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Cyclin-L1

Regulatory component of the cyclin-L-CDK11 complex that regulates transcription and pre-mRNA splicing1,2,3. Inhibited by the CDK-specific inhibitor CDKN1A/p214. May be a candidate proto-oncogene in head and neck squamous cell carcinomas (HNSCC)5,6.

AlphaFold DB , UniProt , Accession Q9UK58, Species HUMAN (Homo sapiens, Human), Gene CCNL1, Length 526 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M40.6Very low43.3Very low241 Ų241132.6 Ų132.6100%1.18788%0.875SS**  01630-74.7-171172.700108.6
2A45.3Very low42.8Very low105 Ų105130.8 Ų130.887%0.86888%0.878SS**  trans65.6134.6-148.800000112
3S41.7Very low42.9Very low127 Ų127129 Ų12989%0.88888%0.879SS**  trans-155.3146.7-165.5470000110
4G43.3Very low42.4Very low73 Ų73126.9 Ų126.975%0.75387%0.874SS**  trans168.396.1176.600000113.1
5P49Very low42.2Very low118 Ų118125.5 Ų125.577%0.76688%0.875SS**  trans-96.2156.617336.8-31.7000111.8
6H47.7Very low42.2Very low183 Ų183124.8 Ų124.885%0.84787%0.87SS**  trans-141120.5166.3-95.4-64.2000113.9
7S47Very low42Very low112 Ų112124.2 Ų124.278%0.78387%0.866SS**  trans51.8116.6138.9-50.60000120.9
8T35.6Very low42.1Very low140 Ų140123.3 Ų123.386%0.85987%0.867SS**  trans-75151.5164.948.70000113.4
9A45.5Very low41.9Very low108 Ų108121.8 Ų121.889%0.89386%0.863SS**  trans-146.4122.3154.400000110.3
10T37.9Very low42.2Very low143 Ų143121.5 Ų121.588%0.87786%0.857SS**  trans-112.9134.517646.80000110.1
11A42.8Very low42.2Very low109 Ų109121 Ų12190%0.90185%0.854SS**  trans-140.3130.7166.800000109.3
12A37.4Very low42.2Very low110 Ų110114.5 Ų114.591%0.90984%0.838SS**  trans-126.3140.1173.500000108.8
13A43.8Very low41.9Very low108 Ų108113.6 Ų113.689%0.89384%0.839SS**  trans-142.3147.9172.800000108.2
14A36.7Very low41.7Very low99 Ų99111.1 Ų111.182%0.81883%0.834SS**  trans-141.8159.9-168.400000112.3
15A39.4Very low41.4Very low106 Ų106113.9 Ų113.988%0.87684%0.841SS**  trans65.1157.4-179.200000114.5
16S41.5Very low41.1Very low114 Ų114114.4 Ų114.480%0.79785%0.848SS**  cis-145.2168.515.957.10000114.2
17S39.5Very low40.7Very low116 Ų116111.7 Ų111.781%0.81185%0.85SS**  trans-64.7148.2-177.351.40000117.3
18A43.5Very low40.2Very low107 Ų107109.6 Ų109.688%0.88485%0.846SS**  trans-161.1147.3140.700000113.2
19A38.7Very low40Very low96 Ų96109.5 Ų109.579%0.79385%0.845SS**  trans-158177.3169.900000106.9
20P46.9Very low39.5Very low114 Ų114110.5 Ų110.574%0.7484%0.84SS**  cis-141.9-169.96.241.8-21.7000116.4
21S41.9Very low39.3Very low112 Ų112108.9 Ų108.978%0.78383%0.83SS**  trans95.9136.5136.574.80000124.2
22A42.1Very low38.7Very low104 Ų104109.7 Ų109.786%0.8682%0.824SS**  trans83.7125.6143.400000122.8
23G38.6Very low38.5Very low87 Ų87109.5 Ų109.590%0.89781%0.812SS**  trans93.7131.8162.100000116.2
24G37Very low37.9Very low75 Ų75110 Ų11077%0.77380%0.804SS**  cis-177.2139.7-8.500000113.4
25S37.6Very low37.7Very low130 Ų130110.8 Ų110.891%0.90980%0.799SS**  trans18.7118.6162.2-54.10000122.2
26S41.9Very low37.6Very low130 Ų130112.4 Ų112.491%0.90980%0.798SS**  trans-150.3157.9130.9590000111.3
27S38.4Very low37.9Very low126 Ų126112.5 Ų112.588%0.88179%0.794SS**  trans-97.2146.7-163.449.30000114.4
28G36.6Very low38Very low68 Ų68110.3 Ų110.370%0.70179%0.79SS**  trans-169.550.1-17800000114.9T30G28-T30 PolarHBondContact O-N 3.05Å
29T32.3Very low38.7Very low138 Ų138106.3 Ų106.385%0.84776%0.759SS**  trans-69.392.1-179.1-510000111.9
30T34.8Very low39.8Very low128 Ų128107.3 Ų107.379%0.78575%0.75SS**  trans-99113.5168.7-57.50000109.3G28 T32G28-T30 PolarHBondContact O-N 3.05Å; T30-T32 PolarHBondContact O-N 3.43Å
31T33.6Very low40.6Very low109 Ų109107.7 Ų107.767%0.66975%0.745SS**  trans-64.4120.1-172.4-47.90000112.5T33T31-T33 VanDerWaalsContact C-N 3.31Å; T31-T33 HydrophobicContact CG2-CG2 4.18Å; T31-T33 PolarHBondContact O-N 2.99Å
32T31Very low41.9Very low126 Ų126107.4 Ų107.477%0.77373%0.734SS**  trans-71.382.7171.3-41.10000110.4T30 T34T30-T32 PolarHBondContact O-N 3.43Å; T32-T34 PolarHBondContact O-N 3.47Å
33T32.3Very low43.5Very low106 Ų106105.3 Ų105.365%0.6572%0.722SS**  trans-7288178.151.90000111T31 T35T31-T33 VanDerWaalsContact C-N 3.31Å; T31-T33 HydrophobicContact CG2-CG2 4.18Å; T31-T33 PolarHBondContact O-N 2.99Å; T33-T35 VanDerWaalsContact C-N 3.3Å; T33-T35 PolarHBondContact O-N 3.37Å
34T31.2Very low45.2Very low120 Ų120109.5 Ų109.574%0.73672%0.724SS**  trans-67.487.8165.352.50000109.2T32 T36T32-T34 PolarHBondContact O-N 3.47Å; T34-T36 PolarHBondContact O-N 2.82Å
35T33.7Very low46Very low115 Ų115114.5 Ų114.571%0.70672%0.72SS**  trans-70.997.617748.10000110.1T33 T37T33-T35 VanDerWaalsContact C-N 3.3Å; T33-T35 PolarHBondContact O-N 3.37Å; T35-T37 PolarHBondContact O-N 3.35Å; T35-T37 VanDerWaalsContact O-N 3.11Å
36T37.1Very low47Very low139 Ų139113.8 Ų113.885%0.85371%0.705SS**  trans-59.8111177.8-43.10000110.5T34 G38T34-T36 PolarHBondContact O-N 2.82Å; T36-G38 VanDerWaalsContact C-N 3.32Å; T36-G38 PolarHBondContact O-N 3.22Å
37T46.6Very low47.6Very low116 Ų116113.2 Ų113.271%0.71268%0.684SS**  trans-77.472.1-168.835.90000113.4T35 G39T35-T37 PolarHBondContact O-N 3.35Å; T35-T37 VanDerWaalsContact O-N 3.11Å; T37-G39 PolarHBondContact O-N 3.48Å; T37-G39 VanDerWaalsContact O-N 3.14Å
38G41.8Very low48.5Very low71 Ų71111.7 Ų111.773%0.73267%0.673SS**  trans-67.4103.8173.800000112.7T36T36-G38 VanDerWaalsContact C-N 3.32Å; T36-G38 PolarHBondContact O-N 3.22Å
39G58.6Low49.4Very low23 Ų23115.2 Ų115.224%0.23767%0.671CS.*PPolyproline II helixtrans-69.7155173.200000113.5T37 L46 Y47T37-G39 PolarHBondContact O-N 3.48Å; T37-G39 VanDerWaalsContact O-N 3.14Å; G39-L46 WeakPolarHBondContact O-CD1 3.42Å; G39-Y47 CarbonylContact C-O 3.15Å; G39-Y47 VanDerWaalsContact CA-O 3.28Å; G39-Y47 WeakPolarHBondContact CA-O 3.34Å
40I62.2Low50.4Low116 Ų116114 Ų11460%0.59566%0.664SS**EExtended strand (participates in β ladder)trans-84.6117.1176.7-54.6175.5000109I42 Y47I40-I42 HydrophobicContact CG2-CD1 4.38Å; I40-I42 HydrophobicContact CG2-CG1 3.95Å; I40-I42 PolarHBondContact O-N 3.3Å; I40-Y47 PolarHBondContact N-O 2.84Å; I40-Y47 WeakPolarHBondContact O-CA 3.47Å; I40-Y47 WeakPolarHBondContact O-CB 3.48Å; I40-Y47 PolarHBondContact O-N 3.41Å
41L64Low51.3Low123 Ų123110.2 Ų110.264%0.64464%0.642SS**EExtended strand (participates in β ladder)trans-73124.7169.6-75.1165.2000110.3L46L41-L46 HydrophobicContact CD2-CB 3.98Å; L41-L46 HydrophobicContact CD2-CD1 3.93Å; L41-L46 HydrophobicContact CG-CD1 3.87Å
42I69.1Low52.3Low105 Ų105111.5 Ų111.554%0.53865%0.645SS.*  trans-127.394.4172-52.9179.5000107.8I40 R45 Y47I40-I42 HydrophobicContact CG2-CD1 4.38Å; I40-I42 HydrophobicContact CG2-CG1 3.95Å; I40-I42 PolarHBondContact O-N 3.3Å; I42-R45 PolarHBondContact N-O 3.27Å; I42-Y47 HydrophobicContact CB-CD2 3.8Å; I42-Y47 HydrophobicContact CB-CE2 3.74Å; I42-Y47 HydrophobicContact CD1-CD2 3.98Å; I42-Y47 HydrophobicContact CD1-CE2 4.28Å; I42-Y47 HydrophobicContact CD1-CG 4.3Å; I42-Y47 HydrophobicContact CG1-CD2 3.9Å; I42-Y47 HydrophobicContact CG1-CE2 4.28Å
43G75.4Confident53.6Low60 Ų60108.4 Ų108.462%0.61963%0.625SS**SBendtrans62.6-148.9-161.100000110.8R45G43-R45 PolarHBondContact O-N 2.64Å
44D73.7Confident54.9Low175 Ų175107.2 Ų107.294%0.93661%0.614SS**SBendtrans-72.418.5-176.5-35.3-42.4000113.9
45R54.1Low56.2Low181 Ų181105.4 Ų105.468%0.68360%0.6SS**  trans-125.9119.5-175.2-67.3-175.2-178.7-125.7-5.6110.7I42 G43 Y47I42-R45 PolarHBondContact N-O 3.27Å; G43-R45 PolarHBondContact O-N 2.64Å; R45-Y47 HydrophobicContact CB-CD2 4.25Å; R45-Y47 HydrophobicContact CB-CE2 3.79Å; R45-Y47 WeakPolarHBondContact O-CD2 3.29Å; R45-Y47 PolarHBondContact O-N 2.97Å
46L59.4Low57.3Low115 Ų115105.5 Ų105.560%0.60259%0.592SS**EExtended strand (participates in β ladder)trans-77.1106.9169.2-171.970000109G39 L41 S48G39-L46 WeakPolarHBondContact O-CD1 3.42Å; L41-L46 HydrophobicContact CD2-CB 3.98Å; L41-L46 HydrophobicContact CD2-CD1 3.93Å; L41-L46 HydrophobicContact CG-CD1 3.87Å; L46-S48 PolarHBondContact O-N 3.21Å
47Y53.8Low59Low117 Ų11799.5 Ų99.546%0.45956%0.556SS.*EExtended strand (participates in β ladder)trans-83.7101.2168.4-71.9-103.3000107.8G39 I40 I42 R45G39-Y47 CarbonylContact C-O 3.15Å; G39-Y47 VanDerWaalsContact CA-O 3.28Å; G39-Y47 WeakPolarHBondContact CA-O 3.34Å; I40-Y47 PolarHBondContact N-O 2.84Å; I40-Y47 WeakPolarHBondContact O-CA 3.47Å; I40-Y47 WeakPolarHBondContact O-CB 3.48Å; I40-Y47 PolarHBondContact O-N 3.41Å; I42-Y47 HydrophobicContact CB-CD2 3.8Å; I42-Y47 HydrophobicContact CB-CE2 3.74Å; I42-Y47 HydrophobicContact CD1-CD2 3.98Å; I42-Y47 HydrophobicContact CD1-CE2 4.28Å; I42-Y47 HydrophobicContact CD1-CG 4.3Å; I42-Y47 HydrophobicContact CG1-CD2 3.9Å; I42-Y47 HydrophobicContact CG1-CE2 4.28Å; R45-Y47 HydrophobicContact CB-CD2 4.25Å; R45-Y47 HydrophobicContact CB-CE2 3.79Å; R45-Y47 WeakPolarHBondContact O-CD2 3.29Å; R45-Y47 PolarHBondContact O-N 2.97Å
48S56.5Low60.7Low94 Ų9496.1 Ų96.166%0.65753%0.533SS*.  trans-53.1154.116556.90000110.5L46 V50L46-S48 PolarHBondContact O-N 3.21Å; S48-V50 PolarHBondContact O-N 2.67Å
49E55.1Low62.6Low142 Ų14294 Ų9466%0.66451%0.505SS*.  trans-43.3132.3179.8-171.9-175.8161.900112.8S51E49-S51 PolarHBondContact O-N 3.32Å
50V53.9Low63.7Low113 Ų11396.3 Ų96.369%0.68552%0.516SS*.  trans-81.168.2179.6-172.70000109.3S48 L52S48-V50 PolarHBondContact O-N 2.67Å; V50-L52 HydrophobicContact CG1-CD1 4.42Å; V50-L52 HydrophobicContact CG1-CD2 4.21Å; V50-L52 HydrophobicContact CG1-CG 4.09Å; V50-L52 PolarHBondContact O-N 3.44Å
51S53.5Low64.6Low49 Ų4996.5 Ų96.534%0.34351%0.514SS..  trans-65.1109.2174.4-1740000109.6E49 H56E49-S51 PolarHBondContact O-N 3.32Å; S51-H56 WeakPolarHBondContact CB-NE2 3.26Å; S51-H56 PolarHBondContact O-CD2 3.34Å; S51-H56 PolarHBondContact O-NE2 3.15Å; S51-H56 PolarHBondContact OG-NE2 2.9Å; S51-H56 VanDerWaalsContact OG-NE2 3.12Å
52L54.5Low65.4Low136 Ų13698.9 Ų98.971%0.71252%0.522SS*.  trans-105.648.8178.1-65.9176.8000111.4V50V50-L52 HydrophobicContact CG1-CD1 4.42Å; V50-L52 HydrophobicContact CG1-CD2 4.21Å; V50-L52 HydrophobicContact CG1-CG 4.09Å; V50-L52 PolarHBondContact O-N 3.44Å
53T57.9Low66Low60 Ų60102.1 Ų102.137%0.36853%0.527SS..  trans-71.1159.1165.182.90000110.5D55 H56T53-D55 WeakPolarHBondContact CB-OD2 3.5Å; T53-D55 PolarHBondContact O-N 3.24Å; T53-D55 PolarHBondContact OG1-N 2.84Å; T53-D55 PolarHBondContact OG1-OD2 3.04Å; T53-H56 PolarHBondContact OG1-CD2 3.21Å; T53-H56 VanDerWaalsContact OG1-CD2 3.25Å
54I60.3Low66.3Low81 Ų81100.4 Ų100.442%0.41550%0.504SS..G310 helixtrans-64.9-22.8179.4-64.9172.1000111S57I54-S57 WeakPolarHBondContact O-CB 3.47Å; I54-S57 PolarHBondContact O-N 3.32Å; I54-S57 PolarHBondContact O-OG 3.1Å
55D58.3Low66.9Low82 Ų8295.8 Ų95.844%0.43949%0.485SS..G310 helixtrans-77.1-23.5-168.7-36-69.8000112.7T53 S57 L58T53-D55 WeakPolarHBondContact CB-OD2 3.5Å; T53-D55 PolarHBondContact O-N 3.24Å; T53-D55 PolarHBondContact OG1-N 2.84Å; T53-D55 PolarHBondContact OG1-OD2 3.04Å; D55-S57 PolarHBondContact O-N 2.95Å; D55-L58 PolarHBondContact O-N 3.36Å
56H56.9Low68.6Low117 Ų11790.9 Ų90.954%0.54248%0.477SS..G310 helixtrans-65.211.1165.9-59.6-78000113.7S51 T53 L58S51-H56 WeakPolarHBondContact CB-NE2 3.26Å; S51-H56 PolarHBondContact O-CD2 3.34Å; S51-H56 PolarHBondContact O-NE2 3.15Å; S51-H56 PolarHBondContact OG-NE2 2.9Å; S51-H56 VanDerWaalsContact OG-NE2 3.12Å; T53-H56 PolarHBondContact OG1-CD2 3.21Å; T53-H56 VanDerWaalsContact OG1-CD2 3.25Å; H56-L58 VanDerWaalsContact C-N 3.28Å
57S73.2Confident70.2Confident14 Ų1485.5 Ų85.510%0.09845%0.449CS..G310 helixtrans-63.7-26.4164.7-83.20000114.4I54 D55 R113I54-S57 WeakPolarHBondContact O-CB 3.47Å; I54-S57 PolarHBondContact O-N 3.32Å; I54-S57 PolarHBondContact O-OG 3.1Å; D55-S57 PolarHBondContact O-N 2.95Å; S57-R113 PolarHBondContact O-NE 2.91Å; S57-R113 PolarHBondContact OG-NH1 2.63Å; S57-R113 PolarHBondContact OG-NH2 2.94Å; S57-R113 VanDerWaalsContact OG-NH2 3.09Å
58L82.4Confident72.1Confident45 Ų4581 Ų8124%0.23643%0.434CS..SBendtrans-88.7153.7-178.7-60-176.1000111.5D55 H56 F240 Q241D55-L58 PolarHBondContact O-N 3.36Å; H56-L58 VanDerWaalsContact C-N 3.28Å; L58-F240 WeakPolarHBondContact CD2-O 3.49Å; L58-Q241 HydrophobicContact CD1-CG 4.01Å
59I82.5Confident73.8Confident25 Ų2576.6 Ų76.613%0.12840%0.403CS..  trans-107115.6-176-59.6-174.8000108R63 L64 Y116 V238I59-R63 HydrophobicContact CG2-CB 3.78Å; I59-L64 HydrophobicContact CB-CD2 4.28Å; I59-L64 HydrophobicContact CG2-CD2 3.98Å; I59-Y116 HydrophobicContact CD1-CD2 3.97Å; I59-Y116 HydrophobicContact CD1-CG 3.81Å; I59-V238 HydrophobicContact CD1-CB 3.84Å; I59-V238 HydrophobicContact CD1-CG1 4.25Å; I59-V238 HydrophobicContact CD1-CG2 4.11Å; I59-V238 HydrophobicContact CG1-CB 4.05Å; I59-V238 PolarHBondContact N-O 2.95Å
60P80.8Confident75.7Confident72 Ų7273 Ų7347%0.46839%0.387SS..  trans-54.1144.6176.5-26.934.8000111.7E62 R63P60-E62 PolarHBondContact O-N 3.2Å; P60-R63 WeakPolarHBondContact O-CB 3.38Å; P60-R63 PolarHBondContact O-N 3.4Å
61E81.8Confident77.5Confident121 Ų12173.9 Ų73.957%0.56538%0.384SS*.G310 helixtrans-62.1-33.5-168.7-54.4-147.1114.600113.1R63 L64 R239E61-R63 PolarHBondContact O-N 3.26Å; E61-L64 HydrophobicContact CB-CD1 4.18Å; E61-L64 HydrophobicContact CG-CD1 4.27Å; E61-L64 WeakPolarHBondContact O-CB 3.27Å; E61-L64 PolarHBondContact O-N 2.88Å; E61-R239 IonicContact OE1-CZ 3.73Å; E61-R239 IonicContact OE1-NE 3.43Å; E61-R239 PolarHBondContact OE1-NE 3.41Å; E61-R239 IonicContact OE1-NH2 2.64Å; E61-R239 PolarHBondContact OE1-NH2 3.43Å
62E80.5Confident79.4Confident172 Ų17272.6 Ų72.680%0.80437%0.373SS*.G310 helixtrans-51.1-23.2169.4-57.6175.3177.900114.6P60P60-E62 PolarHBondContact O-N 3.2Å
63R81Confident81.2Confident174 Ų17467.9 Ų67.966%0.65736%0.357SS*.G310 helixtrans-102.1-3.7179.7-62.4-172.9-179.4179.53.3113.4I59 P60 E61I59-R63 HydrophobicContact CG2-CB 3.78Å; P60-R63 WeakPolarHBondContact O-CB 3.38Å; P60-R63 PolarHBondContact O-N 3.4Å; E61-R63 PolarHBondContact O-N 3.26Å
64L83.2Confident82.8Confident23 Ų2365.1 Ų65.112%0.1234%0.34CS..THydrogen-bonded Turntrans-77-29.1171.9-57.5173.1000111.3I59 E61 T67 Y116 R239I59-L64 HydrophobicContact CB-CD2 4.28Å; I59-L64 HydrophobicContact CG2-CD2 3.98Å; E61-L64 HydrophobicContact CB-CD1 4.18Å; E61-L64 HydrophobicContact CG-CD1 4.27Å; E61-L64 WeakPolarHBondContact O-CB 3.27Å; E61-L64 PolarHBondContact O-N 2.88Å; L64-T67 VanDerWaalsContact O-CG2 3.26Å; L64-T67 WeakPolarHBondContact O-CG2 3.37Å; L64-Y116 HydrophobicContact CD2-CD1 4.29Å; L64-Y116 HydrophobicContact CD2-CE1 3.92Å; L64-R239 HydrophobicContact CD1-CG 3.72Å; L64-R239 HydrophobicContact CD2-CG 4.08Å
65S86.3Confident84.4Confident78 Ų7864 Ų6455%0.54534%0.335SS..SBendtrans-147.9130.9174.554.20000111.5
66P88.7Confident86Confident79 Ų7964.5 Ų64.551%0.51334%0.337SS..SBendcis-81.6128.8-1.632.2-33.3000112.6M70 Q71P66-M70 HydrophobicContact CB-CB 4.48Å; P66-Q71 HydrophobicContact CB-CG 4.48Å; P66-Q71 PolarHBondContact O-NE2 3.43Å
67T92.9Very high87.7Confident1 Ų162.5 Ų62.51%0.00634%0.335CS..  trans-63.2160.2177.774.90000112L64 S69 M70 Q71 E79 Y116L64-T67 VanDerWaalsContact O-CG2 3.26Å; L64-T67 WeakPolarHBondContact O-CG2 3.37Å; T67-S69 PolarHBondContact O-N 2.98Å; T67-S69 VanDerWaalsContact O-N 3.14Å; T67-S69 PolarHBondContact OG1-N 3.38Å; T67-M70 HydrophobicContact CG2-SD 4.1Å; T67-M70 PolarHBondContact O-N 3.35Å; T67-M70 WeakPolarHBondContact OG1-CG 3.28Å; T67-M70 PolarHBondContact OG1-N 3.11Å; T67-Q71 VanDerWaalsContact O-CG 3.31Å; T67-Q71 WeakPolarHBondContact O-CG 3.31Å; T67-Q71 PolarHBondContact O-N 3.42Å; T67-E79 WeakPolarHBondContact CB-OE2 3.36Å; T67-E79 WeakPolarHBondContact CG2-OE2 3.41Å; T67-E79 PolarHBondContact OG1-OE1 2.97Å; T67-E79 PolarHBondContact OG1-OE2 2.76Å; T67-Y116 HydrophobicContact CG2-CD1 4.37Å; T67-Y116 HydrophobicContact CG2-CE1 4.12Å
68P93.6Very high88.7Confident24 Ų2462.9 Ų62.916%0.15634%0.337CS..THydrogen-bonded Turntrans-59.3-23.2170.9-26.236.7000114.2D72 Y116 S119P68-D72 PolarHBondContact O-N 2.91Å; P68-Y116 WeakPolarHBondContact CD-O 3.39Å; P68-Y116 WeakPolarHBondContact CG-O 3.42Å; P68-S119 WeakPolarHBondContact O-CB 3.46Å
69S93.6Very high89.3Confident0 Ų060.8 Ų60.80%033%0.326CS..THydrogen-bonded Turntrans-77.2-42.4176.1-45.40000111.4T67 Q71 D72 G73 L74 E79 F120T67-S69 PolarHBondContact O-N 2.98Å; T67-S69 VanDerWaalsContact O-N 3.14Å; T67-S69 PolarHBondContact OG1-N 3.38Å; S69-Q71 VanDerWaalsContact C-N 3.27Å; S69-Q71 PolarHBondContact O-N 2.99Å; S69-D72 CarbonylContact O-C 3.58Å; S69-D72 WeakPolarHBondContact O-CA 3.37Å; S69-D72 PolarHBondContact O-N 3.26Å; S69-G73 PolarHBondContact O-N 3.35Å; S69-L74 WeakPolarHBondContact O-CB 3.39Å; S69-L74 PolarHBondContact O-N 2.95Å; S69-E79 VanDerWaalsContact CB-CD 3.42Å; S69-E79 VanDerWaalsContact CB-OE1 3.25Å; S69-E79 WeakPolarHBondContact CB-OE1 3.47Å; S69-E79 WeakPolarHBondContact CB-OE2 3.5Å; S69-E79 PolarHBondContact OG-OE1 3.49Å; S69-F120 WeakPolarHBondContact OG-CD2 3.34Å; S69-F120 PolarHBondContact OG-N 2.84Å
70M93.6Very high89.9Confident66 Ų6661.5 Ų61.533%0.32533%0.332SS..G310 helixtrans-61.2-36.3171.8-68171.471.900111.6P66 T67 D72 G73 L74 L76P66-M70 HydrophobicContact CB-CB 4.48Å; T67-M70 HydrophobicContact CG2-SD 4.1Å; T67-M70 PolarHBondContact O-N 3.35Å; T67-M70 WeakPolarHBondContact OG1-CG 3.28Å; T67-M70 PolarHBondContact OG1-N 3.11Å; M70-D72 VanDerWaalsContact C-N 3.26Å; M70-D72 PolarHBondContact O-N 2.87Å; M70-G73 VanDerWaalsContact O-CA 3.3Å; M70-G73 WeakPolarHBondContact O-CA 3.4Å; M70-G73 PolarHBondContact O-N 2.86Å; M70-L74 WeakPolarHBondContact CA-O 3.23Å; M70-L76 HydrophobicContact SD-CB 4.34Å; M70-L76 HydrophobicContact SD-CD1 4.19Å
71Q92.5Very high90.6Very high132 Ų13259.5 Ų59.562%0.61732%0.317SS*.G310 helixtrans-66.4-23.7172.9-65.9168.726.300113.5P66 T67 S69 G73P66-Q71 HydrophobicContact CB-CG 4.48Å; P66-Q71 PolarHBondContact O-NE2 3.43Å; T67-Q71 VanDerWaalsContact O-CG 3.31Å; T67-Q71 WeakPolarHBondContact O-CG 3.31Å; T67-Q71 PolarHBondContact O-N 3.42Å; S69-Q71 VanDerWaalsContact C-N 3.27Å; S69-Q71 PolarHBondContact O-N 2.99Å; Q71-G73 VanDerWaalsContact C-N 3.29Å
72D92.7Very high91.2Very high23 Ų2354 Ų5412%0.12329%0.292CS..G310 helixtrans-91.612166.9-69.2-43.1000112.6P68 S69 M70 S119 V121 K122 L310P68-D72 PolarHBondContact O-N 2.91Å; S69-D72 CarbonylContact O-C 3.58Å; S69-D72 WeakPolarHBondContact O-CA 3.37Å; S69-D72 PolarHBondContact O-N 3.26Å; M70-D72 VanDerWaalsContact C-N 3.26Å; M70-D72 PolarHBondContact O-N 2.87Å; D72-S119 WeakPolarHBondContact OD2-CB 3.42Å; D72-S119 PolarHBondContact OD2-OG 3.44Å; D72-V121 HydrophobicContact CB-CB 3.82Å; D72-V121 HydrophobicContact CB-CG1 4.23Å; D72-V121 HydrophobicContact CB-CG2 3.8Å; D72-K122 WeakPolarHBondContact OD1-CE 3.29Å; D72-K122 IonicContact OD1-NZ 2.72Å; D72-K122 PolarHBondContact OD1-NZ 2.84Å; D72-K122 WeakPolarHBondContact OD2-CD 3.2Å; D72-K122 WeakPolarHBondContact OD2-CE 3.2Å; D72-K122 WeakPolarHBondContact OD2-CG 3.29Å; D72-K122 IonicContact OD2-NZ 2.62Å; D72-K122 PolarHBondContact OD2-NZ 2.64Å; D72-L310 HydrophobicContact CB-CD2 4.2Å; D72-L310 WeakPolarHBondContact OD1-CD2 3.23Å
73G91.8Very high92Very high36 Ų3646.3 Ų46.337%0.37126%0.255SS..THydrogen-bonded Turntrans86.2-2.3174.900000116.2S69 M70 Q71 D75 R306S69-G73 PolarHBondContact O-N 3.35Å; M70-G73 VanDerWaalsContact O-CA 3.3Å; M70-G73 WeakPolarHBondContact O-CA 3.4Å; M70-G73 PolarHBondContact O-N 2.86Å; Q71-G73 VanDerWaalsContact C-N 3.29Å; G73-D75 PolarHBondContact O-N 3.42Å; G73-R306 PolarHBondContact O-NH1 2.91Å
74L92.9Very high92.7Very high3 Ų338.7 Ų38.72%0.01623%0.227CC..  trans-66.3133.2178.9-171.267.3000110.3S69 M70 E79 L82 F120 V121 E302 V303S69-L74 WeakPolarHBondContact O-CB 3.39Å; S69-L74 PolarHBondContact O-N 2.95Å; M70-L74 WeakPolarHBondContact CA-O 3.23Å; L74-E79 HydrophobicContact CD2-CB 4.1Å; L74-L82 HydrophobicContact CD2-CD1 3.78Å; L74-F120 HydrophobicContact CD2-CB 4.15Å; L74-F120 HydrophobicContact CD2-CD2 4.47Å; L74-V121 HydrophobicContact CB-CG2 4.11Å; L74-E302 HydrophobicContact CD1-CG 4.49Å; L74-V303 HydrophobicContact CD1-CG2 4.37Å; L74-V303 HydrophobicContact CD2-CG2 4.49Å
75D93.5Very high93.2Very high57 Ų5738.4 Ų38.431%0.30523%0.226SC..  trans-72.4145.1-179.759.6-75.6000112.1G73 S78 E79G73-D75 PolarHBondContact O-N 3.42Å; D75-S78 VanDerWaalsContact CG-OG 3.24Å; D75-S78 PolarHBondContact O-N 3.33Å; D75-S78 WeakPolarHBondContact OD1-CB 3.5Å; D75-S78 PolarHBondContact OD1-OG 3.47Å; D75-S78 VanDerWaalsContact OD1-OG 3.1Å; D75-S78 WeakPolarHBondContact OD2-CB 3.38Å; D75-S78 PolarHBondContact OD2-N 3.39Å; D75-S78 PolarHBondContact OD2-OG 2.98Å; D75-E79 PolarHBondContact O-N 2.92Å
76L92.2Very high93.7Very high92 Ų9234.7 Ų34.748%0.48220%0.2SC..Hα-helixtrans-56.9-41.9-177.9-178.863000113.3M70 E79 T80M70-L76 HydrophobicContact SD-CB 4.34Å; M70-L76 HydrophobicContact SD-CD1 4.19Å; L76-E79 PolarHBondContact O-N 2.98Å; L76-T80 PolarHBondContact O-N 3.15Å; L76-T80 PolarHBondContact O-OG1 3.35Å
77P93Very high94.1Very high76 Ų7631 Ų3149%0.49418%0.176SC..Hα-helixtrans-58.9-47.6175.5-25.436.3000113.4T80 D81 R291P77-T80 PolarHBondContact O-N 2.91Å; P77-D81 PolarHBondContact O-N 3.44Å; P77-R291 PolarHBondContact O-NH2 3Å
78S93.8Very high94.2Very high21 Ų2133.6 Ų33.615%0.14719%0.188CC..Hα-helixtrans-66.7-36.3177.6-62.20000112.4D75 D81 L82D75-S78 VanDerWaalsContact CG-OG 3.24Å; D75-S78 PolarHBondContact O-N 3.33Å; D75-S78 WeakPolarHBondContact OD1-CB 3.5Å; D75-S78 PolarHBondContact OD1-OG 3.47Å; D75-S78 VanDerWaalsContact OD1-OG 3.1Å; D75-S78 WeakPolarHBondContact OD2-CB 3.38Å; D75-S78 PolarHBondContact OD2-N 3.39Å; D75-S78 PolarHBondContact OD2-OG 2.98Å; S78-D81 PolarHBondContact O-N 3.44Å; S78-L82 VanDerWaalsContact O-CG 3.3Å; S78-L82 WeakPolarHBondContact O-CG 3.48Å; S78-L82 PolarHBondContact O-N 3.18Å
79E94.9Very high94.3Very high1 Ų133.1 Ų33.11%0.00518%0.184CC..Hα-helixtrans-62.8-43.9171.3177.4164.7-150.600112T67 S69 L74 D75 L76 D81 L82 R83 F120T67-E79 WeakPolarHBondContact CB-OE2 3.36Å; T67-E79 WeakPolarHBondContact CG2-OE2 3.41Å; T67-E79 PolarHBondContact OG1-OE1 2.97Å; T67-E79 PolarHBondContact OG1-OE2 2.76Å; S69-E79 VanDerWaalsContact CB-CD 3.42Å; S69-E79 VanDerWaalsContact CB-OE1 3.25Å; S69-E79 WeakPolarHBondContact CB-OE1 3.47Å; S69-E79 WeakPolarHBondContact CB-OE2 3.5Å; S69-E79 PolarHBondContact OG-OE1 3.49Å; L74-E79 HydrophobicContact CD2-CB 4.1Å; D75-E79 PolarHBondContact O-N 2.92Å; L76-E79 PolarHBondContact O-N 2.98Å; E79-D81 VanDerWaalsContact C-N 3.34Å; E79-D81 PolarHBondContact O-N 2.72Å; E79-L82 PolarHBondContact O-N 3.36Å; E79-R83 WeakPolarHBondContact O-CG 3.26Å; E79-R83 PolarHBondContact O-N 3.36Å; E79-R83 IonicContact OE1-CZ 2.66Å; E79-R83 IonicContact OE1-NE 3.78Å; E79-R83 IonicContact OE1-NH2 3.25Å; E79-R83 PolarHBondContact OE1-NH2 3.45Å; E79-F120 HydrophobicContact CG-CD2 4.01Å; E79-F120 HydrophobicContact CG-CE2 3.84Å
80T94.5Very high94.5Very high41 Ų4133.1 Ų33.125%0.25218%0.184SC..Hα-helixtrans-60.9-44175.7-53.20000111.3L76 P77 L82 R83 I84L76-T80 PolarHBondContact O-N 3.15Å; L76-T80 PolarHBondContact O-OG1 3.35Å; P77-T80 PolarHBondContact O-N 2.91Å; T80-L82 PolarHBondContact O-N 3.44Å; T80-R83 WeakPolarHBondContact O-CB 3.47Å; T80-R83 PolarHBondContact O-N 3.36Å; T80-I84 HydrophobicContact CG2-CD1 4.01Å; T80-I84 WeakPolarHBondContact O-CG1 3.25Å; T80-I84 PolarHBondContact O-N 3.15Å
81D95.2Very high94.6Very high29 Ų2932.1 Ų32.116%0.15518%0.178CC..Hα-helixtrans-67-35.5178.9-75.3-13.2000112.7P77 S78 E79 L85 R291 P294 L299P77-D81 PolarHBondContact O-N 3.44Å; S78-D81 PolarHBondContact O-N 3.44Å; E79-D81 VanDerWaalsContact C-N 3.34Å; E79-D81 PolarHBondContact O-N 2.72Å; D81-L85 WeakPolarHBondContact O-CB 3.48Å; D81-L85 VanDerWaalsContact O-CG 3.3Å; D81-L85 WeakPolarHBondContact O-CG 3.21Å; D81-L85 PolarHBondContact O-N 2.69Å; D81-R291 IonicContact OD1-CZ 2.67Å; D81-R291 VanDerWaalsContact OD1-CZ 3.24Å; D81-R291 IonicContact OD1-NE 3.72Å; D81-R291 PolarHBondContact OD1-NE 3.39Å; D81-R291 IonicContact OD1-NH2 3.97Å; D81-R291 PolarHBondContact OD1-NH2 2.96Å; D81-R291 IonicContact OD2-NH2 2.7Å; D81-P294 HydrophobicContact CB-CB 3.69Å; D81-P294 HydrophobicContact CB-CG 4.08Å; D81-L299 HydrophobicContact CB-CD1 3.75Å; D81-L299 HydrophobicContact CB-CD2 4.49Å
82L95.8Very high94.8Very high6 Ų627.5 Ų27.53%0.03116%0.163CC..Hα-helixtrans-63.2-41.8169.5-73.4169.5000111.9L74 S78 E79 T80 L85 G86 F120 F125 L299 V303L74-L82 HydrophobicContact CD2-CD1 3.78Å; S78-L82 VanDerWaalsContact O-CG 3.3Å; S78-L82 WeakPolarHBondContact O-CG 3.48Å; S78-L82 PolarHBondContact O-N 3.18Å; E79-L82 PolarHBondContact O-N 3.36Å; T80-L82 PolarHBondContact O-N 3.44Å; L82-L85 PolarHBondContact O-N 2.89Å; L82-G86 PolarHBondContact O-N 3.18Å; L82-F120 HydrophobicContact CB-CD1 4.31Å; L82-F120 HydrophobicContact CB-CE1 4.11Å; L82-F120 HydrophobicContact CB-CE2 4.32Å; L82-F120 HydrophobicContact CB-CZ 4.12Å; L82-F120 HydrophobicContact CD1-CB 4.05Å; L82-F120 HydrophobicContact CD1-CD1 4.22Å; L82-F120 HydrophobicContact CD1-CD2 4.24Å; L82-F120 HydrophobicContact CD1-CG 3.91Å; L82-F125 HydrophobicContact CD2-CD2 4.38Å; L82-F125 VanDerWaalsContact O-CE2 3.27Å; L82-F125 WeakPolarHBondContact O-CE2 3.49Å; L82-L299 HydrophobicContact CD2-CB 4Å; L82-L299 HydrophobicContact CG-CB 4.48Å; L82-V303 HydrophobicContact CD1-CG2 3.52Å; L82-V303 HydrophobicContact CD2-CG2 4.44Å
83R95.8Very high95.1Very high11 Ų1126.4 Ų26.44%0.04216%0.157CC..Hα-helixtrans-61.1-46.1176.7-72.5172.5-173.3-84.7-1.4111.7E79 T80 G86 C87 H112 F115 F120E79-R83 WeakPolarHBondContact O-CG 3.26Å; E79-R83 PolarHBondContact O-N 3.36Å; E79-R83 IonicContact OE1-CZ 2.66Å; E79-R83 IonicContact OE1-NE 3.78Å; E79-R83 IonicContact OE1-NH2 3.25Å; E79-R83 PolarHBondContact OE1-NH2 3.45Å; T80-R83 WeakPolarHBondContact O-CB 3.47Å; T80-R83 PolarHBondContact O-N 3.36Å; R83-G86 PolarHBondContact O-N 3.45Å; R83-C87 PolarHBondContact O-N 3.02Å; R83-C87 VanDerWaalsContact O-N 3.12Å; R83-C87 PolarHBondContact O-SG 3.11Å; R83-C87 VanDerWaalsContact O-SG 3.41Å; R83-H112 PolarHBondContact NH1-O 3.11Å; R83-F115 PolarHBondContact NH2-O 3.24Å; R83-F120 HydrophobicContact CG-CE2 3.88Å; R83-F120 HydrophobicContact CG-CZ 3.78Å
84I95.6Very high95.3Very high13 Ų1324.7 Ų24.77%0.06714%0.139CC..Hα-helixtrans-61-51.3176.1-66.5165.1000110.5T80 G86 C87 E88 L288T80-I84 HydrophobicContact CG2-CD1 4.01Å; T80-I84 WeakPolarHBondContact O-CG1 3.25Å; T80-I84 PolarHBondContact O-N 3.15Å; I84-G86 PolarHBondContact O-N 3.11Å; I84-C87 PolarHBondContact O-N 3.04Å; I84-C87 VanDerWaalsContact O-N 3.12Å; I84-E88 HydrophobicContact CG2-CG 4.5Å; I84-E88 PolarHBondContact O-N 2.93Å; I84-L288 HydrophobicContact CD1-CD2 3.72Å; I84-L288 HydrophobicContact CG1-CD2 3.98Å
85L94.5Very high95.5Very high18 Ų1829.5 Ų29.59%0.09416%0.164CC..Hα-helixtrans-59-34177.7-78.1170.3000112.8D81 L82 L89 F125 P294 Y296 L299D81-L85 WeakPolarHBondContact O-CB 3.48Å; D81-L85 VanDerWaalsContact O-CG 3.3Å; D81-L85 WeakPolarHBondContact O-CG 3.21Å; D81-L85 PolarHBondContact O-N 2.69Å; L82-L85 PolarHBondContact O-N 2.89Å; L85-L89 VanDerWaalsContact O-CB 3.24Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 PolarHBondContact O-N 3.14Å; L85-F125 HydrophobicContact CB-CE2 4.47Å; L85-F125 HydrophobicContact CB-CZ 4.08Å; L85-P294 HydrophobicContact CD1-CB 4.14Å; L85-P294 HydrophobicContact CD1-CG 3.97Å; L85-P294 HydrophobicContact CD2-CG 4.05Å; L85-P294 HydrophobicContact CG-CB 4.48Å; L85-P294 HydrophobicContact CG-CG 3.77Å; L85-Y296 HydrophobicContact CD1-CD2 4.34Å; L85-L299 HydrophobicContact CD1-CD1 3.59Å
86G96.1Very high95.7Very high0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-64.3-45.8175.500000111.8L82 R83 I84 L89 I90 F125L82-G86 PolarHBondContact O-N 3.18Å; R83-G86 PolarHBondContact O-N 3.45Å; I84-G86 PolarHBondContact O-N 3.11Å; G86-L89 PolarHBondContact O-N 3.22Å; G86-I90 VanDerWaalsContact O-CG1 3.3Å; G86-I90 WeakPolarHBondContact O-CG1 3.32Å; G86-I90 PolarHBondContact O-N 2.9Å; G86-F125 VanDerWaalsContact CA-CZ 3.45Å
87C96.9Very high95.9Very high0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-68.1-38.1177.7-63.40000112.4R83 I84 Q91 Q108 H112 R233R83-C87 PolarHBondContact O-N 3.02Å; R83-C87 VanDerWaalsContact O-N 3.12Å; R83-C87 PolarHBondContact O-SG 3.11Å; R83-C87 VanDerWaalsContact O-SG 3.41Å; I84-C87 PolarHBondContact O-N 3.04Å; I84-C87 VanDerWaalsContact O-N 3.12Å; C87-Q91 WeakPolarHBondContact O-CB 3.5Å; C87-Q91 PolarHBondContact O-N 3.34Å; C87-Q108 HydrophobicContact CB-CB 4.44Å; C87-Q108 HydrophobicContact CB-CG 3.88Å; C87-Q108 PolarHBondContact O-NE2 3.3Å; C87-H112 PolarHBondContact SG-NE2 2.87Å; C87-R233 HydrophobicContact CB-CB 4.31Å; C87-R233 HydrophobicContact CB-CG 4.06Å
88E95Very high96.1Very high56 Ų5633.5 Ų33.526%0.26217%0.165SC..Hα-helixtrans-63.1-42.6172.1-68.6-163.1161.500112.2I84 Q91 A92 R233I84-E88 HydrophobicContact CG2-CG 4.5Å; I84-E88 PolarHBondContact O-N 2.93Å; E88-Q91 PolarHBondContact O-N 3.42Å; E88-A92 WeakPolarHBondContact O-CB 3.19Å; E88-A92 PolarHBondContact O-N 3.46Å; E88-R233 IonicContact OE1-CZ 3.18Å; E88-R233 IonicContact OE1-NH1 2.72Å; E88-R233 PolarHBondContact OE1-NH1 3.32Å
89L95.6Very high96.3Very high14 Ų1433.1 Ų33.17%0.07316%0.162CC..Hα-helixtrans-67.2-38.1179.9-172.162.9000111.8L85 G86 A93 F125 E126 A129 F153 L156L85-L89 VanDerWaalsContact O-CB 3.24Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 PolarHBondContact O-N 3.14Å; G86-L89 PolarHBondContact O-N 3.22Å; L89-A93 WeakPolarHBondContact O-CB 3.27Å; L89-A93 PolarHBondContact O-N 3.39Å; L89-F125 HydrophobicContact CD2-CE1 3.74Å; L89-F125 HydrophobicContact CD2-CZ 4.2Å; L89-E126 HydrophobicContact CD2-CG 4.14Å; L89-A129 HydrophobicContact CD2-CB 4.46Å; L89-F153 HydrophobicContact CD1-CE1 4.39Å; L89-F153 HydrophobicContact CD2-CD1 3.97Å; L89-F153 HydrophobicContact CD2-CE1 3.53Å; L89-F153 HydrophobicContact CD2-CZ 4.48Å; L89-F153 HydrophobicContact CG-CD1 4.19Å; L89-F153 HydrophobicContact CG-CE1 3.63Å; L89-F153 HydrophobicContact CG-CZ 4.19Å; L89-L156 HydrophobicContact CD1-CB 4.19Å; L89-L156 HydrophobicContact CD1-CD1 4.01Å
90I97.7Very high96.4Very high0 Ų035.9 Ų35.90%018%0.179CC..Hα-helixtrans-66.1-45.4174.1-70.2167.9000111G86 A93 G94 Q108 F111 A129 C132 I133G86-I90 VanDerWaalsContact O-CG1 3.3Å; G86-I90 WeakPolarHBondContact O-CG1 3.32Å; G86-I90 PolarHBondContact O-N 2.9Å; I90-A93 PolarHBondContact O-N 2.99Å; I90-G94 PolarHBondContact O-N 3.44Å; I90-Q108 HydrophobicContact CB-CG 4.22Å; I90-Q108 HydrophobicContact CG2-CG 3.94Å; I90-F111 HydrophobicContact CD1-CB 3.67Å; I90-F111 HydrophobicContact CD1-CD2 3.82Å; I90-F111 HydrophobicContact CD1-CG 3.83Å; I90-A129 HydrophobicContact CD1-CB 4.35Å; I90-A129 HydrophobicContact CG1-CB 4.08Å; I90-C132 HydrophobicContact CD1-CB 4.32Å; I90-I133 HydrophobicContact CG2-CB 4.41Å; I90-I133 HydrophobicContact CG2-CD1 4.23Å; I90-I133 HydrophobicContact CG2-CG1 4.39Å; I90-I133 WeakPolarHBondContact O-CD1 3.26Å
91Q96.8Very high96.4Very high45 Ų4536.2 Ų36.221%0.2118%0.178CC..Hα-helixtrans-62.1-48.2176.9-174.869.92000111.4C87 E88 A93 G94 I95 M104C87-Q91 WeakPolarHBondContact O-CB 3.5Å; C87-Q91 PolarHBondContact O-N 3.34Å; E88-Q91 PolarHBondContact O-N 3.42Å; Q91-A93 VanDerWaalsContact C-N 3.34Å; Q91-A93 PolarHBondContact O-N 2.87Å; Q91-G94 PolarHBondContact O-N 2.93Å; Q91-I95 HydrophobicContact CG-CD1 4.16Å; Q91-I95 WeakPolarHBondContact O-CG1 3.29Å; Q91-I95 PolarHBondContact O-N 3.07Å; Q91-M104 VanDerWaalsContact O-SD 3.4Å
92A96.9Very high96.4Very high35 Ų3537.5 Ų37.529%0.28919%0.187SC..Hα-helixtrans-62.2-40.7178.600000112.3E88 L96 L156E88-A92 WeakPolarHBondContact O-CB 3.19Å; E88-A92 PolarHBondContact O-N 3.46Å; A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 3.27Å; A92-L156 HydrophobicContact CB-CD1 4.29Å; A92-L156 HydrophobicContact CB-CD2 3.96Å
93A97.7Very high96.4Very high0 Ų037.2 Ų37.20%019%0.185CC..Hα-helixtrans-67.3-39.8175.500000112.4L89 I90 Q91 L96 L97 I133 V152 F153 L156L89-A93 WeakPolarHBondContact O-CB 3.27Å; L89-A93 PolarHBondContact O-N 3.39Å; I90-A93 PolarHBondContact O-N 2.99Å; Q91-A93 VanDerWaalsContact C-N 3.34Å; Q91-A93 PolarHBondContact O-N 2.87Å; A93-L96 PolarHBondContact O-N 3.12Å; A93-L97 WeakPolarHBondContact O-CB 3.33Å; A93-L97 VanDerWaalsContact O-CG 3.23Å; A93-L97 WeakPolarHBondContact O-CG 3.4Å; A93-L97 PolarHBondContact O-N 3.22Å; A93-I133 HydrophobicContact CB-CD1 3.78Å; A93-V152 HydrophobicContact CB-CG1 3.76Å; A93-F153 HydrophobicContact CB-CD2 3.95Å; A93-F153 HydrophobicContact CB-CE2 3.37Å; A93-F153 HydrophobicContact CB-CZ 4.04Å; A93-L156 HydrophobicContact CB-CD1 3.83Å
94G97.8Very high96.5Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-67.7-37.1179.900000113.3I90 Q91 L97 R98 L99 M104I90-G94 PolarHBondContact O-N 3.44Å; Q91-G94 PolarHBondContact O-N 2.93Å; G94-L97 CarbonylContact O-C 3.6Å; G94-L97 PolarHBondContact O-N 3.07Å; G94-R98 PolarHBondContact O-N 3.37Å; G94-L99 PolarHBondContact O-N 3.02Å; G94-M104 WeakPolarHBondContact CA-SD 3.49Å
95I97.3Very high96.6Very high104 Ų10436.5 Ų36.553%0.53318%0.182SC..Hα-helixtrans-59.8-48.6171.6-68.3164.6000110.2Q91 L97 R98 M104Q91-I95 HydrophobicContact CG-CD1 4.16Å; Q91-I95 WeakPolarHBondContact O-CG1 3.29Å; Q91-I95 PolarHBondContact O-N 3.07Å; I95-L97 VanDerWaalsContact C-N 3.34Å; I95-L97 PolarHBondContact O-N 2.88Å; I95-R98 PolarHBondContact O-N 2.73Å; I95-M104 HydrophobicContact CG1-CE 4.2Å; I95-M104 HydrophobicContact CG1-SD 4.04Å; I95-M104 PolarHBondContact N-SD 3.06Å; I95-M104 VanDerWaalsContact N-SD 3.42Å
96L96.8Very high96.7Very high83 Ų8335.6 Ų35.644%0.43518%0.178SC..Hα-helixtrans-66.2-33178.4-69.7172.7000113A92 A93 R98 V152 L156A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 3.27Å; A93-L96 PolarHBondContact O-N 3.12Å; L96-R98 VanDerWaalsContact C-N 3.26Å; L96-R98 PolarHBondContact O-N 3.12Å; L96-V152 HydrophobicContact CB-CG1 3.77Å; L96-V152 HydrophobicContact CB-CG2 4.02Å; L96-V152 HydrophobicContact CD1-CG1 3.92Å; L96-L156 HydrophobicContact CD1-CD1 4.21Å; L96-L156 HydrophobicContact CD1-CD2 3.75Å; L96-L156 HydrophobicContact CD1-CG 3.88Å
97L97.4Very high96.7Very high13 Ų1335.6 Ų35.67%0.06818%0.178CC..THydrogen-bonded Turntrans-79.5-2.6172.9-69.5168.8000113.7A93 G94 I95 L99 I133 R144 D148 V149 V152A93-L97 WeakPolarHBondContact O-CB 3.33Å; A93-L97 VanDerWaalsContact O-CG 3.23Å; A93-L97 WeakPolarHBondContact O-CG 3.4Å; A93-L97 PolarHBondContact O-N 3.22Å; G94-L97 CarbonylContact O-C 3.6Å; G94-L97 PolarHBondContact O-N 3.07Å; I95-L97 VanDerWaalsContact C-N 3.34Å; I95-L97 PolarHBondContact O-N 2.88Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 HydrophobicContact CB-CD1 4.35Å; L97-L99 HydrophobicContact CB-CG 4.09Å; L97-L99 HydrophobicContact CD1-CD1 4.34Å; L97-L99 PolarHBondContact O-N 3.09Å; L97-I133 HydrophobicContact CD1-CD1 4.03Å; L97-R144 HydrophobicContact CB-CG 4.41Å; L97-R144 PolarHBondContact O-NE 2.93Å; L97-D148 HydrophobicContact CD2-CB 4.07Å; L97-V149 HydrophobicContact CD1-CG2 3.99Å; L97-V149 HydrophobicContact CD2-CG2 4.47Å; L97-V152 HydrophobicContact CD2-CB 4.41Å; L97-V152 HydrophobicContact CD2-CG2 3.85Å; L97-V152 HydrophobicContact CG-CB 4.4Å; L97-V152 HydrophobicContact CG-CG1 4.42Å; L97-V152 HydrophobicContact CG-CG2 4.06Å
98R97.2Very high96.8Very high213 Ų21335.8 Ų35.880%0.80418%0.178SC*.THydrogen-bonded Turntrans50.250.3-173.2-55.7-178.9-179.3-174.6-1.2112.1G94 I95 L96 R144G94-R98 PolarHBondContact O-N 3.37Å; I95-R98 PolarHBondContact O-N 2.73Å; L96-R98 VanDerWaalsContact C-N 3.26Å; L96-R98 PolarHBondContact O-N 3.12Å; R98-R144 PolarHBondContact O-NH2 2.99Å
99L97.2Very high96.8Very high14 Ų1433.1 Ų33.17%0.07317%0.166CC..  trans-84.7151.2171.9-72.4176.3000110.9G94 L97 A103 M104 I133 A142 R144G94-L99 PolarHBondContact O-N 3.02Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 HydrophobicContact CB-CD1 4.35Å; L97-L99 HydrophobicContact CB-CG 4.09Å; L97-L99 HydrophobicContact CD1-CD1 4.34Å; L97-L99 PolarHBondContact O-N 3.09Å; L99-A103 HydrophobicContact CB-CB 4.32Å; L99-M104 HydrophobicContact CB-CG 4.28Å; L99-I133 HydrophobicContact CD1-CD1 3.98Å; L99-I133 HydrophobicContact CD1-CG1 3.68Å; L99-A142 HydrophobicContact CD2-CB 4.26Å; L99-A142 WeakPolarHBondContact CD2-O 3.34Å; L99-R144 HydrophobicContact CD2-CG 3.81Å; L99-R144 HydrophobicContact CG-CG 4.41Å
100P96.6Very high96.8Very high58 Ų5832.5 Ų32.538%0.37716%0.163SC..  trans-67.3153.8170.829.7-34.5000110.9V102 A103 M104 A142P100-V102 PolarHBondContact O-N 3.39Å; P100-A103 HydrophobicContact CG-CB 3.88Å; P100-A103 PolarHBondContact O-N 3.1Å; P100-M104 PolarHBondContact O-N 3.01Å; P100-A142 HydrophobicContact CG-CB 4.27Å
101Q94.7Very high96.8Very high49 Ų4932.5 Ų32.523%0.22916%0.163CC..Hα-helixtrans-57.7-33.9-179.3-174.259.24700112.7A103 M104 A105 N229Q101-A103 VanDerWaalsContact C-N 3.32Å; Q101-A103 PolarHBondContact O-N 2.92Å; Q101-M104 HydrophobicContact CB-CE 4.48Å; Q101-M104 PolarHBondContact O-N 2.85Å; Q101-M104 VanDerWaalsContact OE1-CE 3.32Å; Q101-A105 WeakPolarHBondContact O-CB 3.33Å; Q101-A105 PolarHBondContact O-N 3.02Å; Q101-N229 WeakPolarHBondContact CG-OD1 3.17Å; Q101-N229 PolarHBondContact NE2-OD1 2.67Å
102V95.2Very high96.8Very high55 Ų5530.4 Ų30.433%0.33315%0.153SC..Hα-helixtrans-58.5-43175.4-167.80000111.2P100 M104 A105 T106 E140P100-V102 PolarHBondContact O-N 3.39Å; V102-M104 PolarHBondContact O-N 3.44Å; V102-A105 PolarHBondContact O-N 3.25Å; V102-T106 WeakPolarHBondContact O-CB 3.35Å; V102-T106 PolarHBondContact O-N 2.9Å; V102-T106 PolarHBondContact O-OG1 3.36Å; V102-T106 VanDerWaalsContact O-OG1 3.14Å; V102-E140 HydrophobicContact CG1-CG 4.39Å; V102-E140 WeakPolarHBondContact CG1-OE2 3.48Å
103A96.8Very high96.6Very high0 Ų029.7 Ų29.70%014%0.143CC..Hα-helixtrans-70.6-30.317800000113.2L99 P100 Q101 G107 A136 E140L99-A103 HydrophobicContact CB-CB 4.32Å; P100-A103 HydrophobicContact CG-CB 3.88Å; P100-A103 PolarHBondContact O-N 3.1Å; Q101-A103 VanDerWaalsContact C-N 3.32Å; Q101-A103 PolarHBondContact O-N 2.92Å; A103-G107 PolarHBondContact O-N 3.24Å; A103-A136 VanDerWaalsContact O-CB 3.3Å; A103-A136 WeakPolarHBondContact O-CB 3.3Å; A103-E140 HydrophobicContact CB-CB 3.94Å; A103-E140 HydrophobicContact CB-CG 3.7Å
104M97.1Very high96.5Very high9 Ų929.8 Ų29.84%0.04414%0.143CC..Hα-helixtrans-69.8-44.5172.8-64.2-170.2-8100110.8Q91 G94 I95 L99 P100 Q101 V102 G107 Q108Q91-M104 VanDerWaalsContact O-SD 3.4Å; G94-M104 WeakPolarHBondContact CA-SD 3.49Å; I95-M104 HydrophobicContact CG1-CE 4.2Å; I95-M104 HydrophobicContact CG1-SD 4.04Å; I95-M104 PolarHBondContact N-SD 3.06Å; I95-M104 VanDerWaalsContact N-SD 3.42Å; L99-M104 HydrophobicContact CB-CG 4.28Å; P100-M104 PolarHBondContact O-N 3.01Å; Q101-M104 HydrophobicContact CB-CE 4.48Å; Q101-M104 PolarHBondContact O-N 2.85Å; Q101-M104 VanDerWaalsContact OE1-CE 3.32Å; V102-M104 PolarHBondContact O-N 3.44Å; M104-G107 PolarHBondContact O-N 3.27Å; M104-Q108 WeakPolarHBondContact O-CG 3.28Å; M104-Q108 PolarHBondContact O-N 3.49Å
105A96.8Very high96.4Very high0 Ų029.8 Ų29.80%014%0.143CC..Hα-helixtrans-62.7-47.617500000112.3Q101 V102 G107 Q108 V109 H200 L232Q101-A105 WeakPolarHBondContact O-CB 3.33Å; Q101-A105 PolarHBondContact O-N 3.02Å; V102-A105 PolarHBondContact O-N 3.25Å; A105-G107 VanDerWaalsContact C-N 3.27Å; A105-G107 PolarHBondContact O-N 3.11Å; A105-Q108 WeakPolarHBondContact O-CB 3.47Å; A105-Q108 PolarHBondContact O-N 3.4Å; A105-Q108 VanDerWaalsContact O-N 3.09Å; A105-V109 WeakPolarHBondContact O-CG2 3.49Å; A105-V109 PolarHBondContact O-N 3.48Å; A105-H200 WeakPolarHBondContact CB-CE1 3.19Å; A105-L232 HydrophobicContact CB-CD1 3.63Å; A105-L232 HydrophobicContact CB-CD2 3.92Å; A105-L232 HydrophobicContact CB-CG 4.48Å
106T96.6Very high96.3Very high0 Ų026 Ų260%012%0.122CC..Hα-helixtrans-56.1-42.9173-65.40000110.7V102 Q108 V109 L110 A136 I139 E140 V198 H200V102-T106 WeakPolarHBondContact O-CB 3.35Å; V102-T106 PolarHBondContact O-N 2.9Å; V102-T106 PolarHBondContact O-OG1 3.36Å; V102-T106 VanDerWaalsContact O-OG1 3.14Å; T106-Q108 PolarHBondContact O-N 3.11Å; T106-V109 PolarHBondContact O-N 3.03Å; T106-L110 HydrophobicContact CG2-CD1 3.86Å; T106-L110 HydrophobicContact CG2-CG 4.29Å; T106-L110 WeakPolarHBondContact O-CB 3.48Å; T106-L110 WeakPolarHBondContact O-CG 3.4Å; T106-L110 PolarHBondContact O-N 2.87Å; T106-A136 HydrophobicContact CG2-CB 3.87Å; T106-I139 HydrophobicContact CG2-CD1 4.37Å; T106-I139 HydrophobicContact CG2-CG2 4.37Å; T106-E140 WeakPolarHBondContact CB-OE1 3.34Å; T106-E140 PolarHBondContact OG1-OE1 3.14Å; T106-V198 HydrophobicContact CG2-CG2 4.17Å; T106-H200 PolarHBondContact N-CE1 2.93Å; T106-H200 PolarHBondContact OG1-NE2 3.46Å
107G97.5Very high96.1Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-59.1-41.8174.600000113.7A103 M104 A105 F111A103-G107 PolarHBondContact O-N 3.24Å; M104-G107 PolarHBondContact O-N 3.27Å; A105-G107 VanDerWaalsContact C-N 3.27Å; A105-G107 PolarHBondContact O-N 3.11Å; G107-F111 WeakPolarHBondContact O-CB 3.47Å; G107-F111 PolarHBondContact O-N 2.92Å; G107-F111 VanDerWaalsContact O-N 3.09Å
108Q97.5Very high95.9Very high3 Ų326.1 Ų26.11%0.01413%0.125CC..Hα-helixtrans-68.4-44.2178.1-69.8167.2-34.500112.3C87 I90 M104 A105 T106 F111 H112C87-Q108 HydrophobicContact CB-CB 4.44Å; C87-Q108 HydrophobicContact CB-CG 3.88Å; C87-Q108 PolarHBondContact O-NE2 3.3Å; I90-Q108 HydrophobicContact CB-CG 4.22Å; I90-Q108 HydrophobicContact CG2-CG 3.94Å; M104-Q108 WeakPolarHBondContact O-CG 3.28Å; M104-Q108 PolarHBondContact O-N 3.49Å; A105-Q108 WeakPolarHBondContact O-CB 3.47Å; A105-Q108 PolarHBondContact O-N 3.4Å; A105-Q108 VanDerWaalsContact O-N 3.09Å; T106-Q108 PolarHBondContact O-N 3.11Å; Q108-F111 WeakPolarHBondContact O-CB 3.41Å; Q108-F111 PolarHBondContact O-N 2.97Å; Q108-H112 PolarHBondContact O-CD2 3.14Å; Q108-H112 PolarHBondContact O-N 2.85Å
109V96.1Very high95.8Very high1 Ų116 Ų161%0.0069%0.087CC..Hα-helixtrans-65.4-43.5177.5178.50000111.4A105 T106 F111 H112 R113 V198 L232 F237A105-V109 WeakPolarHBondContact O-CG2 3.49Å; A105-V109 PolarHBondContact O-N 3.48Å; T106-V109 PolarHBondContact O-N 3.03Å; V109-F111 VanDerWaalsContact C-N 3.26Å; V109-F111 PolarHBondContact O-N 3.35Å; V109-H112 PolarHBondContact O-N 3.19Å; V109-R113 HydrophobicContact CG1-CG 4.39Å; V109-R113 WeakPolarHBondContact O-CG 3.43Å; V109-R113 PolarHBondContact O-N 2.95Å; V109-V198 HydrophobicContact CB-CG1 4.03Å; V109-V198 HydrophobicContact CB-CG2 4.11Å; V109-V198 HydrophobicContact CG1-CG1 3.97Å; V109-V198 HydrophobicContact CG1-CG2 3.92Å; V109-V198 HydrophobicContact CG2-CG1 3.96Å; V109-L232 HydrophobicContact CG2-CD2 4.01Å; V109-F237 HydrophobicContact CG2-CB 3.88Å; V109-F237 HydrophobicContact CG2-CD1 3.73Å; V109-F237 HydrophobicContact CG2-CG 4.03Å
110L96.3Very high95.8Very high0 Ų015.6 Ų15.60%09%0.085CC..Hα-helixtrans-60.2-36.6174.1-68.9172.3000112.2T106 F114 L135 A136 I139 L192 V196T106-L110 HydrophobicContact CG2-CD1 3.86Å; T106-L110 HydrophobicContact CG2-CG 4.29Å; T106-L110 WeakPolarHBondContact O-CB 3.48Å; T106-L110 WeakPolarHBondContact O-CG 3.4Å; T106-L110 PolarHBondContact O-N 2.87Å; L110-F114 VanDerWaalsContact O-CB 3.29Å; L110-F114 WeakPolarHBondContact O-CB 3.26Å; L110-F114 PolarHBondContact O-N 3.14Å; L110-L135 HydrophobicContact CD1-CD2 4.25Å; L110-L135 HydrophobicContact CD1-CG 4.25Å; L110-A136 HydrophobicContact CD1-CB 4.34Å; L110-I139 HydrophobicContact CD1-CD1 3.82Å; L110-L192 HydrophobicContact CD2-CD1 3.54Å; L110-V196 HydrophobicContact CD2-CB 3.9Å; L110-V196 HydrophobicContact CD2-CG1 4Å
111F97.2Very high95.7Very high0 Ų012.9 Ų12.90%07%0.067CC..Hα-helixtrans-67.1-46.3176.6-179.5-86.3000111.9I90 G107 Q108 V109 F114 F115 F120 F125 V128 A129 C132I90-F111 HydrophobicContact CD1-CB 3.67Å; I90-F111 HydrophobicContact CD1-CD2 3.82Å; I90-F111 HydrophobicContact CD1-CG 3.83Å; G107-F111 WeakPolarHBondContact O-CB 3.47Å; G107-F111 PolarHBondContact O-N 2.92Å; G107-F111 VanDerWaalsContact O-N 3.09Å; Q108-F111 WeakPolarHBondContact O-CB 3.41Å; Q108-F111 PolarHBondContact O-N 2.97Å; V109-F111 VanDerWaalsContact C-N 3.26Å; V109-F111 PolarHBondContact O-N 3.35Å; F111-F114 PolarHBondContact O-N 3.01Å; F111-F115 HydrophobicContact CD1-CD2 4.14Å; F111-F115 HydrophobicContact CD2-CD2 4.08Å; F111-F115 AromaticContact CD2-CE2 3.89Å; F111-F115 HydrophobicContact CD2-CE2 3.89Å; F111-F115 AromaticContact CE1-CD2 3.85Å; F111-F115 HydrophobicContact CE1-CD2 3.85Å; F111-F115 HydrophobicContact CE1-CE2 4.23Å; F111-F115 AromaticContact CE2-CD2 3.82Å; F111-F115 HydrophobicContact CE2-CD2 3.82Å; F111-F115 AromaticContact CE2-CE2 3.4Å; F111-F115 HydrophobicContact CE2-CE2 3.4Å; F111-F115 VanDerWaalsContact CE2-CE2 3.4Å; F111-F115 HydrophobicContact CG-CD2 4.23Å; F111-F115 HydrophobicContact CG-CE2 4.5Å; F111-F115 AromaticContact CZ-CD2 3.68Å; F111-F115 HydrophobicContact CZ-CD2 3.68Å; F111-F115 AromaticContact CZ-CE2 3.58Å; F111-F115 HydrophobicContact CZ-CE2 3.58Å; F111-F115 WeakPolarHBondContact O-CD2 3.33Å; F111-F115 PolarHBondContact O-N 2.68Å; F111-F120 HydrophobicContact CE1-CE1 4.32Å; F111-F120 HydrophobicContact CE1-CZ 4.29Å; F111-F120 AromaticContact CZ-CE1 3.96Å; F111-F120 HydrophobicContact CZ-CE1 3.96Å; F111-F120 HydrophobicContact CZ-CZ 4.39Å; F111-F125 HydrophobicContact CE2-CD2 4.36Å; F111-F125 HydrophobicContact CE2-CE2 4.37Å; F111-F125 AromaticContact CZ-CD2 3.79Å; F111-F125 HydrophobicContact CZ-CD2 3.79Å; F111-F125 AromaticContact CZ-CE2 3.68Å; F111-F125 HydrophobicContact CZ-CE2 3.68Å; F111-V128 HydrophobicContact CD2-CG1 4.22Å; F111-V128 HydrophobicContact CE2-CG1 4.48Å; F111-A129 HydrophobicContact CD2-CB 4.23Å; F111-A129 HydrophobicContact CE2-CB 3.95Å; F111-C132 HydrophobicContact CB-CB 4.28Å
112H95.6Very high95.6Very high2 Ų215.1 Ų15.11%0.0098%0.076CC..Hα-helixtrans-60.7-51.8174.8-78.6-63.6000112.4R83 C87 Q108 V109 F114 F115 Y116 L232 T234 V238R83-H112 PolarHBondContact NH1-O 3.11Å; C87-H112 PolarHBondContact SG-NE2 2.87Å; Q108-H112 PolarHBondContact O-CD2 3.14Å; Q108-H112 PolarHBondContact O-N 2.85Å; V109-H112 PolarHBondContact O-N 3.19Å; H112-F114 VanDerWaalsContact C-N 3.27Å; H112-F114 PolarHBondContact O-N 3.25Å; H112-F115 PolarHBondContact O-N 2.93Å; H112-F115 VanDerWaalsContact O-N 3.15Å; H112-Y116 WeakPolarHBondContact O-CD2 3.5Å; H112-Y116 PolarHBondContact O-N 2.97Å; H112-L232 PolarHBondContact NE2-O 2.7Å; H112-T234 PolarHBondContact CE1-O 3.38Å; H112-T234 PolarHBondContact NE2-O 2.83Å; H112-V238 HydrophobicContact CB-CG1 3.88Å
113R94.3Very high95.6Very high20 Ų2013.7 Ų13.78%0.0757%0.066CC..Hα-helixtrans-55.9-43.7178.2-68.6-177.4-175.7170.96.1110.8S57 V109 F115 Y116 S117 L192 C195 H197 V238S57-R113 PolarHBondContact O-NE 2.91Å; S57-R113 PolarHBondContact OG-NH1 2.63Å; S57-R113 PolarHBondContact OG-NH2 2.94Å; S57-R113 VanDerWaalsContact OG-NH2 3.09Å; V109-R113 HydrophobicContact CG1-CG 4.39Å; V109-R113 WeakPolarHBondContact O-CG 3.43Å; V109-R113 PolarHBondContact O-N 2.95Å; R113-F115 PolarHBondContact O-N 3.1Å; R113-Y116 PolarHBondContact O-N 3.26Å; R113-S117 PolarHBondContact O-N 3.24Å; R113-S117 VanDerWaalsContact O-N 3.15Å; R113-L192 HydrophobicContact CB-CD2 3.51Å; R113-C195 PolarHBondContact NH1-O 3.38Å; R113-H197 PolarHBondContact NH1-O 2.66Å; R113-H197 VanDerWaalsContact NH1-O 3.14Å; R113-V238 HydrophobicContact CG-CG1 3.69Å
114F95.5Very high95.5Very high1 Ų117.1 Ų17.10%0.0049%0.09CC..Hα-helixtrans-60-47177.1-176.4-94.5000112.6L110 F111 H112 S117 K118 H123 V128 R187 V188 E191L110-F114 VanDerWaalsContact O-CB 3.29Å; L110-F114 WeakPolarHBondContact O-CB 3.26Å; L110-F114 PolarHBondContact O-N 3.14Å; F111-F114 PolarHBondContact O-N 3.01Å; H112-F114 VanDerWaalsContact C-N 3.27Å; H112-F114 PolarHBondContact O-N 3.25Å; F114-S117 CarbonylContact O-C 3.58Å; F114-S117 PolarHBondContact O-N 2.93Å; F114-S117 VanDerWaalsContact O-N 3.12Å; F114-K118 HydrophobicContact CD1-CB 4.46Å; F114-K118 HydrophobicContact CE1-CB 3.9Å; F114-K118 HydrophobicContact CE1-CG 4.42Å; F114-K118 HydrophobicContact CE2-CG 4.19Å; F114-K118 HydrophobicContact CZ-CB 3.94Å; F114-K118 HydrophobicContact CZ-CG 3.95Å; F114-K118 PolarHBondContact O-N 3.17Å; F114-H123 HydrophobicContact CE1-CB 4.27Å; F114-H123 AromaticContact CE1-CD2 3.94Å; F114-H123 AromaticContact CZ-CD2 3.63Å; F114-V128 HydrophobicContact CD1-CG1 3.62Å; F114-V128 HydrophobicContact CD1-CG2 4.32Å; F114-V128 HydrophobicContact CE1-CG1 3.99Å; F114-V128 HydrophobicContact CE1-CG2 3.84Å; F114-V128 HydrophobicContact CG-CG1 4.18Å; F114-V128 HydrophobicContact CZ-CG2 4.47Å; F114-R187 HydrophobicContact CE2-CG 4.04Å; F114-R187 HydrophobicContact CZ-CG 4.26Å; F114-V188 HydrophobicContact CD2-CB 4.23Å; F114-V188 HydrophobicContact CD2-CG2 3.75Å; F114-V188 HydrophobicContact CE2-CG2 4.1Å; F114-V188 HydrophobicContact CG-CG2 4.14Å; F114-E191 HydrophobicContact CD2-CB 4.23Å; F114-E191 HydrophobicContact CD2-CG 4.48Å; F114-E191 HydrophobicContact CE2-CB 4.09Å; F114-E191 HydrophobicContact CE2-CG 3.84Å
115F95.6Very high95.3Very high0 Ų017.6 Ų17.60%09%0.092CC..Hα-helixtrans-79.9-12.6-177.2-79.4-69.6000114.6R83 F111 H112 R113 K118 F120 H123 V128R83-F115 PolarHBondContact NH2-O 3.24Å; F111-F115 HydrophobicContact CD1-CD2 4.14Å; F111-F115 HydrophobicContact CD2-CD2 4.08Å; F111-F115 AromaticContact CD2-CE2 3.89Å; F111-F115 HydrophobicContact CD2-CE2 3.89Å; F111-F115 AromaticContact CE1-CD2 3.85Å; F111-F115 HydrophobicContact CE1-CD2 3.85Å; F111-F115 HydrophobicContact CE1-CE2 4.23Å; F111-F115 AromaticContact CE2-CD2 3.82Å; F111-F115 HydrophobicContact CE2-CD2 3.82Å; F111-F115 AromaticContact CE2-CE2 3.4Å; F111-F115 HydrophobicContact CE2-CE2 3.4Å; F111-F115 VanDerWaalsContact CE2-CE2 3.4Å; F111-F115 HydrophobicContact CG-CD2 4.23Å; F111-F115 HydrophobicContact CG-CE2 4.5Å; F111-F115 AromaticContact CZ-CD2 3.68Å; F111-F115 HydrophobicContact CZ-CD2 3.68Å; F111-F115 AromaticContact CZ-CE2 3.58Å; F111-F115 HydrophobicContact CZ-CE2 3.58Å; F111-F115 WeakPolarHBondContact O-CD2 3.33Å; F111-F115 PolarHBondContact O-N 2.68Å; H112-F115 PolarHBondContact O-N 2.93Å; H112-F115 VanDerWaalsContact O-N 3.15Å; R113-F115 PolarHBondContact O-N 3.1Å; F115-K118 CarbonylContact C-O 3.28Å; F115-K118 VanDerWaalsContact CA-O 3.27Å; F115-K118 WeakPolarHBondContact CA-O 3.49Å; F115-K118 VanDerWaalsContact CD1-O 3.3Å; F115-K118 WeakPolarHBondContact CD1-O 3.41Å; F115-F120 HydrophobicContact CB-CE1 4.18Å; F115-F120 HydrophobicContact CB-CE2 3.77Å; F115-F120 HydrophobicContact CB-CZ 3.57Å; F115-F120 HydrophobicContact CD1-CB 4.49Å; F115-F120 AromaticContact CD1-CD1 3.45Å; F115-F120 HydrophobicContact CD1-CD1 3.45Å; F115-F120 VanDerWaalsContact CD1-CD1 3.45Å; F115-F120 AromaticContact CD1-CD2 3.9Å; F115-F120 HydrophobicContact CD1-CD2 3.9Å; F115-F120 AromaticContact CD1-CE1 3.43Å; F115-F120 HydrophobicContact CD1-CE1 3.43Å; F115-F120 VanDerWaalsContact CD1-CE1 3.43Å; F115-F120 AromaticContact CD1-CE2 3.87Å; F115-F120 HydrophobicContact CD1-CE2 3.87Å; F115-F120 AromaticContact CD1-CG 3.69Å; F115-F120 HydrophobicContact CD1-CG 3.69Å; F115-F120 AromaticContact CD1-CZ 3.65Å; F115-F120 HydrophobicContact CD1-CZ 3.65Å; F115-F120 HydrophobicContact CD2-CD1 4.28Å; F115-F120 AromaticContact CD2-CE1 3.5Å; F115-F120 HydrophobicContact CD2-CE1 3.5Å; F115-F120 VanDerWaalsContact CD2-CE1 3.5Å; F115-F120 AromaticContact CD2-CZ 3.7Å; F115-F120 HydrophobicContact CD2-CZ 3.7Å; F115-F120 HydrophobicContact CE1-CB 4.37Å; F115-F120 AromaticContact CE1-CD1 3.32Å; F115-F120 HydrophobicContact CE1-CD1 3.32Å; F115-F120 HydrophobicContact CE1-CD2 4.5Å; F115-F120 AromaticContact CE1-CE1 3.58Å; F115-F120 HydrophobicContact CE1-CE1 3.58Å; F115-F120 AromaticContact CE1-CG 3.83Å; F115-F120 HydrophobicContact CE1-CG 3.83Å; F115-F120 HydrophobicContact CE1-CZ 4.28Å; F115-F120 HydrophobicContact CE2-CD1 4.14Å; F115-F120 AromaticContact CE2-CE1 3.61Å; F115-F120 HydrophobicContact CE2-CE1 3.61Å; F115-F120 HydrophobicContact CE2-CZ 4.3Å; F115-F120 AromaticContact CG-CD1 3.96Å; F115-F120 HydrophobicContact CG-CD1 3.96Å; F115-F120 HydrophobicContact CG-CD2 4.35Å; F115-F120 AromaticContact CG-CE1 3.41Å; F115-F120 HydrophobicContact CG-CE1 3.41Å; F115-F120 VanDerWaalsContact CG-CE1 3.41Å; F115-F120 AromaticContact CG-CE2 3.84Å; F115-F120 HydrophobicContact CG-CE2 3.84Å; F115-F120 HydrophobicContact CG-CG 4.4Å; F115-F120 AromaticContact CG-CZ 3.34Å; F115-F120 HydrophobicContact CG-CZ 3.34Å; F115-F120 AromaticContact CZ-CD1 3.68Å; F115-F120 HydrophobicContact CZ-CD1 3.68Å; F115-F120 AromaticContact CZ-CE1 3.66Å; F115-F120 HydrophobicContact CZ-CE1 3.66Å; F115-H123 HydrophobicContact CE1-CB 4.04Å; F115-H123 HydrophobicContact CZ-CB 4.36Å; F115-V128 HydrophobicContact CD2-CG1 4.32Å; F115-V128 HydrophobicContact CE2-CB 3.74Å; F115-V128 HydrophobicContact CE2-CG1 3.45Å; F115-V128 VanDerWaalsContact CE2-CG1 3.45Å; F115-V128 HydrophobicContact CE2-CG2 4.25Å; F115-V128 HydrophobicContact CZ-CB 3.78Å; F115-V128 HydrophobicContact CZ-CG1 3.9Å; F115-V128 HydrophobicContact CZ-CG2 3.82Å
116Y94Very high95.2Very high24 Ų2417.8 Ų17.89%0.0949%0.093CC..Hα-helixtrans-76.6-30.3161-82.7-71.3000112.2I59 L64 T67 P68 H112 R113 N235 V238I59-Y116 HydrophobicContact CD1-CD2 3.97Å; I59-Y116 HydrophobicContact CD1-CG 3.81Å; L64-Y116 HydrophobicContact CD2-CD1 4.29Å; L64-Y116 HydrophobicContact CD2-CE1 3.92Å; T67-Y116 HydrophobicContact CG2-CD1 4.37Å; T67-Y116 HydrophobicContact CG2-CE1 4.12Å; P68-Y116 WeakPolarHBondContact CD-O 3.39Å; P68-Y116 WeakPolarHBondContact CG-O 3.42Å; H112-Y116 WeakPolarHBondContact O-CD2 3.5Å; H112-Y116 PolarHBondContact O-N 2.97Å; R113-Y116 PolarHBondContact O-N 3.26Å; Y116-N235 HydrophobicContact CE2-CB 4.12Å; Y116-N235 VanDerWaalsContact OH-CB 3.3Å; Y116-N235 WeakPolarHBondContact OH-CB 3.31Å; Y116-V238 HydrophobicContact CD2-CG2 3.73Å; Y116-V238 HydrophobicContact CE2-CG2 3.58Å
117S92.1Very high95.2Very high51 Ų5118.7 Ų18.736%0.35710%0.097SC..Hα-helixtrans-84.3-15.3174.1-71.90000114.7R113 F114R113-S117 PolarHBondContact O-N 3.24Å; R113-S117 VanDerWaalsContact O-N 3.15Å; F114-S117 CarbonylContact O-C 3.58Å; F114-S117 PolarHBondContact O-N 2.93Å; F114-S117 VanDerWaalsContact O-N 3.12Å
118K94.4Very high95.2Very high49 Ų4918.9 Ų18.921%0.21310%0.098CC..SBendtrans-151.1146.7-176.2-68.8-60.6168.4-71.50113.4F114 F115 H123 E191F114-K118 HydrophobicContact CD1-CB 4.46Å; F114-K118 HydrophobicContact CE1-CB 3.9Å; F114-K118 HydrophobicContact CE1-CG 4.42Å; F114-K118 HydrophobicContact CE2-CG 4.19Å; F114-K118 HydrophobicContact CZ-CB 3.94Å; F114-K118 HydrophobicContact CZ-CG 3.95Å; F114-K118 PolarHBondContact O-N 3.17Å; F115-K118 CarbonylContact C-O 3.28Å; F115-K118 VanDerWaalsContact CA-O 3.27Å; F115-K118 WeakPolarHBondContact CA-O 3.49Å; F115-K118 VanDerWaalsContact CD1-O 3.3Å; F115-K118 WeakPolarHBondContact CD1-O 3.41Å; K118-H123 WeakPolarHBondContact CD-NE2 3.39Å; K118-E191 WeakPolarHBondContact CE-OE1 3.41Å; K118-E191 WeakPolarHBondContact CE-OE2 3.42Å; K118-E191 HydrophobicContact CG-CG 4.14Å; K118-E191 IonicContact NZ-OE1 3.02Å; K118-E191 IonicContact NZ-OE2 2.66Å; K118-E191 PolarHBondContact NZ-OE2 3.4Å
119S95.5Very high95.2Very high1 Ų118.7 Ų18.71%0.00710%0.098CC..  trans-75.2139.6-177.8171.50000114.9P68 D72 V121 K122 H123P68-S119 WeakPolarHBondContact O-CB 3.46Å; D72-S119 WeakPolarHBondContact OD2-CB 3.42Å; D72-S119 PolarHBondContact OD2-OG 3.44Å; S119-V121 VanDerWaalsContact C-N 3.26Å; S119-V121 PolarHBondContact O-N 3.03Å; S119-V121 WeakPolarHBondContact OG-CB 3.47Å; S119-V121 PolarHBondContact OG-N 3Å; S119-K122 PolarHBondContact O-N 3.5Å; S119-H123 PolarHBondContact N-CE1 2.85Å; S119-H123 PolarHBondContact O-CE1 3.47Å; S119-H123 PolarHBondContact O-N 3.33Å; S119-H123 PolarHBondContact O-ND1 3.19Å
120F96.1Very high95.3Very high4 Ų419 Ų192%0.01810%0.099CC..G310 helixtrans-58-33.3165.5-71.9-74.2000113.1S69 L74 E79 L82 R83 F111 F115 K122 H123 F125S69-F120 WeakPolarHBondContact OG-CD2 3.34Å; S69-F120 PolarHBondContact OG-N 2.84Å; L74-F120 HydrophobicContact CD2-CB 4.15Å; L74-F120 HydrophobicContact CD2-CD2 4.47Å; E79-F120 HydrophobicContact CG-CD2 4.01Å; E79-F120 HydrophobicContact CG-CE2 3.84Å; L82-F120 HydrophobicContact CB-CD1 4.31Å; L82-F120 HydrophobicContact CB-CE1 4.11Å; L82-F120 HydrophobicContact CB-CE2 4.32Å; L82-F120 HydrophobicContact CB-CZ 4.12Å; L82-F120 HydrophobicContact CD1-CB 4.05Å; L82-F120 HydrophobicContact CD1-CD1 4.22Å; L82-F120 HydrophobicContact CD1-CD2 4.24Å; L82-F120 HydrophobicContact CD1-CG 3.91Å; R83-F120 HydrophobicContact CG-CE2 3.88Å; R83-F120 HydrophobicContact CG-CZ 3.78Å; F111-F120 HydrophobicContact CE1-CE1 4.32Å; F111-F120 HydrophobicContact CE1-CZ 4.29Å; F111-F120 AromaticContact CZ-CE1 3.96Å; F111-F120 HydrophobicContact CZ-CE1 3.96Å; F111-F120 HydrophobicContact CZ-CZ 4.39Å; F115-F120 HydrophobicContact CB-CE1 4.18Å; F115-F120 HydrophobicContact CB-CE2 3.77Å; F115-F120 HydrophobicContact CB-CZ 3.57Å; F115-F120 HydrophobicContact CD1-CB 4.49Å; F115-F120 AromaticContact CD1-CD1 3.45Å; F115-F120 HydrophobicContact CD1-CD1 3.45Å; F115-F120 VanDerWaalsContact CD1-CD1 3.45Å; F115-F120 AromaticContact CD1-CD2 3.9Å; F115-F120 HydrophobicContact CD1-CD2 3.9Å; F115-F120 AromaticContact CD1-CE1 3.43Å; F115-F120 HydrophobicContact CD1-CE1 3.43Å; F115-F120 VanDerWaalsContact CD1-CE1 3.43Å; F115-F120 AromaticContact CD1-CE2 3.87Å; F115-F120 HydrophobicContact CD1-CE2 3.87Å; F115-F120 AromaticContact CD1-CG 3.69Å; F115-F120 HydrophobicContact CD1-CG 3.69Å; F115-F120 AromaticContact CD1-CZ 3.65Å; F115-F120 HydrophobicContact CD1-CZ 3.65Å; F115-F120 HydrophobicContact CD2-CD1 4.28Å; F115-F120 AromaticContact CD2-CE1 3.5Å; F115-F120 HydrophobicContact CD2-CE1 3.5Å; F115-F120 VanDerWaalsContact CD2-CE1 3.5Å; F115-F120 AromaticContact CD2-CZ 3.7Å; F115-F120 HydrophobicContact CD2-CZ 3.7Å; F115-F120 HydrophobicContact CE1-CB 4.37Å; F115-F120 AromaticContact CE1-CD1 3.32Å; F115-F120 HydrophobicContact CE1-CD1 3.32Å; F115-F120 HydrophobicContact CE1-CD2 4.5Å; F115-F120 AromaticContact CE1-CE1 3.58Å; F115-F120 HydrophobicContact CE1-CE1 3.58Å; F115-F120 AromaticContact CE1-CG 3.83Å; F115-F120 HydrophobicContact CE1-CG 3.83Å; F115-F120 HydrophobicContact CE1-CZ 4.28Å; F115-F120 HydrophobicContact CE2-CD1 4.14Å; F115-F120 AromaticContact CE2-CE1 3.61Å; F115-F120 HydrophobicContact CE2-CE1 3.61Å; F115-F120 HydrophobicContact CE2-CZ 4.3Å; F115-F120 AromaticContact CG-CD1 3.96Å; F115-F120 HydrophobicContact CG-CD1 3.96Å; F115-F120 HydrophobicContact CG-CD2 4.35Å; F115-F120 AromaticContact CG-CE1 3.41Å; F115-F120 HydrophobicContact CG-CE1 3.41Å; F115-F120 VanDerWaalsContact CG-CE1 3.41Å; F115-F120 AromaticContact CG-CE2 3.84Å; F115-F120 HydrophobicContact CG-CE2 3.84Å; F115-F120 HydrophobicContact CG-CG 4.4Å; F115-F120 AromaticContact CG-CZ 3.34Å; F115-F120 HydrophobicContact CG-CZ 3.34Å; F115-F120 AromaticContact CZ-CD1 3.68Å; F115-F120 HydrophobicContact CZ-CD1 3.68Å; F115-F120 AromaticContact CZ-CE1 3.66Å; F115-F120 HydrophobicContact CZ-CE1 3.66Å; F120-K122 VanDerWaalsContact C-N 3.27Å; F120-K122 PolarHBondContact O-N 3.08Å; F120-H123 PolarHBondContact O-N 3.28Å; F120-F125 HydrophobicContact CD1-CD2 4.33Å; F120-F125 AromaticContact CE1-CD2 3.99Å; F120-F125 HydrophobicContact CE1-CD2 3.99Å
121V94.5Very high95.4Very high1 Ų119 Ų191%0.00610%0.099CC..G310 helixtrans-68.2-29.2177.8-170.70000111.6D72 L74 S119 R306 K307 L310D72-V121 HydrophobicContact CB-CB 3.82Å; D72-V121 HydrophobicContact CB-CG1 4.23Å; D72-V121 HydrophobicContact CB-CG2 3.8Å; L74-V121 HydrophobicContact CB-CG2 4.11Å; S119-V121 VanDerWaalsContact C-N 3.26Å; S119-V121 PolarHBondContact O-N 3.03Å; S119-V121 WeakPolarHBondContact OG-CB 3.47Å; S119-V121 PolarHBondContact OG-N 3Å; V121-R306 VanDerWaalsContact CG1-C 3.49Å; V121-R306 HydrophobicContact CG1-CB 3.76Å; V121-R306 HydrophobicContact CG2-CB 3.96Å; V121-K307 HydrophobicContact CG1-CB 3.94Å; V121-L310 HydrophobicContact CB-CD2 4.45Å; V121-L310 HydrophobicContact CG1-CB 4.37Å; V121-L310 HydrophobicContact CG1-CD2 3.8Å
122K93.8Very high95.4Very high96 Ų9619 Ų1942%0.41710%0.099SC..G310 helixtrans-92.4-12.2-180-67.3171.9-178.7119.40113.8D72 S119 F120 L310D72-K122 WeakPolarHBondContact OD1-CE 3.29Å; D72-K122 IonicContact OD1-NZ 2.72Å; D72-K122 PolarHBondContact OD1-NZ 2.84Å; D72-K122 WeakPolarHBondContact OD2-CD 3.2Å; D72-K122 WeakPolarHBondContact OD2-CE 3.2Å; D72-K122 WeakPolarHBondContact OD2-CG 3.29Å; D72-K122 IonicContact OD2-NZ 2.62Å; D72-K122 PolarHBondContact OD2-NZ 2.64Å; S119-K122 PolarHBondContact O-N 3.5Å; F120-K122 VanDerWaalsContact C-N 3.27Å; F120-K122 PolarHBondContact O-N 3.08Å; K122-L310 HydrophobicContact CG-CD2 3.99Å
123H94.7Very high95.5Very high25 Ų2519 Ų1912%0.11610%0.099CC..SBendtrans-141.2124.6-169.3-62.479000112F114 F115 K118 S119 F120 F125 V128 R187F114-H123 HydrophobicContact CE1-CB 4.27Å; F114-H123 AromaticContact CE1-CD2 3.94Å; F114-H123 AromaticContact CZ-CD2 3.63Å; F115-H123 HydrophobicContact CE1-CB 4.04Å; F115-H123 HydrophobicContact CZ-CB 4.36Å; K118-H123 WeakPolarHBondContact CD-NE2 3.39Å; S119-H123 PolarHBondContact N-CE1 2.85Å; S119-H123 PolarHBondContact O-CE1 3.47Å; S119-H123 PolarHBondContact O-N 3.33Å; S119-H123 PolarHBondContact O-ND1 3.19Å; F120-H123 PolarHBondContact O-N 3.28Å; H123-F125 PolarHBondContact O-N 3.46Å; H123-V128 HydrophobicContact CB-CG2 4.19Å; H123-R187 PolarHBondContact CD2-NH1 3.09Å
124S93.3Very high95.7Very high73 Ų7318 Ų1851%0.5110%0.096SC..  trans-61.9113.6178176.40000111.4E126 I127 V128S124-E126 PolarHBondContact O-N 2.88Å; S124-I127 PolarHBondContact O-N 2.76Å; S124-I127 WeakPolarHBondContact OG-CG1 3.41Å; S124-V128 PolarHBondContact O-N 3.13Å
125F93.6Very high95.8Very high18 Ų1818.5 Ų18.58%0.07910%0.098CC..Hα-helixtrans-42.5-58.1176.3165-94.7000113.4L82 L85 G86 L89 F111 F120 H123 I127 V128 A129 Y296L82-F125 HydrophobicContact CD2-CD2 4.38Å; L82-F125 VanDerWaalsContact O-CE2 3.27Å; L82-F125 WeakPolarHBondContact O-CE2 3.49Å; L85-F125 HydrophobicContact CB-CE2 4.47Å; L85-F125 HydrophobicContact CB-CZ 4.08Å; G86-F125 VanDerWaalsContact CA-CZ 3.45Å; L89-F125 HydrophobicContact CD2-CE1 3.74Å; L89-F125 HydrophobicContact CD2-CZ 4.2Å; F111-F125 HydrophobicContact CE2-CD2 4.36Å; F111-F125 HydrophobicContact CE2-CE2 4.37Å; F111-F125 AromaticContact CZ-CD2 3.79Å; F111-F125 HydrophobicContact CZ-CD2 3.79Å; F111-F125 AromaticContact CZ-CE2 3.68Å; F111-F125 HydrophobicContact CZ-CE2 3.68Å; F120-F125 HydrophobicContact CD1-CD2 4.33Å; F120-F125 AromaticContact CE1-CD2 3.99Å; F120-F125 HydrophobicContact CE1-CD2 3.99Å; H123-F125 PolarHBondContact O-N 3.46Å; F125-I127 PolarHBondContact O-N 2.99Å; F125-V128 PolarHBondContact O-N 3.42Å; F125-A129 PolarHBondContact O-N 3.01Å; F125-Y296 HydrophobicContact CD1-CE2 4.09Å; F125-Y296 AromaticContact CE1-CE2 3.73Å; F125-Y296 HydrophobicContact CE1-CE2 3.73Å
126E94.9Very high95.9Very high5 Ų518.5 Ų18.52%0.02310%0.098CC..Hα-helixtrans-68-33.9-176.4-62.5-161.1139.400112.9L89 S124 A129 M130 R157 R160 Y296L89-E126 HydrophobicContact CD2-CG 4.14Å; S124-E126 PolarHBondContact O-N 2.88Å; E126-A129 PolarHBondContact O-N 3.03Å; E126-M130 HydrophobicContact CB-CE 4.26Å; E126-M130 WeakPolarHBondContact O-CB 3.44Å; E126-M130 WeakPolarHBondContact O-CE 3.4Å; E126-M130 WeakPolarHBondContact O-CG 3.4Å; E126-M130 PolarHBondContact O-N 2.93Å; E126-R157 IonicContact OE2-CZ 2.84Å; E126-R157 VanDerWaalsContact OE2-CZ 3.25Å; E126-R157 IonicContact OE2-NE 2.69Å; E126-R157 PolarHBondContact OE2-NE 2.81Å; E126-R157 IonicContact OE2-NH2 2.72Å; E126-R157 PolarHBondContact OE2-NH2 3.48Å; E126-R160 IonicContact OE1-CZ 2.95Å; E126-R160 IonicContact OE1-NH1 2.77Å; E126-R160 PolarHBondContact OE1-NH1 3.49Å; E126-R160 IonicContact OE1-NH2 4Å; E126-R160 PolarHBondContact OE1-NH2 3.35Å; E126-Y296 PolarHBondContact OE1-OH 3.17Å
127I97Very high96Very high18 Ų1817.4 Ų17.49%0.0929%0.094CC..Hα-helixtrans-68.4-38178.1-62.7-69.5000110.7S124 F125 M130 A131 T177 Q180 V181 A184S124-I127 PolarHBondContact O-N 2.76Å; S124-I127 WeakPolarHBondContact OG-CG1 3.41Å; F125-I127 PolarHBondContact O-N 2.99Å; I127-M130 HydrophobicContact CD1-CE 3.95Å; I127-A131 WeakPolarHBondContact O-CB 3.42Å; I127-A131 PolarHBondContact O-N 3.18Å; I127-T177 HydrophobicContact CD1-CG2 4.05Å; I127-Q180 HydrophobicContact CD1-CB 4.13Å; I127-Q180 HydrophobicContact CG2-CB 4.03Å; I127-V181 HydrophobicContact CD1-CG2 4.22Å; I127-V181 HydrophobicContact CG2-CG2 4.39Å; I127-A184 HydrophobicContact CG2-CB 3.77Å
128V97.6Very high96.3Very high4 Ų419.1 Ų19.12%0.02410%0.095CC..Hα-helixtrans-70.1-42.7173.7177.30000110.7F111 F114 F115 H123 S124 F125 M130 A131 C132 V188F111-V128 HydrophobicContact CD2-CG1 4.22Å; F111-V128 HydrophobicContact CE2-CG1 4.48Å; F114-V128 HydrophobicContact CD1-CG1 3.62Å; F114-V128 HydrophobicContact CD1-CG2 4.32Å; F114-V128 HydrophobicContact CE1-CG1 3.99Å; F114-V128 HydrophobicContact CE1-CG2 3.84Å; F114-V128 HydrophobicContact CG-CG1 4.18Å; F114-V128 HydrophobicContact CZ-CG2 4.47Å; F115-V128 HydrophobicContact CD2-CG1 4.32Å; F115-V128 HydrophobicContact CE2-CB 3.74Å; F115-V128 HydrophobicContact CE2-CG1 3.45Å; F115-V128 VanDerWaalsContact CE2-CG1 3.45Å; F115-V128 HydrophobicContact CE2-CG2 4.25Å; F115-V128 HydrophobicContact CZ-CB 3.78Å; F115-V128 HydrophobicContact CZ-CG1 3.9Å; F115-V128 HydrophobicContact CZ-CG2 3.82Å; H123-V128 HydrophobicContact CB-CG2 4.19Å; S124-V128 PolarHBondContact O-N 3.13Å; F125-V128 PolarHBondContact O-N 3.42Å; V128-M130 VanDerWaalsContact C-N 3.34Å; V128-M130 PolarHBondContact O-N 2.88Å; V128-A131 CarbonylContact O-C 3.53Å; V128-A131 WeakPolarHBondContact O-CA 3.14Å; V128-A131 WeakPolarHBondContact O-CB 3.4Å; V128-A131 PolarHBondContact O-N 2.97Å; V128-C132 PolarHBondContact O-N 3.17Å; V128-C132 PolarHBondContact O-SG 3.11Å; V128-V188 HydrophobicContact CG1-CG2 4.35Å
129A97.8Very high96.3Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-58.1-43.6174.600000112.4L89 I90 F111 F125 E126 A131 C132 I133 F153L89-A129 HydrophobicContact CD2-CB 4.46Å; I90-A129 HydrophobicContact CD1-CB 4.35Å; I90-A129 HydrophobicContact CG1-CB 4.08Å; F111-A129 HydrophobicContact CD2-CB 4.23Å; F111-A129 HydrophobicContact CE2-CB 3.95Å; F125-A129 PolarHBondContact O-N 3.01Å; E126-A129 PolarHBondContact O-N 3.03Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 2.67Å; A129-C132 PolarHBondContact O-N 3.47Å; A129-I133 WeakPolarHBondContact O-CG2 3.16Å; A129-I133 PolarHBondContact O-N 2.56Å; A129-I133 VanDerWaalsContact O-N 3.11Å; A129-F153 HydrophobicContact CB-CE1 3.77Å; A129-F153 HydrophobicContact CB-CZ 3.98Å
130M98.1Very high96.3Very high7 Ų722 Ų223%0.03411%0.11CC..Hα-helixtrans-60.7-37.7171.7-79.9-174.1-9700112.9E126 I127 V128 I133 N134 V149 I150 F153 V181E126-M130 HydrophobicContact CB-CE 4.26Å; E126-M130 WeakPolarHBondContact O-CB 3.44Å; E126-M130 WeakPolarHBondContact O-CE 3.4Å; E126-M130 WeakPolarHBondContact O-CG 3.4Å; E126-M130 PolarHBondContact O-N 2.93Å; I127-M130 HydrophobicContact CD1-CE 3.95Å; V128-M130 VanDerWaalsContact C-N 3.34Å; V128-M130 PolarHBondContact O-N 2.88Å; M130-I133 WeakPolarHBondContact O-CG2 3.39Å; M130-N134 WeakPolarHBondContact O-CB 3.42Å; M130-N134 PolarHBondContact O-N 2.95Å; M130-N134 VanDerWaalsContact O-N 3.17Å; M130-V149 HydrophobicContact CB-CG1 4.19Å; M130-V149 HydrophobicContact CG-CG1 4.07Å; M130-I150 HydrophobicContact SD-CG1 3.98Å; M130-F153 HydrophobicContact CB-CZ 4.46Å; M130-F153 HydrophobicContact CE-CB 4.2Å; M130-F153 HydrophobicContact CE-CD1 4.09Å; M130-F153 HydrophobicContact CE-CG 4.3Å; M130-F153 HydrophobicContact CG-CB 3.99Å; M130-F153 HydrophobicContact CG-CD1 3.42Å; M130-F153 VanDerWaalsContact CG-CD1 3.42Å; M130-F153 HydrophobicContact CG-CD2 3.51Å; M130-F153 HydrophobicContact CG-CE1 3.62Å; M130-F153 HydrophobicContact CG-CE2 3.72Å; M130-F153 HydrophobicContact CG-CG 3.34Å; M130-F153 HydrophobicContact CG-CZ 3.77Å; M130-F153 HydrophobicContact SD-CB 3.82Å; M130-F153 HydrophobicContact SD-CD1 4.18Å; M130-F153 HydrophobicContact SD-CD2 4.38Å; M130-F153 HydrophobicContact SD-CG 3.88Å; M130-V181 HydrophobicContact CB-CG1 4.12Å; M130-V181 HydrophobicContact CB-CG2 3.77Å; M130-V181 HydrophobicContact CE-CG2 4.47Å; M130-V181 HydrophobicContact CG-CG2 4.46Å; M130-V181 HydrophobicContact SD-CG2 3.9Å
131A98Very high96.3Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-70.8-44.4177.300000112.4I127 V128 A129 N134 L135 A184 E185I127-A131 WeakPolarHBondContact O-CB 3.42Å; I127-A131 PolarHBondContact O-N 3.18Å; V128-A131 CarbonylContact O-C 3.53Å; V128-A131 WeakPolarHBondContact O-CA 3.14Å; V128-A131 WeakPolarHBondContact O-CB 3.4Å; V128-A131 PolarHBondContact O-N 2.97Å; A129-A131 VanDerWaalsContact C-N 3.32Å; A129-A131 PolarHBondContact O-N 2.67Å; A131-N134 PolarHBondContact O-N 3.18Å; A131-L135 VanDerWaalsContact O-CB 3.23Å; A131-L135 WeakPolarHBondContact O-CB 3.42Å; A131-L135 PolarHBondContact O-N 2.66Å; A131-A184 HydrophobicContact CB-CB 3.75Å; A131-E185 HydrophobicContact CB-CB 4.19Å
132C98Very high96.3Very high0 Ų030.4 Ų30.40%015%0.152CC..Hα-helixtrans-61.7-44.9178.9-690000111.8I90 F111 V128 A129 L135 A136I90-C132 HydrophobicContact CD1-CB 4.32Å; F111-C132 HydrophobicContact CB-CB 4.28Å; V128-C132 PolarHBondContact O-N 3.17Å; V128-C132 PolarHBondContact O-SG 3.11Å; A129-C132 PolarHBondContact O-N 3.47Å; C132-L135 PolarHBondContact O-N 2.93Å; C132-A136 VanDerWaalsContact O-CB 3.29Å; C132-A136 WeakPolarHBondContact O-CB 3.35Å; C132-A136 PolarHBondContact O-N 3.48Å
133I97.8Very high96.4Very high1 Ų129.4 Ų29.41%0.00516%0.156CC..Hα-helixtrans-71.5-35.3178.1-162171.7000112.8I90 A93 L97 L99 A129 M130 S137 V149 F153I90-I133 HydrophobicContact CG2-CB 4.41Å; I90-I133 HydrophobicContact CG2-CD1 4.23Å; I90-I133 HydrophobicContact CG2-CG1 4.39Å; I90-I133 WeakPolarHBondContact O-CD1 3.26Å; A93-I133 HydrophobicContact CB-CD1 3.78Å; L97-I133 HydrophobicContact CD1-CD1 4.03Å; L99-I133 HydrophobicContact CD1-CD1 3.98Å; L99-I133 HydrophobicContact CD1-CG1 3.68Å; A129-I133 WeakPolarHBondContact O-CG2 3.16Å; A129-I133 PolarHBondContact O-N 2.56Å; A129-I133 VanDerWaalsContact O-N 3.11Å; M130-I133 WeakPolarHBondContact O-CG2 3.39Å; I133-S137 WeakPolarHBondContact O-CB 3.42Å; I133-S137 PolarHBondContact O-N 2.99Å; I133-V149 HydrophobicContact CG2-CG1 3.8Å; I133-F153 HydrophobicContact CG2-CE2 4.02Å; I133-F153 HydrophobicContact CG2-CZ 4.38Å
134N97.3Very high96.5Very high1 Ų132 Ų321%0.00516%0.164CC..Hα-helixtrans-65.1-41.4174.3-172.586.6000111.2M130 A131 S137 K138 I146 V149 E185M130-N134 WeakPolarHBondContact O-CB 3.42Å; M130-N134 PolarHBondContact O-N 2.95Å; M130-N134 VanDerWaalsContact O-N 3.17Å; A131-N134 PolarHBondContact O-N 3.18Å; N134-S137 PolarHBondContact O-OG 3.38Å; N134-K138 PolarHBondContact ND2-NZ 3.14Å; N134-I146 WeakPolarHBondContact OD1-CG1 3.35Å; N134-V149 HydrophobicContact CB-CG2 4.48Å; N134-E185 PolarHBondContact ND2-OE1 3.17Å
135L97.5Very high96.6Very high11 Ų1137.7 Ų37.76%0.05818%0.175CC..Hα-helixtrans-67.2-49175.9177.755.3000111.8L110 A131 C132 S137 K138 I139 E185 V188 L189 V196L110-L135 HydrophobicContact CD1-CD2 4.25Å; L110-L135 HydrophobicContact CD1-CG 4.25Å; A131-L135 VanDerWaalsContact O-CB 3.23Å; A131-L135 WeakPolarHBondContact O-CB 3.42Å; A131-L135 PolarHBondContact O-N 2.66Å; C132-L135 PolarHBondContact O-N 2.93Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.43Å; L135-K138 WeakPolarHBondContact O-CB 3.25Å; L135-K138 PolarHBondContact O-N 3.14Å; L135-I139 HydrophobicContact CD1-CD1 3.99Å; L135-I139 HydrophobicContact CD1-CG1 4.34Å; L135-I139 HydrophobicContact CG-CD1 3.8Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 3.06Å; L135-I139 VanDerWaalsContact O-N 3.1Å; L135-E185 HydrophobicContact CB-CG 4.5Å; L135-V188 HydrophobicContact CD2-CB 4.35Å; L135-V188 HydrophobicContact CD2-CG1 3.82Å; L135-L189 HydrophobicContact CD1-CD1 4.48Å; L135-L189 HydrophobicContact CD1-CD2 4Å; L135-L189 HydrophobicContact CD1-CG 4.33Å; L135-L189 HydrophobicContact CD2-CD2 4.06Å; L135-L189 HydrophobicContact CD2-CG 4.07Å; L135-V196 HydrophobicContact CD2-CG1 4.41Å
136A97.7Very high96.7Very high0 Ų038.6 Ų38.60%018%0.18CC..Hα-helixtrans-59.9-36.3176.700000112.6A103 T106 L110 C132 K138 I139 E140A103-A136 VanDerWaalsContact O-CB 3.3Å; A103-A136 WeakPolarHBondContact O-CB 3.3Å; T106-A136 HydrophobicContact CG2-CB 3.87Å; L110-A136 HydrophobicContact CD1-CB 4.34Å; C132-A136 VanDerWaalsContact O-CB 3.29Å; C132-A136 WeakPolarHBondContact O-CB 3.35Å; C132-A136 PolarHBondContact O-N 3.48Å; A136-K138 PolarHBondContact O-N 2.78Å; A136-I139 PolarHBondContact O-N 3.4Å; A136-E140 PolarHBondContact O-N 3.48Å; A136-E140 VanDerWaalsContact O-N 3.08Å
137S97.2Very high96.7Very high1 Ų143.8 Ų43.81%0.00720%0.199CC..Hα-helixtrans-60.5-27.617480.30000113.2I133 N134 L135 A142 P143 R144I133-S137 WeakPolarHBondContact O-CB 3.42Å; I133-S137 PolarHBondContact O-N 2.99Å; N134-S137 PolarHBondContact O-OG 3.38Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.43Å; S137-A142 CarbonylContact O-C 2.9Å; S137-A142 WeakPolarHBondContact O-CA 3.49Å; S137-A142 PolarHBondContact O-N 2.87Å; S137-P143 VanDerWaalsContact O-CA 3.31Å; S137-P143 WeakPolarHBondContact O-CA 3.38Å; S137-R144 PolarHBondContact OG-N 3.18Å
138K96.8Very high96.7Very high86 Ų8645.7 Ų45.737%0.37421%0.21SC..Hα-helixtrans-82.3-40.1175.2-61.1165.4-178.4173.90111.8N134 L135 A136 E141 E185N134-K138 PolarHBondContact ND2-NZ 3.14Å; L135-K138 WeakPolarHBondContact O-CB 3.25Å; L135-K138 PolarHBondContact O-N 3.14Å; A136-K138 PolarHBondContact O-N 2.78Å; K138-E141 PolarHBondContact O-N 2.98Å; K138-E185 IonicContact NZ-OE1 2.69Å; K138-E185 PolarHBondContact NZ-OE1 2.86Å; K138-E185 IonicContact NZ-OE2 2.84Å; K138-E185 PolarHBondContact NZ-OE2 3.15Å
139I95.8Very high96.7Very high51 Ų5145.5 Ų45.526%0.26221%0.209SC..Hα-helixtrans-63.6-41.4-178.1-66.8160.7000111.3T106 L110 L135 A136 E141 V196T106-I139 HydrophobicContact CG2-CD1 4.37Å; T106-I139 HydrophobicContact CG2-CG2 4.37Å; L110-I139 HydrophobicContact CD1-CD1 3.82Å; L135-I139 HydrophobicContact CD1-CD1 3.99Å; L135-I139 HydrophobicContact CD1-CG1 4.34Å; L135-I139 HydrophobicContact CG-CD1 3.8Å; L135-I139 WeakPolarHBondContact O-CG1 3.35Å; L135-I139 PolarHBondContact O-N 3.06Å; L135-I139 VanDerWaalsContact O-N 3.1Å; A136-I139 PolarHBondContact O-N 3.4Å; I139-E141 PolarHBondContact O-N 3.21Å; I139-V196 HydrophobicContact CD1-CB 3.67Å; I139-V196 HydrophobicContact CD1-CG1 4.5Å; I139-V196 HydrophobicContact CD1-CG2 3.66Å; I139-V196 HydrophobicContact CG1-CG2 4.07Å
140E95.6Very high96.6Very high59 Ų5945.9 Ų45.928%0.27621%0.21SC..THydrogen-bonded Turntrans-88.523.4178-51-57.3150.400113.4V102 A103 T106 A136 A142V102-E140 HydrophobicContact CG1-CG 4.39Å; V102-E140 WeakPolarHBondContact CG1-OE2 3.48Å; A103-E140 HydrophobicContact CB-CB 3.94Å; A103-E140 HydrophobicContact CB-CG 3.7Å; T106-E140 WeakPolarHBondContact CB-OE1 3.34Å; T106-E140 PolarHBondContact OG1-OE1 3.14Å; A136-E140 PolarHBondContact O-N 3.48Å; A136-E140 VanDerWaalsContact O-N 3.08Å; E140-A142 PolarHBondContact O-N 2.96Å
141E95Very high96.5Very high165 Ų16548.1 Ų48.177%0.77122%0.222SC*.THydrogen-bonded Turntrans49.229.1179.4-65.5-60.9158.100115.3K138 I139 P143K138-E141 PolarHBondContact O-N 2.98Å; I139-E141 PolarHBondContact O-N 3.21Å; E141-P143 WeakPolarHBondContact O-CD 3.43Å
142A95.1Very high96.3Very high17 Ų1749 Ų4914%0.1423%0.228CC..  trans-120.449.4179.800000112.5L99 P100 S137 E140 R144L99-A142 HydrophobicContact CD2-CB 4.26Å; L99-A142 WeakPolarHBondContact CD2-O 3.34Å; P100-A142 HydrophobicContact CG-CB 4.27Å; S137-A142 CarbonylContact O-C 2.9Å; S137-A142 WeakPolarHBondContact O-CA 3.49Å; S137-A142 PolarHBondContact O-N 2.87Å; E140-A142 PolarHBondContact O-N 2.96Å; A142-R144 PolarHBondContact O-NH1 3.1Å
143P96Very high96.2Very high76 Ų7649.2 Ų49.249%0.49423%0.229SC..  trans-62.5149.2-165.924.2-35.1000113.2S137 E141S137-P143 VanDerWaalsContact O-CA 3.31Å; S137-P143 WeakPolarHBondContact O-CA 3.38Å; E141-P143 WeakPolarHBondContact O-CD 3.43Å
144R96.2Very high96Very high79 Ų7951.8 Ų51.830%0.29824%0.241SC..  trans-123.5157173.2-60.5-66.9176.5-93.3-0.3110L97 R98 L99 S137 A142 V149L97-R144 HydrophobicContact CB-CG 4.41Å; L97-R144 PolarHBondContact O-NE 2.93Å; R98-R144 PolarHBondContact O-NH2 2.99Å; L99-R144 HydrophobicContact CD2-CG 3.81Å; L99-R144 HydrophobicContact CG-CG 4.41Å; S137-R144 PolarHBondContact OG-N 3.18Å; A142-R144 PolarHBondContact O-NH1 3.1Å; R144-V149 HydrophobicContact CB-CG2 4.44Å
145R95.7Very high95.8Very high193 Ų19354.8 Ų54.873%0.72826%0.255SS*.  trans-77.9137.8177.5-51.3172.5167.8179.3-4108.3R147 D148 V149R145-R147 PolarHBondContact O-N 3.16Å; R145-D148 VanDerWaalsContact CB-OD2 3.24Å; R145-D148 WeakPolarHBondContact CB-OD2 3.44Å; R145-D148 WeakPolarHBondContact CG-OD2 3.31Å; R145-D148 WeakPolarHBondContact O-CA 3.34Å; R145-D148 WeakPolarHBondContact O-CB 3.45Å; R145-D148 PolarHBondContact O-N 3.37Å; R145-V149 PolarHBondContact O-N 3.36Å
146I95.6Very high95.6Very high37 Ų3755.2 Ų55.219%0.1926%0.257CS..Hα-helixtrans-53.1-33.1177.8-63.1162.4000111.8N134 D148 V149 I150 K178 V181 I182N134-I146 WeakPolarHBondContact OD1-CG1 3.35Å; I146-D148 VanDerWaalsContact C-N 3.33Å; I146-D148 PolarHBondContact O-N 2.87Å; I146-V149 PolarHBondContact O-N 2.96Å; I146-I150 HydrophobicContact CG2-CD1 3.79Å; I146-I150 HydrophobicContact CG2-CG1 4.39Å; I146-I150 VanDerWaalsContact O-CG1 3.3Å; I146-I150 WeakPolarHBondContact O-CG1 3.3Å; I146-I150 PolarHBondContact O-N 3.22Å; I146-K178 HydrophobicContact CG2-CG 4.08Å; I146-V181 HydrophobicContact CG2-CG1 4.39Å; I146-I182 HydrophobicContact CD1-CD1 4.11Å; I146-I182 HydrophobicContact CD1-CG1 3.82Å
147R95.5Very high95.3Very high114 Ų11461.6 Ų61.643%0.4328%0.281SS..Hα-helixtrans-60.5-41.4174.1-177.3174.4176.2-177-6.6112.3R145 I150 N151 Y174R145-R147 PolarHBondContact O-N 3.16Å; R147-I150 PolarHBondContact O-N 3.05Å; R147-N151 WeakPolarHBondContact O-CB 3.33Å; R147-N151 PolarHBondContact O-N 2.84Å; R147-N151 PolarHBondContact O-ND2 3.33Å; R147-N151 PolarHBondContact O-OD1 2.87Å; R147-Y174 HydrophobicContact CG-CE2 4.37Å
148D96.1Very high94.9Very high58 Ų5862.3 Ų62.331%0.3128%0.284SS..Hα-helixtrans-71-38.6-177-48.7-25.9000109.9L97 R145 I146 N151 V152L97-D148 HydrophobicContact CD2-CB 4.07Å; R145-D148 VanDerWaalsContact CB-OD2 3.24Å; R145-D148 WeakPolarHBondContact CB-OD2 3.44Å; R145-D148 WeakPolarHBondContact CG-OD2 3.31Å; R145-D148 WeakPolarHBondContact O-CA 3.34Å; R145-D148 WeakPolarHBondContact O-CB 3.45Å; R145-D148 PolarHBondContact O-N 3.37Å; I146-D148 VanDerWaalsContact C-N 3.33Å; I146-D148 PolarHBondContact O-N 2.87Å; D148-N151 WeakPolarHBondContact O-CB 3.16Å; D148-N151 PolarHBondContact O-N 3.3Å; D148-V152 WeakPolarHBondContact O-CB 3.28Å; D148-V152 WeakPolarHBondContact O-CG2 3.15Å; D148-V152 PolarHBondContact O-N 3.19Å
149V97Very high94.5Very high0 Ų062.7 Ų62.70%029%0.29CS..Hα-helixtrans-58.6-49.1171.1-176.90000110.9L97 M130 I133 N134 R144 R145 I146 V152 F153L97-V149 HydrophobicContact CD1-CG2 3.99Å; L97-V149 HydrophobicContact CD2-CG2 4.47Å; M130-V149 HydrophobicContact CB-CG1 4.19Å; M130-V149 HydrophobicContact CG-CG1 4.07Å; I133-V149 HydrophobicContact CG2-CG1 3.8Å; N134-V149 HydrophobicContact CB-CG2 4.48Å; R144-V149 HydrophobicContact CB-CG2 4.44Å; R145-V149 PolarHBondContact O-N 3.36Å; I146-V149 PolarHBondContact O-N 2.96Å; V149-V152 PolarHBondContact O-N 2.7Å; V149-F153 HydrophobicContact CG1-CD2 4.12Å; V149-F153 HydrophobicContact CG1-CE2 4.13Å; V149-F153 WeakPolarHBondContact O-CD2 3.13Å; V149-F153 PolarHBondContact O-N 3.12Å
150I96.5Very high93.9Very high7 Ų764.4 Ų64.44%0.03629%0.293CS..Hα-helixtrans-66.5-39.4179.5-62.1165.1000111.3M130 I146 R147 V152 F153 H154 L168 Y174 T177 K178M130-I150 HydrophobicContact SD-CG1 3.98Å; I146-I150 HydrophobicContact CG2-CD1 3.79Å; I146-I150 HydrophobicContact CG2-CG1 4.39Å; I146-I150 VanDerWaalsContact O-CG1 3.3Å; I146-I150 WeakPolarHBondContact O-CG1 3.3Å; I146-I150 PolarHBondContact O-N 3.22Å; R147-I150 PolarHBondContact O-N 3.05Å; I150-V152 VanDerWaalsContact C-N 3.3Å; I150-V152 PolarHBondContact O-N 2.95Å; I150-F153 PolarHBondContact O-N 3.25Å; I150-H154 VanDerWaalsContact O-CB 3.26Å; I150-H154 WeakPolarHBondContact O-CB 3.49Å; I150-H154 PolarHBondContact O-N 3.21Å; I150-L168 HydrophobicContact CB-CD2 4.45Å; I150-L168 HydrophobicContact CG2-CD2 3.75Å; I150-Y174 HydrophobicContact CD1-CD2 4.43Å; I150-Y174 HydrophobicContact CD1-CE2 4.05Å; I150-Y174 HydrophobicContact CG2-CD2 4.21Å; I150-Y174 HydrophobicContact CG2-CE2 4.46Å; I150-T177 HydrophobicContact CD1-CG2 4.46Å; I150-T177 HydrophobicContact CG2-CG2 4.25Å; I150-K178 HydrophobicContact CD1-CB 3.9Å; I150-K178 HydrophobicContact CD1-CG 4.44Å
151N95.1Very high93.3Very high54 Ų5463 Ų6329%0.28930%0.295SS..Hα-helixtrans-56.2-45.3173.2-69-23.2000111.2R147 D148 H154 H155 L168R147-N151 WeakPolarHBondContact O-CB 3.33Å; R147-N151 PolarHBondContact O-N 2.84Å; R147-N151 PolarHBondContact O-ND2 3.33Å; R147-N151 PolarHBondContact O-OD1 2.87Å; D148-N151 WeakPolarHBondContact O-CB 3.16Å; D148-N151 PolarHBondContact O-N 3.3Å; N151-H154 PolarHBondContact O-N 3.39Å; N151-H155 WeakPolarHBondContact O-CB 3.17Å; N151-H155 PolarHBondContact O-N 2.72Å; N151-L168 VanDerWaalsContact OD1-CD2 3.22Å; N151-L168 WeakPolarHBondContact OD1-CD2 3.3Å
152V95.6Very high92.5Very high20 Ų2064.8 Ų64.812%0.12130%0.3CS..Hα-helixtrans-68.2-43.9-178.9163.90000111.8A93 L96 L97 D148 V149 I150 H154 H155 L156A93-V152 HydrophobicContact CB-CG1 3.76Å; L96-V152 HydrophobicContact CB-CG1 3.77Å; L96-V152 HydrophobicContact CB-CG2 4.02Å; L96-V152 HydrophobicContact CD1-CG1 3.92Å; L97-V152 HydrophobicContact CD2-CB 4.41Å; L97-V152 HydrophobicContact CD2-CG2 3.85Å; L97-V152 HydrophobicContact CG-CB 4.4Å; L97-V152 HydrophobicContact CG-CG1 4.42Å; L97-V152 HydrophobicContact CG-CG2 4.06Å; D148-V152 WeakPolarHBondContact O-CB 3.28Å; D148-V152 WeakPolarHBondContact O-CG2 3.15Å; D148-V152 PolarHBondContact O-N 3.19Å; V149-V152 PolarHBondContact O-N 2.7Å; I150-V152 VanDerWaalsContact C-N 3.3Å; I150-V152 PolarHBondContact O-N 2.95Å; V152-H154 PolarHBondContact O-N 3.42Å; V152-H155 PolarHBondContact O-N 3.38Å; V152-L156 HydrophobicContact CG1-CD1 3.88Å; V152-L156 WeakPolarHBondContact O-CG 3.5Å; V152-L156 PolarHBondContact O-N 3.39Å
153F95.3Very high91.7Very high4 Ų472.9 Ų72.92%0.01833%0.327CS..Hα-helixtrans-65.8-37.3175.3-86.9-111.2000112.4L89 A93 A129 M130 I133 V149 I150 L156 R157L89-F153 HydrophobicContact CD1-CE1 4.39Å; L89-F153 HydrophobicContact CD2-CD1 3.97Å; L89-F153 HydrophobicContact CD2-CE1 3.53Å; L89-F153 HydrophobicContact CD2-CZ 4.48Å; L89-F153 HydrophobicContact CG-CD1 4.19Å; L89-F153 HydrophobicContact CG-CE1 3.63Å; L89-F153 HydrophobicContact CG-CZ 4.19Å; A93-F153 HydrophobicContact CB-CD2 3.95Å; A93-F153 HydrophobicContact CB-CE2 3.37Å; A93-F153 HydrophobicContact CB-CZ 4.04Å; A129-F153 HydrophobicContact CB-CE1 3.77Å; A129-F153 HydrophobicContact CB-CZ 3.98Å; M130-F153 HydrophobicContact CB-CZ 4.46Å; M130-F153 HydrophobicContact CE-CB 4.2Å; M130-F153 HydrophobicContact CE-CD1 4.09Å; M130-F153 HydrophobicContact CE-CG 4.3Å; M130-F153 HydrophobicContact CG-CB 3.99Å; M130-F153 HydrophobicContact CG-CD1 3.42Å; M130-F153 VanDerWaalsContact CG-CD1 3.42Å; M130-F153 HydrophobicContact CG-CD2 3.51Å; M130-F153 HydrophobicContact CG-CE1 3.62Å; M130-F153 HydrophobicContact CG-CE2 3.72Å; M130-F153 HydrophobicContact CG-CG 3.34Å; M130-F153 HydrophobicContact CG-CZ 3.77Å; M130-F153 HydrophobicContact SD-CB 3.82Å; M130-F153 HydrophobicContact SD-CD1 4.18Å; M130-F153 HydrophobicContact SD-CD2 4.38Å; M130-F153 HydrophobicContact SD-CG 3.88Å; I133-F153 HydrophobicContact CG2-CE2 4.02Å; I133-F153 HydrophobicContact CG2-CZ 4.38Å; V149-F153 HydrophobicContact CG1-CD2 4.12Å; V149-F153 HydrophobicContact CG1-CE2 4.13Å; V149-F153 WeakPolarHBondContact O-CD2 3.13Å; V149-F153 PolarHBondContact O-N 3.12Å; I150-F153 PolarHBondContact O-N 3.25Å; F153-L156 PolarHBondContact O-N 2.87Å; F153-R157 WeakPolarHBondContact O-CB 3.33Å; F153-R157 PolarHBondContact O-N 2.97Å
154H93.3Very high90.8Very high55 Ų5575.2 Ų75.226%0.25534%0.34SS..Hα-helixtrans-60.3-45.4172.5-178.3-110.2000111.6I150 N151 V152 R157 Q158 S166 L168I150-H154 VanDerWaalsContact O-CB 3.26Å; I150-H154 WeakPolarHBondContact O-CB 3.49Å; I150-H154 PolarHBondContact O-N 3.21Å; N151-H154 PolarHBondContact O-N 3.39Å; V152-H154 PolarHBondContact O-N 3.42Å; H154-R157 PolarHBondContact O-N 3.34Å; H154-Q158 PolarHBondContact CE1-NE2 2.72Å; H154-Q158 PolarHBondContact ND1-NE2 2.84Å; H154-Q158 WeakPolarHBondContact O-CG 3.38Å; H154-Q158 PolarHBondContact O-N 2.78Å; H154-Q158 VanDerWaalsContact O-N 3.09Å; H154-S166 PolarHBondContact CE1-O 3.23Å; H154-L168 HydrophobicContact CB-CD1 4.11Å
155H92.9Very high90Very high64 Ų6475.7 Ų75.730%0.29635%0.353SS..Hα-helixtrans-63.9-45.8176.1-177.250.3000112.5N151 V152 R157 Q158 L159N151-H155 WeakPolarHBondContact O-CB 3.17Å; N151-H155 PolarHBondContact O-N 2.72Å; V152-H155 PolarHBondContact O-N 3.38Å; H155-R157 VanDerWaalsContact C-N 3.32Å; H155-R157 PolarHBondContact O-N 2.87Å; H155-Q158 WeakPolarHBondContact O-CB 3.4Å; H155-Q158 PolarHBondContact O-N 2.77Å; H155-Q158 VanDerWaalsContact O-N 3.14Å; H155-L159 WeakPolarHBondContact O-CG 3.28Å; H155-L159 PolarHBondContact O-N 3.33Å
156L93.1Very high89.4Confident20 Ų2069.6 Ų69.611%0.10534%0.34CS..Hα-helixtrans-59.6-41.4176-72.5166000111.8L89 A92 A93 L96 V152 F153 Q158 L159 R160L89-L156 HydrophobicContact CD1-CB 4.19Å; L89-L156 HydrophobicContact CD1-CD1 4.01Å; A92-L156 HydrophobicContact CB-CD1 4.29Å; A92-L156 HydrophobicContact CB-CD2 3.96Å; A93-L156 HydrophobicContact CB-CD1 3.83Å; L96-L156 HydrophobicContact CD1-CD1 4.21Å; L96-L156 HydrophobicContact CD1-CD2 3.75Å; L96-L156 HydrophobicContact CD1-CG 3.88Å; V152-L156 HydrophobicContact CG1-CD1 3.88Å; V152-L156 WeakPolarHBondContact O-CG 3.5Å; V152-L156 PolarHBondContact O-N 3.39Å; F153-L156 PolarHBondContact O-N 2.87Å; L156-Q158 VanDerWaalsContact C-N 3.34Å; L156-Q158 PolarHBondContact O-N 2.66Å; L156-L159 PolarHBondContact O-N 2.93Å; L156-R160 WeakPolarHBondContact O-CG 3.41Å; L156-R160 PolarHBondContact O-N 2.96Å
157R90.8Very high88.8Confident133 Ų13373.1 Ų73.150%0.50237%0.365SS..Hα-helixtrans-61.8-39.3175.2-168.2-169-78.9-171.8-5.3112.1E126 F153 H154 H155 G161E126-R157 IonicContact OE2-CZ 2.84Å; E126-R157 VanDerWaalsContact OE2-CZ 3.25Å; E126-R157 IonicContact OE2-NE 2.69Å; E126-R157 PolarHBondContact OE2-NE 2.81Å; E126-R157 IonicContact OE2-NH2 2.72Å; E126-R157 PolarHBondContact OE2-NH2 3.48Å; F153-R157 WeakPolarHBondContact O-CB 3.33Å; F153-R157 PolarHBondContact O-N 2.97Å; H154-R157 PolarHBondContact O-N 3.34Å; H155-R157 VanDerWaalsContact C-N 3.32Å; H155-R157 PolarHBondContact O-N 2.87Å; R157-G161 PolarHBondContact O-N 2.91Å; R157-G161 VanDerWaalsContact O-N 3.15Å
158Q89.2Confident88.3Confident16 Ų1669.4 Ų69.48%0.07535%0.354CS..Hα-helixtrans-63.8-45.4174.4-68.8164.8-12.900112.2H154 H155 L156 G161 K162 R163 S166H154-Q158 PolarHBondContact CE1-NE2 2.72Å; H154-Q158 PolarHBondContact ND1-NE2 2.84Å; H154-Q158 WeakPolarHBondContact O-CG 3.38Å; H154-Q158 PolarHBondContact O-N 2.78Å; H154-Q158 VanDerWaalsContact O-N 3.09Å; H155-Q158 WeakPolarHBondContact O-CB 3.4Å; H155-Q158 PolarHBondContact O-N 2.77Å; H155-Q158 VanDerWaalsContact O-N 3.14Å; L156-Q158 VanDerWaalsContact C-N 3.34Å; L156-Q158 PolarHBondContact O-N 2.66Å; Q158-G161 CarbonylContact O-C 3.48Å; Q158-G161 PolarHBondContact O-N 3.49Å; Q158-K162 PolarHBondContact O-N 2.98Å; Q158-K162 VanDerWaalsContact O-N 3.17Å; Q158-R163 PolarHBondContact O-N 2.93Å; Q158-S166 VanDerWaalsContact NE2-N 3.16Å; Q158-S166 PolarHBondContact NE2-O 2.69Å; Q158-S166 PolarHBondContact NE2-OG 3.17Å
159L88Confident87.8Confident94 Ų9472.5 Ų72.549%0.49237%0.369SS..Hα-helixtrans-60.8-44.7178.2-68.5175.8000111.6H155 L156 G161 K162H155-L159 WeakPolarHBondContact O-CG 3.28Å; H155-L159 PolarHBondContact O-N 3.33Å; L156-L159 PolarHBondContact O-N 2.93Å; L159-G161 VanDerWaalsContact C-N 3.34Å; L159-G161 PolarHBondContact O-N 3.17Å; L159-K162 PolarHBondContact O-N 3.43Å
160R85.2Confident87.4Confident88 Ų8876.7 Ų76.733%0.33239%0.391SS..Hα-helixtrans-57.5-46.9174.1-65.7-162.4-45-108.92.9111.7E126 L156 K162E126-R160 IonicContact OE1-CZ 2.95Å; E126-R160 IonicContact OE1-NH1 2.77Å; E126-R160 PolarHBondContact OE1-NH1 3.49Å; E126-R160 IonicContact OE1-NH2 4Å; E126-R160 PolarHBondContact OE1-NH2 3.35Å; L156-R160 WeakPolarHBondContact O-CG 3.41Å; L156-R160 PolarHBondContact O-N 2.96Å; R160-K162 PolarHBondContact O-N 3.43Å
161G81.6Confident87.1Confident30 Ų3079.1 Ų79.131%0.30940%0.404SS..THydrogen-bonded Turntrans-76.68-179.500000115.4R157 Q158 L159 R163R157-G161 PolarHBondContact O-N 2.91Å; R157-G161 VanDerWaalsContact O-N 3.15Å; Q158-G161 CarbonylContact O-C 3.48Å; Q158-G161 PolarHBondContact O-N 3.49Å; L159-G161 VanDerWaalsContact C-N 3.34Å; L159-G161 PolarHBondContact O-N 3.17Å; G161-R163 WeakPolarHBondContact O-CG 3.3Å; G161-R163 PolarHBondContact O-N 3.26Å; G161-R163 VanDerWaalsContact O-N 3.1Å
162K78.6Confident87Confident202 Ų20281.9 Ų81.988%0.87842%0.415SS*.THydrogen-bonded Turntrans51.928.1-175.8-57.3-179.2-179.1177.50114.2Q158 L159 R160Q158-K162 PolarHBondContact O-N 2.98Å; Q158-K162 VanDerWaalsContact O-N 3.17Å; L159-K162 PolarHBondContact O-N 3.43Å; R160-K162 PolarHBondContact O-N 3.43Å
163R77.6Confident86.8Confident187 Ų18785.9 Ų85.971%0.70644%0.436SS*.PPolyproline II helixtrans-87152-178-58.8-169.6-178.2178.80.1110.7Q158 G161Q158-R163 PolarHBondContact O-N 2.93Å; G161-R163 WeakPolarHBondContact O-CG 3.3Å; G161-R163 PolarHBondContact O-N 3.26Å; G161-R163 VanDerWaalsContact O-N 3.1Å
164T78Confident86.7Confident125 Ų12587.1 Ų87.177%0.76744%0.441SS*.PPolyproline II helixtrans-56.8130.5167.7420000109.6S166T164-S166 PolarHBondContact O-N 3.12Å; T164-S166 VanDerWaalsContact O-N 3.15Å
165P78.8Confident86.8Confident89 Ų8987.9 Ų87.958%0.57845%0.446SS*.PPolyproline II helixtrans-62.3118.2179.4-25.635.4000111.3
166S83.2Confident87Confident64 Ų6488 Ų8845%0.44845%0.448SS..  trans-113.1145.8177.270.90000111.4H154 Q158 T164H154-S166 PolarHBondContact CE1-O 3.23Å; Q158-S166 VanDerWaalsContact NE2-N 3.16Å; Q158-S166 PolarHBondContact NE2-O 2.69Å; Q158-S166 PolarHBondContact NE2-OG 3.17Å; T164-S166 PolarHBondContact O-N 3.12Å; T164-S166 VanDerWaalsContact O-N 3.15Å
167P84.1Confident87.1Confident112 Ų11288.9 Ų88.973%0.72746%0.455SS*.  trans-63.8144.9179.127.1-34.8000111.1I169P167-I169 PolarHBondContact O-N 3.25Å
168L84.9Confident87.4Confident35 Ų3586.4 Ų86.418%0.18345%0.448CS..  trans-66.7115.8174.3-179.768.8000110I150 N151 H154 Y174I150-L168 HydrophobicContact CB-CD2 4.45Å; I150-L168 HydrophobicContact CG2-CD2 3.75Å; N151-L168 VanDerWaalsContact OD1-CD2 3.22Å; N151-L168 WeakPolarHBondContact OD1-CD2 3.3Å; H154-L168 HydrophobicContact CB-CD1 4.11Å; L168-Y174 HydrophobicContact CD2-CD2 3.76Å; L168-Y174 HydrophobicContact CD2-CE2 4.15Å
169I84.4Confident87.8Confident123 Ų12389.9 Ų89.963%0.63147%0.467SS*.  trans-71.6133.3174.9-52.1178.9000108.6P167 D171 Y174P167-I169 PolarHBondContact O-N 3.25Å; I169-D171 HydrophobicContact CG2-CB 4.06Å; I169-D171 PolarHBondContact O-N 2.87Å; I169-D171 VanDerWaalsContact O-N 3.09Å; I169-Y174 WeakPolarHBondContact O-CB 3.33Å
170L88.9Confident88.2Confident88 Ų8890.2 Ų90.246%0.46147%0.466SS..  trans-87.851-179-55.3-178.6000111.7Y174L170-Y174 HydrophobicContact CB-CD1 4.21Å; L170-Y174 HydrophobicContact CD2-CD1 3.87Å; L170-Y174 HydrophobicContact CD2-CE1 3.84Å; L170-Y174 HydrophobicContact CD2-CG 4.25Å
171D89.7Confident88.8Confident59 Ų5986 Ų8632%0.31645%0.45SS..SBendtrans-86.5-171.5-176.774.6-16.9000112.9I169 N173 Y174 I175I169-D171 HydrophobicContact CG2-CB 4.06Å; I169-D171 PolarHBondContact O-N 2.87Å; I169-D171 VanDerWaalsContact O-N 3.09Å; D171-N173 VanDerWaalsContact CG-N 3.33Å; D171-N173 PolarHBondContact O-N 3.12Å; D171-N173 WeakPolarHBondContact OD1-CA 3.38Å; D171-N173 WeakPolarHBondContact OD1-CB 3.44Å; D171-N173 PolarHBondContact OD1-N 2.98Å; D171-N173 WeakPolarHBondContact OD2-CB 3.47Å; D171-N173 PolarHBondContact OD2-ND2 3.35Å; D171-Y174 PolarHBondContact O-N 3.29Å; D171-Y174 PolarHBondContact OD1-N 2.96Å; D171-I175 WeakPolarHBondContact O-CG1 3.48Å; D171-I175 PolarHBondContact O-N 3.39Å; D171-I175 VanDerWaalsContact O-N 3.16Å
172Q93Very high89.6Confident112 Ų11286.4 Ų86.452%0.52345%0.445SS..Hα-helixtrans-63.1-29173.8-171.15847.700112.4I175 N176Q172-I175 PolarHBondContact O-N 3.31Å; Q172-N176 PolarHBondContact NE2-OD1 3.39Å; Q172-N176 WeakPolarHBondContact O-CB 3.37Å; Q172-N176 PolarHBondContact O-N 2.91Å; Q172-N176 PolarHBondContact O-ND2 2.67Å; Q172-N176 PolarHBondContact O-OD1 3.41Å
173N91.9Very high90.4Very high103 Ų10383.7 Ų83.755%0.55143%0.433SS*.Hα-helixtrans-70-38.4177-61.8-60.6000111.7D171 N176 T177D171-N173 VanDerWaalsContact CG-N 3.33Å; D171-N173 PolarHBondContact O-N 3.12Å; D171-N173 WeakPolarHBondContact OD1-CA 3.38Å; D171-N173 WeakPolarHBondContact OD1-CB 3.44Å; D171-N173 PolarHBondContact OD1-N 2.98Å; D171-N173 WeakPolarHBondContact OD2-CB 3.47Å; D171-N173 PolarHBondContact OD2-ND2 3.35Å; N173-N176 PolarHBondContact O-N 3.19Å; N173-T177 WeakPolarHBondContact O-CB 3.2Å; N173-T177 PolarHBondContact O-N 3.44Å; N173-T177 PolarHBondContact O-OG1 2.82Å
174Y94.4Very high91.4Very high30 Ų3075.4 Ų75.412%0.11841%0.405CS..Hα-helixtrans-60.4-45.7169.2163.3-109.8000111.8R147 I150 L168 I169 L170 D171 N176 T177 K178R147-Y174 HydrophobicContact CG-CE2 4.37Å; I150-Y174 HydrophobicContact CD1-CD2 4.43Å; I150-Y174 HydrophobicContact CD1-CE2 4.05Å; I150-Y174 HydrophobicContact CG2-CD2 4.21Å; I150-Y174 HydrophobicContact CG2-CE2 4.46Å; L168-Y174 HydrophobicContact CD2-CD2 3.76Å; L168-Y174 HydrophobicContact CD2-CE2 4.15Å; I169-Y174 WeakPolarHBondContact O-CB 3.33Å; L170-Y174 HydrophobicContact CB-CD1 4.21Å; L170-Y174 HydrophobicContact CD2-CD1 3.87Å; L170-Y174 HydrophobicContact CD2-CE1 3.84Å; L170-Y174 HydrophobicContact CD2-CG 4.25Å; D171-Y174 PolarHBondContact O-N 3.29Å; D171-Y174 PolarHBondContact OD1-N 2.96Å; Y174-N176 PolarHBondContact O-N 3.23Å; Y174-T177 PolarHBondContact O-N 2.66Å; Y174-K178 WeakPolarHBondContact O-CB 3.42Å; Y174-K178 PolarHBondContact O-N 3.03Å
175I95.2Very high92.3Very high71 Ų7170.3 Ų70.336%0.36437%0.372SS..Hα-helixtrans-61.3-45.5176.9-64.9170.3000110.8D171 Q172 K178 N179D171-I175 WeakPolarHBondContact O-CG1 3.48Å; D171-I175 PolarHBondContact O-N 3.39Å; D171-I175 VanDerWaalsContact O-N 3.16Å; Q172-I175 PolarHBondContact O-N 3.31Å; I175-K178 PolarHBondContact O-N 2.73Å; I175-N179 WeakPolarHBondContact O-CB 3.35Å; I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 3.41Å; I175-N179 PolarHBondContact O-ND2 2.61Å
176N96.1Very high93.2Very high66 Ų6674.5 Ų74.535%0.35338%0.376SS..Hα-helixtrans-60.4-46.2176.5-68.9-13.8000111.4Q172 N173 Y174 N179 Q180Q172-N176 PolarHBondContact NE2-OD1 3.39Å; Q172-N176 WeakPolarHBondContact O-CB 3.37Å; Q172-N176 PolarHBondContact O-N 2.91Å; Q172-N176 PolarHBondContact O-ND2 2.67Å; Q172-N176 PolarHBondContact O-OD1 3.41Å; N173-N176 PolarHBondContact O-N 3.19Å; Y174-N176 PolarHBondContact O-N 3.23Å; N176-N179 PolarHBondContact O-N 2.97Å; N176-Q180 WeakPolarHBondContact O-CG 3.1Å; N176-Q180 PolarHBondContact O-N 3.41Å
177T95.8Very high93.8Very high39 Ų3976.1 Ų76.124%0.23937%0.373CS..Hα-helixtrans-61.9-46.8178.3-57.60000111.3I127 I150 N173 Y174 N179 Q180 V181I127-T177 HydrophobicContact CD1-CG2 4.05Å; I150-T177 HydrophobicContact CD1-CG2 4.46Å; I150-T177 HydrophobicContact CG2-CG2 4.25Å; N173-T177 WeakPolarHBondContact O-CB 3.2Å; N173-T177 PolarHBondContact O-N 3.44Å; N173-T177 PolarHBondContact O-OG1 2.82Å; Y174-T177 PolarHBondContact O-N 2.66Å; T177-N179 VanDerWaalsContact C-N 3.31Å; T177-N179 PolarHBondContact O-N 2.93Å; T177-Q180 WeakPolarHBondContact O-CB 3.36Å; T177-Q180 PolarHBondContact O-N 3.15Å; T177-Q180 VanDerWaalsContact O-N 3.11Å; T177-V181 WeakPolarHBondContact O-CG2 2.91Å; T177-V181 PolarHBondContact O-N 3.33Å
178K96.7Very high94.4Very high81 Ų8170.8 Ų70.835%0.35234%0.338SS..Hα-helixtrans-56.5-44.4175-179.1-172.5172.9-1680111.7I146 I150 Y174 I175 V181 I182I146-K178 HydrophobicContact CG2-CG 4.08Å; I150-K178 HydrophobicContact CD1-CB 3.9Å; I150-K178 HydrophobicContact CD1-CG 4.44Å; Y174-K178 WeakPolarHBondContact O-CB 3.42Å; Y174-K178 PolarHBondContact O-N 3.03Å; I175-K178 PolarHBondContact O-N 2.73Å; K178-V181 PolarHBondContact O-N 2.96Å; K178-I182 HydrophobicContact CG-CD1 4.07Å; K178-I182 VanDerWaalsContact O-CG1 3.32Å; K178-I182 WeakPolarHBondContact O-CG1 3.21Å; K178-I182 PolarHBondContact O-N 2.73Å
179N97.4Very high94.9Very high89 Ų8970.9 Ų70.948%0.47634%0.338SS..Hα-helixtrans-67.6-34.8177.6-70-19.8000112.3I175 N176 T177 K183I175-N179 WeakPolarHBondContact O-CB 3.35Å; I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 3.41Å; I175-N179 PolarHBondContact O-ND2 2.61Å; N176-N179 PolarHBondContact O-N 2.97Å; T177-N179 VanDerWaalsContact C-N 3.31Å; T177-N179 PolarHBondContact O-N 2.93Å; N179-K183 VanDerWaalsContact O-CB 3.3Å; N179-K183 WeakPolarHBondContact O-CB 3.36Å; N179-K183 PolarHBondContact O-N 3.35Å
180Q97.2Very high95.4Very high101 Ų10172.4 Ų72.447%0.47234%0.341SS..Hα-helixtrans-66.1-44.5173-72179.128.600112.2I127 N176 T177 I182 K183 A184I127-Q180 HydrophobicContact CD1-CB 4.13Å; I127-Q180 HydrophobicContact CG2-CB 4.03Å; N176-Q180 WeakPolarHBondContact O-CG 3.1Å; N176-Q180 PolarHBondContact O-N 3.41Å; T177-Q180 WeakPolarHBondContact O-CB 3.36Å; T177-Q180 PolarHBondContact O-N 3.15Å; T177-Q180 VanDerWaalsContact O-N 3.11Å; Q180-I182 PolarHBondContact O-N 3.05Å; Q180-K183 CarbonylContact O-C 3.55Å; Q180-K183 PolarHBondContact O-N 3.48Å; Q180-A184 WeakPolarHBondContact O-CB 3.07Å; Q180-A184 PolarHBondContact O-N 3.38Å
181V97.6Very high95.5Very high1 Ų171 Ų711%0.00633%0.332CS..Hα-helixtrans-61.1-44.9176.5174.10000111.1I127 M130 I146 T177 K178 K183 A184 E185I127-V181 HydrophobicContact CD1-CG2 4.22Å; I127-V181 HydrophobicContact CG2-CG2 4.39Å; M130-V181 HydrophobicContact CB-CG1 4.12Å; M130-V181 HydrophobicContact CB-CG2 3.77Å; M130-V181 HydrophobicContact CE-CG2 4.47Å; M130-V181 HydrophobicContact CG-CG2 4.46Å; M130-V181 HydrophobicContact SD-CG2 3.9Å; I146-V181 HydrophobicContact CG2-CG1 4.39Å; T177-V181 WeakPolarHBondContact O-CG2 2.91Å; T177-V181 PolarHBondContact O-N 3.33Å; K178-V181 PolarHBondContact O-N 2.96Å; V181-K183 VanDerWaalsContact C-N 3.31Å; V181-K183 PolarHBondContact O-N 3.3Å; V181-A184 PolarHBondContact O-N 3.35Å; V181-E185 WeakPolarHBondContact O-CB 3.46Å; V181-E185 PolarHBondContact O-N 2.94Å
182I97.2Very high95.6Very high37 Ų3769.2 Ų69.219%0.1932%0.322CS..Hα-helixtrans-62.3-37.9175.4-66.9164.9000111.5I146 K178 Q180 R186I146-I182 HydrophobicContact CD1-CD1 4.11Å; I146-I182 HydrophobicContact CD1-CG1 3.82Å; K178-I182 HydrophobicContact CG-CD1 4.07Å; K178-I182 VanDerWaalsContact O-CG1 3.32Å; K178-I182 WeakPolarHBondContact O-CG1 3.21Å; K178-I182 PolarHBondContact O-N 2.73Å; Q180-I182 PolarHBondContact O-N 3.05Å; I182-R186 WeakPolarHBondContact O-CG 3.35Å; I182-R186 PolarHBondContact O-N 3.12Å
183K97.4Very high95.4Very high146 Ų14666 Ų6664%0.63532%0.319SS*.Hα-helixtrans-71.4-33.2177.2-170.2173.4-176.6175.60112.3N179 Q180 V181 R187N179-K183 VanDerWaalsContact O-CB 3.3Å; N179-K183 WeakPolarHBondContact O-CB 3.36Å; N179-K183 PolarHBondContact O-N 3.35Å; Q180-K183 CarbonylContact O-C 3.55Å; Q180-K183 PolarHBondContact O-N 3.48Å; V181-K183 VanDerWaalsContact C-N 3.31Å; V181-K183 PolarHBondContact O-N 3.3Å; K183-R187 PolarHBondContact O-N 2.97Å
184A97.6Very high95.3Very high13 Ų1368.2 Ų68.211%0.10732%0.324CS..Hα-helixtrans-72.7-41.1174.600000111.9I127 A131 Q180 V181 R186 R187 V188I127-A184 HydrophobicContact CG2-CB 3.77Å; A131-A184 HydrophobicContact CB-CB 3.75Å; Q180-A184 WeakPolarHBondContact O-CB 3.07Å; Q180-A184 PolarHBondContact O-N 3.38Å; V181-A184 PolarHBondContact O-N 3.35Å; A184-R186 PolarHBondContact O-N 3.22Å; A184-R187 CarbonylContact O-C 3.51Å; A184-R187 WeakPolarHBondContact O-CA 3.33Å; A184-R187 WeakPolarHBondContact O-CB 3.3Å; A184-R187 PolarHBondContact O-N 3.43Å; A184-V188 WeakPolarHBondContact O-CG2 3.27Å; A184-V188 PolarHBondContact O-N 3.34Å
185E97.1Very high95.1Very high18 Ų1868.6 Ų68.68%0.08433%0.331CS..Hα-helixtrans-56.2-48.3174.7174.1170.9-111.500111.8A131 N134 L135 K138 V181 R187 V188 L189A131-E185 HydrophobicContact CB-CB 4.19Å; N134-E185 PolarHBondContact ND2-OE1 3.17Å; L135-E185 HydrophobicContact CB-CG 4.5Å; K138-E185 IonicContact NZ-OE1 2.69Å; K138-E185 PolarHBondContact NZ-OE1 2.86Å; K138-E185 IonicContact NZ-OE2 2.84Å; K138-E185 PolarHBondContact NZ-OE2 3.15Å; V181-E185 WeakPolarHBondContact O-CB 3.46Å; V181-E185 PolarHBondContact O-N 2.94Å; E185-R187 PolarHBondContact O-N 3.44Å; E185-V188 PolarHBondContact O-N 3.14Å; E185-L189 PolarHBondContact O-N 3.32Å; E185-L189 VanDerWaalsContact O-N 3.08Å
186R97.2Very high94.9Very high176 Ų17666.4 Ų66.466%0.66432%0.32SS*.Hα-helixtrans-62.3-30173.7-64.8177.4-163.9-179.73.7113I182 A184 K190I182-R186 WeakPolarHBondContact O-CG 3.35Å; I182-R186 PolarHBondContact O-N 3.12Å; A184-R186 PolarHBondContact O-N 3.22Å; R186-K190 PolarHBondContact O-N 3.11Å
187R96.7Very high94.5Very high99 Ų9967.9 Ų67.937%0.37433%0.325SS..Hα-helixtrans-73.7-45.9176-170.6177.4-73.9177.5-3.4110.6F114 H123 K183 A184 E185 L189 K190 E191F114-R187 HydrophobicContact CE2-CG 4.04Å; F114-R187 HydrophobicContact CZ-CG 4.26Å; H123-R187 PolarHBondContact CD2-NH1 3.09Å; K183-R187 PolarHBondContact O-N 2.97Å; A184-R187 CarbonylContact O-C 3.51Å; A184-R187 WeakPolarHBondContact O-CA 3.33Å; A184-R187 WeakPolarHBondContact O-CB 3.3Å; A184-R187 PolarHBondContact O-N 3.43Å; E185-R187 PolarHBondContact O-N 3.44Å; R187-L189 VanDerWaalsContact C-N 3.31Å; R187-L189 PolarHBondContact O-N 3.02Å; R187-K190 PolarHBondContact O-N 3.34Å; R187-K190 VanDerWaalsContact O-N 3.11Å; R187-E191 HydrophobicContact CG-CG 3.85Å; R187-E191 VanDerWaalsContact O-CG 3.29Å; R187-E191 WeakPolarHBondContact O-CG 3.25Å; R187-E191 PolarHBondContact O-N 3.47Å
188V96.5Very high94.3Very high0 Ų066.6 Ų66.60%032%0.317CS..Hα-helixtrans-54.3-49.1175175.50000110.4F114 V128 L135 A184 E185 K190 E191 L192F114-V188 HydrophobicContact CD2-CB 4.23Å; F114-V188 HydrophobicContact CD2-CG2 3.75Å; F114-V188 HydrophobicContact CE2-CG2 4.1Å; F114-V188 HydrophobicContact CG-CG2 4.14Å; V128-V188 HydrophobicContact CG1-CG2 4.35Å; L135-V188 HydrophobicContact CD2-CB 4.35Å; L135-V188 HydrophobicContact CD2-CG1 3.82Å; A184-V188 WeakPolarHBondContact O-CG2 3.27Å; A184-V188 PolarHBondContact O-N 3.34Å; E185-V188 PolarHBondContact O-N 3.14Å; V188-K190 PolarHBondContact O-N 3.39Å; V188-E191 PolarHBondContact O-N 2.94Å; V188-L192 HydrophobicContact CG1-CD1 3.74Å; V188-L192 HydrophobicContact CG1-CG 4.39Å; V188-L192 WeakPolarHBondContact O-CB 3.45Å; V188-L192 VanDerWaalsContact O-CG 3.29Å; V188-L192 WeakPolarHBondContact O-CG 3.33Å; V188-L192 PolarHBondContact O-N 3.28Å; V188-L192 VanDerWaalsContact O-N 3.09Å
189L95.4Very high94Very high36 Ų3667.1 Ų67.119%0.18832%0.319CS..Hα-helixtrans-56.2-45.4175.4-74167.3000113.2L135 E185 R187 G193 F194 V196L135-L189 HydrophobicContact CD1-CD1 4.48Å; L135-L189 HydrophobicContact CD1-CD2 4Å; L135-L189 HydrophobicContact CD1-CG 4.33Å; L135-L189 HydrophobicContact CD2-CD2 4.06Å; L135-L189 HydrophobicContact CD2-CG 4.07Å; E185-L189 PolarHBondContact O-N 3.32Å; E185-L189 VanDerWaalsContact O-N 3.08Å; R187-L189 VanDerWaalsContact C-N 3.31Å; R187-L189 PolarHBondContact O-N 3.02Å; L189-G193 PolarHBondContact O-N 3.22Å; L189-F194 HydrophobicContact CB-CD1 4.2Å; L189-F194 HydrophobicContact CB-CE1 3.95Å; L189-F194 HydrophobicContact CB-CZ 4.36Å; L189-F194 HydrophobicContact CD1-CE1 4.39Å; L189-F194 HydrophobicContact CD2-CD1 3.89Å; L189-F194 HydrophobicContact CD2-CE1 4.21Å; L189-F194 HydrophobicContact CG-CE1 4.42Å; L189-F194 PolarHBondContact O-N 3.17Å; L189-V196 HydrophobicContact CD2-CG1 3.88Å
190K94Very high93.8Very high156 Ų15664.1 Ų64.168%0.67830%0.302SS*.Hα-helixtrans-67-47.1179.4-174.6-178.6177.9-1770112.8R186 R187 V188 L192 G193R186-K190 PolarHBondContact O-N 3.11Å; R187-K190 PolarHBondContact O-N 3.34Å; R187-K190 VanDerWaalsContact O-N 3.11Å; V188-K190 PolarHBondContact O-N 3.39Å; K190-L192 VanDerWaalsContact C-N 3.26Å; K190-L192 PolarHBondContact O-N 3.38Å; K190-G193 PolarHBondContact O-N 3.31Å; K190-G193 VanDerWaalsContact O-N 3.17Å
191E92.2Very high93.6Very high59 Ų5959.3 Ų59.328%0.27628%0.28SS..Hα-helixtrans-73.8-17.8-174.8-56.7-57.7164.900113F114 K118 R187 V188F114-E191 HydrophobicContact CD2-CB 4.23Å; F114-E191 HydrophobicContact CD2-CG 4.48Å; F114-E191 HydrophobicContact CE2-CB 4.09Å; F114-E191 HydrophobicContact CE2-CG 3.84Å; K118-E191 WeakPolarHBondContact CE-OE1 3.41Å; K118-E191 WeakPolarHBondContact CE-OE2 3.42Å; K118-E191 HydrophobicContact CG-CG 4.14Å; K118-E191 IonicContact NZ-OE1 3.02Å; K118-E191 IonicContact NZ-OE2 2.66Å; K118-E191 PolarHBondContact NZ-OE2 3.4Å; R187-E191 HydrophobicContact CG-CG 3.85Å; R187-E191 VanDerWaalsContact O-CG 3.29Å; R187-E191 WeakPolarHBondContact O-CG 3.25Å; R187-E191 PolarHBondContact O-N 3.47Å; V188-E191 PolarHBondContact O-N 2.94Å
192L90.8Very high93.5Very high20 Ų2059.7 Ų59.711%0.10528%0.282CS..THydrogen-bonded Turntrans-95.75.3171.6-59.8-177.8000113.1L110 R113 V188 K190 F194 C195L110-L192 HydrophobicContact CD2-CD1 3.54Å; R113-L192 HydrophobicContact CB-CD2 3.51Å; V188-L192 HydrophobicContact CG1-CD1 3.74Å; V188-L192 HydrophobicContact CG1-CG 4.39Å; V188-L192 WeakPolarHBondContact O-CB 3.45Å; V188-L192 VanDerWaalsContact O-CG 3.29Å; V188-L192 WeakPolarHBondContact O-CG 3.33Å; V188-L192 PolarHBondContact O-N 3.28Å; V188-L192 VanDerWaalsContact O-N 3.09Å; K190-L192 VanDerWaalsContact C-N 3.26Å; K190-L192 PolarHBondContact O-N 3.38Å; L192-F194 PolarHBondContact O-N 3.15Å; L192-F194 VanDerWaalsContact O-N 3.15Å; L192-C195 VanDerWaalsContact O-CB 3.3Å; L192-C195 WeakPolarHBondContact O-CB 3.38Å; L192-C195 PolarHBondContact O-N 2.95Å
193G89.2Confident93.3Very high46 Ų4666.6 Ų66.647%0.47431%0.31SS..THydrogen-bonded Turntrans58.927.6-178.800000114L189 K190 C195L189-G193 PolarHBondContact O-N 3.22Å; K190-G193 PolarHBondContact O-N 3.31Å; K190-G193 VanDerWaalsContact O-N 3.17Å; G193-C195 PolarHBondContact O-N 3.49Å
194F90.4Very high93.2Very high149 Ų14960.6 Ų60.665%0.65429%0.285SS*.THydrogen-bonded Turntrans60.87.1-167.5-60.3-97.8000115.9L189 L192 V196L189-F194 HydrophobicContact CB-CD1 4.2Å; L189-F194 HydrophobicContact CB-CE1 3.95Å; L189-F194 HydrophobicContact CB-CZ 4.36Å; L189-F194 HydrophobicContact CD1-CE1 4.39Å; L189-F194 HydrophobicContact CD2-CD1 3.89Å; L189-F194 HydrophobicContact CD2-CE1 4.21Å; L189-F194 HydrophobicContact CG-CE1 4.42Å; L189-F194 PolarHBondContact O-N 3.17Å; L192-F194 PolarHBondContact O-N 3.15Å; L192-F194 VanDerWaalsContact O-N 3.15Å; F194-V196 PolarHBondContact O-N 3.31Å
195C89.4Confident93.1Very high37 Ų3760 Ų6025%0.2528%0.28CS..  trans-73.475.4169.8-169.90000110.9R113 L192 G193R113-C195 PolarHBondContact NH1-O 3.38Å; L192-C195 VanDerWaalsContact O-CB 3.3Å; L192-C195 WeakPolarHBondContact O-CB 3.38Å; L192-C195 PolarHBondContact O-N 2.95Å; G193-C195 PolarHBondContact O-N 3.49Å
196V90.7Very high93Very high25 Ų2561.7 Ų61.715%0.15229%0.292CS..  trans-104.20.4-178.4-58.40000113.8L110 L135 I139 L189 F194L110-V196 HydrophobicContact CD2-CB 3.9Å; L110-V196 HydrophobicContact CD2-CG1 4Å; L135-V196 HydrophobicContact CD2-CG1 4.41Å; I139-V196 HydrophobicContact CD1-CB 3.67Å; I139-V196 HydrophobicContact CD1-CG1 4.5Å; I139-V196 HydrophobicContact CD1-CG2 3.66Å; I139-V196 HydrophobicContact CG1-CG2 4.07Å; L189-V196 HydrophobicContact CD2-CG1 3.88Å; F194-V196 PolarHBondContact O-N 3.31Å
197H89.1Confident93Very high98 Ų9858 Ų5845%0.45428%0.283SS..  trans-68.7137.3171.8-176.876.6000110.3R113R113-H197 PolarHBondContact NH1-O 2.66Å; R113-H197 VanDerWaalsContact NH1-O 3.14Å
198V90.4Very high93Very high12 Ų1253.8 Ų53.87%0.07327%0.267CS..  trans-133.5112177.1-176.20000108.1T106 V109 H200T106-V198 HydrophobicContact CG2-CG2 4.17Å; V109-V198 HydrophobicContact CB-CG1 4.03Å; V109-V198 HydrophobicContact CB-CG2 4.11Å; V109-V198 HydrophobicContact CG1-CG1 3.97Å; V109-V198 HydrophobicContact CG1-CG2 3.92Å; V109-V198 HydrophobicContact CG2-CG1 3.96Å; V198-H200 WeakPolarHBondContact CG1-CE1 3.3Å; V198-H200 WeakPolarHBondContact CG1-NE2 3.48Å; V198-H200 PolarHBondContact O-CD2 2.92Å; V198-H200 VanDerWaalsContact O-CD2 3.32Å
199K91.6Very high92.9Very high91 Ų9153.9 Ų53.940%0.39627%0.267SS..  trans-72.2134.3165.6-71.1179.2-178.4174.40108.3P242K199-P242 HydrophobicContact CB-CG 3.73Å; K199-P242 HydrophobicContact CD-CG 4.31Å
200H91.8Very high92.9Very high26 Ų2657 Ų5712%0.1228%0.281CS..  trans-116.2130.8-173.5-79.4-66.5000112.7A105 T106 V198 H202A105-H200 WeakPolarHBondContact CB-CE1 3.19Å; T106-H200 PolarHBondContact N-CE1 2.93Å; T106-H200 PolarHBondContact OG1-NE2 3.46Å; V198-H200 WeakPolarHBondContact CG1-CE1 3.3Å; V198-H200 WeakPolarHBondContact CG1-NE2 3.48Å; V198-H200 PolarHBondContact O-CD2 2.92Å; V198-H200 VanDerWaalsContact O-CD2 3.32Å; H200-H202 PolarHBondContact O-N 3.36Å; H200-H202 VanDerWaalsContact O-N 3.17Å
201P94.1Very high92.9Very high0 Ų053.4 Ų53.40%027%0.272CS..Hα-helixtrans-67.3-13.6-177.427.2-35.5000114.2K203 I204 I205 M228 F237 P242 I245 A246P201-K203 VanDerWaalsContact C-N 3.28Å; P201-K203 PolarHBondContact O-N 3.44Å; P201-K203 VanDerWaalsContact O-N 3.16Å; P201-I204 PolarHBondContact O-N 3.02Å; P201-I205 HydrophobicContact CB-CD1 4.46Å; P201-I205 WeakPolarHBondContact O-CG1 3.43Å; P201-I205 PolarHBondContact O-N 2.92Å; P201-M228 HydrophobicContact CB-CG 4.18Å; P201-M228 HydrophobicContact CG-CG 3.49Å; P201-M228 VanDerWaalsContact CG-CG 3.49Å; P201-M228 HydrophobicContact CG-SD 4.13Å; P201-F237 HydrophobicContact CG-CE1 3.85Å; P201-F237 HydrophobicContact CG-CZ 3.68Å; P201-P242 HydrophobicContact CB-CB 4.37Å; P201-I245 HydrophobicContact CB-CG2 4.49Å; P201-I245 HydrophobicContact CG-CG2 4.19Å; P201-A246 HydrophobicContact CB-CB 4.05Å
202H93.9Very high93Very high10 Ų1052.1 Ų52.15%0.04627%0.267CS..Hα-helixtrans-47.2-45.7-179.4-57.767.9000113.5H200 W225 M228 N229H200-H202 PolarHBondContact O-N 3.36Å; H200-H202 VanDerWaalsContact O-N 3.17Å; H202-W225 HydrophobicContact CB-CE3 4.46Å; H202-W225 HydrophobicContact CB-CH2 3.77Å; H202-W225 HydrophobicContact CB-CZ2 4.24Å; H202-W225 HydrophobicContact CB-CZ3 3.89Å; H202-W225 AromaticContact CD2-CE2 3.84Å; H202-W225 AromaticContact CD2-CZ2 3.67Å; H202-W225 WeakPolarHBondContact O-CZ3 3.37Å; H202-M228 HydrophobicContact CB-CE 4.28Å; H202-M228 WeakPolarHBondContact CD2-CE 3.34Å; H202-M228 PolarHBondContact CE1-SD 2.89Å; H202-M228 VanDerWaalsContact NE2-CE 3.35Å; H202-M228 WeakPolarHBondContact NE2-CE 3.41Å; H202-M228 PolarHBondContact NE2-SD 3.38Å; H202-M228 VanDerWaalsContact NE2-SD 3.35Å; H202-N229 PolarHBondContact NE2-OD1 3.4Å
203K94Very high93.1Very high181 Ų18159.5 Ų59.579%0.78730%0.301SS*.Hα-helixtrans-77.1-34.8177.9-68.8-176.2178.2179.80112.7P201 V206 M207P201-K203 VanDerWaalsContact C-N 3.28Å; P201-K203 PolarHBondContact O-N 3.44Å; P201-K203 VanDerWaalsContact O-N 3.16Å; K203-V206 PolarHBondContact O-N 3.29Å; K203-M207 PolarHBondContact O-N 2.89Å
204I95.3Very high93.2Very high21 Ų2158.6 Ų58.611%0.10829%0.287CS..Hα-helixtrans-66.7-42.4-177.8-50.9-179.4000110.1P201 V206 M207 Y208 P242 E243 A246P201-I204 PolarHBondContact O-N 3.02Å; I204-V206 VanDerWaalsContact C-N 3.31Å; I204-V206 PolarHBondContact O-N 3.4Å; I204-M207 HydrophobicContact CG2-CE 4.5Å; I204-M207 PolarHBondContact O-N 2.91Å; I204-Y208 HydrophobicContact CG2-CD1 4.1Å; I204-Y208 HydrophobicContact CG2-CD2 3.82Å; I204-Y208 HydrophobicContact CG2-CE1 3.67Å; I204-Y208 HydrophobicContact CG2-CE2 3.35Å; I204-Y208 HydrophobicContact CG2-CG 4.17Å; I204-Y208 WeakPolarHBondContact O-CB 3.4Å; I204-Y208 PolarHBondContact O-N 3Å; I204-P242 HydrophobicContact CD1-CB 3.97Å; I204-P242 HydrophobicContact CD1-CG 4.18Å; I204-E243 HydrophobicContact CD1-CG 4.18Å; I204-A246 HydrophobicContact CB-CB 3.86Å; I204-A246 HydrophobicContact CG2-CB 3.66Å
205I96Very high93.2Very high0 Ų054.7 Ų54.70%027%0.271CS..Hα-helixtrans-56.6-44.8175.5-70.9172.1000111.3P201 L209 A224 M228 A246 C249 I250P201-I205 HydrophobicContact CB-CD1 4.46Å; P201-I205 WeakPolarHBondContact O-CG1 3.43Å; P201-I205 PolarHBondContact O-N 2.92Å; I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 WeakPolarHBondContact O-CB 3.21Å; I205-L209 VanDerWaalsContact O-CG 3.28Å; I205-L209 WeakPolarHBondContact O-CG 3.17Å; I205-L209 PolarHBondContact O-N 3.34Å; I205-L209 VanDerWaalsContact O-N 3.1Å; I205-A224 HydrophobicContact CG2-CB 3.81Å; I205-M228 HydrophobicContact CD1-CB 3.56Å; I205-M228 HydrophobicContact CD1-CE 4.39Å; I205-M228 HydrophobicContact CD1-CG 3.69Å; I205-A246 HydrophobicContact CG1-CB 3.64Å; I205-C249 HydrophobicContact CD1-CB 4.06Å; I205-I250 HydrophobicContact CG2-CD1 4.37Å; I205-I250 HydrophobicContact CG2-CG1 4.1Å
206V95.1Very high93.3Very high54 Ų5463 Ų6333%0.32730%0.297SS..Hα-helixtrans-62.4-54.6176.4178.20000109.6K203 I204 Y208 L209 Q210 W225K203-V206 PolarHBondContact O-N 3.29Å; I204-V206 VanDerWaalsContact C-N 3.31Å; I204-V206 PolarHBondContact O-N 3.4Å; V206-Y208 PolarHBondContact O-N 2.9Å; V206-L209 CarbonylContact O-C 3.52Å; V206-L209 WeakPolarHBondContact O-CA 3.3Å; V206-L209 PolarHBondContact O-N 2.9Å; V206-Q210 HydrophobicContact CG1-CG 4.44Å; V206-Q210 VanDerWaalsContact O-CG 3.28Å; V206-Q210 WeakPolarHBondContact O-CG 3.44Å; V206-Q210 PolarHBondContact O-N 3.41Å; V206-W225 HydrophobicContact CG2-CE3 4.5Å; V206-W225 HydrophobicContact CG2-CZ3 4.08Å
207M95.8Very high93.5Very high97 Ų9764.5 Ų64.548%0.47830%0.304SS..Hα-helixtrans-54.2-47.4-178.3-173.6-178.476.200112.8K203 I204 L209 Q210 V211K203-M207 PolarHBondContact O-N 2.89Å; I204-M207 HydrophobicContact CG2-CE 4.5Å; I204-M207 PolarHBondContact O-N 2.91Å; M207-L209 VanDerWaalsContact C-N 3.35Å; M207-L209 PolarHBondContact O-N 2.7Å; M207-Q210 WeakPolarHBondContact O-CB 3.3Å; M207-Q210 PolarHBondContact O-N 3.44Å; M207-Q210 VanDerWaalsContact O-N 3.11Å; M207-V211 PolarHBondContact O-N 3.42Å; M207-V211 VanDerWaalsContact O-N 3.11Å
208Y96.4Very high93.8Very high12 Ų1266.1 Ų66.15%0.04731%0.312CS..Hα-helixtrans-64.3-38.1176.9-67.8-9000111.9I204 V206 Q210 V211 L212 E243 A246 C247 I250 F271I204-Y208 HydrophobicContact CG2-CD1 4.1Å; I204-Y208 HydrophobicContact CG2-CD2 3.82Å; I204-Y208 HydrophobicContact CG2-CE1 3.67Å; I204-Y208 HydrophobicContact CG2-CE2 3.35Å; I204-Y208 HydrophobicContact CG2-CG 4.17Å; I204-Y208 WeakPolarHBondContact O-CB 3.4Å; I204-Y208 PolarHBondContact O-N 3Å; V206-Y208 PolarHBondContact O-N 2.9Å; Y208-Q210 VanDerWaalsContact C-N 3.27Å; Y208-Q210 PolarHBondContact O-N 2.92Å; Y208-V211 PolarHBondContact O-N 3.01Å; Y208-L212 VanDerWaalsContact O-CG 3.26Å; Y208-L212 WeakPolarHBondContact O-CG 3.43Å; Y208-L212 PolarHBondContact O-N 2.89Å; Y208-E243 WeakPolarHBondContact OH-CB 3.45Å; Y208-E243 WeakPolarHBondContact OH-CG 3.42Å; Y208-A246 HydrophobicContact CD2-CB 4.1Å; Y208-A246 HydrophobicContact CE2-CB 4.01Å; Y208-C247 WeakPolarHBondContact CE2-SG 3.46Å; Y208-I250 HydrophobicContact CD2-CD1 4.26Å; Y208-F271 AromaticContact CD1-CD1 3.74Å; Y208-F271 HydrophobicContact CD1-CD1 3.74Å; Y208-F271 AromaticContact CD1-CD2 3.99Å; Y208-F271 HydrophobicContact CD1-CD2 3.99Å; Y208-F271 AromaticContact CD1-CE1 3.48Å; Y208-F271 HydrophobicContact CD1-CE1 3.48Å; Y208-F271 VanDerWaalsContact CD1-CE1 3.48Å; Y208-F271 AromaticContact CD1-CE2 3.74Å; Y208-F271 HydrophobicContact CD1-CE2 3.74Å; Y208-F271 AromaticContact CD1-CG 3.99Å; Y208-F271 HydrophobicContact CD1-CG 3.99Å; Y208-F271 AromaticContact CD1-CZ 3.48Å; Y208-F271 HydrophobicContact CD1-CZ 3.48Å; Y208-F271 VanDerWaalsContact CD1-CZ 3.48Å; Y208-F271 AromaticContact CD2-CD2 3.74Å; Y208-F271 HydrophobicContact CD2-CD2 3.74Å; Y208-F271 AromaticContact CD2-CE2 3.92Å; Y208-F271 HydrophobicContact CD2-CE2 3.92Å; Y208-F271 HydrophobicContact CD2-CG 4.18Å; Y208-F271 HydrophobicContact CE1-CB 4.28Å; Y208-F271 AromaticContact CE1-CD1 3.36Å; Y208-F271 HydrophobicContact CE1-CD1 3.36Å; Y208-F271 HydrophobicContact CE1-CD2 4.07Å; Y208-F271 AromaticContact CE1-CE1 3.59Å; Y208-F271 HydrophobicContact CE1-CE1 3.59Å; Y208-F271 HydrophobicContact CE1-CE2 4.25Å; Y208-F271 AromaticContact CE1-CG 3.63Å; Y208-F271 HydrophobicContact CE1-CG 3.63Å; Y208-F271 HydrophobicContact CE1-CZ 4.04Å; Y208-F271 HydrophobicContact CE2-CB 4.04Å; Y208-F271 HydrophobicContact CE2-CD1 4.44Å; Y208-F271 AromaticContact CE2-CD2 3.84Å; Y208-F271 HydrophobicContact CE2-CD2 3.84Å; Y208-F271 HydrophobicContact CE2-CE2 4.42Å; Y208-F271 AromaticContact CE2-CG 3.85Å; Y208-F271 HydrophobicContact CE2-CG 3.85Å; Y208-F271 HydrophobicContact CG-CD1 4.42Å; Y208-F271 AromaticContact CG-CD2 3.82Å; Y208-F271 HydrophobicContact CG-CD2 3.82Å; Y208-F271 HydrophobicContact CG-CE1 4.19Å; Y208-F271 AromaticContact CG-CE2 3.55Å; Y208-F271 HydrophobicContact CG-CE2 3.55Å; Y208-F271 HydrophobicContact CG-CG 4.26Å; Y208-F271 AromaticContact CG-CZ 3.75Å; Y208-F271 HydrophobicContact CG-CZ 3.75Å; Y208-F271 AromaticContact CZ-CD1 3.77Å; Y208-F271 AromaticContact CZ-CD2 4Å; Y208-F271 AromaticContact CZ-CG 3.55Å
209L95.5Very high94.1Very high1 Ų169.6 Ų69.61%0.00533%0.333CS..Hα-helixtrans-68.7-22.5173.4-70.4171.4000113.2I205 V206 M207 L212 E213 C214 E215 L220 V221 I250I205-L209 HydrophobicContact CG2-CD1 3.99Å; I205-L209 WeakPolarHBondContact O-CB 3.21Å; I205-L209 VanDerWaalsContact O-CG 3.28Å; I205-L209 WeakPolarHBondContact O-CG 3.17Å; I205-L209 PolarHBondContact O-N 3.34Å; I205-L209 VanDerWaalsContact O-N 3.1Å; V206-L209 CarbonylContact O-C 3.52Å; V206-L209 WeakPolarHBondContact O-CA 3.3Å; V206-L209 PolarHBondContact O-N 2.9Å; M207-L209 VanDerWaalsContact C-N 3.35Å; M207-L209 PolarHBondContact O-N 2.7Å; L209-L212 HydrophobicContact CD2-CD1 4.43Å; L209-E213 PolarHBondContact O-N 2.82Å; L209-C214 HydrophobicContact CD2-CB 3.88Å; L209-C214 CarbonylContact O-C 3.46Å; L209-C214 WeakPolarHBondContact O-CA 3.24Å; L209-C214 PolarHBondContact O-N 3.25Å; L209-E215 PolarHBondContact O-N 2.86Å; L209-L220 HydrophobicContact CD2-CD2 3.78Å; L209-L220 HydrophobicContact CD2-CG 4.03Å; L209-V221 HydrophobicContact CD1-CB 4.22Å; L209-V221 HydrophobicContact CD1-CG2 3.76Å; L209-I250 HydrophobicContact CD1-CG1 4.35Å; L209-I250 HydrophobicContact CD2-CD1 4.28Å; L209-I250 HydrophobicContact CD2-CG1 4.22Å; L209-I250 HydrophobicContact CD2-CG2 3.91Å; L209-I250 HydrophobicContact CG-CD1 3.93Å; L209-I250 HydrophobicContact CG-CG1 4.11Å
210Q94.8Very high94.4Very high102 Ų10265.2 Ų65.248%0.47731%0.314SS..Hα-helixtrans-71-45.2168.5-47.2-164.7-89.700111.1V206 M207 Y208 L212 E213 E215V206-Q210 HydrophobicContact CG1-CG 4.44Å; V206-Q210 VanDerWaalsContact O-CG 3.28Å; V206-Q210 WeakPolarHBondContact O-CG 3.44Å; V206-Q210 PolarHBondContact O-N 3.41Å; M207-Q210 WeakPolarHBondContact O-CB 3.3Å; M207-Q210 PolarHBondContact O-N 3.44Å; M207-Q210 VanDerWaalsContact O-N 3.11Å; Y208-Q210 VanDerWaalsContact C-N 3.27Å; Y208-Q210 PolarHBondContact O-N 2.92Å; Q210-L212 VanDerWaalsContact C-N 3.26Å; Q210-L212 PolarHBondContact O-N 2.9Å; Q210-E213 WeakPolarHBondContact O-CA 3.27Å; Q210-E213 PolarHBondContact O-N 3.48Å; Q210-E215 HydrophobicContact CG-CB 4.12Å; Q210-E215 HydrophobicContact CG-CG 4.46Å; Q210-E215 WeakPolarHBondContact CG-OE2 3.45Å; Q210-E215 PolarHBondContact NE2-OE2 3.4Å
211V94.3Very high94.6Very high81 Ų8165 Ų6549%0.49132%0.315SS..Hα-helixtrans-63.3-31177.3175.20000112.2M207 Y208 E213 L270 F271M207-V211 PolarHBondContact O-N 3.42Å; M207-V211 VanDerWaalsContact O-N 3.11Å; Y208-V211 PolarHBondContact O-N 3.01Å; V211-E213 VanDerWaalsContact C-N 3.27Å; V211-E213 PolarHBondContact O-N 3.09Å; V211-L270 HydrophobicContact CG1-CD2 3.89Å; V211-F271 HydrophobicContact CB-CZ 4.14Å; V211-F271 HydrophobicContact CG1-CE1 4.36Å; V211-F271 HydrophobicContact CG1-CZ 3.94Å
212L93.6Very high94.8Very high31 Ų3169.9 Ų69.916%0.16234%0.338CS..THydrogen-bonded Turntrans-84.77.5173.4-62.4171000113.7Y208 L209 Q210 C214 I250 L261 W267Y208-L212 VanDerWaalsContact O-CG 3.26Å; Y208-L212 WeakPolarHBondContact O-CG 3.43Å; Y208-L212 PolarHBondContact O-N 2.89Å; L209-L212 HydrophobicContact CD2-CD1 4.43Å; Q210-L212 VanDerWaalsContact C-N 3.26Å; Q210-L212 PolarHBondContact O-N 2.9Å; L212-C214 HydrophobicContact CB-CB 4.29Å; L212-C214 PolarHBondContact O-N 3.39Å; L212-C214 PolarHBondContact O-SG 3.39Å; L212-I250 HydrophobicContact CD1-CG2 4.23Å; L212-L261 HydrophobicContact CD1-CD1 4.49Å; L212-W267 HydrophobicContact CD1-CD2 4.05Å; L212-W267 HydrophobicContact CD1-CE3 3.77Å; L212-W267 HydrophobicContact CD1-CH2 4.45Å; L212-W267 HydrophobicContact CD1-CZ3 3.99Å; L212-W267 HydrophobicContact CD2-CB 3.78Å; L212-W267 HydrophobicContact CD2-CD2 4.12Å; L212-W267 HydrophobicContact CD2-CE3 4.06Å; L212-W267 HydrophobicContact CD2-CG 4.03Å; L212-W267 HydrophobicContact CG-CE3 4.4Å
213E93.7Very high94.9Very high175 Ų17570.9 Ų70.982%0.81834%0.344SS*.THydrogen-bonded Turntrans5511.1-174-54.3-166.815300115.2L209 Q210 V211L209-E213 PolarHBondContact O-N 2.82Å; Q210-E213 WeakPolarHBondContact O-CA 3.27Å; Q210-E213 PolarHBondContact O-N 3.48Å; V211-E213 VanDerWaalsContact C-N 3.27Å; V211-E213 PolarHBondContact O-N 3.09Å
214C91.6Very high95.1Very high27 Ų2762.2 Ų62.218%0.18231%0.307CS..  trans-91-5.8-172.9-76.20000114.1L209 L212 R216 N217 L220L209-C214 HydrophobicContact CD2-CB 3.88Å; L209-C214 CarbonylContact O-C 3.46Å; L209-C214 WeakPolarHBondContact O-CA 3.24Å; L209-C214 PolarHBondContact O-N 3.25Å; L212-C214 HydrophobicContact CB-CB 4.29Å; L212-C214 PolarHBondContact O-N 3.39Å; L212-C214 PolarHBondContact O-SG 3.39Å; C214-R216 PolarHBondContact O-N 2.89Å; C214-N217 WeakPolarHBondContact O-CB 3.32Å; C214-N217 PolarHBondContact O-N 3.47Å; C214-L220 HydrophobicContact CB-CD2 3.97Å
215E90.6Very high95.2Very high67 Ų6765.1 Ų65.131%0.31332%0.316SS..THydrogen-bonded Turntrans-50.6-32.1-178.850.7148-132.900114.8L209 Q210 N217 Q218L209-E215 PolarHBondContact O-N 2.86Å; Q210-E215 HydrophobicContact CG-CB 4.12Å; Q210-E215 HydrophobicContact CG-CG 4.46Å; Q210-E215 WeakPolarHBondContact CG-OE2 3.45Å; Q210-E215 PolarHBondContact NE2-OE2 3.4Å; E215-N217 PolarHBondContact O-N 3.38Å; E215-Q218 PolarHBondContact O-NE2 3.18Å
216R92.1Very high95.2Very high212 Ų21269 Ų6980%0.834%0.337SS*.THydrogen-bonded Turntrans-70.4-22.1178.8-61.1179.7-171.9165.94.7112.2C214 Q218C214-R216 PolarHBondContact O-N 2.89Å; R216-Q218 PolarHBondContact O-N 3.33Å
217N94.5Very high95.3Very high57 Ų5768.5 Ų68.531%0.30533%0.329SS..  trans-80.183.1176-170.4-9.3000110.9C214 E215 T219 L220 V221 I259C214-N217 WeakPolarHBondContact O-CB 3.32Å; C214-N217 PolarHBondContact O-N 3.47Å; E215-N217 PolarHBondContact O-N 3.38Å; N217-T219 PolarHBondContact O-N 3.41Å; N217-T219 VanDerWaalsContact O-N 3.14Å; N217-T219 PolarHBondContact OD1-N 3.24Å; N217-T219 PolarHBondContact OD1-OG1 3.49Å; N217-L220 HydrophobicContact CB-CB 4.15Å; N217-L220 PolarHBondContact O-N 2.92Å; N217-L220 VanDerWaalsContact O-N 3.07Å; N217-L220 PolarHBondContact OD1-N 2.89Å; N217-V221 WeakPolarHBondContact O-CG2 3.39Å; N217-V221 PolarHBondContact O-N 3Å; N217-I259 VanDerWaalsContact ND2-CD1 3.29Å; N217-I259 WeakPolarHBondContact ND2-CD1 3.48Å
218Q95.5Very high95.3Very high132 Ų13263.9 Ų63.962%0.61731%0.307SS*.Hα-helixtrans-58.1-26.7-178.6-63.3-63.6-69.100113.7E215 R216 Q222E215-Q218 PolarHBondContact O-NE2 3.18Å; R216-Q218 PolarHBondContact O-N 3.33Å; Q218-Q222 VanDerWaalsContact O-CB 3.25Å; Q218-Q222 WeakPolarHBondContact O-CB 3.42Å; Q218-Q222 PolarHBondContact O-N 3.08Å
219T96.9Very high95.3Very high84 Ų8464.7 Ų64.752%0.51531%0.312SS..Hα-helixtrans-72.6-39.5176.569.40000111.3N217 T223N217-T219 PolarHBondContact O-N 3.41Å; N217-T219 VanDerWaalsContact O-N 3.14Å; N217-T219 PolarHBondContact OD1-N 3.24Å; N217-T219 PolarHBondContact OD1-OG1 3.49Å; T219-T223 WeakPolarHBondContact O-CB 3.47Å; T219-T223 PolarHBondContact O-N 2.84Å; T219-T223 PolarHBondContact O-OG1 2.08Å
220L97.1Very high95.3Very high0 Ų066.2 Ų66.20%032%0.32CS..Hα-helixtrans-64.1-48.4172.2177.257.1000111.7L209 C214 N217 Q222 T223 A224 A253 A254 L257 I259L209-L220 HydrophobicContact CD2-CD2 3.78Å; L209-L220 HydrophobicContact CD2-CG 4.03Å; C214-L220 HydrophobicContact CB-CD2 3.97Å; N217-L220 HydrophobicContact CB-CB 4.15Å; N217-L220 PolarHBondContact O-N 2.92Å; N217-L220 VanDerWaalsContact O-N 3.07Å; N217-L220 PolarHBondContact OD1-N 2.89Å; L220-Q222 PolarHBondContact O-N 3.43Å; L220-T223 PolarHBondContact O-N 3.04Å; L220-A224 WeakPolarHBondContact O-CB 3.4Å; L220-A224 PolarHBondContact O-N 3.25Å; L220-A253 HydrophobicContact CD1-CB 3.66Å; L220-A254 HydrophobicContact CD1-CB 4.23Å; L220-L257 HydrophobicContact CB-CD1 4.06Å; L220-L257 HydrophobicContact CD1-CD1 4.24Å; L220-I259 HydrophobicContact CB-CD1 3.89Å; L220-I259 HydrophobicContact CD1-CD1 4.24Å; L220-I259 HydrophobicContact CD2-CD1 3.95Å; L220-I259 HydrophobicContact CG-CD1 4.24Å
221V96.6Very high95.4Very high22 Ų2261.3 Ų61.313%0.13330%0.297CS..Hα-helixtrans-56-51.5177.21790000110.8L209 N217 T223 W225L209-V221 HydrophobicContact CD1-CB 4.22Å; L209-V221 HydrophobicContact CD1-CG2 3.76Å; N217-V221 WeakPolarHBondContact O-CG2 3.39Å; N217-V221 PolarHBondContact O-N 3Å; V221-T223 VanDerWaalsContact C-N 3.33Å; V221-T223 PolarHBondContact O-N 3.42Å; V221-W225 VanDerWaalsContact O-CB 3.26Å; V221-W225 WeakPolarHBondContact O-CB 3.17Å; V221-W225 PolarHBondContact O-N 3.02Å
222Q96.7Very high95.5Very high102 Ų10257.5 Ų57.548%0.47727%0.274SS..Hα-helixtrans-65.8-34.3-179.6-17361.873.300112.5Q218 L220 N226Q218-Q222 VanDerWaalsContact O-CB 3.25Å; Q218-Q222 WeakPolarHBondContact O-CB 3.42Å; Q218-Q222 PolarHBondContact O-N 3.08Å; L220-Q222 PolarHBondContact O-N 3.43Å; Q222-N226 PolarHBondContact NE2-OD1 3.14Å; Q222-N226 WeakPolarHBondContact O-CB 3.3Å; Q222-N226 PolarHBondContact O-N 2.98Å; Q222-N226 PolarHBondContact O-ND2 2.81Å; Q222-N226 PolarHBondContact O-OD1 3.17Å
223T97.4Very high95.5Very high30 Ų3059.5 Ų59.518%0.18428%0.279CS..Hα-helixtrans-72.8-43.4-179.5-59.40000111.5T219 L220 V221 W225 N226 Y227 A253 L257T219-T223 WeakPolarHBondContact O-CB 3.47Å; T219-T223 PolarHBondContact O-N 2.84Å; T219-T223 PolarHBondContact O-OG1 2.08Å; L220-T223 PolarHBondContact O-N 3.04Å; V221-T223 VanDerWaalsContact C-N 3.33Å; V221-T223 PolarHBondContact O-N 3.42Å; T223-W225 VanDerWaalsContact C-N 3.31Å; T223-W225 PolarHBondContact O-N 3.21Å; T223-N226 PolarHBondContact O-N 3.42Å; T223-Y227 HydrophobicContact CG2-CD2 3.98Å; T223-Y227 HydrophobicContact CG2-CE2 3.59Å; T223-Y227 WeakPolarHBondContact O-CD2 3.49Å; T223-Y227 PolarHBondContact O-N 2.92Å; T223-A253 HydrophobicContact CG2-CB 3.73Å; T223-L257 HydrophobicContact CG2-CD1 4.42Å
224A97.9Very high95.6Very high0 Ų051.6 Ų51.60%024%0.243CC..Hα-helixtrans-61.6-41.3172.400000111.4I205 L220 N226 Y227 M228 I250 A253I205-A224 HydrophobicContact CG2-CB 3.81Å; L220-A224 WeakPolarHBondContact O-CB 3.4Å; L220-A224 PolarHBondContact O-N 3.25Å; A224-N226 VanDerWaalsContact C-N 3.33Å; A224-N226 PolarHBondContact O-N 3.09Å; A224-Y227 PolarHBondContact O-N 3.33Å; A224-M228 WeakPolarHBondContact O-CB 3.44Å; A224-M228 PolarHBondContact O-N 3.1Å; A224-I250 HydrophobicContact CB-CG1 4.13Å; A224-A253 HydrophobicContact CB-CB 3.83Å
225W96.3Very high95.7Very high82 Ų8251.7 Ų51.731%0.31124%0.242SC..Hα-helixtrans-64-35.5174.6-168.2-78.7000112.5H202 V206 V221 T223 M228 N229H202-W225 HydrophobicContact CB-CE3 4.46Å; H202-W225 HydrophobicContact CB-CH2 3.77Å; H202-W225 HydrophobicContact CB-CZ2 4.24Å; H202-W225 HydrophobicContact CB-CZ3 3.89Å; H202-W225 AromaticContact CD2-CE2 3.84Å; H202-W225 AromaticContact CD2-CZ2 3.67Å; H202-W225 WeakPolarHBondContact O-CZ3 3.37Å; V206-W225 HydrophobicContact CG2-CE3 4.5Å; V206-W225 HydrophobicContact CG2-CZ3 4.08Å; V221-W225 VanDerWaalsContact O-CB 3.26Å; V221-W225 WeakPolarHBondContact O-CB 3.17Å; V221-W225 PolarHBondContact O-N 3.02Å; T223-W225 VanDerWaalsContact C-N 3.31Å; T223-W225 PolarHBondContact O-N 3.21Å; W225-M228 HydrophobicContact CB-CE 4.43Å; W225-M228 HydrophobicContact CD2-CE 3.92Å; W225-M228 HydrophobicContact CE3-CE 4.43Å; W225-M228 HydrophobicContact CG-CE 3.88Å; W225-M228 WeakPolarHBondContact O-CE 3.25Å; W225-N229 PolarHBondContact NE1-ND2 2.61Å; W225-N229 PolarHBondContact O-N 3.41Å; W225-N229 VanDerWaalsContact O-N 3.13Å; W225-N229 PolarHBondContact O-ND2 3.09Å
226N96.7Very high95.9Very high80 Ų8048.5 Ų48.543%0.42823%0.227SC..Hα-helixtrans-68.4-50.1175.9-70.4-10.5000111.6Q222 T223 A224 M228 N229 D230Q222-N226 PolarHBondContact NE2-OD1 3.14Å; Q222-N226 WeakPolarHBondContact O-CB 3.3Å; Q222-N226 PolarHBondContact O-N 2.98Å; Q222-N226 PolarHBondContact O-ND2 2.81Å; Q222-N226 PolarHBondContact O-OD1 3.17Å; T223-N226 PolarHBondContact O-N 3.42Å; A224-N226 VanDerWaalsContact C-N 3.33Å; A224-N226 PolarHBondContact O-N 3.09Å; N226-M228 PolarHBondContact O-N 3.33Å; N226-N229 PolarHBondContact O-N 3.04Å; N226-N229 VanDerWaalsContact O-N 3.08Å; N226-D230 PolarHBondContact O-N 2.81Å
227Y97.4Very high96Very high44 Ų4439 Ų3917%0.17319%0.191CC..Hα-helixtrans-57.9-38.2177.2-75.2-52.9000112.6T223 A224 D230 S231 L252 A253 A256 T285 Y289T223-Y227 HydrophobicContact CG2-CD2 3.98Å; T223-Y227 HydrophobicContact CG2-CE2 3.59Å; T223-Y227 WeakPolarHBondContact O-CD2 3.49Å; T223-Y227 PolarHBondContact O-N 2.92Å; A224-Y227 PolarHBondContact O-N 3.33Å; Y227-D230 PolarHBondContact O-N 3.05Å; Y227-S231 WeakPolarHBondContact O-CB 3.33Å; Y227-S231 PolarHBondContact O-N 3.4Å; Y227-S231 PolarHBondContact O-OG 3.31Å; Y227-L252 HydrophobicContact CD1-CD2 3.64Å; Y227-L252 HydrophobicContact CD1-CG 4.3Å; Y227-L252 HydrophobicContact CD2-CB 4.17Å; Y227-L252 HydrophobicContact CD2-CD2 4Å; Y227-L252 HydrophobicContact CD2-CG 3.89Å; Y227-L252 HydrophobicContact CE1-CD2 3.86Å; Y227-L252 HydrophobicContact CE1-CG 4.22Å; Y227-L252 HydrophobicContact CE2-CB 4.37Å; Y227-L252 HydrophobicContact CE2-CD2 4.19Å; Y227-L252 HydrophobicContact CE2-CG 3.78Å; Y227-L252 HydrophobicContact CG-CD2 3.74Å; Y227-L252 HydrophobicContact CG-CG 4.16Å; Y227-A253 HydrophobicContact CD2-CB 4.14Å; Y227-A253 HydrophobicContact CE2-CB 4.35Å; Y227-A256 HydrophobicContact CE2-CB 4.28Å; Y227-T285 HydrophobicContact CD1-CG2 4.27Å; Y227-Y289 HydrophobicContact CD1-CE2 4.12Å; Y227-Y289 WeakPolarHBondContact CD1-OH 3.45Å; Y227-Y289 AromaticContact CE1-CE2 3.86Å; Y227-Y289 HydrophobicContact CE1-CE2 3.86Å
228M96.4Very high95.8Very high0 Ų036.3 Ų36.30%018%0.177CC..Hα-helixtrans-66.7-37.8175.5169.2-77.4-62.600113.2P201 H202 I205 A224 W225 N226 D230 S231 L232 C249P201-M228 HydrophobicContact CB-CG 4.18Å; P201-M228 HydrophobicContact CG-CG 3.49Å; P201-M228 VanDerWaalsContact CG-CG 3.49Å; P201-M228 HydrophobicContact CG-SD 4.13Å; H202-M228 HydrophobicContact CB-CE 4.28Å; H202-M228 WeakPolarHBondContact CD2-CE 3.34Å; H202-M228 PolarHBondContact CE1-SD 2.89Å; H202-M228 VanDerWaalsContact NE2-CE 3.35Å; H202-M228 WeakPolarHBondContact NE2-CE 3.41Å; H202-M228 PolarHBondContact NE2-SD 3.38Å; H202-M228 VanDerWaalsContact NE2-SD 3.35Å; I205-M228 HydrophobicContact CD1-CB 3.56Å; I205-M228 HydrophobicContact CD1-CE 4.39Å; I205-M228 HydrophobicContact CD1-CG 3.69Å; A224-M228 WeakPolarHBondContact O-CB 3.44Å; A224-M228 PolarHBondContact O-N 3.1Å; W225-M228 HydrophobicContact CB-CE 4.43Å; W225-M228 HydrophobicContact CD2-CE 3.92Å; W225-M228 HydrophobicContact CE3-CE 4.43Å; W225-M228 HydrophobicContact CG-CE 3.88Å; W225-M228 WeakPolarHBondContact O-CE 3.25Å; N226-M228 PolarHBondContact O-N 3.33Å; M228-D230 VanDerWaalsContact C-N 3.33Å; M228-S231 PolarHBondContact O-OG 2.86Å; M228-S231 VanDerWaalsContact O-OG 3.14Å; M228-L232 PolarHBondContact O-N 3.19Å; M228-C249 HydrophobicContact CB-CB 4.08Å
229N96Very high95.7Very high29 Ų2931.7 Ų31.716%0.15515%0.154CC..Hα-helixtrans-73.3-26.3175.1-71.2-66.5000112.4Q101 H202 W225 N226Q101-N229 WeakPolarHBondContact CG-OD1 3.17Å; Q101-N229 PolarHBondContact NE2-OD1 2.67Å; H202-N229 PolarHBondContact NE2-OD1 3.4Å; W225-N229 PolarHBondContact NE1-ND2 2.61Å; W225-N229 PolarHBondContact O-N 3.41Å; W225-N229 VanDerWaalsContact O-N 3.13Å; W225-N229 PolarHBondContact O-ND2 3.09Å; N226-N229 PolarHBondContact O-N 3.04Å; N226-N229 VanDerWaalsContact O-N 3.08Å
230D95.5Very high95.6Very high33 Ų3328.6 Ų28.618%0.17613%0.133CC..Hα-helixtrans-76.9-38.3172.6-79.4-21.3000112.1N226 Y227 M228 L232 R233 L288 Y289N226-D230 PolarHBondContact O-N 2.81Å; Y227-D230 PolarHBondContact O-N 3.05Å; M228-D230 VanDerWaalsContact C-N 3.33Å; D230-L232 PolarHBondContact O-N 3.09Å; D230-R233 WeakPolarHBondContact O-CB 3.22Å; D230-R233 WeakPolarHBondContact O-CG 3.23Å; D230-R233 PolarHBondContact O-N 2.87Å; D230-R233 IonicContact OD1-CZ 2.69Å; D230-R233 IonicContact OD1-NE 3.36Å; D230-R233 IonicContact OD1-NH2 2.76Å; D230-R233 PolarHBondContact OD1-NH2 3.37Å; D230-L288 HydrophobicContact CB-CD1 4.48Å; D230-L288 WeakPolarHBondContact O-CD1 3.44Å; D230-Y289 WeakPolarHBondContact CB-OH 3.44Å; D230-Y289 WeakPolarHBondContact OD2-CE1 3.4Å; D230-Y289 PolarHBondContact OD2-OH 2.85Å
231S96.4Very high95.4Very high0 Ų031.6 Ų31.60%015%0.147CC..Hα-helixtrans-65.9-18179.372.70000113.6Y227 M228 R233 T234 T285Y227-S231 WeakPolarHBondContact O-CB 3.33Å; Y227-S231 PolarHBondContact O-N 3.4Å; Y227-S231 PolarHBondContact O-OG 3.31Å; M228-S231 PolarHBondContact O-OG 2.86Å; M228-S231 VanDerWaalsContact O-OG 3.14Å; S231-R233 PolarHBondContact O-N 3.17Å; S231-R233 VanDerWaalsContact O-N 3.11Å; S231-T234 WeakPolarHBondContact O-CB 3.44Å; S231-T234 PolarHBondContact O-N 3.15Å; S231-T234 PolarHBondContact O-OG1 3.21Å; S231-T285 WeakPolarHBondContact CB-OG1 3.34Å
232L95.9Very high95.2Very high0 Ų031 Ų310%014%0.144CC..THydrogen-bonded Turntrans-55.9-20.8165.3-73.2163.1000113.8A105 V109 H112 M228 D230 F237A105-L232 HydrophobicContact CB-CD1 3.63Å; A105-L232 HydrophobicContact CB-CD2 3.92Å; A105-L232 HydrophobicContact CB-CG 4.48Å; V109-L232 HydrophobicContact CG2-CD2 4.01Å; H112-L232 PolarHBondContact NE2-O 2.7Å; M228-L232 PolarHBondContact O-N 3.19Å; D230-L232 PolarHBondContact O-N 3.09Å; L232-F237 HydrophobicContact CB-CE2 4.3Å; L232-F237 HydrophobicContact CD2-CD1 3.86Å; L232-F237 HydrophobicContact CD2-CD2 3.8Å; L232-F237 HydrophobicContact CD2-CE1 3.58Å; L232-F237 HydrophobicContact CD2-CE2 3.52Å; L232-F237 HydrophobicContact CD2-CG 3.95Å; L232-F237 HydrophobicContact CD2-CZ 3.4Å; L232-F237 VanDerWaalsContact CD2-CZ 3.4Å; L232-F237 HydrophobicContact CG-CD2 4.21Å; L232-F237 HydrophobicContact CG-CE1 4.41Å; L232-F237 HydrophobicContact CG-CE2 3.62Å; L232-F237 HydrophobicContact CG-CZ 3.73Å
233R95.1Very high95.2Very high74 Ų7429 Ų2928%0.27914%0.135SC..THydrogen-bonded Turntrans-84.6-15.7174.9-48.9-177-143.4-168.610.2113C87 E88 D230 S231 L288C87-R233 HydrophobicContact CB-CB 4.31Å; C87-R233 HydrophobicContact CB-CG 4.06Å; E88-R233 IonicContact OE1-CZ 3.18Å; E88-R233 IonicContact OE1-NH1 2.72Å; E88-R233 PolarHBondContact OE1-NH1 3.32Å; D230-R233 WeakPolarHBondContact O-CB 3.22Å; D230-R233 WeakPolarHBondContact O-CG 3.23Å; D230-R233 PolarHBondContact O-N 2.87Å; D230-R233 IonicContact OD1-CZ 2.69Å; D230-R233 IonicContact OD1-NE 3.36Å; D230-R233 IonicContact OD1-NH2 2.76Å; D230-R233 PolarHBondContact OD1-NH2 3.37Å; S231-R233 PolarHBondContact O-N 3.17Å; S231-R233 VanDerWaalsContact O-N 3.11Å; R233-L288 HydrophobicContact CB-CD1 4Å; R233-L288 HydrophobicContact CB-CD2 4.32Å
234T94.9Very high95.1Very high8 Ų828 Ų285%0.04913%0.128CC..SBendtrans-86.7-178.5172.875.60000111.5H112 S231 V236 E284 L288H112-T234 PolarHBondContact CE1-O 3.38Å; H112-T234 PolarHBondContact NE2-O 2.83Å; S231-T234 WeakPolarHBondContact O-CB 3.44Å; S231-T234 PolarHBondContact O-N 3.15Å; S231-T234 PolarHBondContact O-OG1 3.21Å; T234-V236 WeakPolarHBondContact OG1-CG1 3.33Å; T234-V236 WeakPolarHBondContact OG1-CG2 3.19Å; T234-V236 PolarHBondContact OG1-N 2.72Å; T234-E284 HydrophobicContact CG2-CB 4.37Å; T234-E284 WeakPolarHBondContact CG2-O 3.34Å; T234-L288 HydrophobicContact CG2-CD1 3.63Å; T234-L288 HydrophobicContact CG2-CD2 3.99Å; T234-L288 HydrophobicContact CG2-CG 3.68Å
235N93.5Very high95.1Very high30 Ų3028 Ų2816%0.1613%0.129CC..SBendtrans-86.2-0.3173.465.9-1.6000114.8Y116 F237 V238 R239Y116-N235 HydrophobicContact CE2-CB 4.12Å; Y116-N235 VanDerWaalsContact OH-CB 3.3Å; Y116-N235 WeakPolarHBondContact OH-CB 3.31Å; N235-F237 PolarHBondContact O-N 2.6Å; N235-F237 VanDerWaalsContact O-N 3.14Å; N235-V238 HydrophobicContact CB-CG2 4.27Å; N235-V238 WeakPolarHBondContact O-CG2 3.4Å; N235-V238 PolarHBondContact O-N 3.48Å; N235-R239 PolarHBondContact O-N 2.72Å
236V94.9Very high95.1Very high0 Ų024.1 Ų24.10%011%0.114CC..Hα-helixtrans-59.3-35-170.6-58.60000112.9T234 V238 R239 F240 I245 I281 E284T234-V236 WeakPolarHBondContact OG1-CG1 3.33Å; T234-V236 WeakPolarHBondContact OG1-CG2 3.19Å; T234-V236 PolarHBondContact OG1-N 2.72Å; V236-V238 PolarHBondContact O-N 3.26Å; V236-V238 VanDerWaalsContact O-N 3.1Å; V236-R239 PolarHBondContact O-N 2.97Å; V236-F240 HydrophobicContact CB-CD2 3.95Å; V236-F240 HydrophobicContact CB-CE2 4.47Å; V236-F240 HydrophobicContact CG1-CD2 4.26Å; V236-F240 HydrophobicContact CG1-CE2 4.3Å; V236-F240 PolarHBondContact O-N 2.87Å; V236-I245 HydrophobicContact CG2-CD1 4.17Å; V236-I245 HydrophobicContact CG2-CG1 4.28Å; V236-I281 HydrophobicContact CB-CG1 4.34Å; V236-I281 HydrophobicContact CB-CG2 4.42Å; V236-I281 HydrophobicContact CG1-CB 4.32Å; V236-I281 HydrophobicContact CG1-CG1 4.1Å; V236-I281 HydrophobicContact CG1-CG2 4.13Å; V236-I281 HydrophobicContact CG2-CG2 4.45Å; V236-E284 HydrophobicContact CG1-CB 3.97Å
237F93.9Very high95.1Very high12 Ų1220.3 Ų20.35%0.0539%0.093CC..Hα-helixtrans-67.6-2.1176.4-82-95.3000115.7V109 P201 L232 N235 I245V109-F237 HydrophobicContact CG2-CB 3.88Å; V109-F237 HydrophobicContact CG2-CD1 3.73Å; V109-F237 HydrophobicContact CG2-CG 4.03Å; P201-F237 HydrophobicContact CG-CE1 3.85Å; P201-F237 HydrophobicContact CG-CZ 3.68Å; L232-F237 HydrophobicContact CB-CE2 4.3Å; L232-F237 HydrophobicContact CD2-CD1 3.86Å; L232-F237 HydrophobicContact CD2-CD2 3.8Å; L232-F237 HydrophobicContact CD2-CE1 3.58Å; L232-F237 HydrophobicContact CD2-CE2 3.52Å; L232-F237 HydrophobicContact CD2-CG 3.95Å; L232-F237 HydrophobicContact CD2-CZ 3.4Å; L232-F237 VanDerWaalsContact CD2-CZ 3.4Å; L232-F237 HydrophobicContact CG-CD2 4.21Å; L232-F237 HydrophobicContact CG-CE1 4.41Å; L232-F237 HydrophobicContact CG-CE2 3.62Å; L232-F237 HydrophobicContact CG-CZ 3.73Å; N235-F237 PolarHBondContact O-N 2.6Å; N235-F237 VanDerWaalsContact O-N 3.14Å; F237-I245 HydrophobicContact CD1-CD1 4.25Å; F237-I245 HydrophobicContact CD2-CD1 4.28Å; F237-I245 HydrophobicContact CE2-CG2 4.2Å; F237-I245 HydrophobicContact CG-CD1 4.13Å; F237-I245 HydrophobicContact CZ-CG2 4.26Å
238V92Very high95.2Very high0 Ų018.3 Ų18.30%09%0.086CC..Hα-helixtrans-117.8-0.3167.9-57.80000113.3I59 H112 R113 Y116 N235 V236I59-V238 HydrophobicContact CD1-CB 3.84Å; I59-V238 HydrophobicContact CD1-CG1 4.25Å; I59-V238 HydrophobicContact CD1-CG2 4.11Å; I59-V238 HydrophobicContact CG1-CB 4.05Å; I59-V238 PolarHBondContact N-O 2.95Å; H112-V238 HydrophobicContact CB-CG1 3.88Å; R113-V238 HydrophobicContact CG-CG1 3.69Å; Y116-V238 HydrophobicContact CD2-CG2 3.73Å; Y116-V238 HydrophobicContact CE2-CG2 3.58Å; N235-V238 HydrophobicContact CB-CG2 4.27Å; N235-V238 WeakPolarHBondContact O-CG2 3.4Å; N235-V238 PolarHBondContact O-N 3.48Å; V236-V238 PolarHBondContact O-N 3.26Å; V236-V238 VanDerWaalsContact O-N 3.1Å
239R92.5Very high95.2Very high35 Ų3518.4 Ų18.413%0.1329%0.086CC..Hα-helixtrans-109-44.1179.7-68.3-174.866.9-158.4-3.8113E61 L64 N235 V236 E280E61-R239 IonicContact OE1-CZ 3.73Å; E61-R239 IonicContact OE1-NE 3.43Å; E61-R239 PolarHBondContact OE1-NE 3.41Å; E61-R239 IonicContact OE1-NH2 2.64Å; E61-R239 PolarHBondContact OE1-NH2 3.43Å; L64-R239 HydrophobicContact CD1-CG 3.72Å; L64-R239 HydrophobicContact CD2-CG 4.08Å; N235-R239 PolarHBondContact O-N 2.72Å; V236-R239 PolarHBondContact O-N 2.97Å; R239-E280 IonicContact CZ-OE1 2.67Å; R239-E280 IonicContact CZ-OE2 3.59Å; R239-E280 IonicContact NH1-OE1 2.73Å; R239-E280 PolarHBondContact NH1-OE1 3.01Å; R239-E280 IonicContact NH1-OE2 2.66Å; R239-E280 PolarHBondContact NH1-OE2 3Å; R239-E280 VanDerWaalsContact NH2-CD 3.26Å; R239-E280 IonicContact NH2-OE1 3.54Å; R239-E280 PolarHBondContact NH2-OE1 3.29Å; R239-E280 VanDerWaalsContact NH2-OE1 3.15Å; R239-E280 IonicContact NH2-OE2 3.52Å; R239-E280 PolarHBondContact NH2-OE2 3.09Å
240F93.7Very high95.3Very high19 Ų1917 Ų178%0.0838%0.079CC..SBendtrans-116.5154.4-169.8-55.5-80.8000111.9L58 V236 T244 I245 E277 E280 I281L58-F240 WeakPolarHBondContact CD2-O 3.49Å; V236-F240 HydrophobicContact CB-CD2 3.95Å; V236-F240 HydrophobicContact CB-CE2 4.47Å; V236-F240 HydrophobicContact CG1-CD2 4.26Å; V236-F240 HydrophobicContact CG1-CE2 4.3Å; V236-F240 PolarHBondContact O-N 2.87Å; F240-T244 HydrophobicContact CB-CG2 4.3Å; F240-T244 HydrophobicContact CD1-CG2 4.29Å; F240-I245 HydrophobicContact CB-CD1 4.38Å; F240-I245 HydrophobicContact CB-CG1 4.03Å; F240-E277 HydrophobicContact CD1-CB 4.32Å; F240-E277 HydrophobicContact CD1-CG 4.18Å; F240-E277 HydrophobicContact CE1-CB 4.18Å; F240-E277 HydrophobicContact CE1-CG 4.05Å; F240-E280 HydrophobicContact CZ-CB 4.42Å; F240-E280 HydrophobicContact CZ-CG 4.31Å; F240-I281 HydrophobicContact CB-CD1 3.88Å; F240-I281 HydrophobicContact CD1-CD1 4.08Å; F240-I281 HydrophobicContact CD1-CG1 4.39Å; F240-I281 HydrophobicContact CD2-CD1 3.76Å; F240-I281 HydrophobicContact CD2-CG1 3.46Å; F240-I281 VanDerWaalsContact CD2-CG1 3.46Å; F240-I281 HydrophobicContact CE2-CD1 4.29Å; F240-I281 HydrophobicContact CE2-CG1 3.6Å; F240-I281 HydrophobicContact CG-CD1 3.63Å; F240-I281 HydrophobicContact CG-CG1 3.89Å; F240-I281 HydrophobicContact CZ-CG1 4.14Å
241Q93Very high95.4Very high63 Ų6316.6 Ų16.629%0.2948%0.075SC..  trans-68.5151.3173.9-64.8-66.64.400110.9L58 E243 T244 I245L58-Q241 HydrophobicContact CD1-CG 4.01Å; Q241-E243 PolarHBondContact O-N 3.28Å; Q241-T244 WeakPolarHBondContact O-CB 3.36Å; Q241-T244 PolarHBondContact O-N 3.03Å; Q241-T244 VanDerWaalsContact O-N 3.11Å; Q241-I245 WeakPolarHBondContact O-CG1 3.29Å; Q241-I245 PolarHBondContact O-N 2.62Å
242P94.1Very high95.4Very high11 Ų1117.4 Ų17.47%0.0718%0.079CC..Hα-helixtrans-65-24-179.127.8-35.2000112.8K199 P201 I204 A246K199-P242 HydrophobicContact CB-CG 3.73Å; K199-P242 HydrophobicContact CD-CG 4.31Å; P201-P242 HydrophobicContact CB-CB 4.37Å; I204-P242 HydrophobicContact CD1-CB 3.97Å; I204-P242 HydrophobicContact CD1-CG 4.18Å; P242-A246 VanDerWaalsContact O-CB 3.31Å; P242-A246 WeakPolarHBondContact O-CB 3.29Å; P242-A246 PolarHBondContact O-N 3.04Å
243E94.9Very high95.5Very high59 Ų5917.4 Ų17.428%0.2768%0.079SC..Hα-helixtrans-60.4-52.4168.9-66.674-163.100111.1I204 Y208 Q241 I245 A246 C247I204-E243 HydrophobicContact CD1-CG 4.18Å; Y208-E243 WeakPolarHBondContact OH-CB 3.45Å; Y208-E243 WeakPolarHBondContact OH-CG 3.42Å; Q241-E243 PolarHBondContact O-N 3.28Å; E243-I245 PolarHBondContact O-N 2.66Å; E243-A246 WeakPolarHBondContact O-CB 3.04Å; E243-A246 PolarHBondContact O-N 3.2Å; E243-C247 PolarHBondContact O-N 3.01Å; E243-C247 PolarHBondContact O-SG 3.42Å; E243-C247 VanDerWaalsContact O-SG 3.39Å
244T96.2Very high95.6Very high9 Ų914.1 Ų14.16%0.0557%0.068CC..Hα-helixtrans-57.9-45.2174.3-42.20000111.8F240 Q241 A246 C247 A248 T273 E277 I281F240-T244 HydrophobicContact CB-CG2 4.3Å; F240-T244 HydrophobicContact CD1-CG2 4.29Å; Q241-T244 WeakPolarHBondContact O-CB 3.36Å; Q241-T244 PolarHBondContact O-N 3.03Å; Q241-T244 VanDerWaalsContact O-N 3.11Å; T244-A246 PolarHBondContact O-N 3.42Å; T244-C247 WeakPolarHBondContact O-CB 3.29Å; T244-C247 PolarHBondContact O-N 2.84Å; T244-A248 PolarHBondContact O-N 3.41Å; T244-T273 HydrophobicContact CG2-CG2 3.81Å; T244-E277 HydrophobicContact CG2-CB 3.57Å; T244-E277 HydrophobicContact CG2-CG 4.09Å; T244-E277 WeakPolarHBondContact CG2-OE1 3.4Å; T244-I281 HydrophobicContact CG2-CD1 3.67Å
245I97Very high95.7Very high1 Ų121.6 Ų21.61%0.00510%0.095CC..Hα-helixtrans-64.6-40179-63.5166.3000111P201 V236 F237 F240 Q241 E243 A248 C249 I281P201-I245 HydrophobicContact CB-CG2 4.49Å; P201-I245 HydrophobicContact CG-CG2 4.19Å; V236-I245 HydrophobicContact CG2-CD1 4.17Å; V236-I245 HydrophobicContact CG2-CG1 4.28Å; F237-I245 HydrophobicContact CD1-CD1 4.25Å; F237-I245 HydrophobicContact CD2-CD1 4.28Å; F237-I245 HydrophobicContact CE2-CG2 4.2Å; F237-I245 HydrophobicContact CG-CD1 4.13Å; F237-I245 HydrophobicContact CZ-CG2 4.26Å; F240-I245 HydrophobicContact CB-CD1 4.38Å; F240-I245 HydrophobicContact CB-CG1 4.03Å; Q241-I245 WeakPolarHBondContact O-CG1 3.29Å; Q241-I245 PolarHBondContact O-N 2.62Å; E243-I245 PolarHBondContact O-N 2.66Å; I245-A248 PolarHBondContact O-N 3.3Å; I245-C249 WeakPolarHBondContact O-CB 3.19Å; I245-C249 PolarHBondContact O-N 3.25Å; I245-C249 PolarHBondContact O-SG 2.92Å; I245-I281 HydrophobicContact CG1-CD1 4.18Å
246A97.2Very high95.8Very high0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-62.6-44174.800000111.6P201 I204 I205 Y208 P242 E243 T244 C249 I250P201-A246 HydrophobicContact CB-CB 4.05Å; I204-A246 HydrophobicContact CB-CB 3.86Å; I204-A246 HydrophobicContact CG2-CB 3.66Å; I205-A246 HydrophobicContact CG1-CB 3.64Å; Y208-A246 HydrophobicContact CD2-CB 4.1Å; Y208-A246 HydrophobicContact CE2-CB 4.01Å; P242-A246 VanDerWaalsContact O-CB 3.31Å; P242-A246 WeakPolarHBondContact O-CB 3.29Å; P242-A246 PolarHBondContact O-N 3.04Å; E243-A246 WeakPolarHBondContact O-CB 3.04Å; E243-A246 PolarHBondContact O-N 3.2Å; T244-A246 PolarHBondContact O-N 3.42Å; A246-C249 PolarHBondContact O-N 3.39Å; A246-I250 WeakPolarHBondContact O-CG1 3.43Å; A246-I250 PolarHBondContact O-N 3.45Å; A246-I250 VanDerWaalsContact O-N 3.09Å
247C97.5Very high95.8Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-58.4-49.1175.6-69.10000112Y208 E243 T244 C249 I250 Y251 W267 F268 T273 I278Y208-C247 WeakPolarHBondContact CE2-SG 3.46Å; E243-C247 PolarHBondContact O-N 3.01Å; E243-C247 PolarHBondContact O-SG 3.42Å; E243-C247 VanDerWaalsContact O-SG 3.39Å; T244-C247 WeakPolarHBondContact O-CB 3.29Å; T244-C247 PolarHBondContact O-N 2.84Å; C247-C249 PolarHBondContact O-N 3.41Å; C247-I250 PolarHBondContact O-N 2.95Å; C247-Y251 WeakPolarHBondContact O-CB 3.43Å; C247-Y251 PolarHBondContact O-N 3.46Å; C247-W267 HydrophobicContact CB-CH2 4.19Å; C247-W267 HydrophobicContact CB-CZ3 4.46Å; C247-W267 WeakPolarHBondContact O-CH2 3.41Å; C247-F268 HydrophobicContact CB-CB 4.34Å; C247-T273 HydrophobicContact CB-CG2 3.95Å; C247-I278 HydrophobicContact CB-CD1 4.06Å; C247-I278 HydrophobicContact CB-CG1 4.33Å
248A97.9Very high95.9Very high1 Ų134.1 Ų34.11%0.00816%0.164CC..Hα-helixtrans-62.8-40.1179.800000113T244 I245 Y251 L252 I278 I281T244-A248 PolarHBondContact O-N 3.41Å; I245-A248 PolarHBondContact O-N 3.3Å; A248-Y251 PolarHBondContact O-N 3.26Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 PolarHBondContact O-N 3.18Å; A248-I278 HydrophobicContact CB-CB 4.45Å; A248-I278 HydrophobicContact CB-CG1 4.2Å; A248-I278 HydrophobicContact CB-CG2 4.47Å; A248-I281 HydrophobicContact CB-CB 3.61Å; A248-I281 HydrophobicContact CB-CD1 4.04Å; A248-I281 HydrophobicContact CB-CG1 4.45Å; A248-I281 HydrophobicContact CB-CG2 3.42Å; A248-I281 VanDerWaalsContact CB-CG2 3.42Å
249C98Very high96Very high2 Ų236 Ų361%0.01417%0.174CC..Hα-helixtrans-68.9-34.6179.1-64.70000112.5I205 M228 I245 A246 C247 A253I205-C249 HydrophobicContact CD1-CB 4.06Å; M228-C249 HydrophobicContact CB-CB 4.08Å; I245-C249 WeakPolarHBondContact O-CB 3.19Å; I245-C249 PolarHBondContact O-N 3.25Å; I245-C249 PolarHBondContact O-SG 2.92Å; A246-C249 PolarHBondContact O-N 3.39Å; C247-C249 PolarHBondContact O-N 3.41Å; C249-A253 VanDerWaalsContact O-CB 3.29Å; C249-A253 WeakPolarHBondContact O-CB 3.2Å; C249-A253 PolarHBondContact O-N 3.16Å; C249-A253 VanDerWaalsContact O-N 3.12Å
250I97.5Very high96Very high0 Ų040 Ų400%021%0.205CC..Hα-helixtrans-68.4-46.1171.3-68.9165.5000110.8I205 Y208 L209 L212 A224 A246 C247 L252 A253 A254 L261 W267I205-I250 HydrophobicContact CG2-CD1 4.37Å; I205-I250 HydrophobicContact CG2-CG1 4.1Å; Y208-I250 HydrophobicContact CD2-CD1 4.26Å; L209-I250 HydrophobicContact CD1-CG1 4.35Å; L209-I250 HydrophobicContact CD2-CD1 4.28Å; L209-I250 HydrophobicContact CD2-CG1 4.22Å; L209-I250 HydrophobicContact CD2-CG2 3.91Å; L209-I250 HydrophobicContact CG-CD1 3.93Å; L209-I250 HydrophobicContact CG-CG1 4.11Å; L212-I250 HydrophobicContact CD1-CG2 4.23Å; A224-I250 HydrophobicContact CB-CG1 4.13Å; A246-I250 WeakPolarHBondContact O-CG1 3.43Å; A246-I250 PolarHBondContact O-N 3.45Å; A246-I250 VanDerWaalsContact O-N 3.09Å; C247-I250 PolarHBondContact O-N 2.95Å; I250-L252 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 3Å; I250-A253 PolarHBondContact O-N 3.44Å; I250-A254 WeakPolarHBondContact O-CB 3.32Å; I250-A254 PolarHBondContact O-N 3.11Å; I250-L261 HydrophobicContact CG2-CD1 3.98Å; I250-W267 HydrophobicContact CB-CH2 3.79Å; I250-W267 HydrophobicContact CB-CZ2 4.19Å; I250-W267 HydrophobicContact CD1-CH2 4.4Å; I250-W267 HydrophobicContact CG2-CH2 3.61Å; I250-W267 HydrophobicContact CG2-CZ2 3.72Å; I250-W267 HydrophobicContact CG2-CZ3 4.46Å
251Y97.2Very high95.9Very high24 Ų2440.3 Ų40.39%0.09421%0.207CC..Hα-helixtrans-58-45.5178.3-178.9-84.1000111.7C247 A248 R255 F268 E275 I278C247-Y251 WeakPolarHBondContact O-CB 3.43Å; C247-Y251 PolarHBondContact O-N 3.46Å; A248-Y251 PolarHBondContact O-N 3.26Å; Y251-R255 HydrophobicContact CE1-CG 4.39Å; Y251-R255 VanDerWaalsContact CZ-NE 3.33Å; Y251-R255 WeakPolarHBondContact O-CB 3.34Å; Y251-R255 PolarHBondContact O-N 2.93Å; Y251-R255 VanDerWaalsContact OH-CZ 3.31Å; Y251-R255 PolarHBondContact OH-NE 3.32Å; Y251-R255 PolarHBondContact OH-NH2 2.81Å; Y251-F268 HydrophobicContact CD2-CD1 4.18Å; Y251-F268 AromaticContact CD2-CE1 3.99Å; Y251-F268 HydrophobicContact CD2-CE1 3.99Å; Y251-F268 AromaticContact CE2-CE1 3.89Å; Y251-F268 HydrophobicContact CE2-CE1 3.89Å; Y251-E275 PolarHBondContact OH-OE1 2.95Å; Y251-I278 HydrophobicContact CD1-CG2 3.49Å; Y251-I278 VanDerWaalsContact CD1-CG2 3.49Å; Y251-I278 HydrophobicContact CD2-CG2 3.83Å; Y251-I278 HydrophobicContact CE1-CG2 3.84Å; Y251-I278 HydrophobicContact CE2-CG2 4.14Å; Y251-I278 HydrophobicContact CG-CG2 3.47Å; Y251-I278 VanDerWaalsContact CG-CG2 3.47Å
252L96.9Very high95.9Very high17 Ų1741 Ų419%0.08922%0.217CC..Hα-helixtrans-63.7-44.1177-170.555.8000112Y227 A248 I250 A256 C282 T285 L286Y227-L252 HydrophobicContact CD1-CD2 3.64Å; Y227-L252 HydrophobicContact CD1-CG 4.3Å; Y227-L252 HydrophobicContact CD2-CB 4.17Å; Y227-L252 HydrophobicContact CD2-CD2 4Å; Y227-L252 HydrophobicContact CD2-CG 3.89Å; Y227-L252 HydrophobicContact CE1-CD2 3.86Å; Y227-L252 HydrophobicContact CE1-CG 4.22Å; Y227-L252 HydrophobicContact CE2-CB 4.37Å; Y227-L252 HydrophobicContact CE2-CD2 4.19Å; Y227-L252 HydrophobicContact CE2-CG 3.78Å; Y227-L252 HydrophobicContact CG-CD2 3.74Å; Y227-L252 HydrophobicContact CG-CG 4.16Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 PolarHBondContact O-N 3.18Å; I250-L252 VanDerWaalsContact C-N 3.35Å; I250-L252 PolarHBondContact O-N 3Å; L252-A256 VanDerWaalsContact O-CB 3.28Å; L252-A256 WeakPolarHBondContact O-CB 3.44Å; L252-A256 PolarHBondContact O-N 3.39Å; L252-C282 HydrophobicContact CD1-CB 4.49Å; L252-T285 HydrophobicContact CD2-CG2 4.19Å; L252-L286 HydrophobicContact CD1-CD1 4.01Å; L252-L286 HydrophobicContact CD1-CD2 4.25Å; L252-L286 HydrophobicContact CD1-CG 4.19Å; L252-L286 HydrophobicContact CD2-CD2 4.47Å; L252-L286 HydrophobicContact CD2-CG 4.39Å
253A97.9Very high95.8Very high0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-65.6-42.7177.900000112.9L220 T223 A224 Y227 C249 I250 A256 L257L220-A253 HydrophobicContact CD1-CB 3.66Å; T223-A253 HydrophobicContact CG2-CB 3.73Å; A224-A253 HydrophobicContact CB-CB 3.83Å; Y227-A253 HydrophobicContact CD2-CB 4.14Å; Y227-A253 HydrophobicContact CE2-CB 4.35Å; C249-A253 VanDerWaalsContact O-CB 3.29Å; C249-A253 WeakPolarHBondContact O-CB 3.2Å; C249-A253 PolarHBondContact O-N 3.16Å; C249-A253 VanDerWaalsContact O-N 3.12Å; I250-A253 PolarHBondContact O-N 3.44Å; A253-A256 PolarHBondContact O-N 2.89Å; A253-L257 WeakPolarHBondContact O-CB 3.3Å; A253-L257 VanDerWaalsContact O-CG 3.32Å; A253-L257 WeakPolarHBondContact O-CG 3.44Å; A253-L257 PolarHBondContact O-N 3.03Å
254A97Very high95.5Very high5 Ų552.9 Ų52.94%0.04127%0.267CS..Hα-helixtrans-64.5-44176.800000111.5L220 I250 L257 Q258 I259 L261L220-A254 HydrophobicContact CD1-CB 4.23Å; I250-A254 WeakPolarHBondContact O-CB 3.32Å; I250-A254 PolarHBondContact O-N 3.11Å; A254-L257 CarbonylContact O-C 3.41Å; A254-L257 PolarHBondContact O-N 3.45Å; A254-Q258 PolarHBondContact O-N 2.86Å; A254-I259 HydrophobicContact CB-CB 4.39Å; A254-I259 PolarHBondContact O-N 2.96Å; A254-L261 HydrophobicContact CB-CD1 3.49Å; A254-L261 VanDerWaalsContact CB-CD1 3.49Å; A254-L261 HydrophobicContact CB-CG 3.87Å
255R96Very high95.2Very high166 Ų16657.4 Ų57.463%0.62630%0.297SS*.Hα-helixtrans-60.8-45.4172.6-81.3-171.5170.6-1305.4112.4Y251 L257 Q258Y251-R255 HydrophobicContact CE1-CG 4.39Å; Y251-R255 VanDerWaalsContact CZ-NE 3.33Å; Y251-R255 WeakPolarHBondContact O-CB 3.34Å; Y251-R255 PolarHBondContact O-N 2.93Å; Y251-R255 VanDerWaalsContact OH-CZ 3.31Å; Y251-R255 PolarHBondContact OH-NE 3.32Å; Y251-R255 PolarHBondContact OH-NH2 2.81Å; R255-L257 VanDerWaalsContact C-N 3.3Å; R255-L257 PolarHBondContact O-N 2.87Å; R255-Q258 PolarHBondContact O-N 2.99Å
256A95.7Very high95Very high57 Ų5760.3 Ų60.347%0.47131%0.31SS..Hα-helixtrans-63.8-33.6179.700000113.1Y227 L252 A253Y227-A256 HydrophobicContact CE2-CB 4.28Å; L252-A256 VanDerWaalsContact O-CB 3.28Å; L252-A256 WeakPolarHBondContact O-CB 3.44Å; L252-A256 PolarHBondContact O-N 3.39Å; A253-A256 PolarHBondContact O-N 2.89Å
257L96.6Very high94.9Very high66 Ų6661.2 Ų61.235%0.34631%0.314SS..THydrogen-bonded Turntrans-92.73.2177.5-63.1173.6000113.8L220 T223 A253 A254 R255 I259L220-L257 HydrophobicContact CB-CD1 4.06Å; L220-L257 HydrophobicContact CD1-CD1 4.24Å; T223-L257 HydrophobicContact CG2-CD1 4.42Å; A253-L257 WeakPolarHBondContact O-CB 3.3Å; A253-L257 VanDerWaalsContact O-CG 3.32Å; A253-L257 WeakPolarHBondContact O-CG 3.44Å; A253-L257 PolarHBondContact O-N 3.03Å; A254-L257 CarbonylContact O-C 3.41Å; A254-L257 PolarHBondContact O-N 3.45Å; R255-L257 VanDerWaalsContact C-N 3.3Å; R255-L257 PolarHBondContact O-N 2.87Å; L257-I259 HydrophobicContact CB-CD1 3.67Å; L257-I259 HydrophobicContact CB-CG1 3.9Å; L257-I259 HydrophobicContact CD1-CD1 3.93Å; L257-I259 HydrophobicContact CG-CD1 4.48Å; L257-I259 PolarHBondContact O-N 3.32Å
258Q95.3Very high94.8Very high181 Ų18161.4 Ų61.485%0.84631%0.314SS*.THydrogen-bonded Turntrans5630.7-176.6-56.1-178-700114.3A254 R255A254-Q258 PolarHBondContact O-N 2.86Å; R255-Q258 PolarHBondContact O-N 2.99Å
259I94.3Very high94.6Very high39 Ų3966 Ų6620%0.234%0.338CS..  trans-85.7121.3179.1-62.7166.5000109.1N217 L220 A254 L257 L261N217-I259 VanDerWaalsContact ND2-CD1 3.29Å; N217-I259 WeakPolarHBondContact ND2-CD1 3.48Å; L220-I259 HydrophobicContact CB-CD1 3.89Å; L220-I259 HydrophobicContact CD1-CD1 4.24Å; L220-I259 HydrophobicContact CD2-CD1 3.95Å; L220-I259 HydrophobicContact CG-CD1 4.24Å; A254-I259 HydrophobicContact CB-CB 4.39Å; A254-I259 PolarHBondContact O-N 2.96Å; L257-I259 HydrophobicContact CB-CD1 3.67Å; L257-I259 HydrophobicContact CB-CG1 3.9Å; L257-I259 HydrophobicContact CD1-CD1 3.93Å; L257-I259 HydrophobicContact CG-CD1 4.48Å; L257-I259 PolarHBondContact O-N 3.32Å; I259-L261 HydrophobicContact CG2-CD2 4.43Å; I259-L261 PolarHBondContact O-N 2.88Å
260P92.5Very high94.4Very high120 Ų12071.9 Ų71.978%0.77937%0.369SS*.  trans-71.3128.617429.5-33.1000110.4
261L92.3Very high94.2Very high26 Ų2673.6 Ų73.614%0.13638%0.377CS..  trans-114.2160.5169.5-64.6-179.4000109.8L212 I250 A254 I259 T263 W267L212-L261 HydrophobicContact CD1-CD1 4.49Å; I250-L261 HydrophobicContact CG2-CD1 3.98Å; A254-L261 HydrophobicContact CB-CD1 3.49Å; A254-L261 VanDerWaalsContact CB-CD1 3.49Å; A254-L261 HydrophobicContact CB-CG 3.87Å; I259-L261 HydrophobicContact CG2-CD2 4.43Å; I259-L261 PolarHBondContact O-N 2.88Å; L261-T263 PolarHBondContact O-N 2.83Å; L261-W267 HydrophobicContact CB-CG 4.41Å; L261-W267 HydrophobicContact CD1-CZ2 3.98Å
262P92.2Very high93.9Very high76 Ų7675.8 Ų75.849%0.49441%0.406SS..  trans-60.4129.1-175.8-23.733.3000113.8H266 W267P262-H266 WeakPolarHBondContact O-CA 3.4Å; P262-W267 HydrophobicContact CB-CB 4.17Å; P262-W267 HydrophobicContact CG-CB 4.33Å; P262-W267 PolarHBondContact O-N 3.17Å
263T90.9Very high93.8Very high83 Ų8375.1 Ų75.151%0.50940%0.403SS..BIsolated β-bridgetrans-116-4.2-17951.90000114L261 P265 H266L261-T263 PolarHBondContact O-N 2.83Å; T263-P265 CarbonylContact C-O 3.44Å; T263-P265 VanDerWaalsContact C-O 3.28Å; T263-P265 CarbonylContact O-C 3.54Å; T263-H266 PolarHBondContact O-CD2 2.94Å; T263-H266 PolarHBondContact O-N 3.45Å; T263-H266 PolarHBondContact O-NE2 2.82Å
264R89.7Confident93.7Very high237 Ų23778 Ų7889%0.89442%0.42SS*.THydrogen-bonded Turntrans-137.791.5178.6-65.3-175.7-176.9139.90.8111.3
265P89.4Confident93.6Very high104 Ų10480.3 Ų80.368%0.67543%0.431SS*.THydrogen-bonded Turncis-66165.7-11.431.4-36.5000112T263 W267 L269T263-P265 CarbonylContact C-O 3.44Å; T263-P265 VanDerWaalsContact C-O 3.28Å; T263-P265 CarbonylContact O-C 3.54Å; P265-W267 PolarHBondContact O-N 3.14Å; P265-L269 HydrophobicContact CB-CD1 4.33Å
266H93.6Very high93.6Very high63 Ų6380 Ų8029%0.29244%0.436SS..BIsolated β-bridgetrans-64.1126.2172.3-78-114.6000110.4P262 T263 F268 L269 E275P262-H266 WeakPolarHBondContact O-CA 3.4Å; T263-H266 PolarHBondContact O-CD2 2.94Å; T263-H266 PolarHBondContact O-N 3.45Å; T263-H266 PolarHBondContact O-NE2 2.82Å; H266-F268 HydrophobicContact CB-CD1 4.29Å; H266-F268 HydrophobicContact CB-CD2 4.19Å; H266-F268 HydrophobicContact CB-CE1 3.79Å; H266-F268 HydrophobicContact CB-CE2 3.67Å; H266-F268 HydrophobicContact CB-CG 4.49Å; H266-F268 HydrophobicContact CB-CZ 3.46Å; H266-F268 VanDerWaalsContact CB-CZ 3.46Å; H266-F268 AromaticContact CG-CZ 3.64Å; H266-F268 AromaticContact ND1-CE1 3.48Å; H266-F268 WeakPolarHBondContact ND1-CE1 3.45Å; H266-F268 AromaticContact ND1-CZ 3.29Å; H266-F268 VanDerWaalsContact ND1-CZ 3.29Å; H266-F268 WeakPolarHBondContact ND1-CZ 3.5Å; H266-F268 PolarHBondContact O-N 3.42Å; H266-F268 VanDerWaalsContact O-N 3.1Å; H266-L269 HydrophobicContact CB-CD1 4.01Å; H266-L269 HydrophobicContact CB-CG 4.16Å; H266-L269 VanDerWaalsContact O-CB 3.31Å; H266-L269 WeakPolarHBondContact O-CB 3.36Å; H266-L269 WeakPolarHBondContact O-CG 3.47Å; H266-L269 PolarHBondContact O-N 3.08Å; H266-E275 IonicContact CE1-OE2 3.17Å; H266-E275 IonicContact ND1-OE2 3.47Å
267W95.1Very high93.6Very high19 Ų1979.6 Ų79.67%0.07243%0.425CS..G310 helixtrans-56.5-32-170.867.9-92.7000114.6L212 C247 I250 L261 P262 P265 L269 L270 F271L212-W267 HydrophobicContact CD1-CD2 4.05Å; L212-W267 HydrophobicContact CD1-CE3 3.77Å; L212-W267 HydrophobicContact CD1-CH2 4.45Å; L212-W267 HydrophobicContact CD1-CZ3 3.99Å; L212-W267 HydrophobicContact CD2-CB 3.78Å; L212-W267 HydrophobicContact CD2-CD2 4.12Å; L212-W267 HydrophobicContact CD2-CE3 4.06Å; L212-W267 HydrophobicContact CD2-CG 4.03Å; L212-W267 HydrophobicContact CG-CE3 4.4Å; C247-W267 HydrophobicContact CB-CH2 4.19Å; C247-W267 HydrophobicContact CB-CZ3 4.46Å; C247-W267 WeakPolarHBondContact O-CH2 3.41Å; I250-W267 HydrophobicContact CB-CH2 3.79Å; I250-W267 HydrophobicContact CB-CZ2 4.19Å; I250-W267 HydrophobicContact CD1-CH2 4.4Å; I250-W267 HydrophobicContact CG2-CH2 3.61Å; I250-W267 HydrophobicContact CG2-CZ2 3.72Å; I250-W267 HydrophobicContact CG2-CZ3 4.46Å; L261-W267 HydrophobicContact CB-CG 4.41Å; L261-W267 HydrophobicContact CD1-CZ2 3.98Å; P262-W267 HydrophobicContact CB-CB 4.17Å; P262-W267 HydrophobicContact CG-CB 4.33Å; P262-W267 PolarHBondContact O-N 3.17Å; P265-W267 PolarHBondContact O-N 3.14Å; W267-L269 PolarHBondContact O-N 3.31Å; W267-L270 VanDerWaalsContact O-CB 3.27Å; W267-L270 WeakPolarHBondContact O-CB 3.23Å; W267-L270 PolarHBondContact O-N 3.3Å; W267-F271 AromaticContact CE3-CD2 3.96Å; W267-F271 HydrophobicContact CE3-CD2 3.96Å; W267-F271 AromaticContact CE3-CE2 3.75Å; W267-F271 HydrophobicContact CE3-CE2 3.75Å; W267-F271 AromaticContact CZ3-CD2 3.8Å; W267-F271 HydrophobicContact CZ3-CD2 3.8Å; W267-F271 AromaticContact CZ3-CE2 3.76Å; W267-F271 HydrophobicContact CZ3-CE2 3.76Å
268F95.1Very high93.6Very high4 Ų476.5 Ų76.52%0.01841%0.408CS..G310 helixtrans-69.8-18.4-178.848.2-108.8000113.7C247 Y251 H266 L270 F271 T273 E275 I278C247-F268 HydrophobicContact CB-CB 4.34Å; Y251-F268 HydrophobicContact CD2-CD1 4.18Å; Y251-F268 AromaticContact CD2-CE1 3.99Å; Y251-F268 HydrophobicContact CD2-CE1 3.99Å; Y251-F268 AromaticContact CE2-CE1 3.89Å; Y251-F268 HydrophobicContact CE2-CE1 3.89Å; H266-F268 HydrophobicContact CB-CD1 4.29Å; H266-F268 HydrophobicContact CB-CD2 4.19Å; H266-F268 HydrophobicContact CB-CE1 3.79Å; H266-F268 HydrophobicContact CB-CE2 3.67Å; H266-F268 HydrophobicContact CB-CG 4.49Å; H266-F268 HydrophobicContact CB-CZ 3.46Å; H266-F268 VanDerWaalsContact CB-CZ 3.46Å; H266-F268 AromaticContact CG-CZ 3.64Å; H266-F268 AromaticContact ND1-CE1 3.48Å; H266-F268 WeakPolarHBondContact ND1-CE1 3.45Å; H266-F268 AromaticContact ND1-CZ 3.29Å; H266-F268 VanDerWaalsContact ND1-CZ 3.29Å; H266-F268 WeakPolarHBondContact ND1-CZ 3.5Å; H266-F268 PolarHBondContact O-N 3.42Å; H266-F268 VanDerWaalsContact O-N 3.1Å; F268-L270 PolarHBondContact O-N 3.08Å; F268-F271 CarbonylContact O-C 3.41Å; F268-F271 PolarHBondContact O-N 2.96Å; F268-T273 WeakPolarHBondContact CD2-O 3.43Å; F268-T273 PolarHBondContact O-N 3.34Å; F268-E275 HydrophobicContact CE2-CB 3.95Å; F268-E275 HydrophobicContact CZ-CB 3.69Å; F268-E275 HydrophobicContact CZ-CG 4.1Å; F268-I278 HydrophobicContact CB-CD1 3.58Å; F268-I278 HydrophobicContact CD1-CD1 3.48Å; F268-I278 VanDerWaalsContact CD1-CD1 3.48Å; F268-I278 HydrophobicContact CD2-CD1 3.85Å; F268-I278 HydrophobicContact CE1-CD1 4.04Å; F268-I278 HydrophobicContact CE2-CD1 4.37Å; F268-I278 HydrophobicContact CG-CD1 3.36Å; F268-I278 HydrophobicContact CZ-CD1 4.45Å
269L94.4Very high93.7Very high96 Ų9672.3 Ų72.350%0.50339%0.389SS..G310 helixtrans-64.9-27.6174.4-60.3171.7000111.6P265 H266 W267 F271 G272P265-L269 HydrophobicContact CB-CD1 4.33Å; H266-L269 HydrophobicContact CB-CD1 4.01Å; H266-L269 HydrophobicContact CB-CG 4.16Å; H266-L269 VanDerWaalsContact O-CB 3.31Å; H266-L269 WeakPolarHBondContact O-CB 3.36Å; H266-L269 WeakPolarHBondContact O-CG 3.47Å; H266-L269 PolarHBondContact O-N 3.08Å; W267-L269 PolarHBondContact O-N 3.31Å; L269-F271 PolarHBondContact O-N 2.97Å; L269-G272 PolarHBondContact O-N 3.1Å; L269-G272 VanDerWaalsContact O-N 3.15Å
270L92.4Very high93.8Very high127 Ų12773.9 Ų73.967%0.66540%0.395SS*.G310 helixtrans-60.5-24.6172.4-176.661.8000112.5V211 W267 F268V211-L270 HydrophobicContact CG1-CD2 3.89Å; W267-L270 VanDerWaalsContact O-CB 3.27Å; W267-L270 WeakPolarHBondContact O-CB 3.23Å; W267-L270 PolarHBondContact O-N 3.3Å; F268-L270 PolarHBondContact O-N 3.08Å
271F93.4Very high94Very high36 Ų3668.2 Ų68.216%0.15836%0.358CS..G310 helixtrans-10719.4-179-52.5-47.8000112.4Y208 V211 W267 F268 L269 T273Y208-F271 AromaticContact CD1-CD1 3.74Å; Y208-F271 HydrophobicContact CD1-CD1 3.74Å; Y208-F271 AromaticContact CD1-CD2 3.99Å; Y208-F271 HydrophobicContact CD1-CD2 3.99Å; Y208-F271 AromaticContact CD1-CE1 3.48Å; Y208-F271 HydrophobicContact CD1-CE1 3.48Å; Y208-F271 VanDerWaalsContact CD1-CE1 3.48Å; Y208-F271 AromaticContact CD1-CE2 3.74Å; Y208-F271 HydrophobicContact CD1-CE2 3.74Å; Y208-F271 AromaticContact CD1-CG 3.99Å; Y208-F271 HydrophobicContact CD1-CG 3.99Å; Y208-F271 AromaticContact CD1-CZ 3.48Å; Y208-F271 HydrophobicContact CD1-CZ 3.48Å; Y208-F271 VanDerWaalsContact CD1-CZ 3.48Å; Y208-F271 AromaticContact CD2-CD2 3.74Å; Y208-F271 HydrophobicContact CD2-CD2 3.74Å; Y208-F271 AromaticContact CD2-CE2 3.92Å; Y208-F271 HydrophobicContact CD2-CE2 3.92Å; Y208-F271 HydrophobicContact CD2-CG 4.18Å; Y208-F271 HydrophobicContact CE1-CB 4.28Å; Y208-F271 AromaticContact CE1-CD1 3.36Å; Y208-F271 HydrophobicContact CE1-CD1 3.36Å; Y208-F271 HydrophobicContact CE1-CD2 4.07Å; Y208-F271 AromaticContact CE1-CE1 3.59Å; Y208-F271 HydrophobicContact CE1-CE1 3.59Å; Y208-F271 HydrophobicContact CE1-CE2 4.25Å; Y208-F271 AromaticContact CE1-CG 3.63Å; Y208-F271 HydrophobicContact CE1-CG 3.63Å; Y208-F271 HydrophobicContact CE1-CZ 4.04Å; Y208-F271 HydrophobicContact CE2-CB 4.04Å; Y208-F271 HydrophobicContact CE2-CD1 4.44Å; Y208-F271 AromaticContact CE2-CD2 3.84Å; Y208-F271 HydrophobicContact CE2-CD2 3.84Å; Y208-F271 HydrophobicContact CE2-CE2 4.42Å; Y208-F271 AromaticContact CE2-CG 3.85Å; Y208-F271 HydrophobicContact CE2-CG 3.85Å; Y208-F271 HydrophobicContact CG-CD1 4.42Å; Y208-F271 AromaticContact CG-CD2 3.82Å; Y208-F271 HydrophobicContact CG-CD2 3.82Å; Y208-F271 HydrophobicContact CG-CE1 4.19Å; Y208-F271 AromaticContact CG-CE2 3.55Å; Y208-F271 HydrophobicContact CG-CE2 3.55Å; Y208-F271 HydrophobicContact CG-CG 4.26Å; Y208-F271 AromaticContact CG-CZ 3.75Å; Y208-F271 HydrophobicContact CG-CZ 3.75Å; Y208-F271 AromaticContact CZ-CD1 3.77Å; Y208-F271 AromaticContact CZ-CD2 4Å; Y208-F271 AromaticContact CZ-CG 3.55Å; V211-F271 HydrophobicContact CB-CZ 4.14Å; V211-F271 HydrophobicContact CG1-CE1 4.36Å; V211-F271 HydrophobicContact CG1-CZ 3.94Å; W267-F271 AromaticContact CE3-CD2 3.96Å; W267-F271 HydrophobicContact CE3-CD2 3.96Å; W267-F271 AromaticContact CE3-CE2 3.75Å; W267-F271 HydrophobicContact CE3-CE2 3.75Å; W267-F271 AromaticContact CZ3-CD2 3.8Å; W267-F271 HydrophobicContact CZ3-CD2 3.8Å; W267-F271 AromaticContact CZ3-CE2 3.76Å; W267-F271 HydrophobicContact CZ3-CE2 3.76Å; F268-F271 CarbonylContact O-C 3.41Å; F268-F271 PolarHBondContact O-N 2.96Å; L269-F271 PolarHBondContact O-N 2.97Å; F271-T273 PolarHBondContact O-N 3.2Å; F271-T273 PolarHBondContact O-OG1 3.21Å
272G92.2Very high94.3Very high70 Ų7067.4 Ų67.472%0.72236%0.355SS*.THydrogen-bonded Turntrans65.816.7175.100000115L269L269-G272 PolarHBondContact O-N 3.1Å; L269-G272 VanDerWaalsContact O-N 3.15Å
273T93.8Very high94.5Very high3 Ų367.5 Ų67.52%0.01835%0.35CS..  trans-100.2140.7-177.2-62.50000110.8T244 C247 F268 F271 I278T244-T273 HydrophobicContact CG2-CG2 3.81Å; C247-T273 HydrophobicContact CB-CG2 3.95Å; F268-T273 WeakPolarHBondContact CD2-O 3.43Å; F268-T273 PolarHBondContact O-N 3.34Å; F271-T273 PolarHBondContact O-N 3.2Å; F271-T273 PolarHBondContact O-OG1 3.21Å; T273-I278 HydrophobicContact CG2-CD1 3.64Å; T273-I278 HydrophobicContact CG2-CG1 3.57Å
274T95.5Very high94.6Very high59 Ų5965.2 Ų65.236%0.36233%0.334SS..  trans-87.7162.317465.70000112.5E276 E277 I278T274-E276 VanDerWaalsContact C-N 3.29Å; T274-E277 WeakPolarHBondContact CB-OE2 3.48Å; T274-E277 PolarHBondContact N-OE2 2.95Å; T274-E277 VanDerWaalsContact OG1-CG 3.26Å; T274-E277 WeakPolarHBondContact OG1-CG 3.3Å; T274-E277 PolarHBondContact OG1-N 3.01Å; T274-E277 PolarHBondContact OG1-OE2 3.18Å; T274-I278 WeakPolarHBondContact O-CG1 3.29Å; T274-I278 PolarHBondContact O-N 3.11Å
275E95Very high94.9Very high55 Ų5554 Ų5426%0.25729%0.292SS..Hα-helixtrans-69.9-29.6171.2-172.3157.6-173.700112.1Y251 H266 F268 I278 Q279Y251-E275 PolarHBondContact OH-OE1 2.95Å; H266-E275 IonicContact CE1-OE2 3.17Å; H266-E275 IonicContact ND1-OE2 3.47Å; F268-E275 HydrophobicContact CE2-CB 3.95Å; F268-E275 HydrophobicContact CZ-CB 3.69Å; F268-E275 HydrophobicContact CZ-CG 4.1Å; E275-I278 PolarHBondContact O-N 3.38Å; E275-Q279 HydrophobicContact CG-CG 4Å; E275-Q279 WeakPolarHBondContact O-CB 3.44Å; E275-Q279 WeakPolarHBondContact O-CG 3.47Å; E275-Q279 PolarHBondContact O-N 3.17Å; E275-Q279 PolarHBondContact OE1-NE2 3.23Å
276E96.1Very high95.3Very high159 Ų15952.7 Ų52.774%0.74328%0.279SS*.Hα-helixtrans-64.3-49-178.4-66.4168.5-168.800111.4T274 I278 Q279 E280T274-E276 VanDerWaalsContact C-N 3.29Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 3.1Å; E276-Q279 PolarHBondContact O-N 3.21Å; E276-E280 PolarHBondContact O-N 3.15Å
277E96Very high95.3Very high49 Ų4956.1 Ų56.123%0.22929%0.289CS..Hα-helixtrans-58.7-42.6172.5-67.4164.199.900112F240 T244 T274 E280 I281F240-E277 HydrophobicContact CD1-CB 4.32Å; F240-E277 HydrophobicContact CD1-CG 4.18Å; F240-E277 HydrophobicContact CE1-CB 4.18Å; F240-E277 HydrophobicContact CE1-CG 4.05Å; T244-E277 HydrophobicContact CG2-CB 3.57Å; T244-E277 HydrophobicContact CG2-CG 4.09Å; T244-E277 WeakPolarHBondContact CG2-OE1 3.4Å; T274-E277 WeakPolarHBondContact CB-OE2 3.48Å; T274-E277 PolarHBondContact N-OE2 2.95Å; T274-E277 VanDerWaalsContact OG1-CG 3.26Å; T274-E277 WeakPolarHBondContact OG1-CG 3.3Å; T274-E277 PolarHBondContact OG1-N 3.01Å; T274-E277 PolarHBondContact OG1-OE2 3.18Å; E277-E280 PolarHBondContact O-N 3.45Å; E277-I281 WeakPolarHBondContact O-CB 3.39Å; E277-I281 WeakPolarHBondContact O-CD1 3.25Å; E277-I281 VanDerWaalsContact O-CG1 3.25Å; E277-I281 WeakPolarHBondContact O-CG1 3.34Å; E277-I281 PolarHBondContact O-N 3.45Å
278I97Very high95.2Very high0 Ų056.7 Ų56.70%029%0.293CS..Hα-helixtrans-61.9-47.3178.4-77.7171.7000110.9C247 A248 Y251 F268 T273 T274 E275 E276 E280 I281 C282C247-I278 HydrophobicContact CB-CD1 4.06Å; C247-I278 HydrophobicContact CB-CG1 4.33Å; A248-I278 HydrophobicContact CB-CB 4.45Å; A248-I278 HydrophobicContact CB-CG1 4.2Å; A248-I278 HydrophobicContact CB-CG2 4.47Å; Y251-I278 HydrophobicContact CD1-CG2 3.49Å; Y251-I278 VanDerWaalsContact CD1-CG2 3.49Å; Y251-I278 HydrophobicContact CD2-CG2 3.83Å; Y251-I278 HydrophobicContact CE1-CG2 3.84Å; Y251-I278 HydrophobicContact CE2-CG2 4.14Å; Y251-I278 HydrophobicContact CG-CG2 3.47Å; Y251-I278 VanDerWaalsContact CG-CG2 3.47Å; F268-I278 HydrophobicContact CB-CD1 3.58Å; F268-I278 HydrophobicContact CD1-CD1 3.48Å; F268-I278 VanDerWaalsContact CD1-CD1 3.48Å; F268-I278 HydrophobicContact CD2-CD1 3.85Å; F268-I278 HydrophobicContact CE1-CD1 4.04Å; F268-I278 HydrophobicContact CE2-CD1 4.37Å; F268-I278 HydrophobicContact CG-CD1 3.36Å; F268-I278 HydrophobicContact CZ-CD1 4.45Å; T273-I278 HydrophobicContact CG2-CD1 3.64Å; T273-I278 HydrophobicContact CG2-CG1 3.57Å; T274-I278 WeakPolarHBondContact O-CG1 3.29Å; T274-I278 PolarHBondContact O-N 3.11Å; E275-I278 PolarHBondContact O-N 3.38Å; E276-I278 VanDerWaalsContact C-N 3.32Å; E276-I278 PolarHBondContact O-N 3.1Å; I278-E280 VanDerWaalsContact C-N 3.34Å; I278-I281 PolarHBondContact O-N 3.14Å; I278-C282 VanDerWaalsContact O-CB 3.23Å; I278-C282 WeakPolarHBondContact O-CB 3.39Å; I278-C282 PolarHBondContact O-N 3.39Å; I278-C282 PolarHBondContact O-SG 2.66Å
279Q96.8Very high95.1Very high93 Ų9362 Ų6244%0.43531%0.314SS..Hα-helixtrans-63.1-41.7179.4-73.7-175.118.800110.7E275 E276 C282 I283E275-Q279 HydrophobicContact CG-CG 4Å; E275-Q279 WeakPolarHBondContact O-CB 3.44Å; E275-Q279 WeakPolarHBondContact O-CG 3.47Å; E275-Q279 PolarHBondContact O-N 3.17Å; E275-Q279 PolarHBondContact OE1-NE2 3.23Å; E276-Q279 PolarHBondContact O-N 3.21Å; Q279-C282 WeakPolarHBondContact O-CB 3.49Å; Q279-C282 PolarHBondContact O-N 3.39Å; Q279-I283 WeakPolarHBondContact O-CB 3.4Å; Q279-I283 WeakPolarHBondContact O-CD1 3.41Å; Q279-I283 WeakPolarHBondContact O-CG1 3.39Å; Q279-I283 PolarHBondContact O-N 3.02Å
280E96.4Very high95Very high72 Ų7263 Ų6334%0.33632%0.324SS..Hα-helixtrans-66.2-46.5177.1-173.7165.7-15600112.8R239 F240 E276 E277 I278 C282 I283 E284R239-E280 IonicContact CZ-OE1 2.67Å; R239-E280 IonicContact CZ-OE2 3.59Å; R239-E280 IonicContact NH1-OE1 2.73Å; R239-E280 PolarHBondContact NH1-OE1 3.01Å; R239-E280 IonicContact NH1-OE2 2.66Å; R239-E280 PolarHBondContact NH1-OE2 3Å; R239-E280 VanDerWaalsContact NH2-CD 3.26Å; R239-E280 IonicContact NH2-OE1 3.54Å; R239-E280 PolarHBondContact NH2-OE1 3.29Å; R239-E280 VanDerWaalsContact NH2-OE1 3.15Å; R239-E280 IonicContact NH2-OE2 3.52Å; R239-E280 PolarHBondContact NH2-OE2 3.09Å; F240-E280 HydrophobicContact CZ-CB 4.42Å; F240-E280 HydrophobicContact CZ-CG 4.31Å; E276-E280 PolarHBondContact O-N 3.15Å; E277-E280 PolarHBondContact O-N 3.45Å; I278-E280 VanDerWaalsContact C-N 3.34Å; E280-C282 VanDerWaalsContact C-N 3.27Å; E280-C282 PolarHBondContact O-N 2.93Å; E280-I283 PolarHBondContact O-N 3.42Å; E280-I283 VanDerWaalsContact O-N 3.11Å; E280-E284 PolarHBondContact O-N 2.87Å
281I97Very high94.9Very high1 Ų161.3 Ų61.31%0.00531%0.309CS..Hα-helixtrans-61.5-38.4177-65.8164.4000110.9V236 F240 T244 I245 A248 E277 I278 T285V236-I281 HydrophobicContact CB-CG1 4.34Å; V236-I281 HydrophobicContact CB-CG2 4.42Å; V236-I281 HydrophobicContact CG1-CB 4.32Å; V236-I281 HydrophobicContact CG1-CG1 4.1Å; V236-I281 HydrophobicContact CG1-CG2 4.13Å; V236-I281 HydrophobicContact CG2-CG2 4.45Å; F240-I281 HydrophobicContact CB-CD1 3.88Å; F240-I281 HydrophobicContact CD1-CD1 4.08Å; F240-I281 HydrophobicContact CD1-CG1 4.39Å; F240-I281 HydrophobicContact CD2-CD1 3.76Å; F240-I281 HydrophobicContact CD2-CG1 3.46Å; F240-I281 VanDerWaalsContact CD2-CG1 3.46Å; F240-I281 HydrophobicContact CE2-CD1 4.29Å; F240-I281 HydrophobicContact CE2-CG1 3.6Å; F240-I281 HydrophobicContact CG-CD1 3.63Å; F240-I281 HydrophobicContact CG-CG1 3.89Å; F240-I281 HydrophobicContact CZ-CG1 4.14Å; T244-I281 HydrophobicContact CG2-CD1 3.67Å; I245-I281 HydrophobicContact CG1-CD1 4.18Å; A248-I281 HydrophobicContact CB-CB 3.61Å; A248-I281 HydrophobicContact CB-CD1 4.04Å; A248-I281 HydrophobicContact CB-CG1 4.45Å; A248-I281 HydrophobicContact CB-CG2 3.42Å; A248-I281 VanDerWaalsContact CB-CG2 3.42Å; E277-I281 WeakPolarHBondContact O-CB 3.39Å; E277-I281 WeakPolarHBondContact O-CD1 3.25Å; E277-I281 VanDerWaalsContact O-CG1 3.25Å; E277-I281 WeakPolarHBondContact O-CG1 3.34Å; E277-I281 PolarHBondContact O-N 3.45Å; I278-I281 PolarHBondContact O-N 3.14Å; I281-T285 WeakPolarHBondContact O-CB 3.49Å; I281-T285 PolarHBondContact O-N 3.31Å; I281-T285 PolarHBondContact O-OG1 3.48Å
282C97.3Very high94.8Very high10 Ų1068.7 Ų68.77%0.06834%0.341CS..Hα-helixtrans-62.9-45.1172.6-76.10000112.1L252 I278 Q279 E280 T285 L286L252-C282 HydrophobicContact CD1-CB 4.49Å; I278-C282 VanDerWaalsContact O-CB 3.23Å; I278-C282 WeakPolarHBondContact O-CB 3.39Å; I278-C282 PolarHBondContact O-N 3.39Å; I278-C282 PolarHBondContact O-SG 2.66Å; Q279-C282 WeakPolarHBondContact O-CB 3.49Å; Q279-C282 PolarHBondContact O-N 3.39Å; E280-C282 VanDerWaalsContact C-N 3.27Å; E280-C282 PolarHBondContact O-N 2.93Å; C282-T285 PolarHBondContact O-N 3.42Å; C282-L286 VanDerWaalsContact O-CB 3.29Å; C282-L286 WeakPolarHBondContact O-CB 3.45Å; C282-L286 VanDerWaalsContact O-CG 3.23Å; C282-L286 WeakPolarHBondContact O-CG 3.45Å; C282-L286 PolarHBondContact O-N 2.89Å
283I96.5Very high94.6Very high78 Ų7873.7 Ų73.740%0.434%0.343SS..Hα-helixtrans-64.3-45.8178.8-73.9163.6000111Q279 E280 L286 R287Q279-I283 WeakPolarHBondContact O-CB 3.4Å; Q279-I283 WeakPolarHBondContact O-CD1 3.41Å; Q279-I283 WeakPolarHBondContact O-CG1 3.39Å; Q279-I283 PolarHBondContact O-N 3.02Å; E280-I283 PolarHBondContact O-N 3.42Å; E280-I283 VanDerWaalsContact O-N 3.11Å; I283-L286 PolarHBondContact O-N 2.99Å; I283-R287 HydrophobicContact CG2-CG 4.42Å; I283-R287 WeakPolarHBondContact O-CB 3.37Å; I283-R287 WeakPolarHBondContact O-CG 3.45Å; I283-R287 PolarHBondContact O-N 3.49Å
284E94.9Very high94.3Very high34 Ų3474.6 Ų74.616%0.15935%0.349CS..Hα-helixtrans-62.7-41.8175.7-80.3-57.4126.800112.5T234 V236 E280 R287T234-E284 HydrophobicContact CG2-CB 4.37Å; T234-E284 WeakPolarHBondContact CG2-O 3.34Å; V236-E284 HydrophobicContact CG1-CB 3.97Å; E280-E284 PolarHBondContact O-N 2.87Å; E284-R287 WeakPolarHBondContact O-CB 3.48Å; E284-R287 PolarHBondContact O-N 2.97Å; E284-R287 VanDerWaalsContact OE1-CD 3.27Å; E284-R287 WeakPolarHBondContact OE1-CD 3.47Å; E284-R287 IonicContact OE1-CZ 3.58Å; E284-R287 IonicContact OE1-NE 3.88Å; E284-R287 IonicContact OE1-NH1 3.49Å; E284-R287 PolarHBondContact OE1-NH1 3.44Å
285T95.9Very high93.9Very high2 Ų275.9 Ų75.91%0.01235%0.354CS..Hα-helixtrans-65.1-42.9176.3-54.10000111Y227 S231 L252 I281 C282 L288Y227-T285 HydrophobicContact CD1-CG2 4.27Å; S231-T285 WeakPolarHBondContact CB-OG1 3.34Å; L252-T285 HydrophobicContact CD2-CG2 4.19Å; I281-T285 WeakPolarHBondContact O-CB 3.49Å; I281-T285 PolarHBondContact O-N 3.31Å; I281-T285 PolarHBondContact O-OG1 3.48Å; C282-T285 PolarHBondContact O-N 3.42Å; T285-L288 WeakPolarHBondContact O-CB 3.23Å; T285-L288 PolarHBondContact O-N 3.32Å
286L96Very high93.6Very high77 Ų7774.7 Ų74.740%0.40335%0.347SS..Hα-helixtrans-69.5-31.1177.8-72.3173.9000113.2L252 C282 I283 L288 Y289L252-L286 HydrophobicContact CD1-CD1 4.01Å; L252-L286 HydrophobicContact CD1-CD2 4.25Å; L252-L286 HydrophobicContact CD1-CG 4.19Å; L252-L286 HydrophobicContact CD2-CD2 4.47Å; L252-L286 HydrophobicContact CD2-CG 4.39Å; C282-L286 VanDerWaalsContact O-CB 3.29Å; C282-L286 WeakPolarHBondContact O-CB 3.45Å; C282-L286 VanDerWaalsContact O-CG 3.23Å; C282-L286 WeakPolarHBondContact O-CG 3.45Å; C282-L286 PolarHBondContact O-N 2.89Å; I283-L286 PolarHBondContact O-N 2.99Å; L286-L288 PolarHBondContact O-N 3.06Å; L286-Y289 HydrophobicContact CD2-CD2 4.15Å; L286-Y289 HydrophobicContact CD2-CE2 4.43Å; L286-Y289 PolarHBondContact O-N 3.14Å; L286-Y289 VanDerWaalsContact O-N 3.14Å
287R94.4Very high93.2Very high134 Ų13472 Ų7251%0.50634%0.335SS..Hα-helixtrans-57.7-27.9172.7-80.6167.1-179-176.13.7112.1I283 E284 T290 R291I283-R287 HydrophobicContact CG2-CG 4.42Å; I283-R287 WeakPolarHBondContact O-CB 3.37Å; I283-R287 WeakPolarHBondContact O-CG 3.45Å; I283-R287 PolarHBondContact O-N 3.49Å; E284-R287 WeakPolarHBondContact O-CB 3.48Å; E284-R287 PolarHBondContact O-N 2.97Å; E284-R287 VanDerWaalsContact OE1-CD 3.27Å; E284-R287 WeakPolarHBondContact OE1-CD 3.47Å; E284-R287 IonicContact OE1-CZ 3.58Å; E284-R287 IonicContact OE1-NE 3.88Å; E284-R287 IonicContact OE1-NH1 3.49Å; E284-R287 PolarHBondContact OE1-NH1 3.44Å; R287-T290 PolarHBondContact O-N 3.42Å; R287-T290 PolarHBondContact O-OG1 2.79Å; R287-T290 VanDerWaalsContact O-OG1 3.11Å; R287-R291 WeakPolarHBondContact O-CG 3.38Å; R287-R291 PolarHBondContact O-N 3.37Å
288L93.3Very high93Very high31 Ų3174.9 Ų74.916%0.16235%0.351CS..Hα-helixtrans-61.7-44.7174.5-66.3179.7000112.5I84 D230 R233 T234 T285 L286 T290 R291I84-L288 HydrophobicContact CD1-CD2 3.72Å; I84-L288 HydrophobicContact CG1-CD2 3.98Å; D230-L288 HydrophobicContact CB-CD1 4.48Å; D230-L288 WeakPolarHBondContact O-CD1 3.44Å; R233-L288 HydrophobicContact CB-CD1 4Å; R233-L288 HydrophobicContact CB-CD2 4.32Å; T234-L288 HydrophobicContact CG2-CD1 3.63Å; T234-L288 HydrophobicContact CG2-CD2 3.99Å; T234-L288 HydrophobicContact CG2-CG 3.68Å; T285-L288 WeakPolarHBondContact O-CB 3.23Å; T285-L288 PolarHBondContact O-N 3.32Å; L286-L288 PolarHBondContact O-N 3.06Å; L288-T290 PolarHBondContact O-N 2.88Å; L288-R291 PolarHBondContact O-N 3.36Å
289Y92.5Very high92.8Very high116 Ų11675.5 Ų75.546%0.45535%0.354SS..Hα-helixtrans-72.9-16.1-175.4-53-64.4000113.3Y227 D230 L286Y227-Y289 HydrophobicContact CD1-CE2 4.12Å; Y227-Y289 WeakPolarHBondContact CD1-OH 3.45Å; Y227-Y289 AromaticContact CE1-CE2 3.86Å; Y227-Y289 HydrophobicContact CE1-CE2 3.86Å; D230-Y289 WeakPolarHBondContact CB-OH 3.44Å; D230-Y289 WeakPolarHBondContact OD2-CE1 3.4Å; D230-Y289 PolarHBondContact OD2-OH 2.85Å; L286-Y289 HydrophobicContact CD2-CD2 4.15Å; L286-Y289 HydrophobicContact CD2-CE2 4.43Å; L286-Y289 PolarHBondContact O-N 3.14Å; L286-Y289 VanDerWaalsContact O-N 3.14Å
290T92.5Very high92.5Very high116 Ų11675.5 Ų75.571%0.71235%0.354SS*.Hα-helixtrans-92.4-12.2175.864.80000113.6R287 L288R287-T290 PolarHBondContact O-N 3.42Å; R287-T290 PolarHBondContact O-OG1 2.79Å; R287-T290 VanDerWaalsContact O-OG1 3.11Å; L288-T290 PolarHBondContact O-N 2.88Å
291R91.2Very high92.3Very high92 Ų9278 Ų7835%0.34736%0.364SS..SBendtrans-73.7140.9177.7-73.117892.492.21.8111.8P77 D81 R287 L288P77-R291 PolarHBondContact O-NH2 3Å; D81-R291 IonicContact OD1-CZ 2.67Å; D81-R291 VanDerWaalsContact OD1-CZ 3.24Å; D81-R291 IonicContact OD1-NE 3.72Å; D81-R291 PolarHBondContact OD1-NE 3.39Å; D81-R291 IonicContact OD1-NH2 3.97Å; D81-R291 PolarHBondContact OD1-NH2 2.96Å; D81-R291 IonicContact OD2-NH2 2.7Å; R287-R291 WeakPolarHBondContact O-CG 3.38Å; R287-R291 PolarHBondContact O-N 3.37Å; L288-R291 PolarHBondContact O-N 3.36Å
292K90.8Very high92.1Very high192 Ų19279.9 Ų79.984%0.83537%0.372SS*.PPolyproline II helixtrans-69.4141.8166.5-65.9177.1-179174.60108.9P294K292-P294 WeakPolarHBondContact O-CD 3.18Å
293K87.2Confident91.9Very high174 Ų17480.4 Ų80.476%0.75738%0.375SS*.PPolyproline II helixtrans-61.5121.6179.3-175.9163.9-172.6154.10110.6
294P87.2Confident91.7Very high22 Ų2280.6 Ų80.614%0.14338%0.375CS..PPolyproline II helixtrans-69.7145.5-174.924.9-33.8000113.1D81 L85 K292 Y296 L299D81-P294 HydrophobicContact CB-CB 3.69Å; D81-P294 HydrophobicContact CB-CG 4.08Å; L85-P294 HydrophobicContact CD1-CB 4.14Å; L85-P294 HydrophobicContact CD1-CG 3.97Å; L85-P294 HydrophobicContact CD2-CG 4.05Å; L85-P294 HydrophobicContact CG-CB 4.48Å; L85-P294 HydrophobicContact CG-CG 3.77Å; K292-P294 WeakPolarHBondContact O-CD 3.18Å; P294-Y296 PolarHBondContact O-N 3.49Å; P294-L299 HydrophobicContact CB-CD1 3.83Å
295N88.3Confident91.7Very high87 Ų8784.9 Ų84.947%0.46539%0.393SS..  trans-89.5106.4175.4-174.2-12.1000110.6E297 L298 L299N295-E297 VanDerWaalsContact C-N 3.27Å; N295-E297 PolarHBondContact O-N 3.05Å; N295-E297 PolarHBondContact OD1-N 3.24Å; N295-E297 VanDerWaalsContact OD1-N 3.11Å; N295-L298 HydrophobicContact CB-CB 4.4Å; N295-L298 HydrophobicContact CB-CD1 4.05Å; N295-L298 HydrophobicContact CB-CG 4.15Å; N295-L298 PolarHBondContact O-N 3.17Å; N295-L298 VanDerWaalsContact O-N 3.15Å; N295-L299 PolarHBondContact O-N 2.75Å
296Y88.9Confident91.6Very high29 Ų2988.1 Ų88.111%0.11441%0.405CS..Hα-helixtrans-48.8-44.3178.8-177.2-84.1000113.4L85 F125 E126 P294 L298 L299 E300L85-Y296 HydrophobicContact CD1-CD2 4.34Å; F125-Y296 HydrophobicContact CD1-CE2 4.09Å; F125-Y296 AromaticContact CE1-CE2 3.73Å; F125-Y296 HydrophobicContact CE1-CE2 3.73Å; E126-Y296 PolarHBondContact OE1-OH 3.17Å; P294-Y296 PolarHBondContact O-N 3.49Å; Y296-L298 VanDerWaalsContact C-N 3.32Å; Y296-L298 PolarHBondContact O-N 2.9Å; Y296-L299 PolarHBondContact O-N 2.84Å; Y296-E300 HydrophobicContact CE1-CB 4.02Å; Y296-E300 VanDerWaalsContact CE1-CD 3.44Å; Y296-E300 HydrophobicContact CE1-CG 4.32Å; Y296-E300 VanDerWaalsContact CE1-OE1 3.32Å; Y296-E300 WeakPolarHBondContact CE1-OE1 3.31Å; Y296-E300 WeakPolarHBondContact CE1-OE2 3.42Å; Y296-E300 WeakPolarHBondContact O-CB 3.39Å; Y296-E300 PolarHBondContact O-N 2.82Å; Y296-E300 PolarHBondContact OH-OE1 3.3Å
297E88.1Confident91.4Very high104 Ų10488 Ų8849%0.48640%0.401SS..Hα-helixtrans-70.1-27.2-175-66-169.6-171.400113.6N295 K301N295-E297 VanDerWaalsContact C-N 3.27Å; N295-E297 PolarHBondContact O-N 3.05Å; N295-E297 PolarHBondContact OD1-N 3.24Å; N295-E297 VanDerWaalsContact OD1-N 3.11Å; E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 WeakPolarHBondContact O-CD 3.36Å; E297-K301 WeakPolarHBondContact O-CG 3.37Å; E297-K301 PolarHBondContact O-N 2.87Å; E297-K301 IonicContact OE2-NZ 2.7Å
298L91.5Very high91.4Very high108 Ų10884.8 Ų84.857%0.56540%0.396SS*.Hα-helixtrans-77.6-41.1177.1-63.3-179.6000110.5N295 Y296 K301 E302N295-L298 HydrophobicContact CB-CB 4.4Å; N295-L298 HydrophobicContact CB-CD1 4.05Å; N295-L298 HydrophobicContact CB-CG 4.15Å; N295-L298 PolarHBondContact O-N 3.17Å; N295-L298 VanDerWaalsContact O-N 3.15Å; Y296-L298 VanDerWaalsContact C-N 3.32Å; Y296-L298 PolarHBondContact O-N 2.9Å; L298-K301 PolarHBondContact O-N 3.23Å; L298-E302 PolarHBondContact O-N 3.4Å
299L91.5Very high91.4Very high13 Ų1385.7 Ų85.77%0.06841%0.408CS..Hα-helixtrans-66.7-40.4176.8-67.8166.8000111.9D81 L82 L85 P294 N295 Y296 K301 E302 V303D81-L299 HydrophobicContact CB-CD1 3.75Å; D81-L299 HydrophobicContact CB-CD2 4.49Å; L82-L299 HydrophobicContact CD2-CB 4Å; L82-L299 HydrophobicContact CG-CB 4.48Å; L85-L299 HydrophobicContact CD1-CD1 3.59Å; P294-L299 HydrophobicContact CB-CD1 3.83Å; N295-L299 PolarHBondContact O-N 2.75Å; Y296-L299 PolarHBondContact O-N 2.84Å; L299-K301 VanDerWaalsContact C-N 3.34Å; L299-K301 PolarHBondContact O-N 3.25Å; L299-E302 PolarHBondContact O-N 3.02Å; L299-V303 WeakPolarHBondContact O-CB 3.48Å; L299-V303 VanDerWaalsContact O-CG2 3.3Å; L299-V303 WeakPolarHBondContact O-CG2 3.39Å; L299-V303 PolarHBondContact O-N 2.75Å
300E90.5Very high91.3Very high94 Ų9481.7 Ų81.744%0.43939%0.394SS..Hα-helixtrans-62.9-39.5174.7-171.6168.2-108.400111.8Y296 E304Y296-E300 HydrophobicContact CE1-CB 4.02Å; Y296-E300 VanDerWaalsContact CE1-CD 3.44Å; Y296-E300 HydrophobicContact CE1-CG 4.32Å; Y296-E300 VanDerWaalsContact CE1-OE1 3.32Å; Y296-E300 WeakPolarHBondContact CE1-OE1 3.31Å; Y296-E300 WeakPolarHBondContact CE1-OE2 3.42Å; Y296-E300 WeakPolarHBondContact O-CB 3.39Å; Y296-E300 PolarHBondContact O-N 2.82Å; Y296-E300 PolarHBondContact OH-OE1 3.3Å; E300-E304 WeakPolarHBondContact O-CB 3.3Å; E300-E304 PolarHBondContact O-N 3.44Å
301K92.4Very high91.2Very high125 Ų12581 Ų8154%0.54338%0.383SS..Hα-helixtrans-66.2-43.1174.4-74165.7-169.4159.50112.6E297 L298 L299 E304 K305E297-K301 WeakPolarHBondContact O-CB 3.49Å; E297-K301 WeakPolarHBondContact O-CD 3.36Å; E297-K301 WeakPolarHBondContact O-CG 3.37Å; E297-K301 PolarHBondContact O-N 2.87Å; E297-K301 IonicContact OE2-NZ 2.7Å; L298-K301 PolarHBondContact O-N 3.23Å; L299-K301 VanDerWaalsContact C-N 3.34Å; L299-K301 PolarHBondContact O-N 3.25Å; K301-E304 PolarHBondContact O-N 3.39Å; K301-K305 VanDerWaalsContact O-CB 3.3Å; K301-K305 WeakPolarHBondContact O-CB 3.49Å; K301-K305 PolarHBondContact O-N 3.23Å
302E93.1Very high91.2Very high39 Ų3980.2 Ų80.218%0.18238%0.383CS..Hα-helixtrans-68.1-42.3178.7-174.361.1-160.900111.5L74 L298 L299 E304 K305 R306L74-E302 HydrophobicContact CD1-CG 4.49Å; L298-E302 PolarHBondContact O-N 3.4Å; L299-E302 PolarHBondContact O-N 3.02Å; E302-E304 PolarHBondContact O-N 2.84Å; E302-K305 PolarHBondContact O-N 2.95Å; E302-K305 IonicContact OE1-NZ 3.42Å; E302-K305 PolarHBondContact OE1-NZ 3.15Å; E302-K305 WeakPolarHBondContact OE2-CD 3.37Å; E302-K305 IonicContact OE2-NZ 2.72Å; E302-K305 PolarHBondContact OE2-NZ 2.96Å; E302-R306 WeakPolarHBondContact O-CG 3.36Å; E302-R306 PolarHBondContact O-N 2.69Å; E302-R306 IonicContact OE1-CZ 3.36Å; E302-R306 IonicContact OE1-NE 3.15Å; E302-R306 PolarHBondContact OE1-NE 3.37Å; E302-R306 IonicContact OE1-NH2 3.4Å; E302-R306 PolarHBondContact OE1-NH2 2.98Å
303V93.4Very high91.2Very high21 Ų2173.6 Ų73.613%0.12737%0.365CS..Hα-helixtrans-60.1-44.2173.8170.60000111.3L74 L82 L299 R306 K307L74-V303 HydrophobicContact CD1-CG2 4.37Å; L74-V303 HydrophobicContact CD2-CG2 4.49Å; L82-V303 HydrophobicContact CD1-CG2 3.52Å; L82-V303 HydrophobicContact CD2-CG2 4.44Å; L299-V303 WeakPolarHBondContact O-CB 3.48Å; L299-V303 VanDerWaalsContact O-CG2 3.3Å; L299-V303 WeakPolarHBondContact O-CG2 3.39Å; L299-V303 PolarHBondContact O-N 2.75Å; V303-R306 PolarHBondContact O-N 3.03Å; V303-K307 VanDerWaalsContact O-CB 3.25Å; V303-K307 WeakPolarHBondContact O-CB 3.26Å; V303-K307 PolarHBondContact O-N 3.28Å
304E93Very high91.3Very high83 Ų8370 Ų7039%0.38835%0.349SS..Hα-helixtrans-67-40.4178.1-169.156.8-135.200111.8E300 K301 E302 R306 K307 V308E300-E304 WeakPolarHBondContact O-CB 3.3Å; E300-E304 PolarHBondContact O-N 3.44Å; K301-E304 PolarHBondContact O-N 3.39Å; E302-E304 PolarHBondContact O-N 2.84Å; E304-R306 PolarHBondContact O-N 2.82Å; E304-K307 CarbonylContact O-C 3.51Å; E304-K307 WeakPolarHBondContact O-CA 3.32Å; E304-K307 WeakPolarHBondContact O-CB 3.3Å; E304-K307 PolarHBondContact O-N 3.47Å; E304-K307 VanDerWaalsContact O-N 3.09Å; E304-K307 IonicContact OE1-NZ 2.66Å; E304-K307 PolarHBondContact OE1-NZ 3.39Å; E304-K307 IonicContact OE2-NZ 3.2Å; E304-K307 PolarHBondContact OE2-NZ 3.41Å; E304-V308 WeakPolarHBondContact O-CG2 3.47Å; E304-V308 PolarHBondContact O-N 3Å
305K94.2Very high91.3Very high124 Ų12471.4 Ų71.454%0.53936%0.355SS..Hα-helixtrans-57.6-46172.6169.8-178.8150.3-144.50112.1K301 E302 K307 V308 A309K301-K305 VanDerWaalsContact O-CB 3.3Å; K301-K305 WeakPolarHBondContact O-CB 3.49Å; K301-K305 PolarHBondContact O-N 3.23Å; E302-K305 PolarHBondContact O-N 2.95Å; E302-K305 IonicContact OE1-NZ 3.42Å; E302-K305 PolarHBondContact OE1-NZ 3.15Å; E302-K305 WeakPolarHBondContact OE2-CD 3.37Å; E302-K305 IonicContact OE2-NZ 2.72Å; E302-K305 PolarHBondContact OE2-NZ 2.96Å; K305-K307 VanDerWaalsContact C-N 3.32Å; K305-K307 PolarHBondContact O-N 2.9Å; K305-V308 PolarHBondContact O-N 3.25Å; K305-A309 PolarHBondContact O-N 3.36Å
306R92.7Very high91.3Very high70 Ų7073.5 Ų73.526%0.26436%0.36SS..Hα-helixtrans-65.1-35.9173.5-61.4-50.6174.3105.725.9112.1G73 V121 E302 V303 E304 A309 L310G73-R306 PolarHBondContact O-NH1 2.91Å; V121-R306 VanDerWaalsContact CG1-C 3.49Å; V121-R306 HydrophobicContact CG1-CB 3.76Å; V121-R306 HydrophobicContact CG2-CB 3.96Å; E302-R306 WeakPolarHBondContact O-CG 3.36Å; E302-R306 PolarHBondContact O-N 2.69Å; E302-R306 IonicContact OE1-CZ 3.36Å; E302-R306 IonicContact OE1-NE 3.15Å; E302-R306 PolarHBondContact OE1-NE 3.37Å; E302-R306 IonicContact OE1-NH2 3.4Å; E302-R306 PolarHBondContact OE1-NH2 2.98Å; V303-R306 PolarHBondContact O-N 3.03Å; E304-R306 PolarHBondContact O-N 2.82Å; R306-A309 PolarHBondContact O-N 3.43Å; R306-L310 WeakPolarHBondContact O-CB 3.47Å; R306-L310 PolarHBondContact O-N 2.92Å
307K93.3Very high91.2Very high74 Ų7476.4 Ų76.432%0.32239%0.39SS..Hα-helixtrans-68.8-32.6177.7169.6167.5157.3-81.70112.5V121 V303 E304 K305 Q311V121-K307 HydrophobicContact CG1-CB 3.94Å; V303-K307 VanDerWaalsContact O-CB 3.25Å; V303-K307 WeakPolarHBondContact O-CB 3.26Å; V303-K307 PolarHBondContact O-N 3.28Å; E304-K307 CarbonylContact O-C 3.51Å; E304-K307 WeakPolarHBondContact O-CA 3.32Å; E304-K307 WeakPolarHBondContact O-CB 3.3Å; E304-K307 PolarHBondContact O-N 3.47Å; E304-K307 VanDerWaalsContact O-N 3.09Å; E304-K307 IonicContact OE1-NZ 2.66Å; E304-K307 PolarHBondContact OE1-NZ 3.39Å; E304-K307 IonicContact OE2-NZ 3.2Å; E304-K307 PolarHBondContact OE2-NZ 3.41Å; K305-K307 VanDerWaalsContact C-N 3.32Å; K305-K307 PolarHBondContact O-N 2.9Å; K307-Q311 VanDerWaalsContact O-CG 3.3Å; K307-Q311 WeakPolarHBondContact O-CG 3.4Å; K307-Q311 PolarHBondContact O-N 2.87Å; K307-Q311 PolarHBondContact O-NE2 3.27Å
308V93.3Very high91.1Very high66 Ų6679 Ų7940%0.440%0.4SS..Hα-helixtrans-69.7-51.7169.6172.80000110.5E304 K305 L310 Q311 E312E304-V308 WeakPolarHBondContact O-CG2 3.47Å; E304-V308 PolarHBondContact O-N 3Å; K305-V308 PolarHBondContact O-N 3.25Å; V308-L310 VanDerWaalsContact C-N 3.28Å; V308-L310 PolarHBondContact O-N 3.11Å; V308-Q311 WeakPolarHBondContact O-CA 3.48Å; V308-Q311 WeakPolarHBondContact O-CB 3.36Å; V308-Q311 PolarHBondContact O-N 2.73Å; V308-E312 PolarHBondContact O-N 3.03Å
309A93Very high90.1Very high50 Ų5075.7 Ų75.741%0.41339%0.392SS..Hα-helixtrans-57-40.1178.400000112.8K305 R306 Q311 E312 A313K305-A309 PolarHBondContact O-N 3.36Å; R306-A309 PolarHBondContact O-N 3.43Å; A309-Q311 VanDerWaalsContact C-N 3.3Å; A309-Q311 PolarHBondContact O-N 3.46Å; A309-E312 PolarHBondContact O-N 3.23Å; A309-A313 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 2.82Å
310L90.9Very high88.9Confident32 Ų3277.5 Ų77.517%0.16840%0.401CS..Hα-helixtrans-69-24.4175.3-177.863.7000113.2D72 V121 K122 R306 V308 K314D72-L310 HydrophobicContact CB-CD2 4.2Å; D72-L310 WeakPolarHBondContact OD1-CD2 3.23Å; V121-L310 HydrophobicContact CB-CD2 4.45Å; V121-L310 HydrophobicContact CG1-CB 4.37Å; V121-L310 HydrophobicContact CG1-CD2 3.8Å; K122-L310 HydrophobicContact CG-CD2 3.99Å; R306-L310 WeakPolarHBondContact O-CB 3.47Å; R306-L310 PolarHBondContact O-N 2.92Å; V308-L310 VanDerWaalsContact C-N 3.28Å; V308-L310 PolarHBondContact O-N 3.11Å; L310-K314 VanDerWaalsContact O-CD 3.22Å; L310-K314 WeakPolarHBondContact O-CD 3.41Å; L310-K314 VanDerWaalsContact O-CG 3.23Å; L310-K314 WeakPolarHBondContact O-CG 3.21Å
311Q90.6Very high87.4Confident102 Ų10276.1 Ų76.148%0.47740%0.397SS..Hα-helixtrans-79.2-45.2171.5-78.2170.391.500111K307 V308 A309 A313 K314 L315K307-Q311 VanDerWaalsContact O-CG 3.3Å; K307-Q311 WeakPolarHBondContact O-CG 3.4Å; K307-Q311 PolarHBondContact O-N 2.87Å; K307-Q311 PolarHBondContact O-NE2 3.27Å; V308-Q311 WeakPolarHBondContact O-CA 3.48Å; V308-Q311 WeakPolarHBondContact O-CB 3.36Å; V308-Q311 PolarHBondContact O-N 2.73Å; A309-Q311 VanDerWaalsContact C-N 3.3Å; A309-Q311 PolarHBondContact O-N 3.46Å; Q311-A313 VanDerWaalsContact C-N 3.35Å; Q311-A313 PolarHBondContact O-N 3.36Å; Q311-K314 CarbonylContact O-C 3.59Å; Q311-K314 WeakPolarHBondContact O-CB 3.34Å; Q311-K314 PolarHBondContact O-N 3.06Å; Q311-K314 VanDerWaalsContact O-N 3.08Å; Q311-L315 PolarHBondContact O-N 3.42Å
312E91Very high86Confident75 Ų7574.5 Ų74.535%0.3540%0.399SS..Hα-helixtrans-56.2-47.5173.3-74.1-176.3-138.500112.1V308 A309 K314 L315 K316V308-E312 PolarHBondContact O-N 3.03Å; A309-E312 PolarHBondContact O-N 3.23Å; E312-K314 PolarHBondContact O-N 3.41Å; E312-L315 PolarHBondContact O-N 2.91Å; E312-K316 HydrophobicContact CB-CD 4.46Å; E312-K316 WeakPolarHBondContact O-CB 3.49Å; E312-K316 WeakPolarHBondContact O-CG 3.22Å; E312-K316 PolarHBondContact O-N 3.05Å; E312-K316 IonicContact OE2-NZ 3.24Å; E312-K316 PolarHBondContact OE2-NZ 2.74Å
313A90.3Very high84.6Confident54 Ų5479.4 Ų79.445%0.44643%0.427SS..Hα-helixtrans-57.6-36177.200000111.9A309 Q311 A317A309-A313 WeakPolarHBondContact O-CB 3.32Å; A309-A313 PolarHBondContact O-N 2.82Å; Q311-A313 VanDerWaalsContact C-N 3.35Å; Q311-A313 PolarHBondContact O-N 3.36Å; A313-A317 WeakPolarHBondContact O-CB 3.39Å; A313-A317 PolarHBondContact O-N 3.01Å
314K89.6Confident83.1Confident98 Ų9880.5 Ų80.543%0.42644%0.442SS..Hα-helixtrans-78-19.3176.6-72.2169.1-170.3163.60114.3L310 Q311 E312 K318L310-K314 VanDerWaalsContact O-CD 3.22Å; L310-K314 WeakPolarHBondContact O-CD 3.41Å; L310-K314 VanDerWaalsContact O-CG 3.23Å; L310-K314 WeakPolarHBondContact O-CG 3.21Å; Q311-K314 CarbonylContact O-C 3.59Å; Q311-K314 WeakPolarHBondContact O-CB 3.34Å; Q311-K314 PolarHBondContact O-N 3.06Å; Q311-K314 VanDerWaalsContact O-N 3.08Å; E312-K314 PolarHBondContact O-N 3.41Å; K314-K318 WeakPolarHBondContact O-CD 3.24Å; K314-K318 VanDerWaalsContact O-CG 3.25Å; K314-K318 WeakPolarHBondContact O-CG 3.47Å
315L88.3Confident81.7Confident52 Ų5279.9 Ų79.927%0.27244%0.444SS..Hα-helixtrans-81.9-48.5170.1-68.7172.8000109.8Q311 E312 A317 K318 G319 L320Q311-L315 PolarHBondContact O-N 3.42Å; E312-L315 PolarHBondContact O-N 2.91Å; L315-A317 PolarHBondContact O-N 2.82Å; L315-K318 CarbonylContact O-C 3.5Å; L315-K318 WeakPolarHBondContact O-CA 3.33Å; L315-K318 WeakPolarHBondContact O-CB 3.36Å; L315-K318 PolarHBondContact O-N 2.97Å; L315-G319 PolarHBondContact O-N 3.09Å; L315-L320 CarbonylContact C-O 3.56Å; L315-L320 HydrophobicContact CB-CB 4.25Å; L315-L320 HydrophobicContact CD2-CB 4.16Å; L315-L320 HydrophobicContact CD2-CD1 4.12Å; L315-L320 PolarHBondContact O-N 3.34Å
316K88Confident80Confident131 Ų13178.8 Ų78.857%0.5745%0.45SS*.Hα-helixtrans-54.1-48.4174.1-70.5162.1177165.70111.3E312 K318 G319 L320E312-K316 HydrophobicContact CB-CD 4.46Å; E312-K316 WeakPolarHBondContact O-CB 3.49Å; E312-K316 WeakPolarHBondContact O-CG 3.22Å; E312-K316 PolarHBondContact O-N 3.05Å; E312-K316 IonicContact OE2-NZ 3.24Å; E312-K316 PolarHBondContact OE2-NZ 2.74Å; K316-K318 PolarHBondContact O-N 3.45Å; K316-K318 VanDerWaalsContact O-N 3.1Å; K316-G319 PolarHBondContact O-N 3.36Å; K316-L320 PolarHBondContact N-O 3.18Å
317A85.6Confident78.4Confident90 Ų9077.4 Ų77.474%0.74445%0.453SS*.THydrogen-bonded Turntrans-67.9-4.3175.200000115.3A313 L315A313-A317 WeakPolarHBondContact O-CB 3.39Å; A313-A317 PolarHBondContact O-N 3.01Å; L315-A317 PolarHBondContact O-N 2.82Å
318K85.9Confident76.5Confident158 Ų15882.1 Ų82.169%0.68748%0.481SS*.THydrogen-bonded Turntrans-108.65.9172.3-73.6179.8178.9-172.50113.1K314 L315 K316 L320K314-K318 WeakPolarHBondContact O-CD 3.24Å; K314-K318 VanDerWaalsContact O-CG 3.25Å; K314-K318 WeakPolarHBondContact O-CG 3.47Å; L315-K318 CarbonylContact O-C 3.5Å; L315-K318 WeakPolarHBondContact O-CA 3.33Å; L315-K318 WeakPolarHBondContact O-CB 3.36Å; L315-K318 PolarHBondContact O-N 2.97Å; K316-K318 PolarHBondContact O-N 3.45Å; K316-K318 VanDerWaalsContact O-N 3.1Å; K318-L320 VanDerWaalsContact C-N 3.26Å; K318-L320 HydrophobicContact CB-CD1 4.01Å; K318-L320 HydrophobicContact CB-CG 4.21Å; K318-L320 HydrophobicContact CD-CD1 4.4Å; K318-L320 PolarHBondContact O-N 3.3Å
319G71.9Confident74.7Confident39 Ų3983.5 Ų83.540%0.40249%0.493SS..THydrogen-bonded Turntrans65.529.6-172.400000112.9L315 K316 A327L315-G319 PolarHBondContact O-N 3.09Å; K316-G319 PolarHBondContact O-N 3.36Å; G319-A327 PolarHBondContact O-N 3.16Å
320L66Low72.4Confident51 Ų5187.9 Ų87.927%0.26752%0.516SS..BIsolated β-bridgetrans-113.4134178.3-65.1168.7000110.3L315 K316 K318 T325L315-L320 CarbonylContact C-O 3.56Å; L315-L320 HydrophobicContact CB-CB 4.25Å; L315-L320 HydrophobicContact CD2-CB 4.16Å; L315-L320 HydrophobicContact CD2-CD1 4.12Å; L315-L320 PolarHBondContact O-N 3.34Å; K316-L320 PolarHBondContact N-O 3.18Å; K318-L320 VanDerWaalsContact C-N 3.26Å; K318-L320 HydrophobicContact CB-CD1 4.01Å; K318-L320 HydrophobicContact CB-CG 4.21Å; K318-L320 HydrophobicContact CD-CD1 4.4Å; K318-L320 PolarHBondContact O-N 3.3Å; L320-T325 WeakPolarHBondContact CA-O 3.49Å
321N59.7Low70.4Confident64 Ų6493.9 Ų93.934%0.34255%0.547SS..  trans-64.8163.6166.1-71.7-44.8000110.8D323 G324 T325N321-D323 PolarHBondContact O-N 3.36Å; N321-D323 VanDerWaalsContact O-N 3.14Å; N321-G324 PolarHBondContact O-N 3.42Å; N321-T325 WeakPolarHBondContact CB-OG1 3.49Å; N321-T325 PolarHBondContact N-O 3.32Å; N321-T325 PolarHBondContact ND2-OG1 2.85Å; N321-T325 VanDerWaalsContact ND2-OG1 3.16Å
322P61.2Low68.2Low91 Ų9192.4 Ų92.459%0.59156%0.559SS**THydrogen-bonded Turntrans-51.6-34.8174.619.3-33.2000113.7G324P322-G324 PolarHBondContact O-N 3.34Å
323D65.2Low65.6Low143 Ų14392.5 Ų92.577%0.76558%0.58SS**THydrogen-bonded Turntrans-772.6178.7-51.5-54.2000114.4N321 T325N321-D323 PolarHBondContact O-N 3.36Å; N321-D323 VanDerWaalsContact O-N 3.14Å; D323-T325 VanDerWaalsContact C-N 3.25Å; D323-T325 PolarHBondContact O-N 2.86Å
324G61.2Low63.4Low44 Ų4499.7 Ų99.745%0.45460%0.602SS.*SBendtrans74.49.3-177.600000114.8N321 P322N321-G324 PolarHBondContact O-N 3.42Å; P322-G324 PolarHBondContact O-N 3.34Å
325T62.8Low61.5Low69 Ų69100 Ų10042%0.42362%0.616SS.*  trans-76.4144.7167.755.30000110.4L320 N321 D323 A327L320-T325 WeakPolarHBondContact CA-O 3.49Å; N321-T325 WeakPolarHBondContact CB-OG1 3.49Å; N321-T325 PolarHBondContact N-O 3.32Å; N321-T325 PolarHBondContact ND2-OG1 2.85Å; N321-T325 VanDerWaalsContact ND2-OG1 3.16Å; D323-T325 VanDerWaalsContact C-N 3.25Å; D323-T325 PolarHBondContact O-N 2.86Å; T325-A327 PolarHBondContact O-N 3.36Å
326P59.2Low59.5Low102 Ų102104 Ų10466%0.66265%0.646SS**BIsolated β-bridgetrans-63.2130172.427.1-33.5000110L328P326-L328 PolarHBondContact O-N 2.87Å; P326-L328 VanDerWaalsContact O-N 3.17Å
327A58.6Low57.4Low41 Ų41102.1 Ų102.134%0.33965%0.654SS.*  trans-72105.9171.600000108.3G319 T325 S329G319-A327 PolarHBondContact O-N 3.16Å; T325-A327 PolarHBondContact O-N 3.36Å; A327-S329 VanDerWaalsContact C-N 3.25Å; A327-S329 PolarHBondContact O-N 3.49Å
328L54.6Low55.7Low172 Ų172103.2 Ų103.290%0.90166%0.656SS**  trans-72.383.4174.4-173.268.1000108.8P326 T330P326-L328 PolarHBondContact O-N 2.87Å; P326-L328 VanDerWaalsContact O-N 3.17Å; L328-T330 PolarHBondContact O-N 3.32Å
329S54.6Low53.8Low95 Ų95105.3 Ų105.366%0.66467%0.665SS**  trans-64.1121.6178.352.80000110.5A327 L331A327-S329 VanDerWaalsContact C-N 3.25Å; A327-S329 PolarHBondContact O-N 3.49Å; S329-L331 PolarHBondContact O-N 2.9Å
330T45.3Very low52.5Low143 Ų143109.6 Ų109.688%0.87769%0.686SS**  trans-62.492.5-170.2-470000114L328L328-T330 PolarHBondContact O-N 3.32Å
331L49.4Very low51.4Low158 Ų158113 Ų11383%0.82771%0.714SS**  trans-134.6130.4156.8-84.297000109.3S329S329-L331 PolarHBondContact O-N 2.9Å
332G43.8Very low50.8Low71 Ų71115 Ų11573%0.73273%0.733SS**SBendtrans84.4104.5-179.200000113.3
333G36.9Very low50Low77 Ų77116.2 Ų116.279%0.79474%0.741SS**  trans-77124174.400000111.8
334F42.7Very low48.8Very low204 Ų204120.7 Ų120.790%0.89575%0.747SS**  trans-123.585165.5-93.4-85.6000109.7
335S49.9Very low47.8Very low105 Ų105127.4 Ų127.473%0.73477%0.767SS**  trans-65.7128.6167.5-58.90000109.3A337S335-A337 VanDerWaalsContact C-N 3.25Å; S335-A337 PolarHBondContact O-N 3.36Å
336P46.6Very low46.9Very low137 Ų137129.5 Ų129.589%0.8978%0.779SS**  trans-77.275.1-179.631.5-35.1000110.9
337A43.7Very low46.1Very low90 Ų90133.9 Ų133.974%0.74479%0.788SS**  trans-86.7122.7-178.100000112.7S335S335-A337 VanDerWaalsContact C-N 3.25Å; S335-A337 PolarHBondContact O-N 3.36Å
338S50.7Low45.2Very low113 Ų113136.1 Ų136.179%0.7981%0.806SS**  trans-13.9140.7160-54.10000119.8
339K46Very low44.7Very low203 Ų203136.5 Ų136.588%0.88380%0.803SS**  trans-18.7147.8158.3-47.5170.6-176.6175.90116.8
340P43.3Very low44.1Very low129 Ų129138.5 Ų138.584%0.83880%0.802SS**  trans-115.6159.5131.934.4-28.8000112.8
341S43.8Very low44.1Very low123 Ų123139 Ų13986%0.8679%0.792SS**  trans-97.5-178.3176.5-1640000112
342S47.6Very low44.2Very low106 Ų106136.4 Ų136.474%0.74179%0.787SS**  trans-51.4151.9-172.8-156.40000115.7
343P43Very low44.6Very low115 Ų115137.8 Ų137.875%0.74778%0.783SS**  trans-79.1137.4-179.5-11.228.5000114.9
344R41.6Very low45.2Very low238 Ų238141.2 Ų141.290%0.89878%0.782SS**  60.1110.7125.4-171.2-175.8-172.1176.22.7119.6
345E40.5Very low45.4Very low185 Ų185136 Ų13686%0.86477%0.771SS**  -144.1147.3125.2-119.6-172.1-158.900113.9
346V43.1Very low45.5Very low113 Ų113138.1 Ų138.169%0.68577%0.772SS**  trans5.9121.5173.5-136.30000123.1
347K41.5Very low45.3Very low194 Ų194138.3 Ų138.384%0.84377%0.766SS**  166.6153.3104.8-90.8-171.6177.6-176.40114.6
348A41.3Very low45.2Very low87 Ų87139.5 Ų139.572%0.71976%0.764SS**  trans60.4126.9170.600000117
349E42.8Very low44.8Very low180 Ų180142.8 Ų142.884%0.84176%0.764SS**  73.1126.961.2-69.5177.1178.200112.6
350E43.7Very low44.5Very low138 Ų138138.7 Ų138.765%0.64576%0.756SS**  cis-142.6165.514.2-71.1-15712000115.5
351K43.6Very low44.4Very low154 Ų154138.7 Ų138.767%0.6775%0.753SS**  trans46.2100141.3-66.8164.1-166.6153.50122.7
352S52.8Low44.4Very low102 Ų102142.4 Ų142.471%0.71375%0.754SS**  42.8162.4102.671.30000123
353P50.8Low44.1Very low101 Ų101146.8 Ų146.866%0.65676%0.759SS**  cis-147.4-160.9-35.739.9-18.6000115
354I50.1Low43.9Very low149 Ų149148.8 Ų148.876%0.76476%0.759SS**  trans76144.8159.1-67.4165.9000114.9
355S46.5Very low44.1Very low94 Ų94143.4 Ų143.466%0.65775%0.754SS**  cis-152.614824.2-2.40000115.4
356I53.1Low44.1Very low150 Ų150143.3 Ų143.377%0.76975%0.754SS**  49.2134117.4-55.4168.8000118.3
357N41.9Very low44Very low140 Ų140143.7 Ų143.775%0.74975%0.752SS**  cis-154.2175.135.9-142.6-24.5000115.8
358V42.2Very low44Very low116 Ų116143.3 Ų143.370%0.70375%0.746SS**  trans-139.2145.2178.5173.70000112.3T360V358-T360 HydrophobicContact CG1-CG2 4.41Å
359K41.5Very low44Very low182 Ų182145.7 Ų145.779%0.79174%0.742SS**  trans-172.9128153.8-96.3140.4-175-179.30108.5
360T40Very low43.9Very low116 Ų116145.7 Ų145.771%0.71274%0.742SS**  cis69.8143.647.472.60000114.6V358V358-T360 HydrophobicContact CG1-CG2 4.41Å
361V41.5Very low43.6Very low129 Ų129143.6 Ų143.678%0.78275%0.748SS**  cis-170.7145-15.9132.90000106.7
362K42.7Very low43.6Very low202 Ų202142.1 Ų142.188%0.87876%0.757SS**  trans164.3159.2155.8-98.5173.7178-1760111
363K41.8Very low42.8Very low197 Ų197147.1 Ų147.186%0.85777%0.766SS**  cis-167.7140.5-40.3-167.3179.3-179-1720109.3
364E38.5Very low42.7Very low157 Ų157147.9 Ų147.973%0.73477%0.774SS**  trans-65.9162.7173.8-76.1-68.9145.400114.4
365P47Very low42.5Very low125 Ų125146.7 Ų146.781%0.81278%0.776SS**  -148.7176.887.640.6-21.5000118.5
366E39Very low42.3Very low184 Ų184152.3 Ų152.386%0.8678%0.784SS**  trans-92.3157.6-161.6-55.2162.689.700118.5
367D41.6Very low41.8Very low121 Ų121150.9 Ų150.965%0.64778%0.778SS**  trans-169.8162.4138.7-124.8-27000110.1
368R41.7Very low41.8Very low185 Ų185147 Ų14770%0.69877%0.772SS**  cis-148166.8-4.2-172.1151.3-76.2-135.32.2111.9
369Q42Very low41.9Very low137 Ų137148.6 Ų148.664%0.6478%0.781SS**  trans-38162.1163.4-61.3156.4-3.900117
370Q40.7Very low41.9Very low181 Ų181151 Ų15185%0.84679%0.785SS**  cis-160.8179.8-6.8-114.8167.5-0.300111.2
371A36.6Very low42.1Very low94 Ų94154 Ų15478%0.77779%0.788SS**  trans-104.4161.3-16800000116.3
372S43.6Very low42.1Very low122 Ų122153.8 Ų153.885%0.85378%0.783SS**  trans-147.6164149.668.80000110.8
373K36.4Very low41.9Very low207 Ų207149.2 Ų149.290%0.978%0.776SS**  trans-137.8144.7-173-63.8175.3-178.9171.50111.8
374S49.2Very low42Very low118 Ų118149.8 Ų149.883%0.82578%0.779SS**  trans-151.1150.6148.765.80000111.5
375P44.6Very low42Very low123 Ų123153.5 Ų153.580%0.79979%0.786SS**  trans-121.3-164.6-177.943.5-32.9000113.9
376Y43.4Very low41.7Very low213 Ų213152.4 Ų152.484%0.83578%0.781SS**  trans85.5139.4169.7-134.3-133.7000114.5
377N42.5Very low41.9Very low119 Ų119155.6 Ų155.664%0.63679%0.785SS**  cis-157.1162.3-1.3-160.38.3000113.3
378G41Very low41.7Very low60 Ų60157.6 Ų157.662%0.61980%0.796SS**  trans72.4146155.500000117.9
379V44.1Very low41.7Very low149 Ų149154 Ų15490%0.90380%0.8SS**  cis-139.1145.82.2172.20000109.1
380R42.4Very low41.7Very low232 Ų232158.6 Ų158.688%0.87581%0.811SS**  trans-95.3146.3178.4-60.9175.8176174.8-2.3112.4
381K43.6Very low41.8Very low179 Ų179155.8 Ų155.878%0.77881%0.812SS**  138.5149.7126.8-86.2-169.9157.1-128.80112.6
382D40.9Very low42Very low125 Ų125156.1 Ų156.167%0.66881%0.814SS**  cis-144.4161.8-4.5-133.7-25.7000110.9
383S40.1Very low41.9Very low105 Ų105155.2 Ų155.273%0.73481%0.808SS**  trans-100146.6-179.7-68.20000113.3
384K42.6Very low42.1Very low210 Ų210156.9 Ų156.991%0.91381%0.808SS**  trans-162.7116.9139-108.3148.9-169.6177.30116.3
385R40.2Very low41.8Very low235 Ų235156 Ų15689%0.88780%0.803SS**  trans-3.1128159.2-69.6174.9169.4173.6-4.6120.6
386S39.9Very low41.6Very low102 Ų102162 Ų16271%0.71381%0.809SS**  trans-15.6148.613751.60000120.2
387R43.2Very low41.4Very low250 Ų250156.9 Ų156.994%0.94381%0.805SS**  -166.4165.9108.6-102.9168.9-179.6175.5-1.1112.3
388N37.4Very low41.3Very low163 Ų163163.1 Ų163.187%0.87282%0.819SS**  trans-126.7121.8-164.5-148.623.3000111.1
389S42.2Very low41.2Very low111 Ų111166.7 Ų166.778%0.77683%0.829SS**  trans-172.499.5165.6510000109.1
390R40.3Very low41.1Very low232 Ų232171.6 Ų171.688%0.87583%0.831SS**  59.1119.383.7-81.9-169.7168.7176.6-2.6115.5
391S44.1Very low40.9Very low123 Ų123166 Ų16686%0.8683%0.828SS**  trans60.3145.2161.143.70000117.3
392A40.5Very low40.8Very low100 Ų100169.5 Ų169.583%0.82684%0.836SS**  cis-143.6-17826.700000114.2
393S41.6Very low40.9Very low103 Ų103168.6 Ų168.672%0.7284%0.84SS**  trans-79.9153-179.856.10000113.6
394R40Very low40.9Very low242 Ų242175.1 Ų175.191%0.91385%0.848SS**  -169.6145114.5-101.7157.9-178176.30.3113.7
395S43.2Very low41Very low101 Ų101170.1 Ų170.171%0.70684%0.84SS**  trans-70.1153.5177.148.60000113.3
396R40.7Very low41Very low247 Ų247167.7 Ų167.793%0.93284%0.838SS**  -169.7142.2111.5-101.3158.9-180171.2-0.3113
397S39.2Very low41.2Very low107 Ų107168.6 Ų168.675%0.74884%0.84SS**  trans-79.9155.4173.749.90000111.8
398R41.2Very low41.2Very low250 Ų250162 Ų16294%0.94383%0.829SS**  trans-162.9139.2132.3-108.1155.3-172.1172.91.6112.3
399T38.4Very low41.2Very low134 Ų134164.7 Ų164.782%0.82283%0.827SS**  trans-79.3147.3175.145.60000111
400R40.5Very low41.3Very low252 Ų252171.1 Ų171.195%0.95183%0.834SS**  trans-158.3125.9141.9-117.7168.8-175.9176.30.9111.5
401S39.4Very low41.4Very low115 Ų115167.3 Ų167.380%0.80483%0.826SS**  trans-88.9148.4173.343.80000110.6
402R40.7Very low41.4Very low253 Ų253173 Ų17396%0.95583%0.83SS**  trans-154.1147.5150.1-118.8169.6-175.7169.20.7110.7
403S42.5Very low41.5Very low105 Ų105174.2 Ų174.273%0.73482%0.823SS**  trans-115143.9-167.946.50000111.6
404R41.3Very low41.2Very low243 Ų243176.3 Ų176.392%0.91783%0.826SS**  trans154.8144.2163-91.1157.9-173.3-164.61.2106.9
405S44.2Very low41.2Very low105 Ų105175.6 Ų175.673%0.73482%0.823SS**  cis-176.8162.3-21.240.30000107.8
406H40.5Very low40.9Very low183 Ų183181.9 Ų181.985%0.84783%0.831SS**  trans103.4120162.5-139.578.7000116.7
407T44.9Very low40.8Very low122 Ų122175.9 Ų175.975%0.74883%0.827SS**  trans-111.1152.3167.559.70000107.9
408P42.8Very low40.8Very low110 Ų110182.4 Ų182.471%0.71484%0.836SS**  -146140.1107.534.1-18.2000116.3
409R37.7Very low40.8Very low220 Ų220175.8 Ų175.883%0.8383%0.827SS**  trans12.8124.7146.7-59.6177.6174.2-160.9-2.4119.1
410R42.5Very low40.9Very low247 Ų247172.3 Ų172.393%0.93282%0.819SS**  trans-133.4109.7137.1-76.8-167172.7-179.7-1.4111
411H43.5Very low41Very low152 Ų152167 Ų16770%0.70481%0.814SS**  trans-75.9138.3163.7-86-106.8000109.4N413H411-N413 PolarHBondContact O-N 3.37Å
412Y44.4Very low41Very low242 Ų242172 Ų17295%0.94982%0.817SS**  trans-71.7111.7158.9-86.7-95.9000108.3
413N41.9Very low41.1Very low125 Ų125165.3 Ų165.367%0.66881%0.809SS**  trans-95128.1-168.2-115.9-22.1000111.7H411 R415H411-N413 PolarHBondContact O-N 3.37Å; N413-R415 PolarHBondContact O-N 3.27Å
414N36.5Very low40.8Very low147 Ų147165.1 Ų165.179%0.78681%0.807SS**  trans-62122.1163.7-177.7-0.2000109.1
415R39.8Very low40.7Very low228 Ų228165.3 Ų165.386%0.8681%0.808SS**  trans-133.487.7176.4-87.5-164.1168.8-163.9-2112.7N413N413-R415 PolarHBondContact O-N 3.27Å
416R36.1Very low40.3Very low232 Ų232165.5 Ų165.588%0.87581%0.81SS**  trans-104.795.6168.6-178.8-173.2-169.8-177.64.4109.1
417S37.7Very low40.3Very low121 Ų121168.8 Ų168.885%0.84682%0.815SS**  trans-177.6112.7168.2-85.30000114.1
418R39.4Very low39.9Very low245 Ų245168.2 Ų168.293%0.92582%0.816SS**  trans165.7145.1148.9-99.7-177.4170.3-176.3-4.5108.6
419S42.1Very low39.6Very low110 Ų110174.8 Ų174.877%0.76983%0.826SS**  cis-171.9131.7-28.239.10000109.3
420G40.4Very low39.5Very low62 Ų62169 Ų16964%0.63982%0.819SS**  trans153.4101.5174.100000109.3
421T42.1Very low39.1Very low140 Ų140168.5 Ų168.586%0.85982%0.817SS**  53120.87569.40000112.3
422Y40.7Very low38.8Very low220 Ų220165.7 Ų165.786%0.86382%0.815SS**  cis-144.8156.137.554.8-89.3000116.2
423S41.1Very low38.5Very low112 Ų112162 Ų16278%0.78381%0.806SS**  trans54.5120.4147.1-143.80000122.1
424S37.3Very low38.5Very low101 Ų101160.2 Ų160.271%0.70680%0.803SS**  trans-86.4156.7162.656.20000112.2
425R38.4Very low38.7Very low247 Ų247160.6 Ų160.693%0.93280%0.8SS**  -164.1145.6121.5-110.5165176.7169-1.1112.7
426S36.8Very low39Very low109 Ų109155.6 Ų155.676%0.76280%0.8SS**  trans-97.9149.1178.444.10000111.3
427R39.5Very low39.7Very low253 Ų253149.6 Ų149.696%0.95579%0.791SS**  trans-169.1142146.3-106.6154.8-173.6-174.70.4110.8
428S36.4Very low40.1Very low110 Ų110154 Ų15477%0.76979%0.789SS**  trans-96.9137.9173.835.20000110.5
429R37.2Very low40.4Very low248 Ų248151.3 Ų151.394%0.93678%0.779SS**  trans-169.2145.5144.8-108.4160-176.5179.8-0.3113.2
430S35.5Very low40.6Very low97 Ų97153.2 Ų153.268%0.67878%0.775SS**  trans-62170.1174.252.50000116.1
431R35.1Very low40.7Very low237 Ų237156.6 Ų156.689%0.89477%0.774SS**  trans82.2152.1167.3-62.1179176.5178.7-3.5115.5
432S36Very low40.8Very low93 Ų93156.6 Ų156.665%0.6577%0.769SS**  cis-178.4170.8-29.751.50000108.8
433H38.2Very low40.8Very low166 Ų166155.2 Ų155.277%0.76977%0.77SS**  trans69.4126.2-177.4-81.8-93.1000114.1
434S43.1Very low40.6Very low86 Ų86153.6 Ų153.660%0.60177%0.771SS**  78.4147.574.394.20000112
435E40.3Very low40.9Very low156 Ų156154.5 Ų154.573%0.72978%0.777SS**  cis-163.2148.721.9-153.6156.4123.800113.5
436S46.5Very low41.2Very low122 Ų122148.4 Ų148.485%0.85377%0.77SS**  trans175.1131.9131.5-82.20000113
437P50.6Low41.2Very low106 Ų106151.2 Ų151.269%0.68877%0.771SS**  trans-127.6-170.2-176.443.3-30.2000114.4
438R44.6Very low41.6Very low215 Ų215145.5 Ų145.581%0.81176%0.758SS**  trans139150.8162.7-77.6156.2-172-118.6-0.7109
439R46.1Very low41.8Very low188 Ų188149.3 Ų149.371%0.70976%0.761SS**  cis-169.4165.8-4.7-113-167.8169.8-179.4-1.2107.8
440H46.2Very low42Very low150 Ų150142.2 Ų142.269%0.69476%0.755SS**  cis-166.3138.6-13.8-131.810.7000110.3
441H43Very low42.4Very low133 Ų133145.7 Ų145.762%0.61676%0.758SS**  trans61.4162.6156.5-68.9-63.4000120.6
442N45.1Very low42.8Very low140 Ų140141.7 Ų141.775%0.74975%0.749SS**  cis-146.7167.60.4-135.70.6000115.3
443H39.4Very low43.2Very low190 Ų190142.7 Ų142.788%0.8875%0.751SS**  trans-81.7160.9165.7-85.2-98.9000112.7
444G37.7Very low43.4Very low78 Ų78144.8 Ų144.880%0.80475%0.753SS**  trans-176.892.8167.600000115.8
445S42.3Very low43.5Very low120 Ų120147.3 Ų147.384%0.83976%0.759SS**  trans-98143.9154.1-58.80000107.3
446P45.6Very low43.5Very low119 Ų119146 Ų14677%0.77376%0.757SS**  -153.815483.139.1-19.6000117.9
447H37.3Very low43.4Very low169 Ų169148.5 Ų148.578%0.78276%0.76SS**  37.1121.3127.9-139.7-91.9000121
448L46.8Very low42.7Very low133 Ų133153 Ų15370%0.69677%0.769SS**  169.4135.8121.5-88.6164.4000114.9
449K40.3Very low42.5Very low190 Ų190147.8 Ų147.883%0.82677%0.765SS**  trans21.4141.1146.5-58.7172.6-171.8175.30120.2
450A41.3Very low42.2Very low98 Ų98143.4 Ų143.481%0.8176%0.764SS**  cis-167.3-150-4.600000107.6
451K44.1Very low41.9Very low171 Ų171142.2 Ų142.274%0.74376%0.762SS**  cis-167.11314.6-167-156-176.9-162.20110.8
452H44.9Very low41.6Very low152 Ų152145.5 Ų145.570%0.70477%0.769SS**  trans60.1157170.8-68.5-57.5000118.2
453T43.9Very low41.4Very low114 Ų114147 Ų14770%0.69977%0.771SS**  cis-146.5138-6.73.30000105.9
454R41.5Very low41.2Very low211 Ų211141.4 Ų141.480%0.79677%0.766SS**  50.1137.180.7-98.8-174.3177.3173.32.5114.6
455D45.2Very low41.6Very low139 Ų139147.2 Ų147.274%0.74377%0.771SS**  cis-134.416926.4-84.1-62.9000117.3
456D40.2Very low41.5Very low129 Ų129150.7 Ų150.769%0.6977%0.771SS**  trans-82.4165.5174.9-71.5-91.9000113.9
457L44.5Very low41.4Very low174 Ų174155.6 Ų155.691%0.91177%0.774SS**  175165.3107.9-92171.9000115.7
458K37.3Very low41.7Very low201 Ų201155.2 Ų155.287%0.87477%0.771SS**  trans-121.5142.3-177.9-56.9164.9-178.8165.80111.5
459S40Very low41.4Very low105 Ų105158.2 Ų158.273%0.73478%0.778SS**  trans176.3135.3147.6-170.60000107.6
460S39.9Very low41.7Very low96 Ų96154.4 Ų154.467%0.67178%0.775SS**  cis9813529.5100.50000115.9
461N38.8Very low41.5Very low124 Ų124161.6 Ų161.666%0.66378%0.781SS**  trans69.3110.7165.8-79.8-39.9000122.7
462R37.7Very low41.6Very low202 Ų202159.5 Ų159.576%0.76279%0.788SS**  79.4137.8117.6-71.1176.2-165.8-150.4-0.7123.6
463H40.7Very low41.2Very low171 Ų171164 Ų16479%0.79280%0.799SS**  trans82103140.9-76.722000118.9
464G36Very low41.1Very low74 Ų74164.5 Ų164.576%0.76381%0.807SS**  trans-86.6-159.9174.600000115.7
465H45Very low41Very low200 Ų200163.6 Ų163.693%0.92681%0.812SS**  trans-136.2157.5-169.1-110.4-106.9000114.1
466K40.1Very low40.8Very low193 Ų193162.3 Ų162.384%0.83981%0.814SS**  trans-104.7151.5-175.1-55.5167.5-179.6170.50111.6
467R43.4Very low40.9Very low222 Ų222165.6 Ų165.684%0.83882%0.822SS**  trans155.6151.6148.7-90.3160.7179.3-154.82.1110.2
468K43.6Very low40.8Very low161 Ų161161.9 Ų161.970%0.781%0.81SS**  cis-168.6145.1-11.4-131.3175.8-174.1-177.80110.2
469K40.3Very low41Very low196 Ų196163.2 Ų163.285%0.85281%0.81SS**  trans59.5156.1154.6-102.1-177.8174.3-174.10117
470S46.9Very low41.2Very low110 Ų110165 Ų16577%0.76981%0.811SS**  cis-138.4173.418.1-75.80000113.6
471R37.7Very low41.5Very low249 Ų249169 Ų16994%0.9482%0.819SS**  trans-116.4149.3173.7-70.9171.5166163.2-7.5110.7
472S45.2Very low41.8Very low126 Ų126167 Ų16788%0.88182%0.815SS**  trans-158.3153.7141.947.90000111.3
473R36.4Very low42.1Very low247 Ų247164.7 Ų164.793%0.93282%0.818SS**  trans-126.8144.3172.8-86175.8163.5166.9-8.1107.5
474S42.6Very low42.2Very low125 Ų125160.7 Ų160.787%0.87481%0.814SS**  trans-160.8151.115240.60000110.6
475Q38.7Very low42.6Very low192 Ų192160.6 Ų160.690%0.89781%0.806SS**  trans-107.4151.1176.1-57.6160.8-83.900109.4
476S42.2Very low42.5Very low111 Ų111160.5 Ų160.578%0.77680%0.803SS**  trans-170.8131.8138.443.20000113.3
477K41.1Very low42.8Very low199 Ų199159.4 Ų159.487%0.86580%0.798SS**  23.2146.3125.3-60.5179.5-178.6-179.50118.7
478S42.8Very low42.9Very low95 Ų95155.9 Ų155.966%0.66479%0.791SS**  cis177.2177.5-448.70000109.3
479R42.4Very low42.7Very low229 Ų229158.2 Ų158.286%0.86480%0.795SS**  trans88.9154.1172.3-58.1172.9173.2166.5-4.3117.1
480D44.5Very low43Very low142 Ų142156.5 Ų156.576%0.75979%0.79SS**  cis173.3115.3-47.3-96.6-40.2000108.7
481H45.1Very low42.8Very low180 Ų180159.4 Ų159.483%0.83379%0.791SS**  trans-172.3126.3154-106.354.1000106.1
482S45.8Very low43Very low83 Ų83159.3 Ų159.358%0.5879%0.791SS**  cis66.9129.647.680.30000113.1
483D44.2Very low42.7Very low154 Ų154156.4 Ų156.482%0.82478%0.781SS**  cis-158.3175.75-140.6-44.3000113.8
484A43.1Very low42.8Very low87 Ų87153.6 Ų153.672%0.71978%0.778SS**  trans75.8152.8154.800000121.5
485A43.6Very low42.7Very low71 Ų71156.8 Ų156.859%0.58778%0.779SS**  cis-173.8141.3-34.100000111.3
486K43.8Very low42.9Very low198 Ų198159 Ų15986%0.86178%0.779SS**  trans65.6148.3164.5-56.9143.8-174.9170.70114
487K44.9Very low42.8Very low171 Ų171160.8 Ų160.874%0.74378%0.78SS**  cis-152.5175-2.6-120.8172.6166.7-149.40105.6
488H46.2Very low42.6Very low148 Ų148163.3 Ų163.369%0.68578%0.784SS**  cis-137-117.510.5-143.8-59.8000111
489R40.2Very low42.5Very low210 Ų210168.8 Ų168.879%0.79279%0.79SS**  trans-165.9175.1178.3-99-171.1172.2-173.80.2111.5
490H45.9Very low42.4Very low160 Ų160165 Ų16574%0.74178%0.782SS**  trans83.8130.8166.8-60.4-85.3000115.2
491E43Very low42Very low170 Ų170168.7 Ų168.779%0.79479%0.785SS**  cis-133.8145.91.6-60.5-169.9103.700110.5
492R41.2Very low41.6Very low247 Ų247165.7 Ų165.793%0.93279%0.785SS**  29.5125.292.4-66.8-176.8175.1-176.1-2114.7
493G38.3Very low41.3Very low66 Ų66172 Ų17268%0.6880%0.796SS**  cis179.2-163.7-0.900000112.3
494H40.2Very low41.1Very low188 Ų188169.9 Ų169.987%0.8779%0.793SS**  trans72.277.8177.2-59.7-69.2000119
495H40.1Very low41.1Very low192 Ų192175.8 Ų175.889%0.88980%0.803SS**  trans-74.5142.8133.1-95.1-81000109.5
496R41.6Very low40.7Very low237 Ų237181 Ų18189%0.89482%0.815SS**  trans-153.9131.9155.4-128.6179.8-172.7177.72.8110.4
497D41.1Very low40.5Very low149 Ų149182.5 Ų182.580%0.79782%0.816SS**  trans-70.9151.1-173-52.8-95000113.5
498R37.7Very low40.1Very low253 Ų253178.3 Ų178.396%0.95581%0.808SS**  trans-150.884.5152.7-117173-168.4-179.53.9111.9
499R40.4Very low40Very low210 Ų210179.5 Ų179.579%0.79281%0.813SS**  trans-71.8157.9159.1-114.1178178.4-142.714.2110.3
500E38.8Very low40.2Very low150 Ų150179.8 Ų179.870%0.70182%0.82SS**  trans52.8103.7151.2-65.5165.7-140.800118.7
501R37.1Very low39.7Very low218 Ų218177.2 Ų177.282%0.82382%0.82SS**  -153.689.2129.1-127.9175.1-168.6176.14.2114.1
502S36.5Very low40Very low118 Ų118179.2 Ų179.283%0.82583%0.826SS**  trans-75.5127.5154.8-53.40000108.8
503R40.3Very low40Very low215 Ų215175 Ų17581%0.81182%0.817SS**  trans-160.5130.3159-110159.9-152.2-156.11.9110.6
504S38.4Very low40.3Very low109 Ų109181 Ų18176%0.76283%0.827SS**  trans-73.2155.6175.9440000111.8
505F44.5Very low40.2Very low212 Ų212175.7 Ų175.793%0.9382%0.823SS**  trans-137.7126.1152.8-107.5-83.2000109.5
506E35.2Very low40.3Very low179 Ų179170 Ų17084%0.83682%0.816SS**  trans-140.6167.3171.2-159.5-173.7-15500106.5
507R38.2Very low40.4Very low231 Ų231164.1 Ų164.187%0.87281%0.811SS**  trans79.1152.6-171.5-56.1178.7171.7-164.7-3.5116.1
508S38.1Very low40.6Very low83 Ų83168.9 Ų168.958%0.5882%0.818SS**  cis-172.8165.5-48.146.60000110.1
509H42.3Very low41.2Very low173 Ų173162.4 Ų162.480%0.80181%0.812SS**  trans59119.2165.9-46.6-71.4000119.7
510K44.7Very low41.3Very low215 Ų215155.2 Ų155.294%0.93580%0.803SS**  -157.9141.5102.6-122.3164.5-176.4166.60112.5
511S37Very low41.9Very low106 Ų106157.5 Ų157.574%0.74181%0.814SS**  trans-110.4156.2170.351.10000110.1
512K48Very low42.2Very low212 Ų212150.1 Ų150.192%0.92281%0.805SS**  trans-155.3160.4158.3-116.6-179.2179.5-170.70110.7
513H42.1Very low42.9Very low159 Ų159156.1 Ų156.174%0.73681%0.81SS**  trans-112.5179.8-162.2-91.4-99.9000113.9
514H43.2Very low43.4Very low191 Ų191154.8 Ų154.888%0.88481%0.813SS**  trans87.1139164-45.5-78.4000116.7
515G39.2Very low43.8Very low77 Ų77160.4 Ų160.479%0.79482%0.817SS**  cis167.1141.8-12.500000115.9
516G42.3Very low44.2Very low73 Ų73165.6 Ų165.675%0.75383%0.83SS**  trans83.2161.7169.400000116.6
517S42.5Very low44.7Very low113 Ų113165 Ų16579%0.7983%0.83SS**  cis-170.7139.8-12.8-106.70000112.2
518R45.9Very low45Very low249 Ų249161.5 Ų161.594%0.9483%0.828SS**  trans63.8163.4164.8-65.4173173.3177.5-4115.5
519S49.3Very low45.4Very low118 Ų118165.8 Ų165.883%0.82584%0.842SS**  cis-172.7154.7-26.9-178.80000106.5
520G44Very low45.6Very low59 Ų59165.4 Ų165.461%0.60884%0.844SS**  cis164.3-178.9-1.600000110.8
521H50Low45.6Very low198 Ų198162.3 Ų162.392%0.91784%0.838SS**  trans67148.3-177.2-68.842000116.5
522G45.3Very low46.2Very low63 Ų63166.1 Ų166.165%0.64985%0.845SS**  cis158.6151.9-1400000114.6
523R49.7Very low46.1Very low243 Ų243162.8 Ų162.892%0.91784%0.839SS**  trans68.3150.4167.1-64.4-179.7-176.1-167.61.4116.9
524H51.7Low46.4Very low188 Ų188163.1 Ų163.187%0.8785%0.847SS**  cis-156.3177.9-30.2-143.333.6000110.6
525R47.2Very low46.6Very low226 Ų226160.8 Ų160.885%0.85384%0.844SS**  trans-79.7150.9179.5-70.9178.2173.6163.7-4.4113.6
526R52.5Low47.3Very low322 Ų322168.4 Ų168.4100%1.21585%0.849SS**  -128.40113.2-100.4-170.7174.9-165.9-1.1109.2

Retrieved 526 of 526 residues in 122.7 ms (Link to these results)