans-71.1138.7-169.2-62.30000112.8
322N38.9Very low38.5Very low175 Ų175124.3 Ų124.394%0.93674%0.742SS**  trans-154.852.1159.2-108.6-21.1000110.1
323S32.3Very low37.8Very low112 Ų112127.7 Ų127.778%0.78374%0.744SS**  trans-162.454.4172.1-175.70000110.5V325S323-V325 PolarHBondContact O-N 3.35Å
324S31.5Very low36.7Very low114 Ų114129 Ų12980%0.79775%0.746SS**  trans-75.4105.717449.90000110.8
325V34.7Very low36Very low137 Ų137129.9 Ų129.983%0.8375%0.752SS**  trans-130.6125.3157.9179.10000106.9S323S323-V325 PolarHBondContact O-N 3.35Å
326I38Very low35.4Very low142 Ų142129.5 Ų129.573%0.72876%0.755SS**  trans-86.3142.3-179.5-62.5166.2000108.4I328I326-I328 HydrophobicContact CG2-CD1 3.97Å; I326-I328 HydrophobicContact CG2-CG1 3.76Å
327A32.4Very low34.5Very low99 Ų99131.1 Ų131.182%0.81876%0.758SS**  trans-128111.9156.900000106.9
328I29.4Very low33.9Very low142 Ų142133.6 Ų133.673%0.72877%0.771SS**  trans-100.2152.7165.8-71.1168.3000106.7I326I326-I328 HydrophobicContact CG2-CD1 3.97Å; I326-I328 HydrophobicContact CG2-CG1 3.76Å
329S40Very low33.6Very low108 Ų108133 Ų13376%0.75577%0.769SS**  trans-103.7144.2-165.7-44.80000112.2
330E34.7Very low33.7Very low160 Ų160133 Ų13375%0.74877%0.767SS**  trans-169.1140.2157.738.2-134.5136.900107.1
331D32.7Very low34.2Very low137 Ų137131.9 Ų131.973%0.73376%0.756SS**  cis-162.5165.5-0.7-101.6-15.8000111.4
332E35.6Very low33.8Very low169 Ų169130.5 Ų130.579%0.7976%0.756SS**  trans46.2165.8144.6-60.4-6969.500121.3
333E32.8Very low33.7Very low148 Ų148129.9 Ų129.969%0.69275%0.752SS**  cis-151.1136.81.5-128-155103.700106.5
334N28.7Very low33.8Very low123 Ų123129.9 Ų129.966%0.65875%0.753SS**  86.6138.599.5-167.411.1000119.1
335S29.3Very low33.7Very low106 Ų106128.6 Ų128.674%0.74175%0.749SS**  trans68.5146.7159.1-75.30000120.6
336A30.5Very low33.8Very low87 Ų87126.9 Ų126.972%0.71974%0.743SS**  cis-159.5174.5-9.900000112.7
337E26.4Very low33.5Very low182 Ų182126.1 Ų126.185%0.8575%0.745SS**  trans-11.7142.4172.4-58.6175.3101.800122.5
338M29.5Very low33.5Very low176 Ų176128.3 Ų128.387%0.86774%0.742SS**  -171.2138.5102.1-154.766177.900113.8
339E31.9Very low33.6Very low151 Ų151125.7 Ų125.771%0.70674%0.736SS**  trans-69.2174.1169.1-97-89.1118.100112.5
340P43.6Very low33.3Very low107 Ų107128.8 Ų128.870%0.69574%0.739SS**  cis-149-153.335.538.8-13000116.6
341P45.8Very low33.3Very low106 Ų106125.9 Ų125.969%0.68874%0.736SS**  -103.9174.3-83.237.4-22.8000111.5
342G31.7Very low33.3Very low59 Ų59125.9 Ų125.961%0.60874%0.735SS**  cis105.9132.425.400000110.2
343N36Very low33.3Very low162 Ų162128.8 Ų128.887%0.86674%0.739SS**  cis-129.2-138.1-4.7-66.8-45.8000108.4
344S35.5Very low33Very low113 Ų113129.6 Ų129.679%0.7975%0.748SS**  cis-174.2152.60.1260000107.6
345A29.3Very low33.3Very low86 Ų86130 Ų13071%0.71175%0.751SS**  cis-160.9150.2-9.600000111.4
346S36.3Very low33.6Very low102 Ų102131.9 Ų131.971%0.71375%0.748SS**  trans52.1147.6143.4-51.80000121.1
347T30.3Very low33.9Very low125 Ų125132.8 Ų132.877%0.76775%0.745SS**  cis-155.7120.643.4-58.40000108.4
348L33.4Very low34.8Very low146 Ų146130.4 Ų130.476%0.76475%0.745SS**  54.8140.692.2-62168.5000115.5
349S31.8Very low34.7Very low86 Ų86125.4 Ų125.460%0.60174%0.738SS**  cis-174.8-176.9-12.6500000111.1
350Q34.4Very low36Very low174 Ų174124 Ų12481%0.81374%0.742SS**  trans83132.9168.5-58.9170.2-2.900116.9
351S32.8Very low35.4Very low98 Ų98123.6 Ų123.669%0.68574%0.742SS**  cis98.6146.116.5790000115
352L32.9Very low34.6Very low137 Ų137129.1 Ų129.172%0.71775%0.75SS**  cis-172.7152.8-10.4-114.2170000108.7
353W36.2Very low34.7Very low230 Ų230130.9 Ų130.987%0.87175%0.754SS**  trans63.5135.3171.9-48.1103.9000119.5
354D27.6Very low34.4Very low165 Ų165128.9 Ų128.988%0.88275%0.747SS**  178.7178.4114.6-129.430.8000110
355D34.3Very low34Very low133 Ų133129 Ų12971%0.71174%0.743SS**  -141.8168.6-100.3-167.631.8000111
356E36.2Very low34Very low145 Ų145130.7 Ų130.768%0.67875%0.745SS**  trans26.9119.7165.2-78.3-65.6112.400123.6
357T35.8Very low33.6Very low106 Ų106134 Ų13465%0.6575%0.749SS**  58.3112128.1-61.90000122.1
358P44.7Very low34.5Very low132 Ų132133 Ų13386%0.85775%0.745SS**PPolyproline II helixtrans-88.9122.617233.7-31.9000114.3
359G29.2Very low34.2Very low70 Ų70130.8 Ų130.872%0.72274%0.742SS**PPolyproline II helixtrans-96.3163164.800000113.3
360P59Low34.1Very low123 Ų123136.3 Ų136.380%0.79975%0.749SS**PPolyproline II helixtrans-102.2157.1-165.738-35000115.2
361S29.7Very low34Very low97 Ų97134.3 Ų134.368%0.67874%0.74SS**  169.5156.4118.4-74.30000115.4
362Y29.5Very low33.7Very low222 Ų222134.9 Ų134.987%0.87174%0.735SS**  trans62.3138153.978.5-104.6000123.3
363S33.2Very low33.4Very low97 Ų97136.4 Ų136.468%0.67874%0.737SS**  trans-81.6170.2162.3-53.50000109.9
364T30.7Very low33Very low119 Ų119133.1 Ų133.173%0.7373%0.731SS**  177.4162.154.7-32.40000111.2
365T27.4Very low33Very low115 Ų115131.1 Ų131.171%0.70673%0.725SS**  trans72.6139.4149.628.80000123.8
366T28.4Very low32.9Very low123 Ų123130.8 Ų130.876%0.75573%0.727SS**  trans65.9126.8153.448.90000119.2
367E28.9Very low32.9Very low170 Ų170130.5 Ų130.579%0.79473%0.73SS**  69.9148.951.7-74.3-70.5134.900114.1
368P49.2Very low32.6Very low106 Ų106131.4 Ų131.469%0.68873%0.731SS**  cis-132.7-154.80.141.8-24000113.7
369S26.3Very low32Very low98 Ų98131.5 Ų131.569%0.68572%0.723SS**  trans93.3127.9155.5-152.10000116.2
370R30.4Very low31.7Very low202 Ų202134.3 Ų134.376%0.76272%0.722SS**  cis-167.1151.71.1-122.3178.3179.3-141.410.9111.9
371Q31.1Very low30.3Very low132 Ų132133.2 Ų133.262%0.61772%0.717SS**  trans63.6146.1146.6-72.5-175.5-97.600119.9
372D27.1Very low29.9Very low110 Ų110137.1 Ų137.159%0.58872%0.724SS**  cis-131.5170.6-7.8-74.5-53.2000107.5
373F27.5Very low29.9Very low170 Ų170131.6 Ų131.675%0.74672%0.718SS**  cis-151.4142.336.6-73.5-88.7000109.9
374Q27.3Very low29.7Very low161 Ų161131.9 Ų131.975%0.75272%0.72SS**  62.3124.588.9-135.1172.912.900112.3
375T28.1Very low29.7Very low122 Ų122131 Ų13175%0.74872%0.719SS**  cis-174.1163.412.510.20000108.6
376V30.9Very low29.8Very low127 Ų127134.1 Ų134.177%0.7773%0.725SS**  cis-159.2-161.1-8.185.60000111.2
377L35.6Very low30Very low139 Ų139135.7 Ų135.773%0.72873%0.729SS**  trans-77.7-175.3-179.4-48.4160.5000114.4
378D30Very low29.9Very low125 Ų125136.5 Ų136.567%0.66873%0.733SS**  cis-165.4170.39.2-134.3-26.5000113.2
379L32Very low29.4Very low134 Ų134140.3 Ų140.370%0.70274%0.742SS**  trans61.7147.3151.5-67.5165.1000125.4
380D23.8Very low29.6Very low129 Ų129143.6 Ų143.669%0.6975%0.746SS**  trans54.9135148.8-57-23.1000121.9
381S28.9Very low29.4Very low99 Ų99142.9 Ų142.969%0.69275%0.753SS**  60.1121.768.5-51.40000113
382E22.5Very low29.3Very low180 Ų180144.3 Ų144.384%0.84176%0.758SS**  -159.1-17863.5-84-78.777.500114
383S27.8Very low29.4Very low106 Ų106142.5 Ų142.574%0.74177%0.766SS**  trans-59.7173.1167.6-127.80000113.8
384S29.1Very low29.4Very low103 Ų103138.5 Ų138.572%0.7276%0.764SS**  cis-163.5178.4-0.3-126.90000106.6
385S31.3Very low29.3Very low100 Ų100136.9 Ų136.970%0.69977%0.77SS**  cis-151.9-167-3.942.30000106.1
386E29.5Very low30Very low181 Ų181136.8 Ų136.885%0.84677%0.772SS**  cis-138.5-178.89.5-55170.4133.200106.8
387D32.5Very low30.7Very low155 Ų155136.4 Ų136.483%0.82977%0.772SS**  cis-146.3165.16.4-179.325.9000108.2
388E27Very low30.5Very low187 Ų187138 Ų13887%0.87478%0.776SS**  trans-104.9161.3-163.9-79.9-147.197.400117.9
389Q39.8Very low30.5Very low187 Ų187139.8 Ų139.887%0.87478%0.783SS**  trans-89.1162.1-176.2-59.3177.1-5.600112.6
390Q29.2Very low30.5Very low166 Ų166138.5 Ų138.578%0.77679%0.786SS**  trans-144.9117.7152.5-167.5165.390.300113.1F392Q390-F392 HydrophobicContact CG-CD2 4.16Å; Q390-F392 HydrophobicContact CG-CE2 3.96Å
391M27.4Very low30.6Very low187 Ų187137.4 Ų137.492%0.92179%0.788SS**  trans-141.9122.2155.2-171.5171.9177.900109.5
392F28.4Very low30.7Very low162 Ų162142.6 Ų142.671%0.71179%0.794SS**  trans-71.3157172.9-74.2-102.8000110.5Q390Q390-F392 HydrophobicContact CG-CD2 4.16Å; Q390-F392 HydrophobicContact CG-CE2 3.96Å
393G29.7Very low31Very low73 Ų73138.7 Ų138.775%0.75379%0.787SS**  cis152.2-176.4700000108.9
394A27Very low31.5Very low85 Ų85141.9 Ų141.970%0.70279%0.79SS**  cis-163.8145.7-15.300000109
395S26Very low31.8Very low128 Ų128142.8 Ų142.890%0.89579%0.791SS**  trans-152.8112.1165.7-77.40000111.1
396P41.5Very low31.8Very low119 Ų119145.1 Ų145.177%0.77380%0.796SS**  trans-134.1174.7160.738.4-23.7000112.1
397P46.5Very low32.1Very low120 Ų120142.2 Ų142.278%0.77979%0.79SS**  cis-127.9169.57.141.6-27.2000116.4
398Q30.4Very low32.2Very low172 Ų172138.7 Ų138.780%0.80478%0.782SS**  trans-91.4161.2157.1-83.4-83.78.600110.3
399I29.8Very low32.6Very low162 Ų162139.3 Ų139.383%0.83179%0.785SS**  trans-132.7131.6148.3-68.9-174.9000108
400S32.7Very low32.4Very low108 Ų108135 Ų13576%0.75578%0.781SS**  trans-101.5150.5178.252.90000112.3
401S25.5Very low32.4Very low106 Ų106134 Ų13474%0.74178%0.781SS**  trans-157.6159146.952.80000109.7
402Y30.6Very low32.5Very low207 Ų207128.6 Ų128.681%0.81277%0.773SS**  trans-13.4149.1175.889.5-55.2000119.9
403S30.1Very low32.7Very low98 Ų98125.5 Ų125.569%0.68577%0.768SS**  cis-170.9170.8-3.541.90000111.9
404Q37.5Very low32.9Very low174 Ų174128.7 Ų128.781%0.81377%0.768SS**  trans91.597.5153.3-158.9160.257.600119.3
405T34.9Very low33.3Very low121 Ų121132.8 Ų132.874%0.74277%0.772SS**  trans31.2130.5140.459.60000119.4
406D32Very low33.5Very low150 Ų150133.3 Ų133.380%0.80277%0.765SS**  cis176.3178.536.4-146.9-24.3000112.7
407V35.3Very low33.1Very low120 Ų120133 Ų13373%0.72777%0.765SS**  trans52.699.1161.4-162.30000122.9
408A35.2Very low32.6Very low80 Ų80131.4 Ų131.466%0.66176%0.761SS**  trans17.3128130.800000125.1
409H34.1Very low32.8Very low201 Ų201128.3 Ų128.393%0.93176%0.759SS**  53.3158.1125.5-82.2-81.5000124.5
410A37.5Very low33Very low95 Ų95126 Ų12679%0.78576%0.757SS**  trans-129.7164.9-176.100000112.5
411D28.4Very low33Very low147 Ų147128.6 Ų128.679%0.78676%0.762SS**  trans-148.8165.4148.6-167.418.2000109.4
412G29.6Very low33.4Very low72 Ų72126 Ų12674%0.74275%0.752SS**  trans-167.6107.1179.900000112.7
413T32.8Very low33.7Very low98 Ų98124.4 Ų124.460%0.60176%0.757SS**  trans-118.2147.2-163.935.40000114.7
414N32.5Very low34Very low140 Ų140126.2 Ų126.275%0.74976%0.76SS**  trans66.3164.1143.6-57.3-14.7000123.7
415E37Very low34.1Very low170 Ų170124.1 Ų124.179%0.79476%0.763SS**  trans108.2136.7144.5-50.4-149.1132.500122.4
416D30.5Very low34.6Very low139 Ų139123.1 Ų123.174%0.74376%0.756SS**  trans67.2140.1156.9-68.9-14.5000123.9
417C32.9Very low35.1Very low114 Ų114124 Ų12477%0.7776%0.759SS**  cis91.6131.625.4-174.40000113.6
418A34.5Very low35.2Very low85 Ų85124.1 Ų124.170%0.70276%0.76SS**  cis-165.5169.6-21.700000111.8
419S35.2Very low35.6Very low108 Ų108123.4 Ų123.476%0.75576%0.76SS**  trans74.9149.8153.8-158.50000121.2
420S35Very low35.8Very low114 Ų114123 Ų12380%0.79775%0.752SS**  trans69.4149.8158.7-58.70000117.7
421D32.8Very low36.2Very low162 Ų162124.4 Ų124.487%0.86675%0.751SS**  cis-163165.5-21.4-177.928000107.6
422G34Very low36.8Very low51 Ų51125.8 Ų125.853%0.52675%0.749SS.*  trans88106.1160.500000119.7
423D35.3Very low37.3Very low173 Ų173127.4 Ų127.493%0.92575%0.747SS**  trans70.1162133.6-70.8-42.2000125.2
424D37.3Very low37.7Very low137 Ų137128.8 Ų128.873%0.73376%0.755SS**  trans69.174.7160.5-142.912.9000121.8V426D424-V426 PolarHBondContact O-N 2.77Å; D424-V426 WeakPolarHBondContact OD1-CG2 2.99Å
425C40.3Very low38Very low130 Ų130128.3 Ų128.388%0.87876%0.758SS**  trans-7872.6167.8-75.40000113.7I427C425-I427 PolarHBondContact O-N 2.75Å
426V43.8Very low38.4Very low99 Ų99127.9 Ų127.960%0.676%0.756SS**  trans-72.5116.2173.1-177.50000111.6D424 V428D424-V426 PolarHBondContact O-N 2.77Å; D424-V426 WeakPolarHBondContact OD1-CG2 2.99Å; V426-V428 HydrophobicContact CG1-CG2 4.19Å; V426-V428 PolarHBondContact O-N 3.18Å; V426-V428 VanDerWaalsContact O-N 3.16Å
427I42.3Very low38.9Very low168 Ų168131.4 Ų131.486%0.86276%0.759SS**  trans-78.499.7179.4-56.5175.6000110.7C425C425-I427 PolarHBondContact O-N 2.75Å
428V39.2Very low39.6Very low124 Ų124131.7 Ų131.775%0.75276%0.757SS**  trans-98.7112.6170.2-175.50000110.3V426 Y430V426-V428 HydrophobicContact CG1-CG2 4.19Å; V426-V428 PolarHBondContact O-N 3.18Å; V426-V428 VanDerWaalsContact O-N 3.16Å; V428-Y430 PolarHBondContact O-N 3.3Å
429G43Very low40.2Very low65 Ų65133.3 Ų133.367%0.6776%0.76SS**  trans-74.710517900000112.5V431G429-V431 PolarHBondContact O-N 3Å; G429-V431 VanDerWaalsContact O-N 3.15Å
430Y37.4Very low40.4Very low193 Ų193137 Ų13776%0.75777%0.766SS**  trans-74.2104.4-178.5-165.9-92.7000112.7V428V428-Y430 PolarHBondContact O-N 3.3Å
431V45.5Very low40.5Very low124 Ų124139.2 Ų139.275%0.75277%0.768SS**PPolyproline II helixtrans-84.4126.5170.71790000109G429 P433G429-V431 PolarHBondContact O-N 3Å; G429-V431 VanDerWaalsContact O-N 3.15Å; V431-P433 WeakPolarHBondContact O-CD 3.3Å
432K42.2Very low40.8Very low175 Ų175137.6 Ų137.676%0.76176%0.764SS**PPolyproline II helixtrans-65.3128.3175.5-83.9-166.3171.9-169.50111.4
433P39.6Very low40.8Very low106 Ų106143.7 Ų143.769%0.68878%0.778SS**PPolyproline II helixtrans-62158.2165.2-21.534.2000112.2V431V431-P433 WeakPolarHBondContact O-CD 3.3Å
434T40.3Very low40.7Very low127 Ų127142.7 Ų142.778%0.77977%0.772SS**  trans-13192.8-174.253.80000113.1
435T40.1Very low40.4Very low131 Ų131141.7 Ų141.780%0.80478%0.775SS**  trans-164.7166.8156.315.60000110.8
436E45.1Very low40.1Very low161 Ų161140.1 Ų140.175%0.75277%0.766SS**  trans72.7104.1171.1-39.9-154.8133.700114.2
437R41.6Very low39.4Very low213 Ų213142.4 Ų142.480%0.80478%0.775SS**  66.7131.467.3-69.3-173.7-176.9117.4-5.6112.9
438T47Very low39Very low120 Ų120138.9 Ų138.974%0.73677%0.765SS**  cis-162.5147.2-18.86.10000106
439P46.5Very low38.7Very low119 Ų119140.4 Ų140.477%0.77377%0.769SS**  trans-73.7131.117630.4-33.2000111.2
440E40Very low38.2Very low185 Ų185140.1 Ų140.186%0.86477%0.766SS**  trans-68.9138.6169.7-69.5-175.7114.600111.1
441L36.9Very low37.9Very low161 Ų161136.8 Ų136.884%0.84377%0.771SS**  trans-90115.7157.5-98.773000107.8H443L441-H443 PolarHBondContact O-N 3.34Å
442V38.6Very low37.2Very low128 Ų128135.6 Ų135.678%0.77677%0.768SS**  trans-71.3117.9166.1-178.60000108.1
443H34.3Very low36.6Very low178 Ų178133.1 Ų133.182%0.82477%0.767SS**  trans-131.8116.8173.5-155.2-120.3000108.4L441L441-H443 PolarHBondContact O-N 3.34Å
444L32.9Very low36.5Very low153 Ų153136.3 Ų136.380%0.80177%0.773SS**  trans-88.8138.2-178.8-64.5172.7000110.1
445S32.3Very low36.1Very low115 Ų115138 Ų13880%0.80477%0.772SS**  trans-65.9171168.3-45.50000110.7
446S34.1Very low35.7Very low97 Ų97137.9 Ų137.968%0.67877%0.767SS**  cis-160.1-174.124.3-173.20000111.5
447D28.6Very low35Very low147 Ų147138.2 Ų138.279%0.78677%0.768SS**  trans83.7139.9157.4-49.5-14.4000117.5
448S34.4Very low34.3Very low94 Ų94137.3 Ų137.366%0.65777%0.773SS**  cis-159.5164.7-26.1-167.20000108.8
449D32.4Very low33.7Very low156 Ų156135.8 Ų135.883%0.83477%0.773SS**  trans67150.4168.9-48-7.3000115.9
450G33.2Very low33.5Very low59 Ų59135.5 Ų135.561%0.60877%0.771SS**  cis166.4140.1-8.300000110.6
451S30.9Very low33Very low123 Ų123133.6 Ų133.686%0.8677%0.766SS**  trans65.1156.5-177.380.60000116
452S29.3Very low32.7Very low99 Ų99134 Ų13469%0.69276%0.763SS**  cis-167.5138.4-23.2470000110.9
453V31.5Very low32.2Very low123 Ų123133.7 Ų133.775%0.74577%0.767SS**  trans35.7117.9146.6-162.20000119.8
454E35.7Very low32Very low174 Ų174134.1 Ų134.181%0.81377%0.769SS**  178.8152.1117.1-96.1-61.5116.700110.5
455E32.8Very low31.7Very low163 Ų163135.2 Ų135.276%0.76277%0.77SS**  trans-123.1131.8-178.3173.7-175.8173.500109.3
456N30.6Very low31.6Very low128 Ų128137 Ų13768%0.68477%0.769SS**  trans-175.5138.6141.1-104.3-66.8000114.1
457Q31.2Very low31.2Very low168 Ų168142.4 Ų142.479%0.78578%0.775SS**  trans8.9140141.8-56.9172.882.600118.1
458E27.6Very low31.1Very low193 Ų193145.7 Ų145.790%0.90278%0.782SS**  cis-153.8-176.543.2-147.8174.2144.500113.9
459A34.3Very low30.7Very low89 Ų89147.3 Ų147.374%0.73679%0.788SS**  trans-97.4-166.8-167.200000112.9
460P42Very low30.6Very low112 Ų112144.8 Ų144.873%0.72778%0.783SS**  cis-141.9165.717.839.9-18000120.1
461L29.3Very low30.3Very low146 Ų146148.2 Ų148.276%0.76480%0.796SS**  trans55.7105.9152.2-64.1165000119.5
462Q30Very low30.6Very low169 Ų169147.7 Ų147.779%0.7979%0.792SS**  66.2119.279.5-76.6-165.1-9.300117.4
463S28.3Very low31.1Very low122 Ų122149.2 Ų149.285%0.85380%0.8SS**  trans-145.5138.2133.561.70000109.8
464Q30.7Very low30.8Very low187 Ų187147.7 Ų147.787%0.87480%0.8SS**  trans-111.3152171.8-70.6-174.6-4.800109.4
465H27.3Very low30.5Very low176 Ų176146.4 Ų146.482%0.81580%0.799SS**  trans-141.9131.9-176-175-89.8000110.1
466I29.8Very low30.3Very low153 Ų153144.6 Ų144.679%0.78580%0.804SS**  trans178.6118.4149.9-96.5150.5000110.2
467R25.6Very low30.3Very low210 Ų210147.4 Ų147.479%0.79281%0.813SS**  trans151.6137133.8-85.2-157179.2116.62110.7
468F25.9Very low30.1Very low216 Ų216145.5 Ų145.595%0.94782%0.818SS**  trans-148.8152.4140.7-93.6-64.9000109.9
469T25.6Very low30.3Very low127 Ų127141.5 Ų141.578%0.77981%0.811SS**  trans-123.4149.4-172.9-53.20000109.5
470S32Very low30Very low104 Ų104144.8 Ų144.873%0.72782%0.817SS**  trans-86142.5177.654.90000113.1
471C26.7Very low29.4Very low130 Ų130144.6 Ų144.688%0.87882%0.818SS**  -173.4166.4128.4-106.10000113.1
472S35.7Very low29.6Very low113 Ų113142.8 Ų142.879%0.7982%0.818SS**  trans-85.7167.6-173.1-41.40000114.2
473P39.8Very low29.6Very low131 Ų131144.8 Ų144.885%0.85182%0.824SS**  trans-129.3168.6145.338.5-28.5000113.4
474A26.1Very low29.7Very low91 Ų91143.7 Ų143.775%0.75282%0.822SS**  trans-147.2152171.400000112
475N28.4Very low29.6Very low146 Ų146138.1 Ų138.178%0.78182%0.815SS**  trans56.1122.6166.7-66.76.8000120.2
476S29.3Very low29.7Very low125 Ų125137.6 Ų137.687%0.87481%0.813SS**  -166.8159.7112.4-80.70000111.5
477H31.5Very low29.7Very low187 Ų187135.3 Ų135.387%0.86681%0.806SS**  trans-126.1143.1-179.1-66-100.8000111.2
478S26.9Very low30.7Very low128 Ų128130.2 Ų130.290%0.89580%0.8SS**  trans-163.3154.815354.50000112.1
479S31.3Very low30.9Very low109 Ų109130 Ų13076%0.76280%0.799SS**  trans-97.5161.9-157-42.20000117.5
480D27.8Very low31Very low158 Ų158127.2 Ų127.285%0.84580%0.795SS**  trans38.2130.9143.3-75-52.7000123.5
481S29.4Very low30.8Very low108 Ų108131.3 Ų131.376%0.75580%0.803SS**  -170118.8127.4580000116.5
482S32.4Very low31Very low109 Ų109130.3 Ų130.376%0.76279%0.793SS**  64.5127.6127.9-57.70000125.6
483K31Very low30.7Very low211 Ų211131.3 Ų131.392%0.91779%0.789SS**  trans67.8156152.4-69.2-176.9176.1-178.80118.4
484A30.4Very low30.2Very low98 Ų98133 Ų13381%0.8179%0.786SS**  cis-173.8170.3-23.300000107.6
485G27.8Very low30.4Very low70 Ų70137.1 Ų137.172%0.72279%0.789SS**  cis-128.2-117.9-6.500000110
486E29.5Very low30.5Very low166 Ų166138.4 Ų138.478%0.77679%0.79SS**  cis-162.7-161.7-14-132.1-39.1-74.500110
487T31.1Very low30.5Very low104 Ų104141.8 Ų141.864%0.63879%0.792SS**  trans-135.4171.9-162.370.90000114.6
488P46.1Very low30.2Very low104 Ų104137.7 Ų137.768%0.67578%0.784SS**  -151.8148.383.338.3-18.7000118.6
489K29Very low30.3Very low211 Ų211136.5 Ų136.592%0.91778%0.776SS**  trans63.6142154-59.7163.5-176.2177.70119.3
490G27.8Very low30.2Very low68 Ų68136.4 Ų136.470%0.70178%0.775SS**  cis157.9145.8-1300000114.7
491Q29.5Very low30.5Very low191 Ų191138 Ų13889%0.89378%0.775SS**  trans67.1153.9161.9-59.8179.9-13.800118.6
492T30.8Very low30.4Very low109 Ų109139.5 Ų139.567%0.66977%0.77SS**  cis-161.4150.3-25.6230000110.5
493D28.4Very low30.2Very low133 Ų133144.4 Ų144.471%0.71177%0.771SS**  trans61.5124.8140-61-9.2000126.6
494H30.3Very low30.2Very low168 Ų168142.1 Ų142.178%0.77877%0.768SS**  trans75.1136.8132.1-80.8-69.8000126.3
495H29.2Very low30.1Very low176 Ų176140.6 Ų140.682%0.81576%0.763SS**  trans99.5151.3145.7-91.1-37.4000123.1
496H30.8Very low30.3Very low173 Ų173142.3 Ų142.380%0.80176%0.764SS**  trans-94.8149.2-178.5-67.2-82.6000110.8
497Q28.3Very low30.3Very low196 Ų196141.2 Ų141.292%0.91676%0.763SS**  -178-173.5105.4-96.3-170.445.200111
498S26.9Very low30.4Very low101 Ų101141.2 Ų141.271%0.70676%0.763SS**  trans-129.3155.2-160.2610000115.6
499S28.7Very low29.7Very low103 Ų103145.8 Ų145.872%0.7277%0.768SS**  trans109.914713783.20000120.1
500S30Very low29.6Very low107 Ų107141.2 Ų141.275%0.74875%0.753SS**  trans74.7152.9157.692.30000116.6
501K33.1Very low29.6Very low192 Ų192143.8 Ų143.884%0.83576%0.756SS**  cis-162.4-162.7-16.1-129.1177.7-178.9175.20109.6
502E27.8Very low29.5Very low140 Ų140140.2 Ų140.265%0.65475%0.752SS**  trans88.4141.5172.7-49.9-105.1107.800115
503R27Very low29.3Very low211 Ų211140.9 Ų140.980%0.79676%0.761SS**  cis-148.3172.6-14.2-123.7179.8-155.7170.628.9111.9
504L31.2Very low29.3Very low163 Ų163137.8 Ų137.885%0.85376%0.761SS**  trans-94.7168.8179.2-72165.6000111
505G29.3Very low29.2Very low67 Ų67142 Ų14269%0.69177%0.77SS**  cis179.5-154.55.200000113.3
506S31.6Very low29.3Very low106 Ų106144.5 Ų144.574%0.74177%0.772SS**  cis-135.8-101.45.9-66.10000114.2
507N29.1Very low29.3Very low143 Ų143142 Ų14277%0.76577%0.769SS**  cis-155.9-179.8-2.9-1568.3000112.8
508T33.2Very low29.5Very low103 Ų103139.6 Ų139.663%0.63276%0.758SS**  trans-55.4149.3-17847.40000116.7
509Y31.1Very low29.7Very low201 Ų201141.9 Ų141.979%0.78876%0.755SS**  cis-165.4-166.22.347.9-161.5000109.3
510N27.6Very low29.8Very low114 Ų114146.8 Ų146.861%0.6176%0.757SS**  cis-157.1-128.518.2-150.3-27.8000114.3
511T27.2Very low29.8Very low122 Ų122149 Ų14975%0.74875%0.754SS**  trans-141.9168.9-155.145.90000113
512S27.4Very low29.6Very low117 Ų117145.4 Ų145.482%0.81874%0.744SS**  cis-148.9-155.4-8.555.80000109.6
513S28.2Very low29.8Very low122 Ų122142.7 Ų142.785%0.85374%0.74SS**  trans-156.6157.117470.90000116.2
514G27.1Very low30Very low69 Ų69142.5 Ų142.571%0.71174%0.74SS**  trans170.5168.9174.300000111.8
515R29.4Very low29.9Very low256 Ų256140.2 Ų140.297%0.96672%0.724SS**  cis-160.8-173.1-13.9-124.2-177.2-169.5-144.94.8110.8
516R29.8Very low30Very low229 Ų229146.6 Ų146.686%0.86473%0.728SS**  trans-91.6161-171.3-64.4-178.3-178.1175.30.3113.1
517T32.1Very low30Very low119 Ų119146.1 Ų146.173%0.7372%0.724SS**  cis-176.3-178.6-931.20000110.2
518H31.5Very low30.1Very low147 Ų147146.7 Ų146.768%0.68173%0.726SS**  trans109.2133.9139.3-97.8-45.2000123.8
519K32.3Very low29.8Very low149 Ų149150.1 Ų150.165%0.64874%0.735SS**  trans68.7143152.2-65.2151.2-179.81330116.6
520R30.6Very low29.6Very low205 Ų205142.8 Ų142.877%0.77472%0.72SS**  cis75.1140.535.9-74.3-161.7-178.5-164.66114.2
521F28.9Very low29.7Very low155 Ų155146.9 Ų146.968%0.6874%0.735SS**  cis-165.2174.817.1-125.9169.1000108.7
522D30.1Very low29.7Very low115 Ų115150.1 Ų150.162%0.61574%0.739SS**  cis-170.1177.2-2.9-170.952.6000111.2
523S30.6Very low29.8Very low83 Ų83149.9 Ų149.958%0.5874%0.737SS**  trans75.7128.1153-84.40000120.3
524R31.9Very low29.9Very low208 Ų208154 Ų15479%0.78574%0.739SS**  104.5161.175.2-84.9-178157.5-156.96.6111.6
525E29.6Very low29.9Very low114 Ų114160 Ų16053%0.53375%0.749SS.*  cis-155.5170-6.5-122.2177.1108.600105.7
526R30.6Very low29.9Very low202 Ų202158 Ų15876%0.76274%0.741SS**  cis-171.3-166.41.9-176.4145.9154.8-173.5-6.6108.7
527S31.7Very low29.9Very low96 Ų96154.2 Ų154.267%0.67174%0.739SS**  trans82.4157.2152.5-57.50000116.7
528I30.6Very low29.8Very low154 Ų154155.4 Ų155.479%0.7974%0.735SS**  cis-162.5170.1-10.8-111.9164.9000106.6
529E28.1Very low29.7Very low176 Ų176158 Ų15882%0.82274%0.744SS**  cis171.9144.7-40.3-164.767.5-90.900106.3
530G26.6Very low29.5Very low46 Ų46162.7 Ų162.747%0.47476%0.758SS.*  cis17227.7-4.300000114.6
531H29.5Very low29.5Very low200 Ų200162.2 Ų162.293%0.92676%0.762SS**  trans-85.3161.5-164.1-110-99.8000117.5
532K27.6Very low29.4Very low191 Ų191164.7 Ų164.783%0.8377%0.772SS**  trans-140.5145.8-166.3-55.4168.1-175.4166.10114
533S28.1Very low29.3Very low112 Ų112163.7 Ų163.778%0.78377%0.774SS**  trans-150.9144.614252.30000107.2
534K31.5Very low29.1Very low207 Ų207168.1 Ų168.190%0.979%0.786SS**  cis7099.228.4-83.2-165.3172.9-174.80115.8
535E26.5Very low29Very low195 Ų195162.3 Ų162.391%0.91178%0.777SS**  trans-151.6163.7133.6-162.9137.2-124.500110.6
536R30.2Very low29Very low215 Ų215166.4 Ų166.481%0.81179%0.793SS**  trans-125151.6166.4-71.4172.6166.4171.8-6.7106.6
537D29.5Very low28.8Very low150 Ų150162.5 Ų162.580%0.80280%0.796SS**  -161.1178.6122.9-132.5-38.4000114.5
538H30.9Very low28.9Very low143 Ų143170 Ų17066%0.66281%0.81SS**  trans-118.3176-168.6-63.4-86.6000114.1
539K28.3Very low28.7Very low201 Ų201166.3 Ų166.387%0.87481%0.809SS**  trans76.2122.5163.3-54.1163.2-175165.50114.6
540R27.7Very low28.8Very low248 Ų248169.4 Ų169.494%0.93681%0.813SS**  -148.4135.177.2-129.5169.5178.5160.8-0.8113.1
541K31.2Very low29Very low195 Ų195175.9 Ų175.985%0.84883%0.829SS**  trans-80.1152.5157.6-63.8-178.4178.9-178.30108.5
542K27.1Very low29Very low208 Ų208176.6 Ų176.690%0.90483%0.825SS**  trans-124.7129.9156-163.1174.1-175.4-179.20108.5
543S28.7Very low28.9Very low94 Ų94171.5 Ų171.566%0.65781%0.813SS**  trans-149.3134.1-176.952.50000108.1
544H25.1Very low28.9Very low176 Ų176171 Ų17182%0.81581%0.81SS**  trans-132.2110.6167.8-105.2-94.2000112.1
545S29.8Very low28.7Very low85 Ų85170.4 Ų170.459%0.59481%0.807SS**  trans-45.3166.1143.540.70000113.7
546K29.6Very low28.8Very low200 Ų200167 Ų16787%0.8780%0.804SS**  cis-176.8158.2-3.6-103.9162.9-171.9173.60105.6
547S26.4Very low29.3Very low120 Ų120162.2 Ų162.284%0.83980%0.802SS**  trans-166.7175.5132.6640000111.1
548R33.7Very low29.2Very low255 Ų255161.8 Ų161.896%0.96280%0.804SS**  trans-147.3149.4179.2-78.4176.6165172-6.8109.4
549G26.1Very low29.1Very low75 Ų75161.6 Ų161.677%0.77381%0.807SS**  trans-143.6154.716500000110.8
550R31.5Very low29Very low241 Ų241156.5 Ų156.591%0.90980%0.796SS**  trans-151.7142.8179.4-81.4-178.5163.8-170.3-4.7110
551K30.8Very low28.9Very low183 Ų183153 Ų15380%0.79679%0.79SS**  159.6136.3113.8-90.6-173.9178-176.80113
552Y27.6Very low28.6Very low214 Ų214147.7 Ų147.784%0.83978%0.778SS**  trans63.4158147.1-84-106.6000118.6
553S26Very low28.5Very low85 Ų85143.8 Ų143.859%0.59477%0.772SS**  cis-150.3146.34.5-164.60000113.6
554S28.4Very low28.4Very low101 Ų101149.7 Ų149.771%0.70679%0.786SS**  trans58.8159.3151.574.60000119.6
555K27.7Very low28.4Very low195 Ų195146.4 Ų146.485%0.84878%0.782SS**  cis-130.9159.36.3-66173.9178.6177.10110.9
556S27.7Very low28.2Very low122 Ų122146.5 Ų146.585%0.85378%0.783SS**  trans-92.6145.3171.8-54.20000112.5
557P41.1Very low28.1Very low116 Ų116146 Ų14675%0.75378%0.784SS**  -136.4166.8117.939.1-27.7000111.5
558V28.5Very low28.1Very low141 Ų141144 Ų14486%0.85577%0.774SS**  cis-156.9176.1-11.3122.20000109.7
559I27.5Very low27.8Very low139 Ų139143 Ų14371%0.71377%0.771SS**  trans-95.1165.3178.3-72.1167.7000109.8
560S26Very low27.8Very low93 Ų93150.1 Ų150.165%0.6577%0.774SS**  cis173.2-174.3-29.9-70.80000105.8
561Q27.4Very low27.5Very low175 Ų175141.7 Ų141.782%0.81876%0.763SS**  trans75.8164.8162.4-57.9-176.643.900117.7
562S24.2Very low27.4Very low84 Ų84139.3 Ų139.359%0.58776%0.759SS**  -173.4155.2-66.4470000111.8
563T25.4Very low27.3Very low126 Ų126139 Ų13977%0.77376%0.762SS**  trans52.7121.6154.849.20000120.1
564F25.7Very low27.3Very low218 Ų218139.5 Ų139.596%0.95677%0.765SS**  trans-121.1144.7147.1-79.1-79000110.3
565S24.4Very low27.2Very low106 Ų106144.1 Ų144.174%0.74177%0.773SS**  trans-154117.6173.1-168.80000111.9
566S27.4Very low27.3Very low87 Ų87139.9 Ų139.961%0.60876%0.764SS**  trans47.9116.7142.364.20000121
567H26.6Very low27.2Very low190 Ų190141.4 Ų141.488%0.8876%0.762SS**  -160.9138.8116.4-85.4-59.2000107.8
568A26.7Very low26.6Very low78 Ų78139 Ų13965%0.64576%0.758SS**  cis101.4118.815.300000115.5
569R27.7Very low26.6Very low235 Ų235139.7 Ų139.789%0.88776%0.757SS**  trans166.7158.4155.8-94154.2-167-96.53.4109.9
570R25.8Very low26.8Very low223 Ų223141.5 Ų141.584%0.84276%0.762SS**  cis-173.4156.6-30.3-152.1179.2-169.3-133.15.3109.9
571G25.3Very low26.9Very low65 Ų65141.5 Ų141.567%0.6777%0.767SS**  trans122.6111.7173.700000110.5
572N27.4Very low26.8Very low133 Ų133143.9 Ų143.971%0.71177%0.769SS**  cis69.2103.135.2-63.266000114.8
573F25.6Very low27Very low207 Ų207150 Ų15091%0.90878%0.779SS**  -149.1-171.9106.4-123.7-91.2000110.9
574S27.1Very low27.1Very low96 Ų96150.5 Ų150.567%0.67178%0.777SS**  trans-153.2174.4-163.3-520000112.5
575K26.6Very low27.4Very low197 Ų197144.7 Ų144.786%0.85776%0.764SS**  trans91.2150.3-178.3-62.8-172.2173.3-174.70114.1
576T28.3Very low27.6Very low107 Ų107146.3 Ų146.366%0.65676%0.764SS**  cis-149.7172-3.30.30000110.7
577D26.5Very low27.6Very low153 Ų153151 Ų15182%0.81878%0.776SS**  trans14.7146.1148.1-44.1-32.8000120.6
578G27.6Very low27.7Very low66 Ų66148.1 Ų148.168%0.6878%0.777SS**  cis144.1172.34.300000112.4
579L30.3Very low27.8Very low156 Ų156153.7 Ų153.782%0.81778%0.783SS**  trans83.6157.6168.7-52.4175.5000120.6
580H30Very low27.9Very low177 Ų177151.4 Ų151.482%0.81978%0.782SS**  trans63.384.3163.7-58.2-53000121.1
581A28.2Very low28Very low93 Ų93144.7 Ų144.777%0.76977%0.769SS**  trans-79.6155.2147.900000111.8
582R26.4Very low28.2Very low224 Ų224152.1 Ų152.185%0.84578%0.778SS**  -176.5150.7120.6-107.7-179.5178.6-155.9-1.6115.3
583R27.6Very low28.5Very low212 Ų212149.5 Ų149.580%0.877%0.767SS**  trans68.4153.7158.4-73.8-178.5162170.7-6.4119
584D28.8Very low28.8Very low137 Ų137148.3 Ų148.373%0.73376%0.764SS**  cis177.3164.4-43.2-102.3-43.3000107.7
585S30.2Very low29Very low97 Ų97152.2 Ų152.268%0.67877%0.765SS**  trans67.7142162.9-75.30000118.2
586D28.6Very low29.2Very low140 Ų140153.2 Ų153.275%0.74976%0.764SS**  cis-145147.7-8.1-94.3-28.1000111.2
587H28Very low29.3Very low186 Ų186158.4 Ų158.486%0.86177%0.771SS**  trans-129.6111.8167.7-849.2000110.3
588S29.1Very low29.8Very low128 Ų128157.6 Ų157.690%0.89576%0.762SS**  trans-66135.5-177.8-175.30000112.3
589Y29Very low30Very low196 Ų196165.5 Ų165.577%0.76977%0.772SS**  trans-116.8112-167.5-150.9-76.8000111.7
590Q30.2Very low30.3Very low187 Ų187165.2 Ų165.287%0.87477%0.771SS**PPolyproline II helixtrans-89.2119.8175.8-73.8-172.5-1000111.5
591S26.5Very low30.5Very low81 Ų81160.3 Ų160.357%0.56677%0.768SS**PPolyproline II helixtrans-102.3128.4178640000112.8
592Y31Very low31.5Very low222 Ų222162.2 Ų162.287%0.87178%0.776SS**PPolyproline II helixtrans-82134.6167.2-104.2-94.6000111.8
593T32Very low32Very low77 Ų77156.6 Ų156.647%0.47277%0.766SS.*  trans-117.9132.7170.947.60000110.4
594H31.8Very low32.3Very low183 Ų183150 Ų15085%0.84775%0.753SS**  trans-107.4128.6174.3-98.6-79.1000110.6
595Y31.3Very low32.5Very low178 Ų178151.3 Ų151.370%0.69875%0.754SS**  trans-99.8134.5169.2-65.6-88.5000110.1
596R31.3Very low32.7Very low218 Ų218155.8 Ų155.882%0.82376%0.757SS**  trans-116.2127.2171.9-162.5-174.7-158.1-154.710.1108.6E598R596-E598 IonicContact CZ-OE1 3.69Å; R596-E598 IonicContact NE-OE1 3.59Å; R596-E598 IonicContact NH1-OE1 3.58Å; R596-E598 PolarHBondContact NH1-OE1 2.85Å
597R31.2Very low33.1Very low216 Ų216155.5 Ų155.582%0.81576%0.761SS**  trans-112.6109.9178.2-169.9-175.5-166.6-1757.7109.7
598E35.7Very low33.2Very low135 Ų135153.8 Ų153.863%0.63175%0.753SS**  trans-104.5153.2166.9-73.1179.1-143.900109.8R596R596-E598 IonicContact CZ-OE1 3.69Å; R596-E598 IonicContact NE-OE1 3.59Å; R596-E598 IonicContact NH1-OE1 3.58Å; R596-E598 PolarHBondContact NH1-OE1 2.85Å
599R33.6Very low33.3Very low233 Ų233158.7 Ų158.788%0.87975%0.752SS**  trans-134.178.5-169.4-168.2-170.5-171.3-176.43.9111.4
600N35.2Very low33.3Very low150 Ų150157.5 Ų157.580%0.80275%0.746SS**  trans-90.5171.1157.5-75-9.5000110
601G35.8Very low33.4Very low73 Ų73152.7 Ų152.775%0.75373%0.733SS**SBendtrans-65.5144.2-165.900000115.7V603G601-V603 VanDerWaalsContact C-N 3.31Å; G601-V603 PolarHBondContact O-N 3.28Å
602S48.3Very low33.6Very low133 Ų133156.8 Ų156.893%0.9374%0.738SS**SBendtrans62.3-16161.9-146.90000121.4
603V36.8Very low33.5Very low106 Ų106156.8 Ų156.864%0.64274%0.738SS**  trans-137.2137.8174.8-171.60000111.5G601G601-V603 VanDerWaalsContact C-N 3.31Å; G601-V603 PolarHBondContact O-N 3.28Å
604S33.3Very low33.2Very low75 Ų75163.1 Ų163.152%0.52475%0.754SS.*  trans-116.293.7-179.8178.80000111
605H34.6Very low32.9Very low163 Ų163160.1 Ų160.176%0.75575%0.754SS**  trans-82.9136.3172.2-74.9-85.8000111.9
606Y33Very low32.7Very low191 Ų191156 Ų15675%0.74975%0.751SS**  trans-97.8131.5166.5-68.7-85.7000109.7
607T37.3Very low32.6Very low135 Ų135154 Ų15483%0.82875%0.751SS**  trans-130.7124.3170.452.70000109.9
608Q30.8Very low32.4Very low149 Ų149153.2 Ų153.270%0.69675%0.754SS**  trans-97.5116.8-179.9-171.9-179.519.200109.1
609R30.4Very low32Very low232 Ų232156.9 Ų156.988%0.87576%0.763SS**  trans-113.5113.7177-158.1172.8-166.7-101.11.8110.1
610R29.3Very low31.7Very low170 Ų170150.4 Ų150.464%0.64275%0.753SS**  trans-105.2121.9-177.4-166.3170.1179.4165.7-1.9108.2Y612R610-Y612 HydrophobicContact CG-CE2 4.47Å; R610-Y612 VanDerWaalsContact CZ-OH 3.31Å; R610-Y612 PolarHBondContact NE-OH 3.2Å; R610-Y612 PolarHBondContact NH2-OH 3.04Å
611S31.4Very low31.3Very low86 Ų86151.8 Ų151.860%0.60176%0.755SS**  trans-134.6118.3-176.655.90000110.9
612Y30.7Very low30.9Very low168 Ų168153 Ų15366%0.65975%0.752SS**  trans-92.8132.8174-58-72.4000109.7R610R610-Y612 HydrophobicContact CG-CE2 4.47Å; R610-Y612 VanDerWaalsContact CZ-OH 3.31Å; R610-Y612 PolarHBondContact NE-OH 3.2Å; R610-Y612 PolarHBondContact NH2-OH 3.04Å
613Y29.1Very low29.9Very low221 Ų221157.1 Ų157.187%0.86775%0.753SS**  trans-104124167-95.5-87.3000108.7
614Y26.9Very low29.5Very low210 Ų210157.3 Ų157.382%0.82476%0.759SS**  trans-105.7126.2176.8-164.3-108.1000108.5S616Y614-S616 WeakPolarHBondContact CE1-OG 3.45Å
615S25.5Very low29.2Very low120 Ų120165.8 Ų165.884%0.83978%0.779SS**  trans-120.398.3178.6-73.80000109.6
616S27.5Very low28.9Very low92 Ų92163.2 Ų163.264%0.64378%0.78SS**  trans-107.7140.4169.4-65.10000110.4Y614Y614-S616 WeakPolarHBondContact CE1-OG 3.45Å
617H28.1Very low28.5Very low175 Ų175165.6 Ų165.681%0.8179%0.787SS**  trans-133.3115.6-174.1-155.6-43.4000108.3
618K28.1Very low27.9Very low201 Ų201164.2 Ų164.287%0.87478%0.783SS**  trans-170.9157.5154-109.4162-173-176.80112.8
619Y26.1Very low27.7Very low211 Ų211168.1 Ų168.183%0.82779%0.792SS**  trans-65.3169.8172-70.5-103.9000110.8
620S27.5Very low27.7Very low97 Ų97163.7 Ų163.768%0.67879%0.785SS**  cis-161-176.719.5-147.70000114.4
621H26Very low27.6Very low180 Ų180160.8 Ų160.883%0.83379%0.791SS**  trans92.3158.5151-91-35000122.5
622S27.3Very low28.5Very low99 Ų99161.3 Ų161.369%0.69279%0.793SS**  trans-164.1127-154.747.80000111.5
623K28.7Very low28.5Very low218 Ų218160.3 Ų160.395%0.94879%0.794SS**  trans-168.8152.7143.5-112.6160.8-174.6169.30111.4
624S28.5Very low28.6Very low110 Ų110160.2 Ų160.277%0.76979%0.792SS**  trans-104.8152.8-179.748.30000111.4
625R26.5Very low28.8Very low254 Ų254160.6 Ų160.696%0.95879%0.792SS**  trans-161.4150.8153.3-112.9165.5-174177.80.8110.5
626S27.8Very low29.1Very low109 Ų109160.7 Ų160.776%0.76278%0.783SS**  trans-127.1133.6-172.1-37.90000110.7
627R25.6Very low29.1Very low240 Ų240158.6 Ų158.691%0.90678%0.776SS**  trans169118.7157.5-93149.2-169.2-159.52.3105.5
628S24.5Very low29.3Very low107 Ų107162.3 Ų162.375%0.74878%0.783SS**  97.4130.759.9-74.30000110.6
629R27Very low29.4Very low230 Ų230163.7 Ų163.787%0.86878%0.783SS**  trans71.4145.3175.8-69.5-172.8180159.7-0.8115.5
630D29.1Very low29.6Very low139 Ų139158.4 Ų158.474%0.74378%0.776SS**  cis-139.8170.6-1.1-103.5-35.7000113.3
631S27.5Very low29.7Very low109 Ų109164.6 Ų164.676%0.76279%0.785SS**  trans-112-160.5172.5-540000108.4
632P49.6Very low29.9Very low98 Ų98160.2 Ų160.264%0.63677%0.774SS**  cis-139.8-150.1-4.342.7-21.3000113.8
633H31Very low30Very low147 Ų147167 Ų16768%0.68179%0.785SS**  trans99.3126165.8-63.4-49000116.1
634R30.9Very low30Very low219 Ų219160.5 Ų160.583%0.82677%0.772SS**  cis-147174.8-4-42.7178.5-164.7-110.3-6.5106.3
635R31.7Very low30Very low217 Ų217164.4 Ų164.482%0.81978%0.775SS**  cis-164.9163.8-1.9-142.3-170.8138.3161.7-3.4104.7
636D31.2Very low30.1Very low123 Ų123157.4 Ų157.466%0.65877%0.765SS**  cis-140.9-143.5-4.8-151.5-16000105.6
637G27.5Very low30.1Very low48 Ų48156.7 Ų156.750%0.49576%0.76SS.*  cis163.9128.4-11.100000114.2
638R33.2Very low30.1Very low253 Ų253150.5 Ų150.596%0.95575%0.754SS**  trans68.7152.6171-51.1179.3-173-120.8-0.1117.7
639R30.1Very low30.1Very low230 Ų230150.6 Ų150.687%0.86875%0.753SS**  cis-167.6148.5-40.4-152.9-174.7-170.7-172.54108.8
640S30.8Very low30.1Very low99 Ų99144.5 Ų144.569%0.69275%0.746SS**  trans68.6161.3159.2-62.10000119.1
641R29.2Very low29.9Very low227 Ų227143.2 Ų143.286%0.85775%0.748SS**  cis-166.7128.5-47.1-134.7175.7-173.1167.80.2110.8
642S29.6Very low29.8Very low88 Ų88143.5 Ų143.562%0.61575%0.75SS**  trans53.9138.5145.361.90000124.3
643R29.7Very low30Very low241 Ų241144.4 Ų144.491%0.90976%0.755SS**  trans75.4152.9145.5-74.2166.6-179.4168.3-2.4117.7
644A28.2Very low29.8Very low82 Ų82144.2 Ų144.268%0.67876%0.755SS**  cis-160.4161.6-500000114
645F28.6Very low29.8Very low193 Ų193143.4 Ų143.485%0.84675%0.752SS**  trans30.6142.1147.2-78.8-87.5000124.7
646S28.5Very low29.8Very low107 Ų107141.8 Ų141.875%0.74875%0.751SS**  trans68.5167.3145.3-65.60000118.6
647S27.8Very low29.9Very low94 Ų94140.5 Ų140.566%0.65775%0.752SS**  cis-169.8146.5-38580000110.5
648S27.4Very low30.5Very low109 Ų109145.9 Ų145.976%0.76276%0.763SS**  trans71.8158.7153.5-54.90000121.6
649C24.2Very low30.8Very low109 Ų109141 Ų14174%0.73675%0.751SS**  trans47.6101.6148.761.90000123.3
650S25.9Very low31.2Very low103 Ų103135.2 Ų135.272%0.7274%0.737SS**  36.9116.4119.561.60000123.1
651S25.2Very low31.7Very low111 Ų111138.3 Ų138.378%0.77674%0.738SS**  62.1122.2122.2-50.10000123.2
652S25.6Very low32.6Very low116 Ų116133.5 Ų133.581%0.81174%0.736SS**  trans71.9165.2146.1-71.30000119.1
653P53.4Low33Very low116 Ų116133.2 Ų133.275%0.75375%0.748SS**  cis-139-175.6-33.637.7-20000114.7
654E28.1Very low33.2Very low143 Ų143125.2 Ų125.267%0.66874%0.74SS**  trans68.5112.7149.2-144.6-165.5-117.100120.1
655R30.6Very low33.8Very low203 Ų203130.2 Ų130.277%0.76675%0.747SS**  -178.6152.6103.5-95175.4-171.4-146-10.2116.7
656K30.8Very low34.5Very low183 Ų183131.4 Ų131.480%0.79675%0.746SS**  trans-15.4153.3158.9-67.2175-177.8179.80118.9
657S33.7Very low34.9Very low96 Ų96134.9 Ų134.967%0.67175%0.747SS**  cis-177.7150.8-9.1520000115
658H39.1Very low35.1Very low161 Ų161140.7 Ų140.775%0.74576%0.756SS**  trans81.6150.1138.4-110.4-111.6000123
659H40.3Very low35.1Very low150 Ų150145.3 Ų145.369%0.69476%0.763SS**  trans68.4140.8176.4-65.9-75.8000117.5
660D39.3Very low35.4Very low109 Ų109144.4 Ų144.458%0.58376%0.763SS**  cis-135.2177.714.3-135.4-9.7000117.7
661K40.6Very low35.6Very low163 Ų163148.6 Ų148.671%0.70977%0.768SS**  trans-48.9177.5-174.5-55.1134.5-170.31230117.4
662P48.1Very low35.7Very low126 Ų126150.5 Ų150.582%0.81877%0.765SS**  cis-122.2159.8-41.530.9-14000111
663G37.6Very low36Very low83 Ų83152.3 Ų152.386%0.85676%0.764SS**  cis98.9123.248.100000109.9
664G34Very low34.9Very low73 Ų73151 Ų15175%0.75376%0.764SS**  cis-165.2-162.1-5.500000108.1
665K41.7Very low34.9Very low187 Ų187152.8 Ų152.881%0.81377%0.772SS**  cis174.5151.3-3.1-123.7174.1-177.4166.90106.2
666R42.6Very low35.7Very low217 Ų217148.4 Ų148.482%0.81977%0.769SS**  trans80.2135.8147.8-69.9173.3169.5-175.3-2.7123.2
667K38Very low35.7Very low181 Ų181143.1 Ų143.179%0.78776%0.756SS**  trans35.8114.7132.1-62.6-169174.3-175.10121.7
668Y30.6Very low35.7Very low216 Ų216147.5 Ų147.585%0.84776%0.763SS**  54.5139.5120.8-73.9-81.2000123.5
669K28.5Very low35.1Very low205 Ų205145.7 Ų145.789%0.89176%0.759SS**  trans82.1149.8148.7-84.7-176.8176.7-179.90119.4
670A29.1Very low34.7Very low90 Ų90143.3 Ų143.374%0.74476%0.755SS**  trans91.6114.1153.200000120.9
671K30.3Very low34.3Very low192 Ų192146 Ų14684%0.83576%0.764SS**  trans45.1130.8130.7-60.6-176.4179.8-1800122.2
672H27.9Very low33.7Very low151 Ų151143.1 Ų143.170%0.69976%0.764SS**  94.6119.4129.5-97.9-130.4000122.1
673L32.6Very low32.8Very low154 Ų154140.1 Ų140.181%0.80676%0.756SS**  trans77.5161.3138.2-76.2173.4000121
674A28.4Very low32.4Very low89 Ų89144.7 Ų144.774%0.73676%0.755SS**  trans73.277.8161.500000118.3
675E28.1Very low32.2Very low179 Ų179146 Ų14684%0.83675%0.753SS**  -35.6152.6113.9-97.8-173.4-113.300112.2
676P47.3Very low31.6Very low111 Ų111143 Ų14372%0.72175%0.746SS**  cis-146-162.646.844.6-23.7000111.7
677S32.2Very low30.9Very low73 Ų73137.3 Ų137.351%0.5174%0.739SS.*  cis-165.4152.6-5.711.40000109.6
678K32.6Very low30.4Very low188 Ų188135.6 Ų135.682%0.81774%0.735SS**  trans64.3168.1142.6-65163.7-163.9170.60115.4
679N28.2Very low30.2Very low123 Ų123131 Ų13166%0.65873%0.734SS**  cis-136.2142.3-6.4-125.27.9000105.8
680T30.8Very low30.3Very low99 Ų99127.6 Ų127.661%0.60773%0.726SS**  69.6140.482-55.90000111.2
681Q31.3Very low30.2Very low166 Ų166128.4 Ų128.478%0.77672%0.721SS**  cis-143.8138.528.6-131130.4-3.400107.8
682S26.8Very low30.2Very low103 Ų103127.4 Ų127.472%0.7272%0.717SS**  100.4171.175.471.40000113.9
683G30.6Very low30.3Very low62 Ų62127.8 Ų127.864%0.63972%0.719SS**  trans91.894.4-175.500000110.9
684Q29Very low30.2Very low180 Ų180130.5 Ų130.584%0.84172%0.724SS**  cis59.6134.537.6-58.8177-43.500112.5
685S29.8Very low30.2Very low100 Ų100134.3 Ų134.370%0.69972%0.724SS**  cis-138.7142.816.450.50000115.2
686D27.7Very low30.4Very low125 Ų125131.5 Ų131.567%0.66872%0.719SS**  trans34.9117.6131.1-58.4-70.6000120.3
687S28.6Very low29.4Very low96 Ų96131.5 Ų131.567%0.67172%0.722SS**  95.1161.682.689.50000112
688M28.8Very low29.3Very low145 Ų145136.3 Ų136.371%0.71473%0.733SS**  cis-134.3156.96-102.1-65.2155.800110L690M688-L690 HydrophobicContact SD-CD2 4.16Å; M688-L690 HydrophobicContact SD-CG 4.37Å
689S25.9Very low29.1Very low119 Ų119135 Ų13583%0.83273%0.73SS**  trans-144.2121.4141.658.90000109.6
690L29.2Very low29.3Very low135 Ų135136.5 Ų136.571%0.70773%0.731SS**  trans-84.1134.3-171.8-75.3166.6000111.4M688M688-L690 HydrophobicContact SD-CD2 4.16Å; M688-L690 HydrophobicContact SD-CG 4.37Å
691T28.7Very low29.3Very low106 Ų106138 Ų13865%0.6573%0.731SS**  25.6152.712681.30000120.1
692K29.3Very low29.3Very low172 Ų172137.8 Ų137.875%0.74873%0.729SS**  cis-163.4140.121.5-142.2156.2-175.3174.80112.5
693H30.1Very low29.7Very low159 Ų159142.5 Ų142.574%0.73674%0.737SS**  trans26.9133.1140.1-64.6-124.1000121.8
694K29.9Very low29.6Very low210 Ų210151.3 Ų151.391%0.91375%0.751SS**  trans-106.7121.7143-174.4172.1-177.2171.90109.3
695K29.7Very low29.6Very low170 Ų170147.2 Ų147.274%0.73974%0.742SS**  trans-150112172.5-105.8-155.4168.8-177.70110.3
696T30.9Very low29.7Very low120 Ų120152.2 Ų152.274%0.73675%0.751SS**  70.2108.89165.30000117
697S26.9Very low29.7Very low111 Ų111153 Ų15378%0.77675%0.751SS**  trans-161.8156.5152.753.20000106.4
698K29.8Very low29.7Very low173 Ų173158.5 Ų158.575%0.75276%0.757SS**  cis-135-175.6-28.1-96160.4-175.8173.80104.3
699E29.5Very low29.7Very low160 Ų160157.4 Ų157.475%0.74876%0.764SS**  cis-160.8138.229.8-141.7136.6-178.500106.2
700K32.5Very low30Very low156 Ų156162.2 Ų162.268%0.67876%0.764SS**  54.7138.270.4-58.6-168.2150.4-1600114.3
701H30.8Very low30Very low129 Ų129167.5 Ų167.560%0.59777%0.774SS**  cis-167.4165-11-116.4-38.4000114.1
702H30.3Very low29.8Very low162 Ų162173.9 Ų173.975%0.7579%0.786SS**  trans66.4133.9145.6-70.4-54.6000123.5
703K36.6Very low29.8Very low203 Ų203171.3 Ų171.388%0.88379%0.79SS**  trans-83.4155.2153.1-56.5174.6177.1-179.60110.4
704R26.9Very low29.8Very low247 Ų247175.1 Ų175.193%0.93280%0.798SS**  trans-150.2163.1137.3-155.7163.1-179.6-172.7-1.2111.9
705S30.3Very low30.2Very low94 Ų94170.8 Ų170.866%0.65779%0.794SS**  trans-95.9160.2-168.854.30000115.2
706K30.7Very low30.2Very low204 Ų204166 Ų16689%0.88779%0.792SS**  -166.3140.8121-113.9179.6177.9-1740117.1
707E28.6Very low30.2Very low142 Ų142165.6 Ų165.666%0.66480%0.795SS**  trans3.5133.7147.3-144.963.3-150.800123.2
708R28.4Very low30.5Very low211 Ų211166 Ų16680%0.79679%0.792SS**  trans23133.4146.6-60170.6171.5171.1-3.3122.6
709S29.8Very low30.4Very low122 Ų122165.9 Ų165.985%0.85380%0.795SS**  -145.3-178.5126.284.10000110.9
710R31.1Very low30.4Very low221 Ų221163.7 Ų163.783%0.83479%0.792SS**  trans-138.3137.5-170.2-62.8173174.7142.4-10.8113.8
711R28.3Very low30.3Very low245 Ų245162.8 Ų162.893%0.92580%0.799SS**  trans-176.6134.7141.3-93.2144.3-164.5-120.73.2107
712R26.3Very low30.1Very low241 Ų241160 Ų16091%0.90981%0.805SS**  46.8130.385-92.1-171.5175.4-174.1-1.8112.7
713S28.8Very low30Very low117 Ų117161.4 Ų161.482%0.81881%0.812SS**  cis-131.5175.123.7-67.60000114.6
714R29Very low29.7Very low240 Ų240161.8 Ų161.891%0.90681%0.808SS**  trans-129.9155.9178.5-164.7174.3-172.61611109
715S39.7Very low29.8Very low118 Ų118156 Ų15683%0.82579%0.792SS**  trans-57.6153.2179.752.90000115.1
716G29.9Very low30Very low69 Ų69158.8 Ų158.871%0.71179%0.791SS**  trans179.3173173.700000111
717S29.2Very low30Very low113 Ų113157.9 Ų157.979%0.7979%0.79SS**  cis-162.8164.8-2.2-76.70000108.9
718T34.1Very low30.2Very low118 Ų118159.8 Ų159.872%0.72480%0.799SS**  cis-111.2-95.4-1.3-48.30000112V720T718-V720 HydrophobicContact CG2-CG2 3.83Å
719E27.9Very low30.3Very low172 Ų172157.2 Ų157.280%0.80480%0.795SS**  cis-143.8151.8-11.6-82.5-179.7117.600106.9
720V30.3Very low30.5Very low114 Ų114160.5 Ų160.569%0.69179%0.794SS**  cis108.1117.621.2172.80000111T718T718-V720 HydrophobicContact CG2-CG2 3.83Å
721V28.5Very low30.7Very low137 Ų137159.5 Ų159.583%0.8380%0.796SS**  cis-155154.7-17.21300000106.5
722G28Very low31.1Very low70 Ų70157 Ų15772%0.72279%0.792SS**  trans-179.456.7179.100000120.5
723E27.2Very low31.5Very low191 Ų191152.8 Ų152.889%0.89378%0.78SS**  trans56.9-172151.8-64.9-123.891.900121.2
724R29.9Very low31.8Very low212 Ų212156.2 Ų156.280%0.878%0.783SS**  trans-135.8168.8-165.6-61.5173.5170.6-177.70.4108.6
725H30.8Very low32Very low126 Ų126153.8 Ų153.858%0.58378%0.779SS**  cis-160.9146.420.5-127.4-9.9000112.8
726K32.8Very low31.7Very low151 Ų151156.7 Ų156.766%0.65778%0.776SS**  trans55.989.6142-69.6164.1178.5158.90122
727H32Very low31.7Very low185 Ų185162.3 Ų162.386%0.85678%0.781SS**  48.2117.4121.7-56.1-57.7000122.9
728H31.2Very low31.5Very low182 Ų182160.9 Ų160.984%0.84377%0.771SS**  trans-113.8-165.8156.3-99.9-61.2000112.9
729H32Very low31.5Very low157 Ų157164.6 Ų164.673%0.72778%0.777SS**  trans-89.6161.1-152.2-66.1-64.8000119.1
730K33.3Very low31.6Very low191 Ų191164.8 Ų164.883%0.8378%0.775SS**  trans45120.9141.2-70.1172.5179.6173.40120.6
731K34.8Very low31.6Very low200 Ų200164.4 Ų164.487%0.8778%0.778SS**  9.4124.8127.1-65.4178.7178.3178.20115.3
732K36.8Very low31.8Very low192 Ų192166 Ų16684%0.83577%0.774SS**  -174132.562.6-118.2169.5-178.2-179.20112.6
733K35.8Very low31.8Very low154 Ų154166.6 Ų166.667%0.6777%0.767SS**  46.9106.7123.9-159.3-166.4-174.3-166.30120.2
734H33.9Very low32Very low189 Ų189161 Ų16188%0.87575%0.749SS**  174.8142.3110.7-96-64.9000119
735K34.3Very low32.2Very low188 Ų188158.5 Ų158.582%0.81775%0.746SS**  trans-37.1129.6165.9178-172-172.9178.70120.5
736K32.3Very low32.4Very low179 Ų179159.2 Ų159.278%0.77875%0.75SS**  170.2142.5128.2-104.1178.5178.6172.80115.1
737K29.8Very low32.6Very low188 Ų188159.9 Ų159.982%0.81775%0.753SS**  trans51.2163.6143.9-73.4-169.7175.8-173.20120.2
738S26.8Very low32.7Very low82 Ų82155.2 Ų155.257%0.57375%0.746SS**  cis179.7166.2-29.561.20000109.7
739K32.3Very low32.8Very low196 Ų196156.1 Ų156.185%0.85275%0.748SS**  trans73.1155.4163.7-68.2178.8178.9-176.70115.9
740K30.1Very low32.7Very low176 Ų176154.6 Ų154.677%0.76576%0.755SS**  cis-172.5141.2-12.1157.8-175.8169.9-1740112.2
741S30.2Very low32.8Very low107 Ų107150.7 Ų150.775%0.74875%0.751SS**  trans61.3175.6160.772.80000117.9
742K33Very low33.5Very low169 Ų169146.2 Ų146.274%0.73574%0.743SS**  cis-157.6156.53.7-170.5-92.4-178.3-163.10107.3S744K742-S744 PolarHBondContact NZ-OG 2.86Å
743S29.5Very low33Very low84 Ų84145 Ų14559%0.58775%0.746SS**  cis-176.3-164.6-41.172.70000107.6
744S30.8Very low32.8Very low74 Ų74143 Ų14352%0.51775%0.746SS.*  trans70.7145.5159.8280000117.7K742K742-S744 PolarHBondContact NZ-OG 2.86Å
745E33.2Very low32.6Very low158 Ų158141.2 Ų141.274%0.73874%0.741SS**  cis-161.7155.23-130.316217400114.7
746H36.4Very low32.4Very low141 Ų141137.3 Ų137.365%0.65373%0.733SS**  trans61.6149.6146.2-86.8-2.5000121.7
747K36.9Very low33Very low165 Ų165136 Ų13672%0.71773%0.734SS**  cis-162.2154.9-5.3-148.3165.3-174.1151.40112
748A33.8Very low32.8Very low88 Ų88136.3 Ų136.373%0.72774%0.738SS**  trans67.4151.9159.300000118.1
749K33.5Very low33.2Very low201 Ų201136.9 Ų136.987%0.87474%0.742SS**  cis-155.3169.86-133.6166.2-173.2-178.70111
750S29.4Very low33Very low125 Ų125135.2 Ų135.287%0.87474%0.742SS**  trans82.4150.7178.9-150.30000116.5
751S35.7Very low33.1Very low108 Ų108134.5 Ų134.576%0.75575%0.747SS**  trans-129.6159.4-154-64.10000114.5
752P48.8Very low33.1Very low106 Ų106138.4 Ų138.469%0.68875%0.753SS**  trans-100.5-169.9-173.741.7-37.5000113.2V754P752-V754 HydrophobicContact CB-CG2 4.5Å; P752-V754 HydrophobicContact CG-CG2 3.92Å
753N26.4Very low32.9Very low167 Ų167134.4 Ų134.489%0.89375%0.746SS**  trans-128.9126162.5-124.31.5000110.8
754V31.2Very low33.1Very low112 Ų112140.2 Ų140.268%0.67976%0.762SS**  trans-165.8168.6-168.1-86.90000107.3P752P752-V754 HydrophobicContact CB-CG2 4.5Å; P752-V754 HydrophobicContact CG-CG2 3.92Å
755I30.7Very low33.2Very low152 Ų152141.1 Ų141.178%0.77977%0.773SS**  cis-134.2-7122.6-31174.9000113.4
756T30.3Very low33.2Very low106 Ų106141.5 Ų141.565%0.6578%0.78SS**  trans-166.3150.7-159.136.70000111.4
757I45Very low33Very low152 Ų152145.9 Ų145.978%0.77979%0.791SS**  trans34.3127.5130.9-46.6165000118.3
758E25.7Very low32.6Very low193 Ų193142.7 Ų142.790%0.90279%0.79SS**  trans-144.2168.4148.1-143.7152.3-130.800109.8
759S34.7Very low32.6Very low95 Ų95146.3 Ų146.366%0.66480%0.795SS**  trans-103.3163.1-179.6-610000111.4
760D28.4Very low32.6Very low161 Ų161142.4 Ų142.486%0.86179%0.788SS**  150.4165.9127.1-76.5-14.1000113.9
761N31.8Very low33.7Very low161 Ų161142.4 Ų142.486%0.86179%0.785SS**  trans-70.4145.6173.6-76.6-37.8000111.1
762E29.6Very low33.7Very low189 Ų189142.7 Ų142.788%0.88378%0.782SS**  -163.5171.2109.3-114.6-176.5-174.100114.2
763S29.7Very low33.1Very low84 Ų84142.9 Ų142.959%0.58779%0.786SS**  trans-64.7153.3-172.457.10000115.4
764F33.3Very low33.7Very low207 Ų207144.9 Ų144.991%0.90878%0.781SS**  -158.7146.9104.3-112.3-76.8000111.7
765A32.5Very low33.9Very low92 Ų92144.9 Ų144.976%0.7678%0.781SS**  trans-98.2156.5-169.200000113.7
766N33.8Very low34.1Very low166 Ų166141.1 Ų141.189%0.88877%0.773SS**  trans-109.9144162.2-116.3-28.1000111.1
767R31.6Very low34.2Very low234 Ų234143.9 Ų143.988%0.88378%0.779SS**  trans-72.4161.4-178.8-70.2172.5177.2172.6-3.1111.5
768S29Very low33.8Very low98 Ų98144.5 Ų144.569%0.68578%0.778SS**  cis-179.9152-15.351.40000109.5
769I33.3Very low34.1Very low164 Ų164141.5 Ų141.584%0.84177%0.773SS**  174.5144.3129.6-90.4154.5000109
770T33.8Very low34.1Very low118 Ų118145.3 Ų145.372%0.72478%0.778SS**  trans-129.3162.3177.560.90000109.7
771P52.9Low34.6Very low125 Ų125143.6 Ų143.681%0.81277%0.767SS**  -133.9-167.482.912.711.8000113.2
772V35Very low34.8Very low115 Ų115141.6 Ų141.670%0.69776%0.756SS**  -164.4127.4-59.41360000109.3
773S36.7Very low35.3Very low109 Ų109138.9 Ų138.976%0.76275%0.748SS**  trans61.3147.3159.7-62.50000120.3
774R38.9Very low35.7Very low210 Ų210139.4 Ų139.479%0.79276%0.758SS**  cis-149.9-167.3-2.4-134.8173.1147.8-164.3-7.6106.9
775T35.8Very low36Very low111 Ų111134.1 Ų134.168%0.68175%0.752SS**  cis-163.1169.110.3-40000106.1
776A34.7Very low36.2Very low74 Ų74137.5 Ų137.561%0.61276%0.757SS**  cis-146.2-91.8-5.900000110.9
777E32.1Very low36.3Very low164 Ų164133.1 Ų133.177%0.76675%0.751SS**  trans-153.9157.9-158.8-79.5135.5-13500110.7
778H37.5Very low36.4Very low165 Ų165126 Ų12676%0.76475%0.75SS**  cis117.2119.15.8-103.7-83.5000114.9
779T31.8Very low36.7Very low130 Ų130130.2 Ų130.280%0.79876%0.759SS**  trans-179.7125.7137.119.80000109.2
780F33.6Very low36.9Very low174 Ų174129.4 Ų129.476%0.76376%0.757SS**  67.6136.889-85.4-121.6000115.4
781I39.3Very low38.4Very low125 Ų125129 Ų12964%0.64176%0.756SS**  cis-165.7161.7-13.2-146.9-170.4000111.9
782D36.8Very low37.5Very low119 Ų119127.2 Ų127.264%0.63675%0.752SS**  trans73.7134.2150.3-82.714.5000128
783N38.6Very low37.5Very low132 Ų132127.5 Ų127.571%0.70675%0.754SS**  trans82.891.3131.3-67.1-28.9000125.4
784A39.7Very low37.6Very low96 Ų96128.3 Ų128.379%0.79375%0.754SS**  90.4157.298.600000123.7
785A38.8Very low37.5Very low95 Ų95124 Ų12479%0.78575%0.747SS**  trans9086154.500000121.8
786D37.2Very low37.6Very low164 Ų164126.7 Ų126.788%0.87775%0.752SS**  63.9113.9110.7-15829.3000123.2
787G35.8Very low37.8Very low73 Ų73127.3 Ų127.375%0.75376%0.757SS**  70.4132.3115.700000122.8
788G33.6Very low38.2Very low84 Ų84124.5 Ų124.587%0.86676%0.755SS**  trans167.2123.4161.300000116.9
789E35.8Very low38.6Very low188 Ų188124.9 Ų124.988%0.87976%0.758SS**  trans-92.4126.1-174.2-71.1-173.8125.600116.2
790N37.2Very low39.4Very low146 Ų146123.5 Ų123.578%0.78175%0.753SS**  73.9-172.8127.4-132.6-9.3000118
791P65.7Low39.9Very low109 Ų109127.1 Ų127.171%0.70877%0.772SS**  -126.9-170.2-110.744.1-29.2000117.6
792A33.7Very low40Very low88 Ų88127.2 Ų127.273%0.72778%0.778SS**  trans104.9149.6172.200000115.2
793T35.4Very low40.1Very low122 Ų122127.6 Ų127.675%0.74879%0.786SS**  cis-170.3146.4-10.421.10000110.6
794V37.9Very low40.2Very low126 Ų126127.4 Ų127.476%0.76479%0.79SS**  trans62.7129.6147.8176.10000116.9
795D35.8Very low40.2Very low120 Ų120129.2 Ų129.264%0.64279%0.79SS**  -170.3168.866.6-144.6-25000115.1
796Q38.7Very low40.3Very low166 Ų166131.4 Ų131.478%0.77679%0.79SS**  trans31.7133.2152.3-84.7161.784.900121.4
797A39.1Very low40.6Very low88 Ų88129.2 Ų129.273%0.72779%0.785SS**  cis180171.947.800000114.8
798S40.6Very low40.9Very low104 Ų104133.2 Ų133.273%0.72779%0.787SS**  trans80.4115.6146.2-66.40000124.5
799Q46.5Very low41.5Very low174 Ų174137 Ų13781%0.81378%0.781SS**  trans79.5122.1130.1-68.2-178.2-3.200123
800S46.7Very low41.9Very low101 Ų101132.8 Ų132.871%0.70677%0.773SS**  trans43.8143.4142.255.30000121.6
801H45.8Very low42.4Very low249 Ų249131.5 Ų131.5100%1.15377%0.772SS**  cis-144.9029.4-148.4-48.3000114.6

Retrieved 801 of 801 residues in 350.5 ms (Link to these results)

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