A0A077ZAA6_TRITR Loading...

RPEL domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAA6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 253 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M56.5Low53.4Low234 Ų234149.8 Ų149.8100%1.15385%0.852SS**  095.60-60.2-162-148.200106.8
2L48.8Very low52.8Low164 Ų164146.7 Ų146.786%0.85985%0.846SS**  trans-82126.1173.3-90.377.4000107
3V63.3Low52Low138 Ų138140.8 Ų140.884%0.83684%0.838SS**  trans-108.9103177.8-132.80000106.7N5V3-N5 PolarHBondContact O-N 3.15Å
4D52.9Low51.7Low149 Ų149143.3 Ų143.380%0.79784%0.843SS**  trans-71.9113.8174.2-63.8-46.6000109
5N52.7Low51.3Low161 Ų161142.7 Ų142.786%0.86185%0.849SS**  trans-10589.6175.8-166.746000108.9V3V3-N5 PolarHBondContact O-N 3.15Å
6A50.8Low51.4Low84 Ų84137 Ų13769%0.69483%0.83SS**  trans-128.694.2174.800000109.6
7L52.7Low51.5Low168 Ų168139.2 Ų139.288%0.8884%0.836SS**  trans-149.293160.1-86.6121.1000108.4
8S54Low51.7Low114 Ų114139.2 Ų139.280%0.79784%0.836SS**  trans-95.8133.4161.6-18.30000107.9
9P56.1Low52.7Low123 Ų123141.1 Ų141.180%0.79984%0.835SS**  trans-75.3131.5-178.329.9-31000110.6M11P9-M11 PolarHBondContact O-N 2.92Å
10T47.3Very low53.6Low129 Ų129142.9 Ų142.979%0.79184%0.835SS**  trans-72.6114.7171.4440000109.7S12T10-S12 PolarHBondContact O-N 2.66Å
11M52.2Low54.4Low184 Ų184143.4 Ų143.491%0.90683%0.833SS**  trans-83.490.6167.4-74.4-68.2-67.400108.7P9P9-M11 PolarHBondContact O-N 2.92Å
12S46Very low55.4Low112 Ų112137.4 Ų137.478%0.78381%0.811SS**  trans-80.8134.7165.140.20000110T10T10-S12 PolarHBondContact O-N 2.66Å
13G42.6Very low56.6Low71 Ų71134.4 Ų134.473%0.73281%0.81SS**  trans111.454.2154.600000118.1
14L48.6Very low57.4Low175 Ų175137.4 Ų137.492%0.91681%0.812SS**  trans-135.282.8152.1-71175.7000108.6G16L14-G16 VanDerWaalsContact C-N 3.3Å; L14-G16 PolarHBondContact O-N 3.06Å; L14-G16 VanDerWaalsContact O-N 3.15Å
15S44.4Very low58.7Low134 Ų134138.3 Ų138.394%0.93781%0.811SS**  trans-80.282.1167.8-169.20000108.3
16G52.9Low59.7Low52 Ų52135.8 Ų135.854%0.53680%0.804SS.*  trans-111.5136.7158.900000107.3L14 V18L14-G16 VanDerWaalsContact C-N 3.3Å; L14-G16 PolarHBondContact O-N 3.06Å; L14-G16 VanDerWaalsContact O-N 3.15Å; G16-V18 PolarHBondContact O-N 2.75Å
17D54.4Low61Low174 Ų174136.6 Ų136.693%0.9380%0.796SS**  trans-53.3104.9175.2-72.9-57.2000109.8E19D17-E19 PolarHBondContact O-N 2.71Å
18V55.4Low61.9Low139 Ų139135.3 Ų135.384%0.84279%0.789SS**  trans-87.192.5173.31790000106.8G16 E20G16-V18 PolarHBondContact O-N 2.75Å; V18-E20 PolarHBondContact O-N 3.28Å
19E69.9Low63.2Low176 Ų176133.9 Ų133.982%0.82278%0.78SS**  trans-78111.8165.8-162.9172.9-168.800108.2D17 I21D17-E19 PolarHBondContact O-N 2.71Å; E19-I21 PolarHBondContact O-N 3.01Å; E19-I21 VanDerWaalsContact O-N 3.1Å
20E70.4Confident64.4Low176 Ų176130 Ų13082%0.82276%0.758SS**  trans-70.5103.4178.4-172.7174-176.500109.4V18 P22V18-E20 PolarHBondContact O-N 3.28Å; E20-P22 VanDerWaalsContact O-CD 3.27Å; E20-P22 WeakPolarHBondContact O-CD 3.42Å
21I71Confident65.8Low154 Ų154131.4 Ų131.479%0.7976%0.755SS**  trans-73.5115176.6-54.2173.8000108.1E19 A23E19-I21 PolarHBondContact O-N 3.01Å; E19-I21 VanDerWaalsContact O-N 3.1Å; I21-A23 PolarHBondContact O-N 2.77Å
22P76.9Confident66.9Low108 Ų108126.4 Ų126.470%0.70174%0.737SS**  trans-63.6135.3179.225.5-33.1000110.1E20 K24E20-P22 VanDerWaalsContact O-CD 3.27Å; E20-P22 WeakPolarHBondContact O-CD 3.42Å; P22-K24 PolarHBondContact O-N 3.46Å
23A73.8Confident68.4Low101 Ų101127.9 Ų127.984%0.83574%0.741SS**  trans-58.7108.3178.400000110.2I21 E25I21-A23 PolarHBondContact O-N 2.77Å; A23-E25 PolarHBondContact O-N 2.77Å
24K79.7Confident70.1Confident201 Ų201133 Ų13387%0.87474%0.743SS**  trans-74.8112.7174.8-172.566.5176.5-179.20109P22P22-K24 PolarHBondContact O-N 3.46Å
25E80.3Confident71.4Confident169 Ų169130.5 Ų130.579%0.7974%0.74SS**  trans-58.1137176.2-65.5-174.6171.300111.2A23 D27A23-E25 PolarHBondContact O-N 2.77Å; E25-D27 PolarHBondContact O-N 3.3Å
26P74.9Confident72.5Confident107 Ų107128.6 Ų128.670%0.69573%0.733SS**  trans-70.1124.2179.728-32.9000110.5L28P26-L28 PolarHBondContact O-N 2.9Å
27D76.9Confident72.9Confident101 Ų101134.5 Ų134.554%0.5475%0.751SS.*  trans-65.4108.6172.2178.78.6000110.1E25 S29 A30E25-D27 PolarHBondContact O-N 3.3Å; D27-S29 PolarHBondContact O-N 3.48Å; D27-S29 WeakPolarHBondContact OD1-CB 3.27Å; D27-S29 PolarHBondContact OD1-N 3.42Å; D27-S29 PolarHBondContact OD1-OG 3.33Å; D27-S29 PolarHBondContact OD2-OG 3.22Å; D27-A30 HydrophobicContact CB-CB 4.36Å
28L71.7Confident73.2Confident141 Ų141137.1 Ų137.174%0.73875%0.748SS**THydrogen-bonded Turntrans-68.1-20.1-178.8-61.1-179.8000112.5P26 R186P26-L28 PolarHBondContact O-N 2.9Å; L28-R186 PolarHBondContact O-NH2 3.49Å; L28-R186 VanDerWaalsContact O-NH2 3.16Å
29S81.5Confident73.7Confident85 Ų85140.8 Ų140.859%0.59475%0.747SS**THydrogen-bonded Turntrans-90.9-11.7-175.375.40000114.6D27 Q31D27-S29 PolarHBondContact O-N 3.48Å; D27-S29 WeakPolarHBondContact OD1-CB 3.27Å; D27-S29 PolarHBondContact OD1-N 3.42Å; D27-S29 PolarHBondContact OD1-OG 3.33Å; D27-S29 PolarHBondContact OD2-OG 3.22Å; S29-Q31 PolarHBondContact O-N 2.9Å
30A81.4Confident72.9Confident41 Ų41143.4 Ų143.434%0.33975%0.749SS.*PPolyproline II helixtrans-60.9126.6-175.300000113D27D27-A30 HydrophobicContact CB-CB 4.36Å
31Q77.7Confident71.9Confident158 Ų158139.3 Ų139.374%0.73874%0.736SS**PPolyproline II helixtrans-97.7147.7174.7-63.6-63.5-33.500110.7S29 T33S29-Q31 PolarHBondContact O-N 2.9Å; Q31-T33 PolarHBondContact O-N 3.03Å
32P74.2Confident71Confident80 Ų80136.4 Ų136.452%0.51974%0.735SS.*PPolyproline II helixtrans-65128.7-179.925.9-32.9000111.4K34P32-K34 VanDerWaalsContact C-N 3.29Å; P32-K34 PolarHBondContact O-N 3.16Å
33T78.3Confident69.6Low143 Ų143139.4 Ų139.488%0.87774%0.737SS**SBendtrans-74.3-17.7179.954.60000113.7Q31Q31-T33 PolarHBondContact O-N 3.03Å
34K77.7Confident68.3Low178 Ų178139 Ų13977%0.77474%0.735SS**SBendtrans-115.7126.3176.4-64.5-178.5-178.8176.50109.5P32 A36P32-K34 VanDerWaalsContact C-N 3.29Å; P32-K34 PolarHBondContact O-N 3.16Å; K34-A36 PolarHBondContact O-N 3.43Å
35S76.4Confident66.6Low122 Ų122136.8 Ų136.885%0.85373%0.732SS**  trans-59.8123.1174.7-530000109.9L37S35-L37 PolarHBondContact O-N 3.11Å
36A67.4Low64.9Low95 Ų95135.5 Ų135.579%0.78573%0.73SS**  trans-66.4121168.900000108.6K34 R38K34-A36 PolarHBondContact O-N 3.43Å; A36-R38 PolarHBondContact O-N 3.13Å
37L60.8Low63.5Low175 Ų175136.5 Ų136.592%0.91673%0.734SS**  trans-64.198.4179.9-149.978.1000109.4S35 R39S35-L37 PolarHBondContact O-N 3.11Å; L37-R39 PolarHBondContact O-N 3.17Å
38R60.9Low62.2Low229 Ų229137.5 Ų137.586%0.86474%0.744SS**  trans-84.993.1177.7-167.4174.2168.5-173.7-4.2108.4A36 R40A36-R38 PolarHBondContact O-N 3.13Å; R38-R40 PolarHBondContact O-N 3.34Å; R38-R40 VanDerWaalsContact O-N 3.16Å
39R65.1Low60.6Low216 Ų216138.2 Ų138.282%0.81575%0.748SS**  trans-66.7112.1167.6-169.9-178.6-66.2174.3-0.5107.9L37 V41L37-R39 PolarHBondContact O-N 3.17Å; R39-V41 HydrophobicContact CG-CG2 4.42Å; R39-V41 PolarHBondContact O-N 2.94Å; R39-V41 VanDerWaalsContact O-N 3.13Å
40R54.6Low59Low232 Ų232138.8 Ų138.888%0.87576%0.758SS**  trans-68.9104164-66175.776.1143.50106R38 A42R38-R40 PolarHBondContact O-N 3.34Å; R38-R40 VanDerWaalsContact O-N 3.16Å; R40-A42 PolarHBondContact O-N 3.08Å
41V49.7Very low57Low90 Ų90140.2 Ų140.255%0.54578%0.777SS.*  trans-80.599.1165.7-172.40000105.2R39 F43R39-V41 HydrophobicContact CG-CG2 4.42Å; R39-V41 PolarHBondContact O-N 2.94Å; R39-V41 VanDerWaalsContact O-N 3.13Å; V41-F43 HydrophobicContact CB-CE2 4.18Å; V41-F43 HydrophobicContact CB-CZ 4.44Å; V41-F43 HydrophobicContact CG1-CD1 4.27Å; V41-F43 HydrophobicContact CG1-CD2 4.12Å; V41-F43 HydrophobicContact CG1-CE1 3.95Å; V41-F43 HydrophobicContact CG1-CE2 3.79Å; V41-F43 HydrophobicContact CG1-CG 4.35Å; V41-F43 HydrophobicContact CG1-CZ 3.7Å; V41-F43 PolarHBondContact O-N 3.38Å
42A51.3Low55.3Low93 Ų93140.1 Ų140.177%0.76978%0.782SS**  trans-73106161.400000105.7R40 A44R40-A42 PolarHBondContact O-N 3.08Å; A42-A44 PolarHBondContact O-N 3Å
43F46.6Very low53.9Low170 Ų170143.2 Ų143.275%0.74679%0.789SS**  trans-72.3108.4161.9-67.2-79.6000105.4V41 D45V41-F43 HydrophobicContact CB-CE2 4.18Å; V41-F43 HydrophobicContact CB-CZ 4.44Å; V41-F43 HydrophobicContact CG1-CD1 4.27Å; V41-F43 HydrophobicContact CG1-CD2 4.12Å; V41-F43 HydrophobicContact CG1-CE1 3.95Å; V41-F43 HydrophobicContact CG1-CE2 3.79Å; V41-F43 HydrophobicContact CG1-CG 4.35Å; V41-F43 HydrophobicContact CG1-CZ 3.7Å; V41-F43 PolarHBondContact O-N 3.38Å; F43-D45 PolarHBondContact O-N 3.39Å
44A47.8Very low52.2Low94 Ų94143.5 Ų143.578%0.77778%0.781SS**  trans-69.7112.7163.100000106.4A42 D46A42-A44 PolarHBondContact O-N 3Å; A44-D46 PolarHBondContact O-N 3.3Å
45D43.9Very low50.7Low154 Ų154140.1 Ų140.182%0.82478%0.779SS**  trans-64.4103.7157.7-85-36.8000106.5F43F43-D45 PolarHBondContact O-N 3.39Å
46D44.2Very low49.2Very low141 Ų141145.8 Ų145.875%0.75478%0.782SS**  trans-102.794.9165.3-146.210.9000106.7A44 V48A44-D46 PolarHBondContact O-N 3.3Å; D46-V48 PolarHBondContact O-N 2.64Å
47V44.7Very low48.1Very low128 Ų128146.4 Ų146.478%0.77678%0.78SS**  trans-78.7101170.3174.70000106.2
48V49.8Very low47.2Very low123 Ų123143.2 Ų143.275%0.74577%0.773SS**  trans-103.7104.1166.2-81.10000109.2D46D46-V48 PolarHBondContact O-N 2.64Å
49D39.4Very low46.5Very low155 Ų155139.1 Ų139.183%0.82977%0.773SS**  trans-72.3120.6165.1-179.936.6000109.1
50A48.1Very low45.3Very low97 Ų97132.4 Ų132.480%0.80277%0.771SS**  trans-152.2111.3166.800000108.3
51G38.8Very low44.8Very low71 Ų71126.2 Ų126.273%0.73277%0.77SS**  trans-79179.3-171.200000116.4
52D42.5Very low44.7Very low157 Ų157130.2 Ų130.284%0.8478%0.782SS**  trans66107.3151.4-94.3-6000119.6
53E43.5Very low44.3Very low145 Ų145131.4 Ų131.468%0.67878%0.775SS**  163.1121.599.9-81-127.3118.600112.8
54Q44.3Very low44Very low149 Ų149130.8 Ų130.870%0.69678%0.777SS**  trans63.3107.5136.9-54.7-170.82600121.7
55S44.7Very low43.7Very low107 Ų107130.8 Ų130.875%0.74877%0.772SS**  69.1101.2122.5-55.80000119.9
56R45.4Very low43.8Very low241 Ų241131.4 Ų131.491%0.90977%0.77SS**  -175.797.9125.4-102.2166.6159.8-171.4-5.9114.4
57S44.4Very low43.7Very low107 Ų107131.9 Ų131.975%0.74877%0.77SS**  trans28.2124.1134.171.60000121.3
58S42.8Very low43.5Very low108 Ų108130.8 Ų130.876%0.75577%0.769SS**  112.5121.7115.1-137.20000118.7
59V46Very low43.2Very low143 Ų143132 Ų13287%0.86777%0.769SS**  trans83.4101.3153.2-148.50000118.7
60G38.6Very low43.5Very low75 Ų75128.7 Ų128.777%0.77376%0.764SS**  trans126.178.8132.700000117.4
61A45.2Very low43.2Very low103 Ų103133.4 Ų133.485%0.85177%0.769SS**  trans-168.586.8148.900000110.3
62Q47.8Very low43.6Very low174 Ų174134.6 Ų134.681%0.81377%0.767SS**  trans-83.4111.7173.1-150.181.97.800108.6
63I41Very low43.8Very low118 Ų118136 Ų13661%0.60577%0.768SS**  trans60.3105.1136.3-51.9174.1000118.1
64I42.3Very low44.2Very low157 Ų157139.5 Ų139.581%0.80578%0.775SS**  trans-123.191.5138-62.9177.3000106Q66I64-Q66 PolarHBondContact O-N 3.21Å; I64-Q66 PolarHBondContact O-NE2 2.99Å
65S41.4Very low44.5Very low94 Ų94139.8 Ų139.866%0.65778%0.781SS**  trans-74.5122.4171.8-70.40000109.3I67S65-I67 PolarHBondContact O-N 3.37Å
66Q45Very low45.2Very low166 Ų166142.7 Ų142.778%0.77678%0.783SS**  trans-58.9121.1164.4-15-91-61.400107.5I64I64-Q66 PolarHBondContact O-N 3.21Å; I64-Q66 PolarHBondContact O-NE2 2.99Å
67I41.9Very low45.7Very low151 Ų151139 Ų13977%0.77478%0.781SS**  trans-93.6101158.8-129.481.5000105.3S65 I69S65-I67 PolarHBondContact O-N 3.37Å; I67-I69 HydrophobicContact CG1-CG1 4.48Å; I67-I69 HydrophobicContact CG2-CG1 4.43Å
68S41Very low46.6Very low106 Ų106141.2 Ų141.274%0.74179%0.785SS**  trans-109.4100.1161.938.60000105A70S68-A70 PolarHBondContact O-N 3.49Å
69I43.4Very low47.6Very low147 Ų147145.4 Ų145.475%0.75479%0.792SS**  trans-74.2103175.3-63.1171.6000105.5I67I67-I69 HydrophobicContact CG1-CG1 4.48Å; I67-I69 HydrophobicContact CG2-CG1 4.43Å
70A44.6Very low48.4Very low87 Ų87146.6 Ų146.672%0.71979%0.794SS**  trans-76.8124.9167.700000107.9S68 S72S68-A70 PolarHBondContact O-N 3.49Å; A70-S72 PolarHBondContact O-N 3.3Å
71E42.3Very low49.9Very low196 Ų196145.4 Ų145.492%0.91678%0.782SS**  trans-62.5116.3172.2-62.6171.5142.100108.4
72S48.3Very low51Low96 Ų96146.4 Ų146.467%0.67178%0.78SS**  trans-131.7110.7164.267.10000108.1A70A70-S72 PolarHBondContact O-N 3.3Å
73E45.2Very low51.4Low187 Ų187144.7 Ų144.787%0.87478%0.781SS**  trans-49.1130.4173.2-57.4174.6162.300111
74R52.9Low52.4Low217 Ų217144.4 Ų144.482%0.81979%0.785SS**  trans-155.4100.4159.5-115.8-177.2-80.4-157.4-1.3108.1
75D49.9Very low53Low155 Ų155148.2 Ų148.283%0.82979%0.79SS**  trans-69.9117.8169.5-57.9-59.9000109.2
76E59.3Low53.7Low169 Ų169154.8 Ų154.879%0.7980%0.801SS**  trans-135.7105.2157.5-70.1-171.3-179.500107.3D78E76-D78 PolarHBondContact O-N 3.44Å
77D56.2Low53.7Low163 Ų163152.7 Ų152.787%0.87281%0.805SS**  trans-60.4119.6170.3-82.6-51.9000110.2
78D63.4Low54.1Low153 Ų153150.7 Ų150.782%0.81880%0.804SS**  trans-136.8104.6159.7-82.3-49.5000109.8E76 D80E76-D78 PolarHBondContact O-N 3.44Å; D78-D80 PolarHBondContact O-N 3.31Å
79E63.1Low54.7Low196 Ų196150.5 Ų150.592%0.91680%0.803SS**  trans-82.589.9-176.4-175.5168.6172.100110.9G81E79-G81 PolarHBondContact O-N 3.04Å
80D64.6Low55.1Low169 Ų169150.9 Ų150.990%0.90481%0.807SS**  trans-90.294.3172.6-109.3-22.5000110.7D78D78-D80 PolarHBondContact O-N 3.31Å
81G69.6Low55.5Low50 Ų50155.3 Ų155.352%0.51581%0.812SS.*  trans-71.9154.8173.900000113.5E79 V83E79-G81 PolarHBondContact O-N 3.04Å; G81-V83 PolarHBondContact O-N 3.46Å
82P68.3Low56.1Low124 Ų124154.3 Ų154.381%0.80581%0.808SS**  trans-66.8123.2-172.325.5-33.4000112.8T84P82-T84 PolarHBondContact O-N 3.35Å
83V55.6Low56.2Low137 Ų137157.8 Ų157.883%0.8382%0.818SS**  trans-63.8106.3174.7179.70000109.9G81 Y85G81-V83 PolarHBondContact O-N 3.46Å; V83-Y85 PolarHBondContact O-N 2.81Å
84T62.8Low56.7Low113 Ų113156.4 Ų156.469%0.69381%0.812SS**  trans-74.4120.2173.260.40000110.2P82 R86P82-T84 PolarHBondContact O-N 3.35Å; T84-R86 PolarHBondContact O-N 2.84Å
85Y55Low56.7Low236 Ų236151.5 Ų151.593%0.92581%0.808SS**  trans-6896171.7-104.6-98.6000109.1V83 S87V83-Y85 PolarHBondContact O-N 2.81Å; Y85-S87 PolarHBondContact O-N 3.18Å
86R56.1Low57.1Low232 Ų232154.6 Ų154.688%0.87581%0.809SS**  trans-78.5105.9167.4-82.4-169.8167.3-177.3-2.7109.7T84 S88T84-R86 PolarHBondContact O-N 2.84Å; R86-S88 PolarHBondContact O-N 3.14Å
87S44.9Very low56.9Low123 Ų123153.8 Ų153.886%0.8682%0.815SS**  trans-69109.8160.4177.50000109.1Y85Y85-S87 PolarHBondContact O-N 3.18Å
88S50.6Low57Low109 Ų109149.5 Ų149.576%0.76279%0.791SS**  trans-126.695.6164-168.30000105.1R86R86-S88 PolarHBondContact O-N 3.14Å
89S52.3Low57.2Low102 Ų102146.8 Ų146.871%0.71378%0.784SS**  39.191.793.9-112.70000112.5
90D51.5Low57.4Low155 Ų155140.1 Ų140.183%0.82977%0.768SS**  50.479.6117.3-154.132.6000116.8
91E54.5Low57.5Low180 Ų180138.3 Ų138.384%0.84176%0.757SS**  trans-151.3110.2151.4-68.9-163.2170.600109.8
92E53.4Low57.4Low175 Ų175137.7 Ų137.782%0.81875%0.748SS**  trans52114.4136.3-54.1-170.8170.500120.5E94E92-E94 PolarHBondContact O-N 3.3Å
93D50.5Low57.2Low168 Ų168134.3 Ų134.390%0.89873%0.727SS**  trans0.872.5144.8-64.5-49.6000118.6
94E55.3Low57.6Low159 Ų159135.4 Ų135.474%0.74372%0.716SS**  trans-135.5129.7158-87.8-66.3150.700109.2E92 R96E92-E94 PolarHBondContact O-N 3.3Å; E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.72Å
95P54.1Low57.7Low114 Ų114135.4 Ų135.474%0.7472%0.716SS**  trans-68.389.3-179.929.2-34.1000109.2V97P95-V97 PolarHBondContact O-N 3.45Å; P95-V97 VanDerWaalsContact O-N 3.15Å
96R57.2Low58Low220 Ų220132.8 Ų132.883%0.8371%0.706SS**  trans-47.9125.7169.7-78-176.7176.6-158.5-0108.1E94 L98E94-R96 VanDerWaalsContact C-N 3.29Å; E94-R96 PolarHBondContact O-N 2.72Å; R96-L98 WeakPolarHBondContact O-CG 3.47Å; R96-L98 PolarHBondContact O-N 3.45Å
97V56.8Low58.3Low151 Ų151127.6 Ų127.692%0.91569%0.686SS**  trans-65.780178.1-158.60000108.1P95 S99P95-V97 PolarHBondContact O-N 3.45Å; P95-V97 VanDerWaalsContact O-N 3.15Å; V97-S99 PolarHBondContact O-N 3.19Å
98L58.4Low59.2Low74 Ų74131.4 Ų131.439%0.38769%0.687SS.*  trans-67.4107.3-177.6-73.7173.2000107.9R96 A102 S103 Y106R96-L98 WeakPolarHBondContact O-CG 3.47Å; R96-L98 PolarHBondContact O-N 3.45Å; L98-A102 HydrophobicContact CB-CB 4.2Å; L98-A102 HydrophobicContact CD2-CB 4.34Å; L98-S103 VanDerWaalsContact CB-OG 3.27Å; L98-S103 WeakPolarHBondContact CB-OG 3.5Å; L98-S103 WeakPolarHBondContact O-CB 3.26Å; L98-S103 PolarHBondContact O-OG 3.35Å; L98-Y106 HydrophobicContact CD1-CD2 3.91Å; L98-Y106 HydrophobicContact CD1-CE2 4.2Å
99S67Low60Low96 Ų96130.1 Ų130.167%0.67167%0.672SS**  trans-41.5141.9177-179.40000111.7V97 L101 A102 S103V97-S99 PolarHBondContact O-N 3.19Å; S99-L101 CarbonylContact O-C 3.48Å; S99-L101 PolarHBondContact O-N 2.87Å; S99-A102 WeakPolarHBondContact O-CB 3.4Å; S99-A102 PolarHBondContact O-N 2.98Å; S99-S103 PolarHBondContact O-N 3.34Å
100G67.2Low60.8Low55 Ų55129.1 Ų129.157%0.56766%0.661SS**THydrogen-bonded Turntrans-53.4-15.8-156.500000117.7R104G100-R104 VanDerWaalsContact O-CD 3.26Å; G100-R104 WeakPolarHBondContact O-CD 3.23Å; G100-R104 VanDerWaalsContact O-CG 3.28Å; G100-R104 WeakPolarHBondContact O-CG 3.46Å
101L67.4Low61.4Low131 Ų131128 Ų12869%0.68666%0.655SS**THydrogen-bonded Turntrans-85.4-43.5170.3-159.670.7000112.7S99 S103 R104 V105S99-L101 CarbonylContact O-C 3.48Å; S99-L101 PolarHBondContact O-N 2.87Å; L101-S103 PolarHBondContact O-N 3.05Å; L101-R104 WeakPolarHBondContact O-CA 3.48Å; L101-R104 WeakPolarHBondContact O-CB 3.43Å; L101-R104 PolarHBondContact O-N 3.46Å; L101-V105 WeakPolarHBondContact O-CG2 3.28Å; L101-V105 PolarHBondContact O-N 3.39Å
102A66.8Low61.9Low38 Ų38122.7 Ų122.731%0.31464%0.638SS.*Hα-helixtrans-63-39.9176.700000111.9L98 S99 R104 V105 Y106L98-A102 HydrophobicContact CB-CB 4.2Å; L98-A102 HydrophobicContact CD2-CB 4.34Å; S99-A102 WeakPolarHBondContact O-CB 3.4Å; S99-A102 PolarHBondContact O-N 2.98Å; A102-R104 PolarHBondContact O-N 3.47Å; A102-V105 PolarHBondContact O-N 3.42Å; A102-V105 VanDerWaalsContact O-N 3.13Å; A102-Y106 WeakPolarHBondContact O-CD2 3.34Å; A102-Y106 PolarHBondContact O-N 3.1Å
103S64.4Low62.4Low53 Ų53118.8 Ų118.837%0.37162%0.622SS.*Hα-helixtrans-65.5-20.1171.5-77.60000114.2L98 S99 L101L98-S103 VanDerWaalsContact CB-OG 3.27Å; L98-S103 WeakPolarHBondContact CB-OG 3.5Å; L98-S103 WeakPolarHBondContact O-CB 3.26Å; L98-S103 PolarHBondContact O-OG 3.35Å; S99-S103 PolarHBondContact O-N 3.34Å; L101-S103 PolarHBondContact O-N 3.05Å
104R63.4Low63Low159 Ų159117.1 Ų117.160%0.661%0.606SS**Hα-helixtrans-82.8-25.6173.1-76.6169.573.4155.81.1112.2G100 L101 A102G100-R104 VanDerWaalsContact O-CD 3.26Å; G100-R104 WeakPolarHBondContact O-CD 3.23Å; G100-R104 VanDerWaalsContact O-CG 3.28Å; G100-R104 WeakPolarHBondContact O-CG 3.46Å; L101-R104 WeakPolarHBondContact O-CA 3.48Å; L101-R104 WeakPolarHBondContact O-CB 3.43Å; L101-R104 PolarHBondContact O-N 3.46Å; A102-R104 PolarHBondContact O-N 3.47Å
105V64.8Low63.6Low113 Ų113115.8 Ų115.869%0.68560%0.604SS**Hα-helixtrans-82.1-28179.7176.20000112.2L101 A102 R107L101-V105 WeakPolarHBondContact O-CG2 3.28Å; L101-V105 PolarHBondContact O-N 3.39Å; A102-V105 PolarHBondContact O-N 3.42Å; A102-V105 VanDerWaalsContact O-N 3.13Å; V105-R107 VanDerWaalsContact C-N 3.3Å; V105-R107 PolarHBondContact O-N 3.12Å
106Y61.4Low63.9Low181 Ų181117.4 Ų117.471%0.7160%0.604SS**SBendtrans-79.92.3176.1-86.9-83.1000115.8L98 A102 K108L98-Y106 HydrophobicContact CD1-CD2 3.91Å; L98-Y106 HydrophobicContact CD1-CE2 4.2Å; A102-Y106 WeakPolarHBondContact O-CD2 3.34Å; A102-Y106 PolarHBondContact O-N 3.1Å; Y106-K108 PolarHBondContact O-N 3.25Å; Y106-K108 VanDerWaalsContact O-N 3.08Å
107R61.8Low64.3Low124 Ų124111.8 Ų111.847%0.46859%0.59SS.*  trans-73.1101.5175-64.2-176.6-164.7-179.1-0.3109.7V105 D109 T110V105-R107 VanDerWaalsContact C-N 3.3Å; V105-R107 PolarHBondContact O-N 3.12Å; R107-D109 PolarHBondContact O-N 3.31Å; R107-T110 HydrophobicContact CB-CG2 4.35Å; R107-T110 PolarHBondContact O-N 2.91Å; R107-T110 VanDerWaalsContact O-N 3.16Å; R107-T110 PolarHBondContact O-OG1 2.91Å
108K65.2Low64.9Low203 Ų203112.7 Ų112.788%0.88359%0.589SS**THydrogen-bonded Turntrans-54.2-10.1170.8-81.4-86.8-179.2175.10113.4Y106Y106-K108 PolarHBondContact O-N 3.25Å; Y106-K108 VanDerWaalsContact O-N 3.08Å
109D67.2Low65.5Low81 Ų81112.6 Ų112.643%0.43359%0.589SS.*THydrogen-bonded Turntrans-97.82.1-173.626.6-55.4000113.1R107 L111 S112 L113R107-D109 PolarHBondContact O-N 3.31Å; D109-L111 VanDerWaalsContact C-N 3.31Å; D109-L111 PolarHBondContact O-N 3.48Å; D109-S112 PolarHBondContact O-N 3.23Å; D109-S112 VanDerWaalsContact O-N 3.11Å; D109-L113 PolarHBondContact O-N 3.41Å
110T68.3Low65.7Low81 Ų81112.7 Ų112.750%0.49759%0.587SS.*Hα-helixtrans-63.2-33.8171520000113.1R107 K114R107-T110 HydrophobicContact CB-CG2 4.35Å; R107-T110 PolarHBondContact O-N 2.91Å; R107-T110 VanDerWaalsContact O-N 3.16Å; R107-T110 PolarHBondContact O-OG1 2.91Å; T110-K114 PolarHBondContact O-N 3.39Å
111L65Low65.9Low133 Ų133115.1 Ų115.170%0.69659%0.593SS**Hα-helixtrans-69.4-40.3169-107.595.8000111.4D109 L113 K114 D115D109-L111 VanDerWaalsContact C-N 3.31Å; D109-L111 PolarHBondContact O-N 3.48Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 3.49Å; L111-K114 WeakPolarHBondContact O-CA 3.24Å; L111-K114 WeakPolarHBondContact O-CB 3.48Å; L111-K114 PolarHBondContact O-N 2.94Å; L111-D115 PolarHBondContact O-N 2.91Å
112S64.1Low66Low68 Ų68115.2 Ų115.248%0.47660%0.602SS.*Hα-helixtrans-66.8-29-179.4-157.30000112.5D109 M116D109-S112 PolarHBondContact O-N 3.23Å; D109-S112 VanDerWaalsContact O-N 3.11Å; S112-M116 WeakPolarHBondContact O-CB 3.4Å; S112-M116 VanDerWaalsContact O-CG 3.24Å; S112-M116 WeakPolarHBondContact O-CG 3.2Å; S112-M116 PolarHBondContact O-N 3.18Å
113L63.8Low66.2Low92 Ų92118.7 Ų118.748%0.48262%0.618SS.*Hα-helixtrans-70-32.6169.8-79.1158.8000112.5D109 L111 D115 M116 L117D109-L113 PolarHBondContact O-N 3.41Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 3.49Å; L113-D115 VanDerWaalsContact C-N 3.27Å; L113-D115 PolarHBondContact O-N 3.41Å; L113-M116 PolarHBondContact O-N 2.88Å; L113-L117 HydrophobicContact CD2-CD1 4.16Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 VanDerWaalsContact O-CD1 3.23Å; L113-L117 WeakPolarHBondContact O-CD1 3.29Å; L113-L117 PolarHBondContact O-N 3.43Å
114K64.3Low66.4Low133 Ų133120 Ų12058%0.57862%0.622SS**Hα-helixtrans-65.1-33.8174.8-165.495.1171.5177.70111.5T110 L111 L119T110-K114 PolarHBondContact O-N 3.39Å; L111-K114 WeakPolarHBondContact O-CA 3.24Å; L111-K114 WeakPolarHBondContact O-CB 3.48Å; L111-K114 PolarHBondContact O-N 2.94Å; K114-L119 HydrophobicContact CD-CD2 3.57Å; K114-L119 HydrophobicContact CG-CD2 4Å
115D66.3Low66.8Low131 Ų131120 Ų12070%0.70163%0.633SS**Hα-helixtrans-85.5-24.8177.9-63.5-20.8000113.1L111 L113L111-D115 PolarHBondContact O-N 2.91Å; L113-D115 VanDerWaalsContact C-N 3.27Å; L113-D115 PolarHBondContact O-N 3.41Å
116M61.2Low67.1Low148 Ų148118.2 Ų118.273%0.72962%0.619SS**Hα-helixtrans-88.2-29.1177.9-78.7-96.583.400114S112 L113S112-M116 WeakPolarHBondContact O-CB 3.4Å; S112-M116 VanDerWaalsContact O-CG 3.24Å; S112-M116 WeakPolarHBondContact O-CG 3.2Å; S112-M116 PolarHBondContact O-N 3.18Å; L113-M116 PolarHBondContact O-N 2.88Å
117L66.6Low67.7Low102 Ų102113.7 Ų113.753%0.53461%0.612SS.*THydrogen-bonded Turntrans-75.8128.1165.6-86.664.4000106.2L113 L119L113-L117 HydrophobicContact CD2-CD1 4.16Å; L113-L117 WeakPolarHBondContact O-CB 3.47Å; L113-L117 VanDerWaalsContact O-CD1 3.23Å; L113-L117 WeakPolarHBondContact O-CD1 3.29Å; L113-L117 PolarHBondContact O-N 3.43Å; L117-L119 HydrophobicContact CB-CD1 3.27Å; L117-L119 HydrophobicContact CD2-CD1 4.08Å; L117-L119 HydrophobicContact CG-CD1 4.33Å; L117-L119 WeakPolarHBondContact O-CD1 3.46Å; L117-L119 PolarHBondContact O-N 3.26Å
118D67.8Low68.3Low170 Ų170115.4 Ų115.491%0.90963%0.631SS**THydrogen-bonded Turntrans-6263.9171-71.3-45.8000110.9
119L71.4Confident69Low73 Ų73108 Ų10838%0.38260%0.599SS.*PPolyproline II helixtrans-65.8134.3173-92.672.4000106.8K114 L117K114-L119 HydrophobicContact CD-CD2 3.57Å; K114-L119 HydrophobicContact CG-CD2 4Å; L117-L119 HydrophobicContact CB-CD1 3.27Å; L117-L119 HydrophobicContact CD2-CD1 4.08Å; L117-L119 HydrophobicContact CG-CD1 4.33Å; L117-L119 WeakPolarHBondContact O-CD1 3.46Å; L117-L119 PolarHBondContact O-N 3.26Å
120P70.9Confident69.9Low98 Ų98108.3 Ų108.364%0.63660%0.604SS**PPolyproline II helixtrans-53.1146171.524.1-32.6000108.8
121P71.2Confident70.7Confident106 Ų106110.2 Ų110.269%0.68861%0.607SS**PPolyproline II helixtrans-51.2149.4178.324.2-34.6000109.2V123P121-V123 PolarHBondContact O-N 3.33Å
122P71Confident71.8Confident133 Ų133111 Ų11186%0.86461%0.607SS**  trans-45.7108.8179.2-25.831.9000109.7D124P122-D124 PolarHBondContact O-N 2.89Å
123V71Confident73.1Confident110 Ų110112.1 Ų112.167%0.66761%0.605SS**  trans-71125.5179.6178.70000105.6P121 D125P121-V123 PolarHBondContact O-N 3.33Å; V123-D125 PolarHBondContact O-N 2.82Å; V123-D125 VanDerWaalsContact O-N 3.14Å
124D68.4Low74.3Confident82 Ų82111.5 Ų111.544%0.43960%0.596SS.*  trans-56.9120.3169.5-120.7-25.4000107.6P122 I126 R134P122-D124 PolarHBondContact O-N 2.89Å; D124-I126 CarbonylContact O-C 3.52Å; D124-I126 PolarHBondContact O-N 3.13Å; D124-R134 VanDerWaalsContact CG-NH2 3.25Å; D124-R134 IonicContact OD1-CZ 3.45Å; D124-R134 IonicContact OD1-NH1 2.72Å; D124-R134 IonicContact OD1-NH2 3.72Å; D124-R134 PolarHBondContact OD1-NH2 3.14Å; D124-R134 IonicContact OD2-NH2 2.79Å; D124-R134 PolarHBondContact OD2-NH2 2.92Å
125D70.4Confident75.7Confident158 Ų158113 Ų11385%0.84560%0.598SS**SBendtrans-54.1-17.6-178.7-65-37.2000112.8V123V123-D125 PolarHBondContact O-N 2.82Å; V123-D125 VanDerWaalsContact O-N 3.14Å
126I72Confident77Confident75 Ų75112.1 Ų112.139%0.38559%0.59SS.*SBendtrans-124.494.2175.2-52.1174.1000108.3D124 Q129D124-I126 CarbonylContact O-C 3.52Å; D124-I126 PolarHBondContact O-N 3.13Å; I126-Q129 HydrophobicContact CG2-CG 4.37Å
127P74Confident78.6Confident86 Ų86109.5 Ų109.556%0.55857%0.574SS**THydrogen-bonded Turntrans-65.1150.7-179.525.2-32.8000111.6
128N74.8Confident79.9Confident161 Ų161110.8 Ų110.886%0.86158%0.579SS**THydrogen-bonded Turntrans71.629.9177-46.5-54.8000116.5
129Q79.3Confident81.3Confident48 Ų48108.8 Ų108.822%0.22456%0.564CS.*  trans-137.1129.3174-62.7-177.416.700112.6I126 E133I126-Q129 HydrophobicContact CG2-CG 4.37Å; Q129-E133 VanDerWaalsContact CA-OE2 3.29Å; Q129-E133 WeakPolarHBondContact CA-OE2 3.3Å
130T86Confident82.6Confident86 Ų86110.6 Ų110.653%0.52857%0.572SS.*  trans-69151169.8-54.30000109.7Q132 E133 R134T130-Q132 HydrophobicContact CG2-CB 4.46Å; T130-Q132 PolarHBondContact O-N 3.15Å; T130-Q132 VanDerWaalsContact O-N 3.1Å; T130-E133 PolarHBondContact N-OE2 3.38Å; T130-E133 WeakPolarHBondContact O-CB 3.46Å; T130-E133 PolarHBondContact O-N 3.33Å; T130-R134 PolarHBondContact O-N 2.82Å
131Q85.3Confident83.8Confident121 Ų121110.2 Ų110.257%0.56557%0.568SS**Hα-helixtrans-50.9-37.4175.6-168.2-165.64900112.8R134 R135Q131-R134 WeakPolarHBondContact O-CB 3.27Å; Q131-R134 PolarHBondContact O-N 3.05Å; Q131-R135 WeakPolarHBondContact O-CG 3.45Å; Q131-R135 PolarHBondContact O-N 3.33Å; Q131-R135 VanDerWaalsContact O-N 3.12Å
132Q88.8Confident85.1Confident149 Ų149108.5 Ų108.570%0.69656%0.558SS**Hα-helixtrans-66.1-43.4176.6-65.9-177.75.400112.5T130 R134 R135 H136T130-Q132 HydrophobicContact CG2-CB 4.46Å; T130-Q132 PolarHBondContact O-N 3.15Å; T130-Q132 VanDerWaalsContact O-N 3.1Å; Q132-R134 VanDerWaalsContact C-N 3.27Å; Q132-R134 PolarHBondContact O-N 2.91Å; Q132-R135 WeakPolarHBondContact O-CB 3.44Å; Q132-R135 PolarHBondContact O-N 3.42Å; Q132-H136 PolarHBondContact O-N 3.46Å
133E90.6Very high86.4Confident92 Ų92106.4 Ų106.443%0.4354%0.543SS..Hα-helixtrans-63.1-36.5176.6-63.4176.3146.100111.3Q129 T130 H136 K137Q129-E133 VanDerWaalsContact CA-OE2 3.29Å; Q129-E133 WeakPolarHBondContact CA-OE2 3.3Å; T130-E133 PolarHBondContact N-OE2 3.38Å; T130-E133 WeakPolarHBondContact O-CB 3.46Å; T130-E133 PolarHBondContact O-N 3.33Å; E133-H136 PolarHBondContact O-N 3.2Å; E133-K137 WeakPolarHBondContact O-CB 3.38Å; E133-K137 VanDerWaalsContact O-CG 3.3Å; E133-K137 WeakPolarHBondContact O-CG 3.32Å; E133-K137 PolarHBondContact O-N 2.63Å
134R90Very high87.7Confident80 Ų80107.7 Ų107.730%0.30254%0.539SS..Hα-helixtrans-61.8-45.5174.1-168.4-176.6-56.9176.16.7111.3D124 T130 Q131 Q132 K137 M138D124-R134 VanDerWaalsContact CG-NH2 3.25Å; D124-R134 IonicContact OD1-CZ 3.45Å; D124-R134 IonicContact OD1-NH1 2.72Å; D124-R134 IonicContact OD1-NH2 3.72Å; D124-R134 PolarHBondContact OD1-NH2 3.14Å; D124-R134 IonicContact OD2-NH2 2.79Å; D124-R134 PolarHBondContact OD2-NH2 2.92Å; T130-R134 PolarHBondContact O-N 2.82Å; Q131-R134 WeakPolarHBondContact O-CB 3.27Å; Q131-R134 PolarHBondContact O-N 3.05Å; Q132-R134 VanDerWaalsContact C-N 3.27Å; Q132-R134 PolarHBondContact O-N 2.91Å; R134-K137 PolarHBondContact O-N 3.15Å; R134-M138 WeakPolarHBondContact O-CB 3.45Å; R134-M138 PolarHBondContact O-N 3.45Å
135R92.4Very high89.1Confident164 Ų164108.3 Ų108.362%0.61954%0.542SS*.Hα-helixtrans-61.3-45.7175.9-70.7179-176.7-171.33.2111.4Q131 Q132 K137 M138 E139Q131-R135 WeakPolarHBondContact O-CG 3.45Å; Q131-R135 PolarHBondContact O-N 3.33Å; Q131-R135 VanDerWaalsContact O-N 3.12Å; Q132-R135 WeakPolarHBondContact O-CB 3.44Å; Q132-R135 PolarHBondContact O-N 3.42Å; R135-K137 PolarHBondContact O-N 3.22Å; R135-M138 WeakPolarHBondContact O-CB 3.4Å; R135-M138 PolarHBondContact O-N 2.81Å; R135-E139 PolarHBondContact O-N 2.72Å
136H94.3Very high90.4Very high112 Ų112107.2 Ų107.252%0.51953%0.532SS..Hα-helixtrans-63.7-42.3178.1-173.7-96.1000112.3Q132 E133 M138 E139 M140Q132-H136 PolarHBondContact O-N 3.46Å; E133-H136 PolarHBondContact O-N 3.2Å; H136-M138 VanDerWaalsContact C-N 3.34Å; H136-M138 PolarHBondContact O-N 3.25Å; H136-E139 PolarHBondContact O-N 2.83Å; H136-M140 PolarHBondContact CE1-SD 3.36Å; H136-M140 WeakPolarHBondContact O-CB 3.33Å; H136-M140 VanDerWaalsContact O-CG 3.32Å; H136-M140 WeakPolarHBondContact O-CG 3.3Å; H136-M140 PolarHBondContact O-N 3.15Å
137K94Very high91.6Very high94 Ų94112 Ų11241%0.40955%0.545SS..Hα-helixtrans-63.1-40.3174.1-73.1177.3-168.5-175.10111.9E133 R134 R135 M140 V141E133-K137 WeakPolarHBondContact O-CB 3.38Å; E133-K137 VanDerWaalsContact O-CG 3.3Å; E133-K137 WeakPolarHBondContact O-CG 3.32Å; E133-K137 PolarHBondContact O-N 2.63Å; R134-K137 PolarHBondContact O-N 3.15Å; R135-K137 PolarHBondContact O-N 3.22Å; K137-M140 PolarHBondContact O-N 2.96Å; K137-V141 WeakPolarHBondContact O-CB 3.48Å; K137-V141 VanDerWaalsContact O-CG2 3.27Å; K137-V141 WeakPolarHBondContact O-CG2 3.49Å; K137-V141 PolarHBondContact O-N 2.91Å
138M94.7Very high92.8Very high129 Ų129114.4 Ų114.464%0.63555%0.547SS*.Hα-helixtrans-61-46.3175.4-171.665.170.600111.1R134 R135 H136 V141 S142R134-M138 WeakPolarHBondContact O-CB 3.45Å; R134-M138 PolarHBondContact O-N 3.45Å; R135-M138 WeakPolarHBondContact O-CB 3.4Å; R135-M138 PolarHBondContact O-N 2.81Å; H136-M138 VanDerWaalsContact C-N 3.34Å; H136-M138 PolarHBondContact O-N 3.25Å; M138-V141 PolarHBondContact O-N 3.46Å; M138-S142 VanDerWaalsContact O-CB 3.31Å; M138-S142 WeakPolarHBondContact O-CB 3.41Å; M138-S142 PolarHBondContact O-N 3.16Å
139E97.1Very high93.9Very high127 Ų127111.5 Ų111.559%0.59353%0.531SS*.Hα-helixtrans-61.5-46.8176.3-175.3176.2-171.200111.7R135 H136 V141 S142 V143R135-E139 PolarHBondContact O-N 2.72Å; H136-E139 PolarHBondContact O-N 2.83Å; E139-V141 VanDerWaalsContact C-N 3.34Å; E139-V141 PolarHBondContact O-N 2.97Å; E139-S142 WeakPolarHBondContact O-CB 3.16Å; E139-S142 PolarHBondContact O-N 3.24Å; E139-S142 VanDerWaalsContact O-N 3.15Å; E139-V143 WeakPolarHBondContact O-CG2 3.31Å; E139-V143 PolarHBondContact O-N 3.5Å
140M97.7Very high94.7Very high111 Ų111113.8 Ų113.855%0.54755%0.552SS.*Hα-helixtrans-58.2-43.8175.3-75178.251.700112.8H136 K137 S142 K144H136-M140 PolarHBondContact CE1-SD 3.36Å; H136-M140 WeakPolarHBondContact O-CB 3.33Å; H136-M140 VanDerWaalsContact O-CG 3.32Å; H136-M140 WeakPolarHBondContact O-CG 3.3Å; H136-M140 PolarHBondContact O-N 3.15Å; K137-M140 PolarHBondContact O-N 2.96Å; M140-S142 VanDerWaalsContact C-N 3.35Å; M140-K144 VanDerWaalsContact O-CB 3.3Å; M140-K144 WeakPolarHBondContact O-CB 3.25Å; M140-K144 PolarHBondContact O-N 3.03Å
141V97.8Very high95.2Very high90 Ų90116.1 Ų116.155%0.54556%0.557SS.*Hα-helixtrans-66.4-40.6176.9170.60000110.3K137 M138 E139 K144 L145K137-V141 WeakPolarHBondContact O-CB 3.48Å; K137-V141 VanDerWaalsContact O-CG2 3.27Å; K137-V141 WeakPolarHBondContact O-CG2 3.49Å; K137-V141 PolarHBondContact O-N 2.91Å; M138-V141 PolarHBondContact O-N 3.46Å; E139-V141 VanDerWaalsContact C-N 3.34Å; E139-V141 PolarHBondContact O-N 2.97Å; V141-K144 PolarHBondContact O-N 3.49Å; V141-L145 VanDerWaalsContact O-CB 3.25Å; V141-L145 WeakPolarHBondContact O-CB 3.41Å; V141-L145 PolarHBondContact O-N 2.77Å
142S97.8Very high95.7Very high70 Ų70119.4 Ų119.449%0.4956%0.564SS.*Hα-helixtrans-57.8-53.7176.9-172.30000111.3M138 E139 M140 K144 L145 E146M138-S142 VanDerWaalsContact O-CB 3.31Å; M138-S142 WeakPolarHBondContact O-CB 3.41Å; M138-S142 PolarHBondContact O-N 3.16Å; E139-S142 WeakPolarHBondContact O-CB 3.16Å; E139-S142 PolarHBondContact O-N 3.24Å; E139-S142 VanDerWaalsContact O-N 3.15Å; M140-S142 VanDerWaalsContact C-N 3.35Å; S142-K144 VanDerWaalsContact C-N 3.32Å; S142-K144 PolarHBondContact O-N 3.35Å; S142-L145 PolarHBondContact O-N 3.09Å; S142-L145 VanDerWaalsContact O-N 3.14Å; S142-E146 PolarHBondContact O-N 3.14Å
143V97.8Very high96.1Very high89 Ų89115 Ų11554%0.53955%0.548SS..Hα-helixtrans-60.5-41.8178.1174.80000111.4E139 L145 R147E139-V143 WeakPolarHBondContact O-CG2 3.31Å; E139-V143 PolarHBondContact O-N 3.5Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 3.32Å; V143-R147 PolarHBondContact O-N 3.19Å; V143-R147 VanDerWaalsContact O-N 3.13Å
144K98.3Very high96.3Very high138 Ų138114 Ų11460%0.655%0.549SS*.Hα-helixtrans-65.7-38177.7-175.2175.9-176.8175.80112.2M140 V141 S142 K148M140-K144 VanDerWaalsContact O-CB 3.3Å; M140-K144 WeakPolarHBondContact O-CB 3.25Å; M140-K144 PolarHBondContact O-N 3.03Å; V141-K144 PolarHBondContact O-N 3.49Å; S142-K144 VanDerWaalsContact C-N 3.32Å; S142-K144 PolarHBondContact O-N 3.35Å; K144-K148 WeakPolarHBondContact O-CG 2.96Å; K144-K148 PolarHBondContact O-N 3.13Å
145L98.4Very high96.5Very high94 Ų94112.9 Ų112.949%0.49256%0.557SS.*Hα-helixtrans-68.8-46.5178.717959.7000110.6V141 S142 V143 R147 K148 L149V141-L145 VanDerWaalsContact O-CB 3.25Å; V141-L145 WeakPolarHBondContact O-CB 3.41Å; V141-L145 PolarHBondContact O-N 2.77Å; S142-L145 PolarHBondContact O-N 3.09Å; S142-L145 VanDerWaalsContact O-N 3.14Å; V143-L145 VanDerWaalsContact C-N 3.34Å; V143-L145 PolarHBondContact O-N 3.32Å; L145-R147 VanDerWaalsContact C-N 3.3Å; L145-R147 PolarHBondContact O-N 3.29Å; L145-K148 PolarHBondContact O-N 3.27Å; L145-L149 HydrophobicContact CD1-CD1 4.14Å; L145-L149 HydrophobicContact CD1-CG 4.07Å; L145-L149 HydrophobicContact CG-CD1 3.94Å; L145-L149 HydrophobicContact CG-CG 4.31Å; L145-L149 WeakPolarHBondContact O-CG 3.41Å; L145-L149 PolarHBondContact O-N 3.35Å
146E98Very high96.5Very high136 Ų136110.9 Ų110.964%0.63655%0.554SS**Hα-helixtrans-54.9-46.2176-172.6179.6178.700111.5S142 K148 L149 S150S142-E146 PolarHBondContact O-N 3.14Å; E146-K148 VanDerWaalsContact C-N 3.32Å; E146-K148 PolarHBondContact O-N 2.88Å; E146-L149 PolarHBondContact O-N 3.48Å; E146-S150 PolarHBondContact O-N 2.83Å; E146-S150 PolarHBondContact O-OG 3.18Å
147R97.7Very high96.6Very high174 Ų174109.1 Ų109.166%0.65755%0.546SS*.Hα-helixtrans-60.5-36.6174.6-177.5176.3179144.60.9113.5V143 L145 S150V143-R147 PolarHBondContact O-N 3.19Å; V143-R147 VanDerWaalsContact O-N 3.13Å; L145-R147 VanDerWaalsContact C-N 3.3Å; L145-R147 PolarHBondContact O-N 3.29Å; R147-S150 PolarHBondContact O-OG 3.02Å
148K98.1Very high96.6Very high138 Ų138106.9 Ų106.960%0.654%0.539SS*.Hα-helixtrans-74.1-37178-78.8-172.8169.7-1660112K144 L145 E146 S150 Q151 R152K144-K148 WeakPolarHBondContact O-CG 2.96Å; K144-K148 PolarHBondContact O-N 3.13Å; L145-K148 PolarHBondContact O-N 3.27Å; E146-K148 VanDerWaalsContact C-N 3.32Å; E146-K148 PolarHBondContact O-N 2.88Å; K148-S150 VanDerWaalsContact C-N 3.35Å; K148-Q151 CarbonylContact O-C 3.54Å; K148-Q151 PolarHBondContact O-N 3.36Å; K148-R152 PolarHBondContact O-N 3Å
149L97.1Very high96.4Very high99 Ų99104.8 Ų104.852%0.51853%0.527SS..Hα-helixtrans-68.9-34.9178.7-69.9174.4000111.6L145 E146 Q151 R152L145-L149 HydrophobicContact CD1-CD1 4.14Å; L145-L149 HydrophobicContact CD1-CG 4.07Å; L145-L149 HydrophobicContact CG-CD1 3.94Å; L145-L149 HydrophobicContact CG-CG 4.31Å; L145-L149 WeakPolarHBondContact O-CG 3.41Å; L145-L149 PolarHBondContact O-N 3.35Å; E146-L149 PolarHBondContact O-N 3.48Å; L149-Q151 VanDerWaalsContact C-N 3.25Å; L149-Q151 PolarHBondContact O-N 2.79Å; L149-R152 VanDerWaalsContact O-CB 3.22Å; L149-R152 WeakPolarHBondContact O-CB 3.42Å; L149-R152 PolarHBondContact O-N 2.9Å
150S96.6Very high96.2Very high96 Ų96105.1 Ų105.167%0.67153%0.529SS*.Hα-helixtrans-69.5-21.9174.166.10000113.8E146 R147 K148E146-S150 PolarHBondContact O-N 2.83Å; E146-S150 PolarHBondContact O-OG 3.18Å; R147-S150 PolarHBondContact O-OG 3.02Å; K148-S150 VanDerWaalsContact C-N 3.35Å
151Q96.2Very high96.1Very high136 Ų136107.3 Ų107.364%0.63653%0.531SS*.THydrogen-bonded Turntrans-105.421.2175.3-60.2-177.19.700112.5K148 L149 P153K148-Q151 CarbonylContact O-C 3.54Å; K148-Q151 PolarHBondContact O-N 3.36Å; L149-Q151 VanDerWaalsContact C-N 3.25Å; L149-Q151 PolarHBondContact O-N 2.79Å; Q151-P153 WeakPolarHBondContact O-CD 3.44Å
152R97.3Very high95.7Very high190 Ų190109.1 Ų109.172%0.71754%0.538SS*.PPolyproline II helixtrans-68118.6-175.2-176.2177.6-177.4-174.40.5110K148 L149K148-R152 PolarHBondContact O-N 3Å; L149-R152 VanDerWaalsContact O-CB 3.22Å; L149-R152 WeakPolarHBondContact O-CB 3.42Å; L149-R152 PolarHBondContact O-N 2.9Å
153P96.4Very high95.5Very high55 Ų55111.2 Ų111.236%0.35754%0.542SS..PPolyproline II helixtrans-66.2150.3175.828.4-34.1000110.7Q151 E157 L158Q151-P153 WeakPolarHBondContact O-CD 3.44Å; P153-E157 WeakPolarHBondContact CB-OE2 2.98Å; P153-L158 HydrophobicContact CB-CD2 4.36Å; P153-L158 HydrophobicContact CB-CG 4.46Å; P153-L158 HydrophobicContact CG-CD2 4.07Å; P153-L158 HydrophobicContact CG-CG 4.35Å
154T95.5Very high95.1Very high72 Ų72110.6 Ų110.644%0.44254%0.535SS..PPolyproline II helixtrans-74161.7176.768.50000111E156 E157 L158T154-E156 VanDerWaalsContact C-N 3.34Å; T154-E157 PolarHBondContact O-N 3.47Å; T154-E157 WeakPolarHBondContact OG1-CB 3.42Å; T154-E157 VanDerWaalsContact OG1-CG 3.25Å; T154-E157 WeakPolarHBondContact OG1-CG 3.44Å; T154-E157 PolarHBondContact OG1-N 2.79Å; T154-L158 PolarHBondContact O-N 3.36Å
155A94Very high94.5Very high57 Ų57111.6 Ų111.647%0.47154%0.54SS..Hα-helixtrans-61.5-43.6176.900000111.6E157 L158 E159 L164A155-E157 VanDerWaalsContact C-N 3.35Å; A155-E157 PolarHBondContact O-N 3.27Å; A155-L158 WeakPolarHBondContact O-CB 3.37Å; A155-L158 PolarHBondContact O-N 3.31Å; A155-E159 PolarHBondContact O-N 2.79Å; A155-L164 HydrophobicContact CB-CD2 4.04Å
156E92.7Very high93.8Very high122 Ų122111.3 Ų111.357%0.5754%0.539SS*.Hα-helixtrans-60.4-40.5177.9-167.6-170.4160.500112.3T154 L158 E159 Q160T154-E156 VanDerWaalsContact C-N 3.34Å; E156-L158 VanDerWaalsContact C-N 3.27Å; E156-L158 PolarHBondContact O-N 3.45Å; E156-E159 WeakPolarHBondContact O-CB 3.5Å; E156-E159 PolarHBondContact O-N 3.04Å; E156-Q160 VanDerWaalsContact O-CG 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.5Å; E156-Q160 PolarHBondContact O-N 3.31Å; E156-Q160 PolarHBondContact OE1-NE2 3.46Å; E156-Q160 VanDerWaalsContact OE1-NE2 3.15Å
157E95Very high92.8Very high75 Ų75114 Ų11435%0.3555%0.551SS.*Hα-helixtrans-62.6-35174.8-78175.5-167.200112.5P153 T154 A155 R161P153-E157 WeakPolarHBondContact CB-OE2 2.98Å; T154-E157 PolarHBondContact O-N 3.47Å; T154-E157 WeakPolarHBondContact OG1-CB 3.42Å; T154-E157 VanDerWaalsContact OG1-CG 3.25Å; T154-E157 WeakPolarHBondContact OG1-CG 3.44Å; T154-E157 PolarHBondContact OG1-N 2.79Å; A155-E157 VanDerWaalsContact C-N 3.35Å; A155-E157 PolarHBondContact O-N 3.27Å; E157-R161 WeakPolarHBondContact O-CB 3.21Å; E157-R161 WeakPolarHBondContact O-CG 3.47Å; E157-R161 PolarHBondContact O-N 3.04Å; E157-R161 VanDerWaalsContact O-N 3.09Å; E157-R161 IonicContact OE2-NH1 3.89Å
158L95.1Very high91.8Very high47 Ų47111.8 Ų111.825%0.24655%0.552CS.*Hα-helixtrans-73.1-32.9176.9-66.5176.6000111.8P153 T154 A155 E156 N162 I163 L164P153-L158 HydrophobicContact CB-CD2 4.36Å; P153-L158 HydrophobicContact CB-CG 4.46Å; P153-L158 HydrophobicContact CG-CD2 4.07Å; P153-L158 HydrophobicContact CG-CG 4.35Å; T154-L158 PolarHBondContact O-N 3.36Å; A155-L158 WeakPolarHBondContact O-CB 3.37Å; A155-L158 PolarHBondContact O-N 3.31Å; E156-L158 VanDerWaalsContact C-N 3.27Å; E156-L158 PolarHBondContact O-N 3.45Å; L158-N162 PolarHBondContact O-N 3.03Å; L158-I163 HydrophobicContact CB-CB 4.45Å; L158-I163 HydrophobicContact CD2-CB 4.27Å; L158-I163 HydrophobicContact CD2-CD1 3.97Å; L158-I163 HydrophobicContact CD2-CG2 4.32Å; L158-I163 PolarHBondContact O-N 2.85Å; L158-L164 HydrophobicContact CB-CB 3.67Å; L158-L164 PolarHBondContact O-N 3.1Å; L158-L164 VanDerWaalsContact O-N 3.09Å
159E90.9Very high90.8Very high84 Ų84106.4 Ų106.439%0.39353%0.534SS..Hα-helixtrans-66.1-46.3172-70.4166.5-157.900110.9A155 E156 R161 N162 L164A155-E159 PolarHBondContact O-N 2.79Å; E156-E159 WeakPolarHBondContact O-CB 3.5Å; E156-E159 PolarHBondContact O-N 3.04Å; E159-R161 VanDerWaalsContact C-N 3.3Å; E159-R161 PolarHBondContact O-N 3.39Å; E159-N162 WeakPolarHBondContact O-CA 3.19Å; E159-N162 PolarHBondContact O-N 3.43Å; E159-L164 HydrophobicContact CG-CB 4.17Å; E159-L164 HydrophobicContact CG-CD2 4.19Å; E159-L164 HydrophobicContact CG-CG 4.3Å
160Q92.2Very high90Very high134 Ų134106.2 Ų106.263%0.62654%0.538SS*.Hα-helixtrans-61.5-36.4177-69.6166.73.500112.6E156 N162E156-Q160 VanDerWaalsContact O-CG 3.28Å; E156-Q160 WeakPolarHBondContact O-CG 3.5Å; E156-Q160 PolarHBondContact O-N 3.31Å; E156-Q160 PolarHBondContact OE1-NE2 3.46Å; E156-Q160 VanDerWaalsContact OE1-NE2 3.15Å; Q160-N162 PolarHBondContact O-N 3.43Å
161R95.2Very high89.3Confident158 Ų158104.3 Ų104.360%0.59653%0.528SS*.THydrogen-bonded Turntrans-78.80.5172.9-70.2-173.9179.9115.1-0.6113.5E157 E159 I163E157-R161 WeakPolarHBondContact O-CB 3.21Å; E157-R161 WeakPolarHBondContact O-CG 3.47Å; E157-R161 PolarHBondContact O-N 3.04Å; E157-R161 VanDerWaalsContact O-N 3.09Å; E157-R161 IonicContact OE2-NH1 3.89Å; E159-R161 VanDerWaalsContact C-N 3.3Å; E159-R161 PolarHBondContact O-N 3.39Å; R161-I163 HydrophobicContact CB-CD1 3.9Å; R161-I163 HydrophobicContact CB-CG1 4Å; R161-I163 PolarHBondContact O-N 3.5Å
162N90.1Very high88.7Confident128 Ų128103 Ų10368%0.68452%0.523SS*.THydrogen-bonded Turntrans57.735.3-178.4-172.469.9000112.7L158 E159 Q160L158-N162 PolarHBondContact O-N 3.03Å; E159-N162 WeakPolarHBondContact O-CA 3.19Å; E159-N162 PolarHBondContact O-N 3.43Å; Q160-N162 PolarHBondContact O-N 3.43Å
163I92.3Very high88.2Confident114 Ų11495.9 Ų95.959%0.58551%0.506SS*.  trans-96.9-51.2175.3-60.1172000109.7L158 R161L158-I163 HydrophobicContact CB-CB 4.45Å; L158-I163 HydrophobicContact CD2-CB 4.27Å; L158-I163 HydrophobicContact CD2-CD1 3.97Å; L158-I163 HydrophobicContact CD2-CG2 4.32Å; L158-I163 PolarHBondContact O-N 2.85Å; R161-I163 HydrophobicContact CB-CD1 3.9Å; R161-I163 HydrophobicContact CB-CG1 4Å; R161-I163 PolarHBondContact O-N 3.5Å
164L89.1Confident87.9Confident76 Ų76100.8 Ų100.840%0.39852%0.521SS..SBendtrans-84.8131.1171.8-172.861.8000108.2A155 L158 E159A155-L164 HydrophobicContact CB-CD2 4.04Å; L158-L164 HydrophobicContact CB-CB 3.67Å; L158-L164 PolarHBondContact O-N 3.1Å; L158-L164 VanDerWaalsContact O-N 3.09Å; E159-L164 HydrophobicContact CG-CB 4.17Å; E159-L164 HydrophobicContact CG-CD2 4.19Å; E159-L164 HydrophobicContact CG-CG 4.3Å
165K87.8Confident87.7Confident159 Ų159103.2 Ų103.269%0.69153%0.528SS*.  trans-111.6132.7176.6-60.7177.8-177.5176.60107.7
166D83Confident87.5Confident88 Ų88105.4 Ų105.447%0.47153%0.53SS..  trans-62.5142.4174.3-40.7-30.3000109.5N168 A169D166-N168 PolarHBondContact O-N 3.24Å; D166-A169 HydrophobicContact CB-CB 3.89Å; D166-A169 WeakPolarHBondContact O-CA 3.47Å; D166-A169 WeakPolarHBondContact O-CB 3.25Å; D166-A169 PolarHBondContact O-N 3.3Å
167E77.2Confident87.6Confident193 Ų193105.7 Ų105.790%0.90253%0.532SS*.THydrogen-bonded Turntrans-62.5-28.4179-61.4-171.913800111.7A169 P170E167-A169 VanDerWaalsContact C-N 3.34Å; E167-P170 WeakPolarHBondContact O-CD 3.18Å
168N76.7Confident87.6Confident126 Ų126107 Ų10767%0.67454%0.538SS*.THydrogen-bonded Turntrans-84.4-6.9173-129.455.3000113.2D166 M172D166-N168 PolarHBondContact O-N 3.24Å; N168-M172 PolarHBondContact O-N 2.94Å
169A76.1Confident87.6Confident25 Ų25110 Ų11021%0.20755%0.551CS.*Hα-helixtrans-64.2-32.3-178.400000115.3D166 E167 A171 M172 A173D166-A169 HydrophobicContact CB-CB 3.89Å; D166-A169 WeakPolarHBondContact O-CA 3.47Å; D166-A169 WeakPolarHBondContact O-CB 3.25Å; D166-A169 PolarHBondContact O-N 3.3Å; E167-A169 VanDerWaalsContact C-N 3.34Å; A169-A171 PolarHBondContact O-N 3.23Å; A169-M172 PolarHBondContact O-N 3.32Å; A169-A173 WeakPolarHBondContact O-CA 3.48Å; A169-A173 WeakPolarHBondContact O-CB 3.38Å; A169-A173 PolarHBondContact O-N 2.98Å
170P79.9Confident87.8Confident95 Ų95112.9 Ų112.962%0.61756%0.558SS**Hα-helixtrans-66.5-40-175.824.7-31.4000111.9E167 K174E167-P170 WeakPolarHBondContact O-CD 3.18Å; P170-K174 WeakPolarHBondContact O-CB 3.44Å; P170-K174 PolarHBondContact O-N 2.86Å; P170-K174 VanDerWaalsContact O-N 3.14Å
171A82.6Confident88Confident56 Ų56114.9 Ų114.946%0.46356%0.56SS.*Hα-helixtrans-68.5-49.8175.800000111.3A169 A173 K174 Q175A169-A171 PolarHBondContact O-N 3.23Å; A171-A173 PolarHBondContact O-N 2.97Å; A171-K174 PolarHBondContact O-N 3.47Å; A171-Q175 WeakPolarHBondContact O-CG 3.36Å; A171-Q175 PolarHBondContact O-N 3.43Å
172M83.9Confident88.1Confident108 Ų108114.4 Ų114.453%0.53256%0.558SS.*Hα-helixtrans-63.9-39.6179.4-69.9-63.6-74.500112.4N168 A169 Q175 M176N168-M172 PolarHBondContact O-N 2.94Å; A169-M172 PolarHBondContact O-N 3.32Å; M172-Q175 PolarHBondContact O-N 3.09Å; M172-M176 VanDerWaalsContact O-CB 3.22Å; M172-M176 WeakPolarHBondContact O-CB 3.48Å; M172-M176 PolarHBondContact O-N 2.89Å
173A86.6Confident88.4Confident42 Ų42111.1 Ų111.135%0.34754%0.542SS..Hα-helixtrans-66.7-38.2177.700000111.8A169 A171 M176 M177A169-A173 WeakPolarHBondContact O-CA 3.48Å; A169-A173 WeakPolarHBondContact O-CB 3.38Å; A169-A173 PolarHBondContact O-N 2.98Å; A171-A173 PolarHBondContact O-N 2.97Å; A173-M176 PolarHBondContact O-N 3.27Å; A173-M177 WeakPolarHBondContact O-CB 3.18Å; A173-M177 PolarHBondContact O-N 3.25Å
174K89.4Confident88.6Confident158 Ų158110.5 Ų110.569%0.68754%0.54SS*.Hα-helixtrans-63.8-46.9173.7-174.6180178.1-176.90111P170 A171 M177 E178P170-K174 WeakPolarHBondContact O-CB 3.44Å; P170-K174 PolarHBondContact O-N 2.86Å; P170-K174 VanDerWaalsContact O-N 3.14Å; A171-K174 PolarHBondContact O-N 3.47Å; K174-M177 PolarHBondContact O-N 2.85Å; K174-E178 PolarHBondContact O-N 2.88Å
175Q91.6Very high88.9Confident123 Ų123111.9 Ų111.958%0.57555%0.547SS*.Hα-helixtrans-61.6-44.8175.6-69.1-178.312.500111.7A171 M172 M177 E178 H179A171-Q175 WeakPolarHBondContact O-CG 3.36Å; A171-Q175 PolarHBondContact O-N 3.43Å; M172-Q175 PolarHBondContact O-N 3.09Å; Q175-M177 VanDerWaalsContact C-N 3.33Å; Q175-M177 PolarHBondContact O-N 3.41Å; Q175-E178 PolarHBondContact O-N 3.35Å; Q175-H179 WeakPolarHBondContact O-CB 3.22Å; Q175-H179 PolarHBondContact O-N 3.29Å
176M91Very high89.2Confident103 Ų103110 Ų11051%0.50754%0.536SS..Hα-helixtrans-66.6-34.4178.1-174.1166.261.900112M172 A173 R180M172-M176 VanDerWaalsContact O-CB 3.22Å; M172-M176 WeakPolarHBondContact O-CB 3.48Å; M172-M176 PolarHBondContact O-N 2.89Å; A173-M176 PolarHBondContact O-N 3.27Å; M176-R180 VanDerWaalsContact O-CB 3.26Å; M176-R180 WeakPolarHBondContact O-CB 3.47Å; M176-R180 WeakPolarHBondContact O-CG 3.48Å; M176-R180 PolarHBondContact O-N 2.98Å; M176-R180 PolarHBondContact O-NE 2.84Å
177M93.1Very high89.9Confident128 Ų128113.4 Ų113.463%0.63155%0.546SS*.Hα-helixtrans-67.8-43.7173.1-176.1-178-68.200111.2A173 K174 Q175 R180 R181A173-M177 WeakPolarHBondContact O-CB 3.18Å; A173-M177 PolarHBondContact O-N 3.25Å; K174-M177 PolarHBondContact O-N 2.85Å; Q175-M177 VanDerWaalsContact C-N 3.33Å; Q175-M177 PolarHBondContact O-N 3.41Å; M177-R180 PolarHBondContact O-N 3.16Å; M177-R181 WeakPolarHBondContact O-CB 3.4Å; M177-R181 PolarHBondContact O-N 3.44Å
178E95Very high90.6Very high102 Ų102108.9 Ų108.948%0.47753%0.528SS..Hα-helixtrans-64.8-43.3176.6-164.2-166143.600111.5K174 Q175 R181 R182K174-E178 PolarHBondContact O-N 2.88Å; Q175-E178 PolarHBondContact O-N 3.35Å; E178-R181 WeakPolarHBondContact O-CB 3.3Å; E178-R181 PolarHBondContact O-N 3.37Å; E178-R182 WeakPolarHBondContact O-CB 3.48Å; E178-R182 PolarHBondContact O-N 3.43Å; E178-R182 IonicContact OE1-CZ 3.43Å; E178-R182 IonicContact OE1-NH2 3.78Å; E178-R182 PolarHBondContact OE1-NH2 3.09Å
179H95.1Very high91.4Very high110 Ų110106.5 Ų106.551%0.50952%0.521SS..Hα-helixtrans-60-49.9174.4-177.977.4000111.2Q175 R181 R182 V183Q175-H179 WeakPolarHBondContact O-CB 3.22Å; Q175-H179 PolarHBondContact O-N 3.29Å; H179-R181 VanDerWaalsContact C-N 3.32Å; H179-R181 PolarHBondContact O-N 3.29Å; H179-R182 PolarHBondContact O-N 2.91Å; H179-R182 VanDerWaalsContact O-N 3.16Å; H179-V183 WeakPolarHBondContact O-CG2 2.91Å; H179-V183 PolarHBondContact O-N 3.4Å
180R96.4Very high92.1Very high144 Ų144110.9 Ų110.954%0.54354%0.536SS..Hα-helixtrans-56.3-44.5174.8-79.3-175.5-76.3-174.5-4.6111.7M176 M177 L184M176-R180 VanDerWaalsContact O-CB 3.26Å; M176-R180 WeakPolarHBondContact O-CB 3.47Å; M176-R180 WeakPolarHBondContact O-CG 3.48Å; M176-R180 PolarHBondContact O-N 2.98Å; M176-R180 PolarHBondContact O-NE 2.84Å; M177-R180 PolarHBondContact O-N 3.16Å; R180-L184 WeakPolarHBondContact O-CB 3.32Å; R180-L184 PolarHBondContact O-N 2.82Å
181R96.2Very high92.8Very high177 Ų177115.1 Ų115.167%0.66854%0.539SS*.Hα-helixtrans-60.6-46.6175.9-178.5-176.7-178.6-178.81.4111.7M177 E178 H179 L184 L185M177-R181 WeakPolarHBondContact O-CB 3.4Å; M177-R181 PolarHBondContact O-N 3.44Å; E178-R181 WeakPolarHBondContact O-CB 3.3Å; E178-R181 PolarHBondContact O-N 3.37Å; H179-R181 VanDerWaalsContact C-N 3.32Å; H179-R181 PolarHBondContact O-N 3.29Å; R181-L184 PolarHBondContact O-N 2.86Å; R181-L185 HydrophobicContact CG-CD1 4.16Å; R181-L185 WeakPolarHBondContact O-CB 3.38Å; R181-L185 VanDerWaalsContact O-CG 3.3Å; R181-L185 WeakPolarHBondContact O-CG 3.34Å; R181-L185 PolarHBondContact O-N 3.36Å
182R96.2Very high93.2Very high148 Ų148115 Ų11556%0.55853%0.533SS*.Hα-helixtrans-64.1-48.6-178.8-167.8-173.1-56.9158.22.2111.6E178 H179 L184 L185 R186E178-R182 WeakPolarHBondContact O-CB 3.48Å; E178-R182 PolarHBondContact O-N 3.43Å; E178-R182 IonicContact OE1-CZ 3.43Å; E178-R182 IonicContact OE1-NH2 3.78Å; E178-R182 PolarHBondContact OE1-NH2 3.09Å; H179-R182 PolarHBondContact O-N 2.91Å; H179-R182 VanDerWaalsContact O-N 3.16Å; R182-L184 VanDerWaalsContact C-N 3.34Å; R182-L185 PolarHBondContact O-N 3.29Å; R182-R186 PolarHBondContact O-N 3.25Å
183V96.8Very high93.5Very high58 Ų58113 Ų11335%0.35253%0.528SS..Hα-helixtrans-62-43.7176.9172.70000110.8H179 R186 K187H179-V183 WeakPolarHBondContact O-CG2 2.91Å; H179-V183 PolarHBondContact O-N 3.4Å; V183-R186 PolarHBondContact O-N 3.41Å; V183-K187 PolarHBondContact O-N 2.89Å
184L97Very high93.4Very high102 Ų102113.7 Ų113.753%0.53453%0.525SS..Hα-helixtrans-61.2-47.1177.7179.761000111.6R180 R181 R182 R186 K187 L188R180-L184 WeakPolarHBondContact O-CB 3.32Å; R180-L184 PolarHBondContact O-N 2.82Å; R181-L184 PolarHBondContact O-N 2.86Å; R182-L184 VanDerWaalsContact C-N 3.34Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.31Å; L184-K187 PolarHBondContact O-N 2.93Å; L184-L188 HydrophobicContact CD1-CD1 4.02Å; L184-L188 HydrophobicContact CD1-CG 4.04Å; L184-L188 HydrophobicContact CG-CD1 3.94Å; L184-L188 HydrophobicContact CG-CG 4.36Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.49Å; L184-L188 PolarHBondContact O-N 3.22Å
185L95Very high93.4Very high104 Ų104113.5 Ų113.555%0.54553%0.527SS..Hα-helixtrans-60.3-41.6176.9-73.3172.6000112R181 R182 L188 S189R181-L185 HydrophobicContact CG-CD1 4.16Å; R181-L185 WeakPolarHBondContact O-CB 3.38Å; R181-L185 VanDerWaalsContact O-CG 3.3Å; R181-L185 WeakPolarHBondContact O-CG 3.34Å; R181-L185 PolarHBondContact O-N 3.36Å; R182-L185 PolarHBondContact O-N 3.29Å; L185-L188 PolarHBondContact O-N 3.34Å; L185-S189 PolarHBondContact O-N 3.31Å
186R95.1Very high93.3Very high121 Ų121111.3 Ų111.346%0.45752%0.516SS..Hα-helixtrans-62.5-44.6173.9-175.2-177.3-179.41745.3111.7L28 R182 V183 L184 S189 F190L28-R186 PolarHBondContact O-NH2 3.49Å; L28-R186 VanDerWaalsContact O-NH2 3.16Å; R182-R186 PolarHBondContact O-N 3.25Å; V183-R186 PolarHBondContact O-N 3.41Å; L184-R186 VanDerWaalsContact C-N 3.33Å; L184-R186 PolarHBondContact O-N 3.31Å; R186-S189 PolarHBondContact O-N 2.71Å; R186-S189 PolarHBondContact O-OG 2.8Å; R186-F190 HydrophobicContact CG-CD2 4.47Å; R186-F190 HydrophobicContact CG-CE2 4.33Å; R186-F190 VanDerWaalsContact O-CD2 3.3Å; R186-F190 WeakPolarHBondContact O-CD2 3.35Å; R186-F190 PolarHBondContact O-N 3.41Å
187K96.2Very high93.3Very high159 Ų159107.7 Ų107.769%0.69150%0.499SS*.Hα-helixtrans-66.7-36.9178.2-74.7-155.8173.9-168.30112.3V183 L184 S189 F190V183-K187 PolarHBondContact O-N 2.89Å; L184-K187 PolarHBondContact O-N 2.93Å; K187-S189 VanDerWaalsContact C-N 3.34Å; K187-F190 CarbonylContact O-C 3.41Å; K187-F190 PolarHBondContact O-N 2.95Å
188L93.1Very high93Very high98 Ų98105.9 Ų105.951%0.51349%0.487SS..Hα-helixtrans-70.6-27.5177-70.2175.8000113L184 L185 F190 R191L184-L188 HydrophobicContact CD1-CD1 4.02Å; L184-L188 HydrophobicContact CD1-CG 4.04Å; L184-L188 HydrophobicContact CG-CD1 3.94Å; L184-L188 HydrophobicContact CG-CG 4.36Å; L184-L188 WeakPolarHBondContact O-CB 3.39Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.49Å; L184-L188 PolarHBondContact O-N 3.22Å; L185-L188 PolarHBondContact O-N 3.34Å; L188-F190 VanDerWaalsContact C-N 3.3Å; L188-R191 VanDerWaalsContact O-CB 3.22Å; L188-R191 WeakPolarHBondContact O-CB 3.43Å; L188-R191 PolarHBondContact O-N 2.87Å
189S92.5Very high92.8Very high76 Ų76108.8 Ų108.853%0.53150%0.501SS..Hα-helixtrans-71-26.3173.863.60000113.1L185 R186 K187 R191L185-S189 PolarHBondContact O-N 3.31Å; R186-S189 PolarHBondContact O-N 2.71Å; R186-S189 PolarHBondContact O-OG 2.8Å; K187-S189 VanDerWaalsContact C-N 3.34Å; S189-R191 VanDerWaalsContact C-N 3.32Å
190F92.2Very high92.7Very high117 Ų117111.9 Ų111.951%0.51351%0.508SS..THydrogen-bonded Turntrans-98.836.7172.1-65.3-73.5000111.7R186 K187 L188 P192R186-F190 HydrophobicContact CG-CD2 4.47Å; R186-F190 HydrophobicContact CG-CE2 4.33Å; R186-F190 VanDerWaalsContact O-CD2 3.3Å; R186-F190 WeakPolarHBondContact O-CD2 3.35Å; R186-F190 PolarHBondContact O-N 3.41Å; K187-F190 CarbonylContact O-C 3.41Å; K187-F190 PolarHBondContact O-N 2.95Å; L188-F190 VanDerWaalsContact C-N 3.3Å; F190-P192 WeakPolarHBondContact O-CD 3.38Å
191R93.7Very high92.4Very high184 Ų184113.5 Ų113.569%0.69452%0.522SS*.PPolyproline II helixtrans-75.1118176-177.8172.7-176.4-109-0.2109.2L188 S189L188-R191 VanDerWaalsContact O-CB 3.22Å; L188-R191 WeakPolarHBondContact O-CB 3.43Å; L188-R191 PolarHBondContact O-N 2.87Å; S189-R191 VanDerWaalsContact C-N 3.32Å
192P91.2Very high92Very high52 Ų52110.4 Ų110.434%0.33852%0.518SS..PPolyproline II helixtrans-65.6150.3178.927.7-34.5000111F190 E196 L197F190-P192 WeakPolarHBondContact O-CD 3.38Å; P192-E196 VanDerWaalsContact CA-OE2 3.29Å; P192-E196 WeakPolarHBondContact CA-OE2 3.26Å; P192-E196 HydrophobicContact CB-CB 4.48Å; P192-E196 WeakPolarHBondContact CB-OE2 3.48Å; P192-L197 HydrophobicContact CB-CD2 4.28Å; P192-L197 HydrophobicContact CB-CG 4.32Å; P192-L197 HydrophobicContact CG-CD1 4.45Å; P192-L197 HydrophobicContact CG-CD2 3.96Å; P192-L197 HydrophobicContact CG-CG 4.23Å
193T89.5Confident91.4Very high67 Ų67104 Ų10441%0.41149%0.494SS..PPolyproline II helixtrans-74.9162.8174.762.20000111.2E195 E196 L197T193-E195 PolarHBondContact O-N 3.38Å; T193-E196 PolarHBondContact N-OE2 3.42Å; T193-E196 PolarHBondContact O-N 3.49Å; T193-E196 VanDerWaalsContact OG1-CG 3.22Å; T193-E196 WeakPolarHBondContact OG1-CG 3.22Å; T193-E196 PolarHBondContact OG1-N 3.27Å; T193-E196 PolarHBondContact OG1-OE1 2.86Å; T193-L197 WeakPolarHBondContact O-CG 3.28Å; T193-L197 PolarHBondContact O-N 2.83Å
194I85.6Confident90.7Very high56 Ų56108.9 Ų108.929%0.28751%0.511SS..Hα-helixtrans-63.9-36177.4-65.9165.2000110.5L197 K198 Y208 V211I194-L197 PolarHBondContact O-N 2.87Å; I194-K198 HydrophobicContact CG2-CD 4.34Å; I194-K198 WeakPolarHBondContact O-CG 3.25Å; I194-K198 PolarHBondContact O-N 3.26Å; I194-Y208 HydrophobicContact CG1-CD2 4.3Å; I194-Y208 HydrophobicContact CG2-CD2 4.07Å; I194-V211 HydrophobicContact CD1-CG2 3.71Å
195E87.9Confident89.3Confident155 Ų155111 Ų11172%0.72452%0.516SS*.Hα-helixtrans-63.6-47.2177.8-65.6174.3-176.100111.4T193 L197 K198 E199T193-E195 PolarHBondContact O-N 3.38Å; E195-L197 VanDerWaalsContact C-N 3.29Å; E195-L197 PolarHBondContact O-N 2.94Å; E195-K198 WeakPolarHBondContact O-CB 3.49Å; E195-K198 PolarHBondContact O-N 3.2Å; E195-K198 VanDerWaalsContact O-N 3.1Å; E195-E199 PolarHBondContact O-N 3.02Å
196E91Very high88.1Confident77 Ų77112.9 Ų112.936%0.3653%0.526SS..Hα-helixtrans-58.3-39.6174.7-74.1160.3-139.800112.6P192 T193 E199 R200P192-E196 VanDerWaalsContact CA-OE2 3.29Å; P192-E196 WeakPolarHBondContact CA-OE2 3.26Å; P192-E196 HydrophobicContact CB-CB 4.48Å; P192-E196 WeakPolarHBondContact CB-OE2 3.48Å; T193-E196 PolarHBondContact N-OE2 3.42Å; T193-E196 PolarHBondContact O-N 3.49Å; T193-E196 VanDerWaalsContact OG1-CG 3.22Å; T193-E196 WeakPolarHBondContact OG1-CG 3.22Å; T193-E196 PolarHBondContact OG1-N 3.27Å; T193-E196 PolarHBondContact OG1-OE1 2.86Å; E196-E199 PolarHBondContact O-N 2.92Å; E196-R200 WeakPolarHBondContact O-CG 3.22Å; E196-R200 PolarHBondContact O-N 2.87Å; E196-R200 VanDerWaalsContact O-N 3.07Å
197L90.8Very high87Confident27 Ų27112.6 Ų112.614%0.14153%0.534CS..Hα-helixtrans-69.3-33.9177.5-67.9176000112.3P192 T193 I194 E195 Q201 I202 I203 Y208P192-L197 HydrophobicContact CB-CD2 4.28Å; P192-L197 HydrophobicContact CB-CG 4.32Å; P192-L197 HydrophobicContact CG-CD1 4.45Å; P192-L197 HydrophobicContact CG-CD2 3.96Å; P192-L197 HydrophobicContact CG-CG 4.23Å; T193-L197 WeakPolarHBondContact O-CG 3.28Å; T193-L197 PolarHBondContact O-N 2.83Å; I194-L197 PolarHBondContact O-N 2.87Å; E195-L197 VanDerWaalsContact C-N 3.29Å; E195-L197 PolarHBondContact O-N 2.94Å; L197-Q201 PolarHBondContact O-N 2.78Å; L197-I202 HydrophobicContact CD2-CB 4.31Å; L197-I202 HydrophobicContact CD2-CD1 3.85Å; L197-I202 HydrophobicContact CD2-CG2 4.32Å; L197-I202 PolarHBondContact O-N 3.3Å; L197-I203 HydrophobicContact CB-CG2 3.6Å; L197-Y208 HydrophobicContact CD1-CE2 4.12Å
198K86.6Confident85.5Confident89 Ų89110.2 Ų110.239%0.38752%0.521SS..Hα-helixtrans-67.8-43.4174.6-75.5175.5176.8179.10110.9I194 E195 R200 Q201 I203I194-K198 HydrophobicContact CG2-CD 4.34Å; I194-K198 WeakPolarHBondContact O-CG 3.25Å; I194-K198 PolarHBondContact O-N 3.26Å; E195-K198 WeakPolarHBondContact O-CB 3.49Å; E195-K198 PolarHBondContact O-N 3.2Å; E195-K198 VanDerWaalsContact O-N 3.1Å; K198-R200 VanDerWaalsContact C-N 3.32Å; K198-R200 PolarHBondContact O-N 3.34Å; K198-Q201 PolarHBondContact O-N 3.16Å; K198-I203 HydrophobicContact CG-CG2 4.08Å
199E91.6Very high84.2Confident163 Ų163111.8 Ų111.876%0.76254%0.535SS*.Hα-helixtrans-61.5-41176.7-174.5177-162.100111.6E195 E196 Q201E195-E199 PolarHBondContact O-N 3.02Å; E196-E199 PolarHBondContact O-N 2.92Å; E199-Q201 PolarHBondContact O-N 3.15Å
200R92.6Very high83.1Confident176 Ų176115.2 Ų115.266%0.66454%0.542SS*.THydrogen-bonded Turntrans-76.12.5174.7-67.2-178.6-178.3173.33.3114.5E196 K198 I202E196-R200 WeakPolarHBondContact O-CG 3.22Å; E196-R200 PolarHBondContact O-N 2.87Å; E196-R200 VanDerWaalsContact O-N 3.07Å; K198-R200 VanDerWaalsContact C-N 3.32Å; K198-R200 PolarHBondContact O-N 3.34Å; R200-I202 HydrophobicContact CB-CD1 3.89Å; R200-I202 HydrophobicContact CB-CG1 3.95Å; R200-I202 PolarHBondContact O-N 2.85Å
201Q89.6Confident82Confident178 Ų178114.7 Ų114.783%0.83255%0.548SS*.THydrogen-bonded Turntrans52.927.3-177.3-55.9-165.9-45.800114.6L197 K198 E199L197-Q201 PolarHBondContact O-N 2.78Å; K198-Q201 PolarHBondContact O-N 3.16Å; E199-Q201 PolarHBondContact O-N 3.15Å
202I88.1Confident80.6Confident112 Ų112110.9 Ų110.957%0.57455%0.546SS*.SBendtrans-76.6-32.7177.6-66.1171.6000110.4L197 R200L197-I202 HydrophobicContact CD2-CB 4.31Å; L197-I202 HydrophobicContact CD2-CD1 3.85Å; L197-I202 HydrophobicContact CD2-CG2 4.32Å; L197-I202 PolarHBondContact O-N 3.3Å; R200-I202 HydrophobicContact CB-CD1 3.89Å; R200-I202 HydrophobicContact CB-CG1 3.95Å; R200-I202 PolarHBondContact O-N 2.85Å
203I82.8Confident79.4Confident13 Ų13116.2 Ų116.27%0.06757%0.572CS.*SBendtrans-127.4137.6-175-162.6-106.1000111.5L197 K198 D207 Y208L197-I203 HydrophobicContact CB-CG2 3.6Å; K198-I203 HydrophobicContact CG-CG2 4.08Å; I203-D207 HydrophobicContact CD1-CB 3.94Å; I203-D207 HydrophobicContact CG1-CB 4.03Å; I203-Y208 HydrophobicContact CB-CD2 4.35Å; I203-Y208 HydrophobicContact CB-CE2 3.66Å; I203-Y208 HydrophobicContact CD1-CD1 4.19Å; I203-Y208 HydrophobicContact CD1-CD2 2.98Å; I203-Y208 HydrophobicContact CD1-CE1 4.36Å; I203-Y208 HydrophobicContact CD1-CE2 3.18Å; I203-Y208 HydrophobicContact CD1-CG 3.48Å; I203-Y208 VanDerWaalsContact CD1-CG 3.48Å; I203-Y208 HydrophobicContact CG1-CD2 3.6Å; I203-Y208 HydrophobicContact CG1-CE1 4.19Å; I203-Y208 HydrophobicContact CG1-CE2 3.17Å; I203-Y208 HydrophobicContact CG1-CG 4.2Å; I203-Y208 VanDerWaalsContact CG1-CZ 3.48Å; I203-Y208 HydrophobicContact CG2-CD2 4.19Å; I203-Y208 HydrophobicContact CG2-CE2 3.69Å
204K82.7Confident78.3Confident161 Ų161116.7 Ų116.770%0.758%0.583SS**  trans-95.3143.3177.3-64.3177.4-176.7176.90109.8N206 D207K204-N206 PolarHBondContact O-N 3.31Å; K204-D207 PolarHBondContact O-N 3.11Å
205F66.8Low77.7Confident146 Ų146122.3 Ų122.364%0.6461%0.608SS**THydrogen-bonded Turntrans-47.4-23.8-171.5-177.7-99.9000116.1
206N70.4Confident76.9Confident143 Ų143124.4 Ų124.477%0.76562%0.62SS**THydrogen-bonded Turntrans-85.9-12.6-178.5-58.5-30.8000115.3K204K204-N206 PolarHBondContact O-N 3.31Å
207D72.9Confident76.1Confident115 Ų115128.2 Ų128.262%0.61563%0.632SS**SBendtrans-89.7-15.5-170.6-67.7-21.3000114.1I203 K204I203-D207 HydrophobicContact CD1-CB 3.94Å; I203-D207 HydrophobicContact CG1-CB 4.03Å; K204-D207 PolarHBondContact O-N 3.11Å
208Y64.1Low75.4Confident109 Ų109132 Ų13243%0.42765%0.653SS.*  trans-111.6123.3176.3-68.4-35.4000111.7I194 L197 I203 E210I194-Y208 HydrophobicContact CG1-CD2 4.3Å; I194-Y208 HydrophobicContact CG2-CD2 4.07Å; L197-Y208 HydrophobicContact CD1-CE2 4.12Å; I203-Y208 HydrophobicContact CB-CD2 4.35Å; I203-Y208 HydrophobicContact CB-CE2 3.66Å; I203-Y208 HydrophobicContact CD1-CD1 4.19Å; I203-Y208 HydrophobicContact CD1-CD2 2.98Å; I203-Y208 HydrophobicContact CD1-CE1 4.36Å; I203-Y208 HydrophobicContact CD1-CE2 3.18Å; I203-Y208 HydrophobicContact CD1-CG 3.48Å; I203-Y208 VanDerWaalsContact CD1-CG 3.48Å; I203-Y208 HydrophobicContact CG1-CD2 3.6Å; I203-Y208 HydrophobicContact CG1-CE1 4.19Å; I203-Y208 HydrophobicContact CG1-CE2 3.17Å; I203-Y208 HydrophobicContact CG1-CG 4.2Å; I203-Y208 VanDerWaalsContact CG1-CZ 3.48Å; I203-Y208 HydrophobicContact CG2-CD2 4.19Å; I203-Y208 HydrophobicContact CG2-CE2 3.69Å; Y208-E210 PolarHBondContact O-N 2.77Å
209V65.5Low75Confident132 Ų132136.5 Ų136.580%0.867%0.667SS**  trans-61.3124.8158.2-175.40000106.4V211V209-V211 PolarHBondContact O-N 2.8Å
210E69.7Low74.2Confident147 Ų147139 Ų13969%0.68767%0.67SS**  trans-46129.5172.4-63.4-178.5168.500108.7Y208 T212Y208-E210 PolarHBondContact O-N 2.77Å; E210-T212 PolarHBondContact O-N 2.77Å
211V69.3Low73.2Confident106 Ų106133.3 Ų133.364%0.64266%0.66SS**  trans-72.478.5176.3179.80000106.9I194 V209I194-V211 HydrophobicContact CD1-CG2 3.71Å; V209-V211 PolarHBondContact O-N 2.8Å
212T63Low72.4Confident105 Ų105129.5 Ų129.564%0.64465%0.645SS**  trans-66.1137.6167.941.80000108.4E210 A214E210-T212 PolarHBondContact O-N 2.77Å; T212-A214 PolarHBondContact O-N 3.39Å
213N66.3Low72.1Confident163 Ų163129.2 Ų129.287%0.87264%0.64SS**  trans-55.6106.2172.6-72.4-28.8000108.6E215N213-E215 PolarHBondContact O-N 2.89Å
214A66.3Low71.8Confident78 Ų78133.2 Ų133.265%0.64567%0.667SS**  trans-65.7129.3172.900000108.1T212 M216T212-A214 PolarHBondContact O-N 3.39Å; A214-M216 PolarHBondContact O-N 3.36Å
215E74.1Confident71.8Confident174 Ų174133.5 Ų133.581%0.81366%0.663SS**  trans-53.4130.2170.9-68.6-178.1165.400109.1N213 Y217N213-E215 PolarHBondContact O-N 2.89Å; E215-Y217 VanDerWaalsContact C-N 3.25Å; E215-Y217 WeakPolarHBondContact O-CD1 3.46Å; E215-Y217 PolarHBondContact O-N 3.03Å
216M71.1Confident72.5Confident199 Ų199129.6 Ų129.698%0.9866%0.658SS**  trans-71.286.5172.9-82.1-176.4178.400108.7A214A214-M216 PolarHBondContact O-N 3.36Å
217Y73.6Confident73Confident157 Ų157131 Ų13162%0.61665%0.653SS**  trans-91.2143.8163.469.1-86.4000109.7E215 R219E215-Y217 VanDerWaalsContact C-N 3.25Å; E215-Y217 WeakPolarHBondContact O-CD1 3.46Å; E215-Y217 PolarHBondContact O-N 3.03Å; Y217-R219 HydrophobicContact CD2-CG 4.22Å; Y217-R219 HydrophobicContact CE2-CG 3.73Å; Y217-R219 PolarHBondContact O-N 3.35Å; Y217-R219 VanDerWaalsContact O-N 3.09Å
218D77.1Confident73.5Confident107 Ų107128 Ų12857%0.57264%0.636SS**  trans-69.9106.9178.9-175.18.9000110.7R220 A221D218-R220 PolarHBondContact O-N 3.43Å; D218-R220 WeakPolarHBondContact OD1-CA 3.26Å; D218-R220 VanDerWaalsContact OD1-CB 3.25Å; D218-R220 WeakPolarHBondContact OD1-CB 3.32Å; D218-R220 PolarHBondContact OD1-N 3.44Å; D218-A221 WeakPolarHBondContact O-CB 3.32Å; D218-A221 PolarHBondContact O-N 3.38Å
219R76.5Confident74.5Confident183 Ų183125.9 Ų125.969%0.69164%0.635SS**THydrogen-bonded Turntrans-74.9-12.4175.8-62.7-176.5-176.9177.32113.3Y217Y217-R219 HydrophobicContact CD2-CG 4.22Å; Y217-R219 HydrophobicContact CE2-CG 3.73Å; Y217-R219 PolarHBondContact O-N 3.35Å; Y217-R219 VanDerWaalsContact O-N 3.09Å
220R75.7Confident75.5Confident216 Ų216124.4 Ų124.482%0.81563%0.628SS**THydrogen-bonded Turntrans-85.7-15177.6-56.9176.869.6-173.30.8111.9D218 D222D218-R220 PolarHBondContact O-N 3.43Å; D218-R220 WeakPolarHBondContact OD1-CA 3.26Å; D218-R220 VanDerWaalsContact OD1-CB 3.25Å; D218-R220 WeakPolarHBondContact OD1-CB 3.32Å; D218-R220 PolarHBondContact OD1-N 3.44Å; R220-D222 PolarHBondContact O-N 3.32Å
221A71.2Confident76.3Confident55 Ų55125.6 Ų125.646%0.45563%0.631SS.*SBendtrans-50.6141.2171.700000110.3D218 K223D218-A221 WeakPolarHBondContact O-CB 3.32Å; D218-A221 PolarHBondContact O-N 3.38Å; A221-K223 PolarHBondContact O-N 3.47Å
222D73.6Confident77.2Confident99 Ų99122.7 Ų122.753%0.52961%0.612SS.*  trans-50.9111.4179.6-85.8-25.6000110R220 R227R220-D222 PolarHBondContact O-N 3.32Å; D222-R227 VanDerWaalsContact CB-NH2 3.34Å; D222-R227 IonicContact OD2-CZ 3.81Å; D222-R227 IonicContact OD2-NE 2.81Å; D222-R227 IonicContact OD2-NH2 3.54Å; D222-R227 PolarHBondContact OD2-NH2 2.82Å
223K81.5Confident78.4Confident106 Ų106123.4 Ų123.446%0.46161%0.606SS.*  trans-60.2134173.9-58.6129.3165.6-176.60107.2A221 W225 A226A221-K223 PolarHBondContact O-N 3.47Å; K223-W225 HydrophobicContact CB-CD2 3.41Å; K223-W225 VanDerWaalsContact CB-CD2 3.41Å; K223-W225 HydrophobicContact CB-CE3 3.62Å; K223-W225 HydrophobicContact CB-CG 4.15Å; K223-W225 HydrophobicContact CB-CH2 3.53Å; K223-W225 HydrophobicContact CB-CZ2 3.32Å; K223-W225 HydrophobicContact CB-CZ3 3.66Å; K223-W225 HydrophobicContact CD-CH2 3.98Å; K223-W225 HydrophobicContact CD-CZ2 3.28Å; K223-W225 HydrophobicContact CG-CD2 4.33Å; K223-W225 HydrophobicContact CG-CE3 4.47Å; K223-W225 HydrophobicContact CG-CH2 3.43Å; K223-W225 VanDerWaalsContact CG-CH2 3.43Å; K223-W225 HydrophobicContact CG-CZ2 3.24Å; K223-W225 HydrophobicContact CG-CZ3 4.05Å; K223-W225 PolarHBondContact O-N 2.89Å; K223-A226 WeakPolarHBondContact O-CB 3.14Å; K223-A226 PolarHBondContact O-N 3.06Å
224P76Confident79.4Confident97 Ų97119.2 Ų119.263%0.6359%0.586SS**G310 helixtrans-57.3-27.3-172.420.6-32.5000113A226 R227P224-A226 PolarHBondContact O-N 3.34Å; P224-R227 PolarHBondContact O-N 3.29Å
225W82.3Confident80.4Confident166 Ų166123.5 Ų123.563%0.62959%0.586SS**G310 helixtrans-67.4-16.7173.765.480.2000114.9K223 R227 L228K223-W225 HydrophobicContact CB-CD2 3.41Å; K223-W225 VanDerWaalsContact CB-CD2 3.41Å; K223-W225 HydrophobicContact CB-CE3 3.62Å; K223-W225 HydrophobicContact CB-CG 4.15Å; K223-W225 HydrophobicContact CB-CH2 3.53Å; K223-W225 HydrophobicContact CB-CZ2 3.32Å; K223-W225 HydrophobicContact CB-CZ3 3.66Å; K223-W225 HydrophobicContact CD-CH2 3.98Å; K223-W225 HydrophobicContact CD-CZ2 3.28Å; K223-W225 HydrophobicContact CG-CD2 4.33Å; K223-W225 HydrophobicContact CG-CE3 4.47Å; K223-W225 HydrophobicContact CG-CH2 3.43Å; K223-W225 VanDerWaalsContact CG-CH2 3.43Å; K223-W225 HydrophobicContact CG-CZ2 3.24Å; K223-W225 HydrophobicContact CG-CZ3 4.05Å; K223-W225 PolarHBondContact O-N 2.89Å; W225-R227 VanDerWaalsContact C-N 3.31Å; W225-L228 WeakPolarHBondContact O-CB 3.37Å
226A82.1Confident80.9Confident65 Ų65120.2 Ų120.254%0.53757%0.569SS.*G310 helixtrans-72.7-26174.900000112K223 P224 L228K223-A226 WeakPolarHBondContact O-CB 3.14Å; K223-A226 PolarHBondContact O-N 3.06Å; P224-A226 PolarHBondContact O-N 3.34Å; A226-L228 VanDerWaalsContact C-N 3.34Å
227R81.2Confident81.6Confident172 Ų172117.9 Ų117.965%0.64955%0.554SS**G310 helixtrans-89.63.6177.8-62.9-177-178.7134.71.9113.7D222 P224 W225 T229D222-R227 VanDerWaalsContact CB-NH2 3.34Å; D222-R227 IonicContact OD2-CZ 3.81Å; D222-R227 IonicContact OD2-NE 2.81Å; D222-R227 IonicContact OD2-NH2 3.54Å; D222-R227 PolarHBondContact OD2-NH2 2.82Å; P224-R227 PolarHBondContact O-N 3.29Å; W225-R227 VanDerWaalsContact C-N 3.31Å; R227-T229 PolarHBondContact O-N 2.65Å
228L83Confident82.1Confident51 Ų51117.8 Ų117.827%0.26755%0.553SS.*  trans-68.9116.9177.7-111.659.6000110.4W225 A226 D232 K233 F236W225-L228 WeakPolarHBondContact O-CB 3.37Å; A226-L228 VanDerWaalsContact C-N 3.34Å; L228-D232 HydrophobicContact CB-CB 4.43Å; L228-D232 HydrophobicContact CG-CB 3.86Å; L228-K233 HydrophobicContact CB-CG 4.01Å; L228-K233 HydrophobicContact CD2-CG 4.08Å; L228-K233 HydrophobicContact CG-CG 4.45Å; L228-K233 WeakPolarHBondContact O-CE 3.48Å; L228-F236 HydrophobicContact CD1-CE2 3.74Å; L228-F236 HydrophobicContact CD1-CZ 4.43Å; L228-F236 HydrophobicContact CD2-CD2 3.47Å; L228-F236 VanDerWaalsContact CD2-CD2 3.47Å; L228-F236 HydrophobicContact CD2-CE2 3.46Å; L228-F236 VanDerWaalsContact CD2-CE2 3.46Å; L228-F236 HydrophobicContact CG-CD2 4.06Å; L228-F236 HydrophobicContact CG-CE2 3.6Å
229T85.1Confident82.5Confident65 Ų65119.2 Ų119.240%0.39956%0.555SS.*  trans-67.5158.1172.168.10000110.2R227 K231 D232 K233R227-T229 PolarHBondContact O-N 2.65Å; T229-K231 PolarHBondContact O-N 2.79Å; T229-K231 VanDerWaalsContact O-N 3.15Å; T229-D232 WeakPolarHBondContact CB-OD2 3.19Å; T229-D232 PolarHBondContact N-OD2 3.08Å; T229-D232 VanDerWaalsContact N-OD2 3.15Å; T229-D232 WeakPolarHBondContact O-CB 3.4Å; T229-D232 PolarHBondContact O-N 3.26Å; T229-D232 PolarHBondContact OG1-N 3.49Å; T229-D232 PolarHBondContact OG1-OD2 3.31Å; T229-K233 PolarHBondContact O-N 2.84Å
230P86.9Confident82.9Confident102 Ų102115.5 Ų115.566%0.66255%0.548SS*.Hα-helixtrans-52.4-34.9172.6-28.235.8000113K233 V234P230-K233 PolarHBondContact O-N 2.86Å; P230-V234 WeakPolarHBondContact O-CB 3.29Å; P230-V234 WeakPolarHBondContact O-CG2 3.43Å; P230-V234 PolarHBondContact O-N 2.99Å
231K86.3Confident83.3Confident172 Ų172108.3 Ų108.375%0.74853%0.53SS*.Hα-helixtrans-63.5-42.4174.5-68.6-177.4178.6178.40112.2T229 V234 R235T229-K231 PolarHBondContact O-N 2.79Å; T229-K231 VanDerWaalsContact O-N 3.15Å; K231-V234 PolarHBondContact O-N 2.74Å; K231-R235 WeakPolarHBondContact O-CB 3.16Å; K231-R235 PolarHBondContact O-N 3.37Å
232D89.2Confident83.8Confident44 Ų44109.3 Ų109.324%0.23553%0.53CS..Hα-helixtrans-66.8-45.2177.7-60.3-43.5000110.9L228 T229 V234 R235 F236L228-D232 HydrophobicContact CB-CB 4.43Å; L228-D232 HydrophobicContact CG-CB 3.86Å; T229-D232 WeakPolarHBondContact CB-OD2 3.19Å; T229-D232 PolarHBondContact N-OD2 3.08Å; T229-D232 VanDerWaalsContact N-OD2 3.15Å; T229-D232 WeakPolarHBondContact O-CB 3.4Å; T229-D232 PolarHBondContact O-N 3.26Å; T229-D232 PolarHBondContact OG1-N 3.49Å; T229-D232 PolarHBondContact OG1-OD2 3.31Å; D232-V234 VanDerWaalsContact C-N 3.29Å; D232-V234 PolarHBondContact O-N 3.34Å; D232-R235 WeakPolarHBondContact O-CB 3.48Å; D232-R235 PolarHBondContact O-N 3.29Å; D232-R235 VanDerWaalsContact O-N 3.1Å; D232-R235 IonicContact OD1-NH1 3.6Å; D232-R235 PolarHBondContact OD1-NH1 3.43Å; D232-F236 HydrophobicContact CB-CD2 4.33Å; D232-F236 HydrophobicContact CB-CE2 3.91Å; D232-F236 WeakPolarHBondContact O-CD2 3.35Å; D232-F236 WeakPolarHBondContact O-CG 3.14Å; D232-F236 PolarHBondContact O-N 3.27Å
233K87.2Confident84.2Confident120 Ų120111.3 Ų111.352%0.52253%0.531SS..Hα-helixtrans-54.6-46.2175.4-65.9177.3-176.4176.30111.6L228 T229 P230 F236 F237L228-K233 HydrophobicContact CB-CG 4.01Å; L228-K233 HydrophobicContact CD2-CG 4.08Å; L228-K233 HydrophobicContact CG-CG 4.45Å; L228-K233 WeakPolarHBondContact O-CE 3.48Å; T229-K233 PolarHBondContact O-N 2.84Å; P230-K233 PolarHBondContact O-N 2.86Å; K233-F236 PolarHBondContact O-N 2.96Å; K233-F237 WeakPolarHBondContact O-CB 3.05Å; K233-F237 PolarHBondContact O-N 3.37Å
234V88.2Confident84.2Confident76 Ų76110 Ų11046%0.46153%0.532SS..Hα-helixtrans-65.4-42.3177.5171.90000111.2P230 K231 D232 F236 F237 Y238P230-V234 WeakPolarHBondContact O-CB 3.29Å; P230-V234 WeakPolarHBondContact O-CG2 3.43Å; P230-V234 PolarHBondContact O-N 2.99Å; K231-V234 PolarHBondContact O-N 2.74Å; D232-V234 VanDerWaalsContact C-N 3.29Å; D232-V234 PolarHBondContact O-N 3.34Å; V234-F236 PolarHBondContact O-N 2.95Å; V234-F237 PolarHBondContact O-N 3.37Å; V234-Y238 HydrophobicContact CG1-CD2 3.48Å; V234-Y238 VanDerWaalsContact CG1-CD2 3.48Å; V234-Y238 HydrophobicContact CG1-CE2 3.2Å; V234-Y238 WeakPolarHBondContact O-CD2 3.3Å; V234-Y238 PolarHBondContact O-N 3.23Å
235R86.2Confident84.5Confident167 Ų167110.9 Ų110.963%0.6353%0.526SS*.Hα-helixtrans-60.9-44.7175.5-175.9-175.1-75.6142.3-9.4111.9K231 D232 F237 Y238 F239K231-R235 WeakPolarHBondContact O-CB 3.16Å; K231-R235 PolarHBondContact O-N 3.37Å; D232-R235 WeakPolarHBondContact O-CB 3.48Å; D232-R235 PolarHBondContact O-N 3.29Å; D232-R235 VanDerWaalsContact O-N 3.1Å; D232-R235 IonicContact OD1-NH1 3.6Å; D232-R235 PolarHBondContact OD1-NH1 3.43Å; R235-F237 VanDerWaalsContact C-N 3.32Å; R235-F237 PolarHBondContact O-N 2.92Å; R235-Y238 PolarHBondContact O-N 3.33Å; R235-F239 WeakPolarHBondContact O-CB 3.16Å; R235-F239 PolarHBondContact O-N 3.2Å
236F86.2Confident84.3Confident105 Ų105106.7 Ų106.746%0.46152%0.519SS..Hα-helixtrans-62-41.9175.2-68.9-61.8000111.4L228 D232 K233 V234 F239 I240L228-F236 HydrophobicContact CD1-CE2 3.74Å; L228-F236 HydrophobicContact CD1-CZ 4.43Å; L228-F236 HydrophobicContact CD2-CD2 3.47Å; L228-F236 VanDerWaalsContact CD2-CD2 3.47Å; L228-F236 HydrophobicContact CD2-CE2 3.46Å; L228-F236 VanDerWaalsContact CD2-CE2 3.46Å; L228-F236 HydrophobicContact CG-CD2 4.06Å; L228-F236 HydrophobicContact CG-CE2 3.6Å; D232-F236 HydrophobicContact CB-CD2 4.33Å; D232-F236 HydrophobicContact CB-CE2 3.91Å; D232-F236 WeakPolarHBondContact O-CD2 3.35Å; D232-F236 WeakPolarHBondContact O-CG 3.14Å; D232-F236 PolarHBondContact O-N 3.27Å; K233-F236 PolarHBondContact O-N 2.96Å; V234-F236 PolarHBondContact O-N 2.95Å; F236-F239 PolarHBondContact O-N 3.1Å; F236-I240 WeakPolarHBondContact O-CG1 3.25Å; F236-I240 PolarHBondContact O-N 3.42Å
237F85.2Confident84.2Confident150 Ų150107.3 Ų107.366%0.65851%0.513SS*.Hα-helixtrans-63.3-43.3176.5-163.9-95.8000112K233 V234 R235 I240 C241K233-F237 WeakPolarHBondContact O-CB 3.05Å; K233-F237 PolarHBondContact O-N 3.37Å; V234-F237 PolarHBondContact O-N 3.37Å; R235-F237 VanDerWaalsContact C-N 3.32Å; R235-F237 PolarHBondContact O-N 2.92Å; F237-I240 PolarHBondContact O-N 3.33Å; F237-C241 WeakPolarHBondContact O-CB 3.22Å; F237-C241 PolarHBondContact O-N 3.03Å
238Y84.6Confident84Confident155 Ų155102.4 Ų102.461%0.60850%0.502SS*.Hα-helixtrans-65.2-39.1173.8-78.9-62.7000112.6V234 R235 C241 T242V234-Y238 HydrophobicContact CG1-CD2 3.48Å; V234-Y238 VanDerWaalsContact CG1-CD2 3.48Å; V234-Y238 HydrophobicContact CG1-CE2 3.2Å; V234-Y238 WeakPolarHBondContact O-CD2 3.3Å; V234-Y238 PolarHBondContact O-N 3.23Å; R235-Y238 PolarHBondContact O-N 3.33Å; Y238-C241 PolarHBondContact O-N 3.37Å; Y238-T242 VanDerWaalsContact O-CB 3.32Å; Y238-T242 WeakPolarHBondContact O-CB 3.22Å; Y238-T242 VanDerWaalsContact O-CG2 3.26Å; Y238-T242 WeakPolarHBondContact O-CG2 3.32Å; Y238-T242 PolarHBondContact O-N 2.95Å; Y238-T242 PolarHBondContact O-OG1 3.49Å
239F84.4Confident83.4Confident138 Ų138107.2 Ų107.261%0.60552%0.518SS*.Hα-helixtrans-64-45.3177.4-174.4-99.6000111.3R235 F236 T242 Y243R235-F239 WeakPolarHBondContact O-CB 3.16Å; R235-F239 PolarHBondContact O-N 3.2Å; F236-F239 PolarHBondContact O-N 3.1Å; F239-T242 PolarHBondContact O-OG1 3.47Å; F239-T242 VanDerWaalsContact O-OG1 3.11Å; F239-Y243 WeakPolarHBondContact O-CB 3.43Å; F239-Y243 PolarHBondContact O-N 3.29Å
240I85.9Confident82.8Confident105 Ų105113.6 Ų113.654%0.53853%0.534SS..Hα-helixtrans-65.8-45.1175.9-65.2165.9000110.3F236 F237 Y243 V244F236-I240 WeakPolarHBondContact O-CG1 3.25Å; F236-I240 PolarHBondContact O-N 3.42Å; F237-I240 PolarHBondContact O-N 3.33Å; I240-Y243 PolarHBondContact O-N 3.03Å; I240-V244 HydrophobicContact CG2-CG2 4.14Å; I240-V244 WeakPolarHBondContact O-CB 3.26Å; I240-V244 VanDerWaalsContact O-CG2 3.25Å; I240-V244 WeakPolarHBondContact O-CG2 3.46Å; I240-V244 PolarHBondContact O-N 3.41Å
241C82.8Confident82.3Confident65 Ų65113.4 Ų113.444%0.43954%0.535SS..Hα-helixtrans-63.1-45.2-179.5-172.10000111.5F237 Y238 F245F237-C241 WeakPolarHBondContact O-CB 3.22Å; F237-C241 PolarHBondContact O-N 3.03Å; Y238-C241 PolarHBondContact O-N 3.37Å; C241-F245 WeakPolarHBondContact O-CA 3.39Å; C241-F245 WeakPolarHBondContact O-CB 3.29Å; C241-F245 PolarHBondContact O-N 2.78Å
242T81.7Confident81.6Confident76 Ų76114.9 Ų114.947%0.46654%0.537SS..Hα-helixtrans-68.2-38.3175.653.10000111.8Y238 F239 V246Y238-T242 VanDerWaalsContact O-CB 3.32Å; Y238-T242 WeakPolarHBondContact O-CB 3.22Å; Y238-T242 VanDerWaalsContact O-CG2 3.26Å; Y238-T242 WeakPolarHBondContact O-CG2 3.32Å; Y238-T242 PolarHBondContact O-N 2.95Å; Y238-T242 PolarHBondContact O-OG1 3.49Å; F239-T242 PolarHBondContact O-OG1 3.47Å; F239-T242 VanDerWaalsContact O-OG1 3.11Å; T242-V246 WeakPolarHBondContact O-CB 3.33Å; T242-V246 WeakPolarHBondContact O-CG2 3.45Å; T242-V246 PolarHBondContact O-N 3.07Å
243Y83.5Confident80.2Confident141 Ų141124.6 Ų124.655%0.55358%0.578SS**Hα-helixtrans-66.9-44.3176.8-170.4-93.7000111.8F239 I240 N247F239-Y243 WeakPolarHBondContact O-CB 3.43Å; F239-Y243 PolarHBondContact O-N 3.29Å; I240-Y243 PolarHBondContact O-N 3.03Å; Y243-N247 WeakPolarHBondContact CD1-ND2 3.22Å; Y243-N247 VanDerWaalsContact CD2-ND2 3.32Å; Y243-N247 WeakPolarHBondContact CD2-ND2 2.89Å; Y243-N247 VanDerWaalsContact CE1-ND2 3.33Å; Y243-N247 WeakPolarHBondContact CE1-ND2 3.11Å; Y243-N247 WeakPolarHBondContact CE2-ND2 3.47Å; Y243-N247 WeakPolarHBondContact O-CB 3.39Å; Y243-N247 PolarHBondContact O-N 3.24Å; Y243-N247 PolarHBondContact O-ND2 3.1Å
244V81.1Confident79.9Confident77 Ų77124.9 Ų124.947%0.46758%0.58SS.*Hα-helixtrans-67-45175.2173.90000110I240 N247 V248I240-V244 HydrophobicContact CG2-CG2 4.14Å; I240-V244 WeakPolarHBondContact O-CB 3.26Å; I240-V244 VanDerWaalsContact O-CG2 3.25Å; I240-V244 WeakPolarHBondContact O-CG2 3.46Å; I240-V244 PolarHBondContact O-N 3.41Å; V244-N247 PolarHBondContact O-N 3.07Å; V244-V248 HydrophobicContact CG1-CG2 3.84Å; V244-V248 WeakPolarHBondContact O-CA 3.13Å; V244-V248 WeakPolarHBondContact O-CB 3.43Å; V244-V248 VanDerWaalsContact O-CG2 3.26Å; V244-V248 WeakPolarHBondContact O-CG2 3.27Å; V244-V248 PolarHBondContact O-N 3.43Å
245F80.8Confident79.4Confident117 Ų117127.4 Ų127.451%0.51359%0.587SS.*Hα-helixtrans-61.3-49.4178-170-96000110.6C241 Y249C241-F245 WeakPolarHBondContact O-CA 3.39Å; C241-F245 WeakPolarHBondContact O-CB 3.29Å; C241-F245 PolarHBondContact O-N 2.78Å; F245-Y249 HydrophobicContact CD1-CD2 4.45Å; F245-Y249 AromaticContact CD2-CD2 3.46Å; F245-Y249 HydrophobicContact CD2-CD2 3.46Å; F245-Y249 VanDerWaalsContact CD2-CD2 3.46Å; F245-Y249 AromaticContact CD2-CE2 3.44Å; F245-Y249 HydrophobicContact CD2-CE2 3.44Å; F245-Y249 VanDerWaalsContact CD2-CE2 3.44Å; F245-Y249 HydrophobicContact CD2-CG 4.36Å; F245-Y249 HydrophobicContact CE1-CD2 4.48Å; F245-Y249 HydrophobicContact CE2-CD1 4.46Å; F245-Y249 AromaticContact CE2-CD2 3.5Å; F245-Y249 HydrophobicContact CE2-CD2 3.5Å; F245-Y249 VanDerWaalsContact CE2-CD2 3.5Å; F245-Y249 HydrophobicContact CE2-CE1 4.27Å; F245-Y249 AromaticContact CE2-CE2 3.25Å; F245-Y249 HydrophobicContact CE2-CE2 3.25Å; F245-Y249 HydrophobicContact CE2-CG 4.11Å; F245-Y249 AromaticContact CE2-CZ 3.67Å; F245-Y249 AromaticContact CG-CD2 3.97Å; F245-Y249 HydrophobicContact CG-CD2 3.97Å; F245-Y249 HydrophobicContact CG-CE2 4.39Å; F245-Y249 HydrophobicContact CZ-CD1 4.4Å; F245-Y249 HydrophobicContact CZ-CD2 4.03Å; F245-Y249 HydrophobicContact CZ-CE1 4.45Å; F245-Y249 HydrophobicContact CZ-CE2 4.09Å; F245-Y249 HydrophobicContact CZ-CG 4.19Å; F245-Y249 WeakPolarHBondContact O-CA 3.33Å; F245-Y249 WeakPolarHBondContact O-CB 3.35Å; F245-Y249 PolarHBondContact O-N 2.92Å
246V79.3Confident79Confident78 Ų78125.2 Ų125.247%0.47358%0.584SS.*Hα-helixtrans-66.6-44.6179.11740000111.5T242 R250T242-V246 WeakPolarHBondContact O-CB 3.33Å; T242-V246 WeakPolarHBondContact O-CG2 3.45Å; T242-V246 PolarHBondContact O-N 3.07Å; V246-R250 WeakPolarHBondContact O-CB 3.22Å; V246-R250 PolarHBondContact O-N 3.04Å
247N78.6Confident78.6Confident77 Ų77126.4 Ų126.441%0.41259%0.592SS.*Hα-helixtrans-76.1-39.8-177.2-75.5-80.8000113Y243 V244 S251Y243-N247 WeakPolarHBondContact CD1-ND2 3.22Å; Y243-N247 VanDerWaalsContact CD2-ND2 3.32Å; Y243-N247 WeakPolarHBondContact CD2-ND2 2.89Å; Y243-N247 VanDerWaalsContact CE1-ND2 3.33Å; Y243-N247 WeakPolarHBondContact CE1-ND2 3.11Å; Y243-N247 WeakPolarHBondContact CE2-ND2 3.47Å; Y243-N247 WeakPolarHBondContact O-CB 3.39Å; Y243-N247 PolarHBondContact O-N 3.24Å; Y243-N247 PolarHBondContact O-ND2 3.1Å; V244-N247 PolarHBondContact O-N 3.07Å; N247-S251 PolarHBondContact O-N 3.15Å
248V77.6Confident78.2Confident69 Ų69124.9 Ų124.942%0.41859%0.588SS.*Hα-helixtrans-73-50.7177.1-179.70000109.7V244 R250 S251 Y252V244-V248 HydrophobicContact CG1-CG2 3.84Å; V244-V248 WeakPolarHBondContact O-CA 3.13Å; V244-V248 WeakPolarHBondContact O-CB 3.43Å; V244-V248 VanDerWaalsContact O-CG2 3.26Å; V244-V248 WeakPolarHBondContact O-CG2 3.27Å; V244-V248 PolarHBondContact O-N 3.43Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 3.32Å; V248-S251 PolarHBondContact O-N 3.44Å; V248-S251 VanDerWaalsContact O-N 3.08Å; V248-Y252 HydrophobicContact CG1-CD2 3.97Å; V248-Y252 HydrophobicContact CG1-CE2 3.92Å; V248-Y252 WeakPolarHBondContact O-CD2 3.39Å; V248-Y252 PolarHBondContact O-N 3.38Å
249Y71.4Confident77.8Confident153 Ų153122.9 Ų122.960%0.659%0.586SS**Hα-helixtrans-66.5-29.5179.7-83.5-101.4000113.3F245 S251 Y252F245-Y249 HydrophobicContact CD1-CD2 4.45Å; F245-Y249 AromaticContact CD2-CD2 3.46Å; F245-Y249 HydrophobicContact CD2-CD2 3.46Å; F245-Y249 VanDerWaalsContact CD2-CD2 3.46Å; F245-Y249 AromaticContact CD2-CE2 3.44Å; F245-Y249 HydrophobicContact CD2-CE2 3.44Å; F245-Y249 VanDerWaalsContact CD2-CE2 3.44Å; F245-Y249 HydrophobicContact CD2-CG 4.36Å; F245-Y249 HydrophobicContact CE1-CD2 4.48Å; F245-Y249 HydrophobicContact CE2-CD1 4.46Å; F245-Y249 AromaticContact CE2-CD2 3.5Å; F245-Y249 HydrophobicContact CE2-CD2 3.5Å; F245-Y249 VanDerWaalsContact CE2-CD2 3.5Å; F245-Y249 HydrophobicContact CE2-CE1 4.27Å; F245-Y249 AromaticContact CE2-CE2 3.25Å; F245-Y249 HydrophobicContact CE2-CE2 3.25Å; F245-Y249 HydrophobicContact CE2-CG 4.11Å; F245-Y249 AromaticContact CE2-CZ 3.67Å; F245-Y249 AromaticContact CG-CD2 3.97Å; F245-Y249 HydrophobicContact CG-CD2 3.97Å; F245-Y249 HydrophobicContact CG-CE2 4.39Å; F245-Y249 HydrophobicContact CZ-CD1 4.4Å; F245-Y249 HydrophobicContact CZ-CD2 4.03Å; F245-Y249 HydrophobicContact CZ-CE1 4.45Å; F245-Y249 HydrophobicContact CZ-CE2 4.09Å; F245-Y249 HydrophobicContact CZ-CG 4.19Å; F245-Y249 WeakPolarHBondContact O-CA 3.33Å; F245-Y249 WeakPolarHBondContact O-CB 3.35Å; F245-Y249 PolarHBondContact O-N 2.92Å; Y249-S251 VanDerWaalsContact C-N 3.3Å; Y249-Y252 PolarHBondContact O-N 3.24Å
250R72.5Confident77.3Confident199 Ų199121.9 Ų121.975%0.75159%0.585SS**Hα-helixtrans-73.4-21.9174.4-170.7171.4-178.91610.4113V246 V248V246-R250 WeakPolarHBondContact O-CB 3.22Å; V246-R250 PolarHBondContact O-N 3.04Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 3.32Å
251S75.7Confident76.7Confident97 Ų97123.2 Ų123.268%0.67859%0.588SS**Hα-helixtrans-81.5-15.7173.4-168.50000113.3N247 V248 Y249N247-S251 PolarHBondContact O-N 3.15Å; V248-S251 PolarHBondContact O-N 3.44Å; V248-S251 VanDerWaalsContact O-N 3.08Å; Y249-S251 VanDerWaalsContact C-N 3.3Å
252Y70.9Confident76.2Confident203 Ų203128 Ų12880%0.79660%0.601SS**THydrogen-bonded Turntrans-97.710.3180-84.7-80000113.8V248 Y249V248-Y252 HydrophobicContact CG1-CD2 3.97Å; V248-Y252 HydrophobicContact CG1-CE2 3.92Å; V248-Y252 WeakPolarHBondContact O-CD2 3.39Å; V248-Y252 PolarHBondContact O-N 3.38Å; Y249-Y252 PolarHBondContact O-N 3.24Å
253K60.8Low75.6Confident249 Ų249132.7 Ų132.7100%1.08361%0.613SS**  trans-129.30176.5-160.9-178.9-171.8178.40110.6

Retrieved 253 of 253 residues in 488 ms (Link to these results)