A0A5K4F6N2_SCHMA Loading...

SAM_MT_RSMB_NOP domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6N2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 323 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
1M37.1Very low36.5Very low230 Ų230158.1 Ų158.1100%1.13386%0.857SS**  096.50-87.9162.4149.300108.1
2T37.3Very low36.7Very low123 Ų123165.4 Ų165.476%0.75586%0.863SS**  67.8122.8104.1-12.30000111
3M35.6Very low37Very low176 Ų176168.5 Ų168.587%0.86787%0.865SS**  cis-164.214412.7-138.6177.2-160.400110.4
4V34.3Very low37.2Very low125 Ų125173.9 Ų173.976%0.75887%0.87SS**  trans-42.6139.9165.6175.10000114.7
5K40.1Very low37.4Very low217 Ų217174.1 Ų174.194%0.94387%0.873SS**  trans-132.6111.3148.4-86.9-172.8176.6177.20110.3
6S31.7Very low37.8Very low110 Ų110169.3 Ų169.377%0.76987%0.869SS**  trans-87.7141.2171.6580000110
7A40.5Very low37.8Very low96 Ų96169.5 Ų169.579%0.79387%0.865SS**  trans-153.992162.100000110.5
8V36.5Very low37.9Very low130 Ų130169.7 Ų169.779%0.78886%0.862SS**  trans37.497.3138.2-168.60000117.7K10V8-K10 HydrophobicContact CG1-CG 4.44Å
9R33.5Very low38.2Very low257 Ų257169.6 Ų169.697%0.9786%0.858SS**  trans-80.9107.4157.8-99.4178.8168.6172.1-2.7109.6
10K42.7Very low38.4Very low198 Ų198168.1 Ų168.186%0.86185%0.852SS**  trans-79.1117.7161.4-85.5-177.2174.9179.60109V8 R12V8-K10 HydrophobicContact CG1-CG 4.44Å; K10-R12 PolarHBondContact O-N 2.9Å
11G32.3Very low38.5Very low77 Ų77165.4 Ų165.479%0.79485%0.846SS**  trans-67.5122178.200000112.3K13G11-K13 PolarHBondContact O-N 2.9Å
12R38.3Very low38.7Very low246 Ų246163.8 Ų163.893%0.92883%0.833SS**  trans-80107.1162.9-108.5175.9170.8165.7-3.1107.8K10 R14K10-R12 PolarHBondContact O-N 2.9Å; R12-R14 PolarHBondContact O-N 3.17Å
13K41.4Very low38.7Very low205 Ų205165.2 Ų165.289%0.89183%0.834SS**PPolyproline II helixtrans-58.1117.2166.1-76.5-178.6175.5179.90108G11 L15G11-K13 PolarHBondContact O-N 2.9Å; K13-L15 PolarHBondContact O-N 3.33Å
14R39.5Very low38.7Very low245 Ų245166.3 Ų166.393%0.92583%0.834SS**PPolyproline II helixtrans-69.7117.5167.4-75.7-179166-170.7-4.9107.1R12 A16R12-R14 PolarHBondContact O-N 3.17Å; R14-A16 PolarHBondContact O-N 3.46Å
15L39.8Very low38.6Very low176 Ų176167.8 Ų167.892%0.92184%0.838SS**PPolyproline II helixtrans-58.8125.9165.8-79.3154.4000107.7K13 H17K13-L15 PolarHBondContact O-N 3.33Å; L15-H17 PolarHBondContact O-N 2.97Å
16A44.2Very low38.1Very low98 Ų98160.8 Ų160.881%0.8183%0.827SS**PPolyproline II helixtrans-63.4130.4177.500000109R14 Q18R14-A16 PolarHBondContact O-N 3.46Å; A16-Q18 PolarHBondContact O-N 3.44Å
17H38.3Very low38Very low173 Ų173160.7 Ų160.780%0.80182%0.822SS**PPolyproline II helixtrans-60.1121176-153-56.8000108.4L15L15-H17 PolarHBondContact O-N 2.97Å
18Q39.6Very low37.5Very low173 Ų173162 Ų16281%0.80882%0.819SS**PPolyproline II helixtrans-68.8130.7168.9-160.6165.5-2.100107.2A16A16-Q18 PolarHBondContact O-N 3.44Å
19E43.2Very low37.2Very low168 Ų168164.4 Ų164.479%0.78582%0.82SS**PPolyproline II helixtrans-69.6136.8176.5-69.1-172.4163.900109.9
20D42.8Very low37.1Very low138 Ų138158.8 Ų158.874%0.73881%0.808SS**PPolyproline II helixtrans-60.2137.6175.5-71.5-33.9000110.4K22D20-K22 PolarHBondContact O-N 3.43Å
21P39.2Very low36.7Very low113 Ų113158.9 Ų158.973%0.73480%0.803SS**PPolyproline II helixtrans-61.9123.5178.523.9-31.4000110.5I23P21-I23 PolarHBondContact O-N 3.35Å
22K42.3Very low37.2Very low195 Ų195163.2 Ų163.285%0.84880%0.802SS**  trans-65.996.5174.1-66.6179.2-177.4173.30109.7D20 K24D20-K22 PolarHBondContact O-N 3.43Å; K22-K24 PolarHBondContact O-N 3.43Å
23I37.8Very low37.6Very low153 Ų153160.9 Ų160.979%0.78580%0.799SS**  trans-69.6114168.8-60.7174.5000107.3P21 D25P21-I23 PolarHBondContact O-N 3.35Å; I23-D25 PolarHBondContact O-N 3.46Å
24K34.8Very low38.2Very low199 Ų199154.4 Ų154.487%0.86577%0.774SS**  trans-65.4125.5171.4-75.4179.7175.8177.20109K22 G26K22-K24 PolarHBondContact O-N 3.43Å; K24-G26 PolarHBondContact O-N 3.07Å
25D31.2Very low39.1Very low157 Ų157146.3 Ų146.384%0.8475%0.752SS**  trans-59.290.3173.1-76.6-49.1000111.6I23I23-D25 PolarHBondContact O-N 3.46Å
26G31.1Very low39.8Very low70 Ų70142.3 Ų142.372%0.72274%0.739SS**  trans-102.574.816400000109.7K24 V28K24-G26 PolarHBondContact O-N 3.07Å; G26-V28 PolarHBondContact O-N 2.76Å; G26-V28 VanDerWaalsContact O-N 3.08Å
27V29Very low40.2Very low107 Ų107147 Ų14765%0.64874%0.735SS**  trans-68.4101.5175.8178.40000109.5K29V27-K29 HydrophobicContact CG1-CD 4.47Å; V27-K29 HydrophobicContact CG1-CG 3.97Å
28V29.5Very low40.9Very low123 Ų123142.7 Ų142.775%0.74572%0.716SS**  trans-112.495.3156-177.50000107.9G26 L30G26-V28 PolarHBondContact O-N 2.76Å; G26-V28 VanDerWaalsContact O-N 3.08Å; V28-L30 HydrophobicContact CG1-CD1 4.14Å; V28-L30 PolarHBondContact O-N 2.78Å; V28-L30 VanDerWaalsContact O-N 3.14Å
29K30Very low41.9Very low182 Ų182139.1 Ų139.179%0.79170%0.697SS**  trans-72.894170.6-78.3176.5178.6170.70109.4V27V27-K29 HydrophobicContact CG1-CD 4.47Å; V27-K29 HydrophobicContact CG1-CG 3.97Å
30L32.2Very low42.7Very low138 Ų138137.1 Ų137.172%0.72369%0.688SS**  trans-102.383.7158.1-91.7152000108.6V28 E32V28-L30 HydrophobicContact CG1-CD1 4.14Å; V28-L30 PolarHBondContact O-N 2.78Å; V28-L30 VanDerWaalsContact O-N 3.14Å; L30-E32 PolarHBondContact O-N 3.33Å
31R34.6Very low43.4Very low201 Ų201139.6 Ų139.676%0.75869%0.687SS**  trans-80.687.9164.4-89.2-175.1169.7-179.5-3.3107.9K33R31-K33 PolarHBondContact O-N 2.9Å
32E42.1Very low44.2Very low167 Ų167136.7 Ų136.778%0.7867%0.665SS**  trans-76.5110.1164.7-72.6-166.9159.500109.3L30 L34L30-E32 PolarHBondContact O-N 3.33Å; E32-L34 PolarHBondContact O-N 3.31Å
33K46.1Very low45Very low197 Ų197133 Ų13386%0.85765%0.649SS**PPolyproline II helixtrans-68.5122.2167.2-75.8178.9176.61760107.7R31 T35R31-K33 PolarHBondContact O-N 2.9Å; K33-T35 PolarHBondContact O-N 3.44Å; K33-T35 VanDerWaalsContact O-N 3.16Å
34L54.6Low45.9Very low69 Ų69133.4 Ų133.436%0.36165%0.645SS.*PPolyproline II helixtrans-49.9122.5172.6-73.4163.8000110.4E32 Q38 K39 L42E32-L34 PolarHBondContact O-N 3.31Å; L34-Q38 HydrophobicContact CB-CB 4.34Å; L34-Q38 HydrophobicContact CD2-CB 3.79Å; L34-Q38 HydrophobicContact CD2-CG 4.3Å; L34-K39 HydrophobicContact CB-CG 4.25Å; L34-L42 HydrophobicContact CD1-CD1 4.32Å
35T58.4Low46.9Very low76 Ų76132.9 Ų132.947%0.46664%0.637SS.*PPolyproline II helixtrans-60.3154.3174.958.80000110.5K33 R37 Q38 K39K33-T35 PolarHBondContact O-N 3.44Å; K33-T35 VanDerWaalsContact O-N 3.16Å; T35-R37 PolarHBondContact O-N 2.94Å; T35-R37 VanDerWaalsContact O-N 3.12Å; T35-Q38 PolarHBondContact O-N 3.22Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.49Å; T35-Q38 PolarHBondContact OG1-N 3.42Å; T35-Q38 PolarHBondContact OG1-OE1 2.89Å; T35-K39 PolarHBondContact O-N 3.37Å
36S54Low47.9Very low92 Ų92128.1 Ų128.164%0.64361%0.61SS**Hα-helixtrans-53.3-33.3175.1530000112.5K39 Q40S36-K39 PolarHBondContact O-N 2.99Å; S36-Q40 WeakPolarHBondContact O-CB 3.4Å; S36-Q40 WeakPolarHBondContact O-CG 3.29Å; S36-Q40 PolarHBondContact O-N 3.02Å
37R52.8Low48.5Very low196 Ų196129.1 Ų129.174%0.7460%0.598SS**Hα-helixtrans-67.2-42.1173.9-77.1-174.9171.4-174.6-1.5113.2T35 Q40 R41T35-R37 PolarHBondContact O-N 2.94Å; T35-R37 VanDerWaalsContact O-N 3.12Å; R37-Q40 PolarHBondContact O-N 3.49Å; R37-R41 WeakPolarHBondContact O-CB 3.16Å; R37-R41 PolarHBondContact O-N 2.83Å
38Q54.7Low48.9Very low83 Ų83133 Ų13339%0.38861%0.606SS.*Hα-helixtrans-65.3-41.3175.2-75.6163.5-40.500111L34 T35 Q40 R41 L42L34-Q38 HydrophobicContact CB-CB 4.34Å; L34-Q38 HydrophobicContact CD2-CB 3.79Å; L34-Q38 HydrophobicContact CD2-CG 4.3Å; T35-Q38 PolarHBondContact O-N 3.22Å; T35-Q38 WeakPolarHBondContact OG1-CG 3.49Å; T35-Q38 PolarHBondContact OG1-N 3.42Å; T35-Q38 PolarHBondContact OG1-OE1 2.89Å; Q38-Q40 PolarHBondContact O-N 3.28Å; Q38-R41 PolarHBondContact O-N 3.07Å; Q38-L42 PolarHBondContact O-N 3.15Å
39K59.8Low49.2Very low98 Ų98131.5 Ų131.543%0.42660%0.601SS.*Hα-helixtrans-60-44172.2-67.4-173.8-179.4-172.40112.1L34 T35 S36 L42 K43L34-K39 HydrophobicContact CB-CG 4.25Å; T35-K39 PolarHBondContact O-N 3.37Å; S36-K39 PolarHBondContact O-N 2.99Å; K39-L42 PolarHBondContact O-N 3.19Å; K39-K43 WeakPolarHBondContact O-CB 3.42Å; K39-K43 PolarHBondContact O-N 3.31Å
40Q58.9Low49.5Very low125 Ų125129.2 Ų129.258%0.58460%0.597SS**Hα-helixtrans-65-36.4175.4-83.4-178.6-13.200112.9S36 R37 Q38 K43 K44S36-Q40 WeakPolarHBondContact O-CB 3.4Å; S36-Q40 WeakPolarHBondContact O-CG 3.29Å; S36-Q40 PolarHBondContact O-N 3.02Å; R37-Q40 PolarHBondContact O-N 3.49Å; Q38-Q40 PolarHBondContact O-N 3.28Å; Q40-K43 PolarHBondContact O-N 3.16Å; Q40-K44 WeakPolarHBondContact O-CB 3.48Å; Q40-K44 WeakPolarHBondContact O-CG 3.5Å; Q40-K44 PolarHBondContact O-N 3.4Å
41R58.2Low49.7Very low190 Ų190131.2 Ų131.272%0.71760%0.603SS**Hα-helixtrans-67.7-43.8176.1-84-178.6138.6-172.4-4.8112.1R37 Q38 K44 R45R37-R41 WeakPolarHBondContact O-CB 3.16Å; R37-R41 PolarHBondContact O-N 2.83Å; Q38-R41 PolarHBondContact O-N 3.07Å; R41-K44 PolarHBondContact O-N 3.26Å; R41-R45 PolarHBondContact O-N 3.13Å
42L56.8Low49.5Very low53 Ų53127.6 Ų127.628%0.27761%0.606SS.*Hα-helixtrans-57.8-50.8170.8-84.3151.3000109.7L34 Q38 K39 K44 R45 F46 Y237L34-L42 HydrophobicContact CD1-CD1 4.32Å; Q38-L42 PolarHBondContact O-N 3.15Å; K39-L42 PolarHBondContact O-N 3.19Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 2.57Å; L42-R45 PolarHBondContact O-N 3.23Å; L42-R45 VanDerWaalsContact O-N 3.07Å; L42-F46 HydrophobicContact CD2-CD2 4.46Å; L42-F46 HydrophobicContact CD2-CE2 3.75Å; L42-F46 WeakPolarHBondContact O-CB 3.41Å; L42-F46 WeakPolarHBondContact O-CD2 3.49Å; L42-F46 PolarHBondContact O-N 3.16Å; L42-Y237 HydrophobicContact CB-CE1 4.33Å
43K57.9Low49Very low117 Ų117126.4 Ų126.451%0.50961%0.61SS.*Hα-helixtrans-58.2-39.8177.8-162.1170.4-175174.50113.1K39 Q40 F46 L47K39-K43 WeakPolarHBondContact O-CB 3.42Å; K39-K43 PolarHBondContact O-N 3.31Å; Q40-K43 PolarHBondContact O-N 3.16Å; K43-F46 PolarHBondContact O-N 3.04Å; K43-L47 HydrophobicContact CG-CD1 3.89Å; K43-L47 WeakPolarHBondContact O-CB 3.32Å; K43-L47 WeakPolarHBondContact O-CD1 3.48Å; K43-L47 PolarHBondContact O-N 3.03Å
44K58.3Low48.3Very low162 Ų162125.9 Ų125.970%0.70461%0.61SS**Hα-helixtrans-71.5-28.3175.7-82.7-171.2175.8-171.50114.1Q40 R41 L42Q40-K44 WeakPolarHBondContact O-CB 3.48Å; Q40-K44 WeakPolarHBondContact O-CG 3.5Å; Q40-K44 PolarHBondContact O-N 3.4Å; R41-K44 PolarHBondContact O-N 3.26Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 2.57Å
45R54.6Low47Very low187 Ų187130.1 Ų130.171%0.70663%0.633SS**Hα-helixtrans-76.1-28.8174.8-80-177.4175.4-177-4.4111.9R41 L42R41-R45 PolarHBondContact O-N 3.13Å; L42-R45 PolarHBondContact O-N 3.23Å; L42-R45 VanDerWaalsContact O-N 3.07Å
46F51.7Low45.6Very low58 Ų58138.4 Ų138.425%0.25466%0.656SS.*Hα-helixtrans-82.7-44177.8-80.5-56.4000111.9L42 K43 K48 P197 E227L42-F46 HydrophobicContact CD2-CD2 4.46Å; L42-F46 HydrophobicContact CD2-CE2 3.75Å; L42-F46 WeakPolarHBondContact O-CB 3.41Å; L42-F46 WeakPolarHBondContact O-CD2 3.49Å; L42-F46 PolarHBondContact O-N 3.16Å; K43-F46 PolarHBondContact O-N 3.04Å; F46-K48 VanDerWaalsContact C-N 3.33Å; F46-K48 PolarHBondContact O-N 3.06Å; F46-K48 VanDerWaalsContact O-N 3.09Å; F46-P197 HydrophobicContact CZ-CB 4.28Å; F46-P197 HydrophobicContact CZ-CG 3.96Å; F46-E227 VanDerWaalsContact CA-OE1 3.23Å; F46-E227 WeakPolarHBondContact CA-OE1 3.27Å; F46-E227 WeakPolarHBondContact CB-OE1 3.37Å; F46-E227 WeakPolarHBondContact CD1-OE1 3.23Å; F46-E227 VanDerWaalsContact O-CD 3.25Å
47L43.6Very low44.2Very low90 Ų90140.1 Ų140.147%0.47166%0.662SS.*  trans-81.730.4-179.5-88.781.9000116.7K43 S49K43-L47 HydrophobicContact CG-CD1 3.89Å; K43-L47 WeakPolarHBondContact O-CB 3.32Å; K43-L47 WeakPolarHBondContact O-CD1 3.48Å; K43-L47 PolarHBondContact O-N 3.03Å; L47-S49 VanDerWaalsContact C-N 3.34Å; L47-S49 PolarHBondContact O-N 2.7Å
48K38.8Very low43.1Very low188 Ų188136.6 Ų136.682%0.81767%0.667SS**  trans-91.266.6174.1-94.8-169175.6-170.40111.8F46F46-K48 VanDerWaalsContact C-N 3.33Å; F46-K48 PolarHBondContact O-N 3.06Å; F46-K48 VanDerWaalsContact O-N 3.09Å
49S34.8Very low41.7Very low93 Ų93143.9 Ų143.965%0.6569%0.691SS**  trans-172.775.4155.8600000109.6L47L47-S49 VanDerWaalsContact C-N 3.34Å; L47-S49 PolarHBondContact O-N 2.7Å
50D36.6Very low40.2Very low133 Ų133148.8 Ų148.871%0.71171%0.712SS**  trans-132.591.5167.8-85.2-27.2000108.2
51E36.3Very low38.7Very low181 Ų181149.5 Ų149.585%0.84673%0.725SS**  trans-89.2135.6146-75.9-152.215800107.9V53E51-V53 PolarHBondContact O-N 3.02Å
52P31Very low37.1Very low125 Ų125148.9 Ų148.981%0.81273%0.728SS**  trans-84.3112-175.232.9-29.2000109.9
53V32.2Very low35.7Very low142 Ų142154.2 Ų154.286%0.86175%0.751SS**  trans-95.2115.7166.2-177.60000109.2E51E51-V53 PolarHBondContact O-N 3.02Å
54E30.6Very low34.2Very low186 Ų186154.4 Ų154.487%0.86977%0.765SS**  trans-60.7144.4179.8-70-176.3144.500113.7R56E54-R56 PolarHBondContact O-N 2.82Å
55N27.1Very low32.9Very low157 Ų157152.1 Ų152.184%0.8477%0.769SS**  trans-55.8123.6172.7-78.1-47.7000113.4
56R28.7Very low31.5Very low251 Ų251150.7 Ų150.795%0.94778%0.776SS**  trans-137.3108.1141.7-78.8-167.3177.3175.40.3111.5E54E54-R56 PolarHBondContact O-N 2.82Å
57V26Very low30.3Very low128 Ų128153 Ų15378%0.77680%0.799SS**  trans-68.6127167.8172.10000109.2
58S29.2Very low29.5Very low121 Ų121155.4 Ų155.485%0.84681%0.812SS**  trans-160.2126.3150.1-79.30000111
59R24.1Very low29Very low236 Ų236155.1 Ų155.189%0.89182%0.818SS**  trans-72.6140.8-179.5-67.4168.1174.1149.7-3.1111.8
60K27.9Very low28.7Very low201 Ų201158.5 Ų158.587%0.87482%0.823SS**  trans170.1103.2141.9-94.3165.4-176.7-171.70108
61V28.8Very low28.2Very low140 Ų140159.5 Ų159.585%0.84883%0.829SS**  62.710095.6-176.60000114.3
62F23.9Very low27.9Very low177 Ų177158.8 Ų158.878%0.77683%0.831SS**  trans35.6117.2137.4-140.8-114.9000120.6
63E28Very low27.8Very low165 Ų165156.4 Ų156.477%0.77183%0.828SS**  175148.5101-88.6-173.5174.500110.8
64P26.6Very low27.6Very low122 Ų122157 Ų15779%0.79283%0.827SS**  trans-98.8136.4-170.936.2-27.4000112.7
65S30Very low27.5Very low114 Ų114156.3 Ų156.380%0.79782%0.824SS**  trans-146.9120.7166.761.70000111.4
66D25.7Very low27.6Very low157 Ų157156.2 Ų156.284%0.8482%0.822SS**  trans18.8141.8151.5-76.5-31.3000122.2
67S26Very low27.6Very low105 Ų105151.1 Ų151.173%0.73481%0.811SS**  trans84.8140.5151.174.40000117.6
68L27Very low28Very low142 Ų142152.1 Ų152.174%0.74382%0.817SS**  trans91.483172.3-51.3167.5000115.8
69L29.6Very low28.2Very low181 Ų181150.3 Ų150.395%0.94880%0.798SS**  trans-138.886.8134.9-74.3-177.4000108
70E28Very low29.1Very low165 Ų165144.2 Ų144.277%0.77178%0.783SS**  trans-69.9137.2156.4-67.917815500108.7
71N26Very low29.7Very low154 Ų154136.5 Ų136.582%0.82475%0.749SS**  trans40.893.5150.1-71.5-16.1000118.5
72D30.3Very low30.3Very low166 Ų166132.1 Ų132.189%0.88873%0.733SS**  trans-115.9110.3140.8-82.3-37.6000108.1D74D72-D74 PolarHBondContact O-N 3.39Å
73G27.7Very low31.1Very low74 Ų74133.7 Ų133.776%0.76373%0.733SS**  trans-77.7108.2179.400000110.8E75G73-E75 PolarHBondContact O-N 3.39Å
74D28.5Very low32.2Very low156 Ų156126.7 Ų126.783%0.83470%0.701SS**  trans-85.188.8152.9-77.1-28.6000107.4D72 L76D72-D74 PolarHBondContact O-N 3.39Å; D74-L76 PolarHBondContact O-N 3.44Å
75E27.4Very low33.1Very low171 Ų171123.2 Ų123.280%0.79968%0.68SS**  trans-62.891.1164.4-140176.7-160.500107.2G73 M77G73-E75 PolarHBondContact O-N 3.39Å; E75-M77 VanDerWaalsContact C-N 3.27Å; E75-M77 PolarHBondContact O-N 3.14Å
76L30.5Very low33.8Very low154 Ų154123.5 Ų123.581%0.80667%0.673SS**  trans-59.694.5167.3-82.2161.1000107.4D74 V78D74-L76 PolarHBondContact O-N 3.44Å; L76-V78 WeakPolarHBondContact O-CG2 3.28Å; L76-V78 PolarHBondContact O-N 2.87Å
77M28.5Very low34.9Very low145 Ų145118.6 Ų118.671%0.71465%0.646SS**  trans-51.6112.6165.1-72.9-77.5-173.700107.4E75 D79E75-M77 VanDerWaalsContact C-N 3.27Å; E75-M77 PolarHBondContact O-N 3.14Å; M77-D79 VanDerWaalsContact C-N 3.33Å; M77-D79 PolarHBondContact O-N 3.08Å
78V34.6Very low35.9Very low148 Ų148117.7 Ų117.790%0.89763%0.63SS**  trans-77.691.1179.2-159.30000106.1L76L76-V78 WeakPolarHBondContact O-CG2 3.28Å; L76-V78 PolarHBondContact O-N 2.87Å
79D34Very low36.5Very low83 Ų83116.1 Ų116.144%0.44462%0.623SS.*  trans-72.8130.6-173.1-56.7-20.6000111.5M77 F81 K183M77-D79 VanDerWaalsContact C-N 3.33Å; M77-D79 PolarHBondContact O-N 3.08Å; D79-F81 PolarHBondContact O-N 2.96Å; D79-K183 WeakPolarHBondContact OD2-CE 3.43Å; D79-K183 IonicContact OD2-NZ 2.9Å; D79-K183 PolarHBondContact OD2-NZ 3.21Å
80D41Very low37Very low108 Ų108115 Ų11558%0.57861%0.612SS**SBendtrans-67.758.6-171.9-166.111.7000114.5R152D80-R152 PolarHBondContact O-NH1 3.42Å; D80-R152 PolarHBondContact O-NH2 3.26Å
81F40.8Very low37.5Very low39 Ų39112.8 Ų112.817%0.17161%0.606CS.*  trans-99.582.5149.7-82.9-93.5000107D79 R83 L139 P182D79-F81 PolarHBondContact O-N 2.96Å; F81-R83 PolarHBondContact O-N 2.93Å; F81-L139 HydrophobicContact CE1-CB 3.81Å; F81-L139 HydrophobicContact CZ-CB 3.89Å; F81-P182 HydrophobicContact CB-CB 4.15Å; F81-P182 HydrophobicContact CD1-CB 4.25Å; F81-P182 HydrophobicContact CD2-CB 3.74Å; F81-P182 HydrophobicContact CD2-CG 4.36Å; F81-P182 HydrophobicContact CE2-CB 4.15Å; F81-P182 HydrophobicContact CG-CB 3.79Å
82G41.7Very low38.1Very low48 Ų48112.2 Ų112.250%0.49560%0.601SS.*  trans-40.1131.8175.300000110.9L84G82-L84 PolarHBondContact O-N 3.28Å; G82-L84 VanDerWaalsContact O-N 3.11Å
83R41.3Very low38.3Very low210 Ų210112.2 Ų112.279%0.79259%0.593SS**  trans-42.2121.2-176.7-74.9178.5170.1171.4-3.1109.5F81 S85F81-R83 PolarHBondContact O-N 2.93Å; R83-S85 VanDerWaalsContact CB-OG 3.25Å; R83-S85 WeakPolarHBondContact CB-OG 3.39Å; R83-S85 PolarHBondContact O-N 2.99Å
84L51.6Low38.5Very low18 Ų18114.9 Ų114.99%0.09460%0.595CS.*G310 helixtrans-65.31.5171.6-96.885.8000112.9G82 D86 L87 V156 I160 V175 L178 D179G82-L84 PolarHBondContact O-N 3.28Å; G82-L84 VanDerWaalsContact O-N 3.11Å; L84-D86 PolarHBondContact O-N 3.02Å; L84-L87 HydrophobicContact CD2-CD1 3.87Å; L84-L87 HydrophobicContact CG-CD1 3.99Å; L84-L87 PolarHBondContact O-N 3.49Å; L84-V156 HydrophobicContact CD1-CG1 4.15Å; L84-V156 HydrophobicContact CD2-CG1 3.63Å; L84-V156 HydrophobicContact CG-CG1 4.04Å; L84-I160 HydrophobicContact CD2-CD1 3.85Å; L84-V175 HydrophobicContact CD2-CG1 4.19Å; L84-L178 HydrophobicContact CD1-CD2 4.48Å; L84-L178 HydrophobicContact CD2-CD2 4.22Å; L84-D179 WeakPolarHBondContact CB-OD1 3.15Å
85S45.8Very low38.6Very low50 Ų50114.9 Ų114.935%0.3560%0.595SS.*G310 helixtrans-51.5-24.7175.951.80000113.1R83 L87 E88R83-S85 VanDerWaalsContact CB-OG 3.25Å; R83-S85 WeakPolarHBondContact CB-OG 3.39Å; R83-S85 PolarHBondContact O-N 2.99Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact O-N 2.98Å; S85-E88 PolarHBondContact O-N 3.3Å
86D43.8Very low38.7Very low120 Ų120113.6 Ų113.664%0.64260%0.599SS**G310 helixtrans-79.4-7.5-177.6-55.2-5.3000113.1L84L84-D86 PolarHBondContact O-N 3.02Å
87L48.2Very low38.9Very low54 Ų54112.8 Ų112.828%0.28360%0.596SS.*G310 helixtrans-87.9-16.5173.7-65.3174.9000112.8L84 S85 D89 V156L84-L87 HydrophobicContact CD2-CD1 3.87Å; L84-L87 HydrophobicContact CG-CD1 3.99Å; L84-L87 PolarHBondContact O-N 3.49Å; S85-L87 VanDerWaalsContact C-N 3.27Å; S85-L87 PolarHBondContact O-N 2.98Å; L87-D89 VanDerWaalsContact C-N 3.32Å; L87-V156 HydrophobicContact CD1-CG1 4.24Å
88E47.5Very low39Very low86 Ų86111.9 Ų111.940%0.40260%0.601SS.*THydrogen-bonded Turntrans-79.8-15.4179.3-65.8-179.9172.100111.8S85 I92 K176S85-E88 PolarHBondContact O-N 3.3Å; E88-I92 WeakPolarHBondContact O-CD1 3.38Å; E88-K176 IonicContact OE1-NZ 2.87Å; E88-K176 PolarHBondContact OE1-NZ 3.12Å
89D40.4Very low39.1Very low109 Ų109111.5 Ų111.558%0.58360%0.598SS**THydrogen-bonded Turntrans-89.9-11.8-175.1-74.2-29.1000115.3L87L87-D89 VanDerWaalsContact C-N 3.32Å
90E39.2Very low39.1Very low157 Ų157115.4 Ų115.473%0.73461%0.614SS**THydrogen-bonded Turntrans-96.1-24.4-179.1-68.6-154.115200114.3
91D39.6Very low38.5Very low119 Ų119116.5 Ų116.564%0.63663%0.627SS**THydrogen-bonded Turntrans-92.93.1-177.8-69.5-24.2000113.7
92I38.3Very low38.2Very low141 Ų141120.9 Ų120.972%0.72366%0.657SS**THydrogen-bonded Turntrans-100.4-3179.7-61.1175.9000112.7E88E88-I92 WeakPolarHBondContact O-CD1 3.38Å
93K34.4Very low37.8Very low166 Ų166125.2 Ų125.272%0.72267%0.669SS**SBendtrans-104.879.3177.2-67.4176.1-172.21620110.8
94T31.1Very low37.4Very low130 Ų130124.3 Ų124.380%0.79867%0.673SS**SBendtrans165.2101146.834.50000109.9
95N31.9Very low36.5Very low157 Ų157129.9 Ų129.984%0.8470%0.703SS**  trans148.966.7150.7-74.4-15.1000109.4
96T29.7Very low35.9Very low144 Ų144137 Ų13788%0.88373%0.731SS**  trans-9194.1159.710.60000106.9
97D34.7Very low35.3Very low136 Ų136138 Ų13873%0.72774%0.736SS**  trans-108.2135.9159.2-78.2-35.1000108.3V99D97-V99 PolarHBondContact O-N 2.91Å
98P30Very low34.5Very low126 Ų126144.2 Ų144.282%0.81877%0.766SS**  trans-79.6120.7-17431.5-31.4000109.8
99V36.1Very low33.9Very low141 Ų141147.4 Ų147.486%0.85578%0.784SS**  trans-116.9126.6173.5-175.10000109.8D97D97-V99 PolarHBondContact O-N 2.91Å
100E33.6Very low33.4Very low165 Ų165147.9 Ų147.977%0.77179%0.791SS**  trans-58.8160.1-177.1-71.6-171.7156.300114.5V102E100-V102 PolarHBondContact O-N 2.97Å
101P30.1Very low33.2Very low130 Ų130148.6 Ų148.684%0.84480%0.8SS**  trans-80.8120.3-172.132.9-30.1000110.4
102V34.2Very low33Very low132 Ų132150.5 Ų150.580%0.881%0.809SS**  trans-132109.6174.6-170.10000111.3E100E100-V102 PolarHBondContact O-N 2.97Å
103D31.9Very low32.6Very low139 Ų139148 Ų14874%0.74381%0.81SS**  trans34.5128.6150.8-129.6-20.7000122.3N105D103-N105 VanDerWaalsContact C-N 3.27Å; D103-N105 PolarHBondContact O-N 3.12Å
104E33.5Very low32.5Very low191 Ų191145.6 Ų145.689%0.89381%0.814SS**SBendtrans-77.933.7-169.7-63.7-176.4148.200115.6
105N32.4Very low32.7Very low135 Ų135148.7 Ų148.772%0.72282%0.819SS**  trans-140.278.6-177.5-67.5-62000112.6D103D103-N105 VanDerWaalsContact C-N 3.27Å; D103-N105 PolarHBondContact O-N 3.12Å
106E33.3Very low32.8Very low199 Ų199148.4 Ų148.493%0.9382%0.818SS**  trans-153.6101.4154.5-113.8165-150.500112.3
107D30.6Very low32.9Very low142 Ų142148.2 Ų148.276%0.75982%0.816SS**  trans-63.1146.8173.6-72.7-55.3000113.1
108M31.5Very low33Very low184 Ų184147.3 Ų147.391%0.90682%0.815SS**  trans39.580.8144.2-62.8-150.5-139.300117.7
109I35.2Very low33.2Very low152 Ų152150.1 Ų150.178%0.77982%0.817SS**  trans-130.1112.7153.1-54.9-179.9000108.9N111I109-N111 PolarHBondContact O-N 3.06Å
110T31.2Very low33.6Very low120 Ų120151 Ų15174%0.73681%0.81SS**  trans-48124170.745.50000111.5L112T110-L112 PolarHBondContact O-N 3.01Å
111N33.4Very low34.2Very low171 Ų171147.8 Ų147.891%0.91481%0.806SS**  trans-61.885165-73.6-18.1000109.8I109I109-N111 PolarHBondContact O-N 3.06Å
112L35.7Very low35.6Very low159 Ų159148.5 Ų148.583%0.83281%0.807SS**  trans-137.857.1174.9-154.985.1000109.2T110T110-L112 PolarHBondContact O-N 3.01Å
113A30.7Very low37.1Very low88 Ų88145.5 Ų145.573%0.72779%0.785SS**SBendtrans-163.1138.7162.700000109.9
114S31.2Very low39.4Very low117 Ų117143.4 Ų143.482%0.81877%0.774SS**  trans65.478.6168.460.10000117.4
115E35.7Very low41.8Very low194 Ų194137.1 Ų137.191%0.90775%0.751SS**  trans-128.6132.8137.2-79.1-175.6174.400108.2
116D34.1Very low44.4Very low151 Ų151133.3 Ų133.381%0.80774%0.735SS**  trans-54.2142.4-167.3-63.9-59.9000113.6V118D116-V118 PolarHBondContact O-N 3.47Å
117V31.8Very low47.1Very low141 Ų141126.9 Ų126.986%0.85571%0.71SS**  trans-6679.2172.1-177.70000108.5E119V117-E119 PolarHBondContact O-N 2.89Å
118V37Very low49.9Very low116 Ų116120.7 Ų120.770%0.70368%0.676SS**  trans-75.1113.8157.7-178.50000105.4D116 K120D116-V118 PolarHBondContact O-N 3.47Å; V118-K120 PolarHBondContact O-N 3.47Å
119E33.2Very low52.6Low185 Ų185113.9 Ų113.986%0.86464%0.644SS**  trans-54.783171.3-71.2-178.5153.700109.9V117 S121V117-E119 PolarHBondContact O-N 2.89Å; E119-S121 VanDerWaalsContact C-N 3.35Å; E119-S121 PolarHBondContact O-N 2.83Å
120K44.3Very low55.3Low161 Ų161112.4 Ų112.470%0.763%0.633SS**  trans-68.7100.9165.5-86.6-179177.3174.20105.8V118 V122V118-K120 PolarHBondContact O-N 3.47Å; K120-V122 PolarHBondContact O-N 3.02Å
121S47.8Very low58.2Low97 Ų97110.6 Ų110.668%0.67861%0.613SS**  trans-46.8111.2165.961.90000107.5E119 M123E119-S121 VanDerWaalsContact C-N 3.35Å; E119-S121 PolarHBondContact O-N 2.83Å; S121-M123 PolarHBondContact O-N 3.28Å
122V58.1Low61Low145 Ų145102.7 Ų102.788%0.87957%0.571SS**  trans-66.592.7178.8-177.10000106K120 D124K120-V122 PolarHBondContact O-N 3.02Å; V122-D124 PolarHBondContact O-N 2.8Å
123M65.8Low63.6Low69 Ų69102.9 Ų102.934%0.3456%0.561SS.*  trans-61.7137.5173.9-75.1-177.1-66.300107.9S121 S125 L128 R131S121-M123 PolarHBondContact O-N 3.28Å; M123-S125 PolarHBondContact O-N 2.63Å; M123-L128 HydrophobicContact CE-CD1 4.45Å; M123-R131 PolarHBondContact SD-NH1 2.81Å; M123-R131 VanDerWaalsContact SD-NH1 3.4Å
124D81.2Confident66.4Low95 Ų95103.5 Ų103.551%0.50855%0.551SS.*  trans-53.8138.1175179.426.1000110.6V122 S126 T127 L128V122-D124 PolarHBondContact O-N 2.8Å; D124-S126 PolarHBondContact O-N 3.2Å; D124-S126 VanDerWaalsContact O-N 3.12Å; D124-S126 WeakPolarHBondContact OD2-CB 3.26Å; D124-S126 PolarHBondContact OD2-OG 3.43Å; D124-T127 HydrophobicContact CB-CG2 4.3Å; D124-T127 PolarHBondContact O-N 3.45Å; D124-T127 VanDerWaalsContact O-N 3.12Å; D124-T127 PolarHBondContact O-OG1 3.18Å; D124-L128 PolarHBondContact O-N 2.82Å
125S83.1Confident69.2Low58 Ų58100.2 Ų100.241%0.40652%0.521SS..Hα-helixtrans-56.5-33.6-179.1-174.60000111M123 N129M123-S125 PolarHBondContact O-N 2.63Å; S125-N129 WeakPolarHBondContact O-CB 3.48Å; S125-N129 PolarHBondContact O-N 2.94Å; S125-N129 PolarHBondContact O-ND2 3.32Å; S125-N129 PolarHBondContact OG-ND2 2.93Å
126S87.4Confident71.7Confident56 Ų5692.5 Ų92.539%0.39249%0.486SS..Hα-helixtrans-65.8-44.7178.983.30000112.6D124 L128 N129 Q130D124-S126 PolarHBondContact O-N 3.2Å; D124-S126 VanDerWaalsContact O-N 3.12Å; D124-S126 WeakPolarHBondContact OD2-CB 3.26Å; D124-S126 PolarHBondContact OD2-OG 3.43Å; S126-L128 VanDerWaalsContact C-N 3.35Å; S126-N129 PolarHBondContact O-N 2.82Å; S126-Q130 WeakPolarHBondContact O-CG 3.32Å; S126-Q130 PolarHBondContact O-N 2.89Å
127T89.3Confident74.3Confident64 Ų6492 Ų9239%0.39347%0.474SS..Hα-helixtrans-70-36.9-179.959.70000110.8D124 Q130 R131D124-T127 HydrophobicContact CB-CG2 4.3Å; D124-T127 PolarHBondContact O-N 3.45Å; D124-T127 VanDerWaalsContact O-N 3.12Å; D124-T127 PolarHBondContact O-OG1 3.18Å; T127-Q130 PolarHBondContact O-N 3.47Å; T127-R131 WeakPolarHBondContact O-CB 3.46Å; T127-R131 PolarHBondContact O-N 3.06Å
128L89Confident76.9Confident11 Ų1186.6 Ų86.66%0.05844%0.44CS..Hα-helixtrans-65.3-46.1175.8-158.8167.1000111.2M123 D124 S126 Q130 R131 I132 D162 R166M123-L128 HydrophobicContact CE-CD1 4.45Å; D124-L128 PolarHBondContact O-N 2.82Å; S126-L128 VanDerWaalsContact C-N 3.35Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 2.85Å; L128-R131 PolarHBondContact O-N 3.23Å; L128-R131 VanDerWaalsContact O-N 3.14Å; L128-I132 HydrophobicContact CD2-CD1 3.3Å; L128-I132 HydrophobicContact CD2-CG1 3.9Å; L128-I132 WeakPolarHBondContact O-CG1 3.36Å; L128-I132 PolarHBondContact O-N 2.87Å; L128-D162 HydrophobicContact CD2-CB 4.1Å; L128-R166 HydrophobicContact CD2-CB 3.68Å; L128-R166 HydrophobicContact CD2-CG 4.29Å
129N89.9Confident79.3Confident42 Ų4281.2 Ų81.223%0.22541%0.407CS..Hα-helixtrans-60.5-38174.7-70.7-40.6000112.3S125 S126 R133 R166S125-N129 WeakPolarHBondContact O-CB 3.48Å; S125-N129 PolarHBondContact O-N 2.94Å; S125-N129 PolarHBondContact O-ND2 3.32Å; S125-N129 PolarHBondContact OG-ND2 2.93Å; S126-N129 PolarHBondContact O-N 2.82Å; N129-R133 WeakPolarHBondContact O-CG 3.34Å; N129-R133 PolarHBondContact O-N 3.48Å; N129-R133 VanDerWaalsContact O-N 3.15Å; N129-R166 WeakPolarHBondContact OD1-CD 3.4Å; N129-R166 PolarHBondContact OD1-NE 2.83Å
130Q91.5Very high81.8Confident120 Ų12075.7 Ų75.756%0.56139%0.389SS*.Hα-helixtrans-65.1-43.3174.3-73.6174.82.800111.6S126 T127 L128 R133 N134S126-Q130 WeakPolarHBondContact O-CG 3.32Å; S126-Q130 PolarHBondContact O-N 2.89Å; T127-Q130 PolarHBondContact O-N 3.47Å; L128-Q130 VanDerWaalsContact C-N 3.29Å; L128-Q130 PolarHBondContact O-N 2.85Å; Q130-R133 PolarHBondContact O-N 2.91Å; Q130-N134 PolarHBondContact O-N 2.96Å; Q130-N134 PolarHBondContact O-ND2 3.41Å; Q130-N134 PolarHBondContact O-OD1 3.07Å
131R92Very high83.7Confident83 Ų8370.4 Ų70.431%0.31337%0.368SS..Hα-helixtrans-61.4-45.5177.9-169164.381.5-177.56.1112.1M123 T127 L128 R133 N134 W135 D162M123-R131 PolarHBondContact SD-NH1 2.81Å; M123-R131 VanDerWaalsContact SD-NH1 3.4Å; T127-R131 WeakPolarHBondContact O-CB 3.46Å; T127-R131 PolarHBondContact O-N 3.06Å; L128-R131 PolarHBondContact O-N 3.23Å; L128-R131 VanDerWaalsContact O-N 3.14Å; R131-R133 PolarHBondContact O-N 3.1Å; R131-N134 PolarHBondContact O-N 2.81Å; R131-W135 VanDerWaalsContact CG-NE1 3.34Å; R131-W135 PolarHBondContact O-N 2.86Å; R131-D162 WeakPolarHBondContact CG-OD2 3.28Å; R131-D162 IonicContact CZ-OD1 3.32Å; R131-D162 VanDerWaalsContact CZ-OD1 3.28Å; R131-D162 IonicContact CZ-OD2 3.27Å; R131-D162 VanDerWaalsContact NE-CG 3.31Å; R131-D162 IonicContact NE-OD1 3.33Å; R131-D162 PolarHBondContact NE-OD1 3.03Å; R131-D162 IonicContact NE-OD2 2.58Å; R131-D162 PolarHBondContact NE-OD2 2.94Å; R131-D162 IonicContact NH2-OD1 2.6Å; R131-D162 PolarHBondContact NH2-OD1 3.27Å; R131-D162 IonicContact NH2-OD2 3.28Å
132I91.4Very high85.5Confident4 Ų467.8 Ų67.82%0.02135%0.345CS..Hα-helixtrans-56.2-48.7174.2-69.8165.2000110.9L128 N134 W135 L136 L159 D162 L163 R166 V186L128-I132 HydrophobicContact CD2-CD1 3.3Å; L128-I132 HydrophobicContact CD2-CG1 3.9Å; L128-I132 WeakPolarHBondContact O-CG1 3.36Å; L128-I132 PolarHBondContact O-N 2.87Å; I132-N134 VanDerWaalsContact C-N 3.34Å; I132-N134 PolarHBondContact O-N 3.37Å; I132-W135 PolarHBondContact O-N 3.18Å; I132-L136 HydrophobicContact CG2-CD1 3.8Å; I132-L136 HydrophobicContact CG2-CG 4.45Å; I132-L136 WeakPolarHBondContact O-CG 3.44Å; I132-L136 PolarHBondContact O-N 3.14Å; I132-L159 HydrophobicContact CG2-CD1 4.07Å; I132-D162 HydrophobicContact CD1-CB 4.28Å; I132-D162 HydrophobicContact CG1-CB 3.71Å; I132-L163 HydrophobicContact CD1-CD2 3.94Å; I132-L163 HydrophobicContact CG1-CD2 4.23Å; I132-L163 HydrophobicContact CG2-CD2 3.82Å; I132-R166 HydrophobicContact CD1-CB 3.97Å; I132-R166 HydrophobicContact CD1-CG 4.12Å; I132-V186 HydrophobicContact CG2-CG2 3.75Å
133R90.6Very high86.6Confident164 Ų16469.2 Ų69.262%0.61934%0.339SS*.Hα-helixtrans-62.9-40.2179.7-72.7177.8-175-155.7-0.5112.3N129 Q130 R131 L136 Y137N129-R133 WeakPolarHBondContact O-CG 3.34Å; N129-R133 PolarHBondContact O-N 3.48Å; N129-R133 VanDerWaalsContact O-N 3.15Å; Q130-R133 PolarHBondContact O-N 2.91Å; R131-R133 PolarHBondContact O-N 3.1Å; R133-L136 PolarHBondContact O-N 2.83Å; R133-Y137 WeakPolarHBondContact O-CB 3.22Å; R133-Y137 PolarHBondContact O-N 3.37Å
134N89.9Confident87.5Confident100 Ų10072.1 Ų72.154%0.53536%0.356SS..Hα-helixtrans-63.9-43.2176.5-68.8-12.3000111.2Q130 R131 I132 Y137 I138Q130-N134 PolarHBondContact O-N 2.96Å; Q130-N134 PolarHBondContact O-ND2 3.41Å; Q130-N134 PolarHBondContact O-OD1 3.07Å; R131-N134 PolarHBondContact O-N 2.81Å; I132-N134 VanDerWaalsContact C-N 3.34Å; I132-N134 PolarHBondContact O-N 3.37Å; N134-Y137 WeakPolarHBondContact O-CB 3.44Å; N134-Y137 PolarHBondContact O-N 3.17Å; N134-I138 WeakPolarHBondContact O-CG1 3.25Å; N134-I138 PolarHBondContact O-N 3.15Å
135W89.3Confident87.6Confident48 Ų4871.8 Ų71.818%0.18235%0.348CS..Hα-helixtrans-62.9-44.8176.1-70.9137.2000112.6R131 I132 Y137 I138 L139 L150 C155 T158 L159 D162R131-W135 VanDerWaalsContact CG-NE1 3.34Å; R131-W135 PolarHBondContact O-N 2.86Å; I132-W135 PolarHBondContact O-N 3.18Å; W135-Y137 VanDerWaalsContact C-N 3.3Å; W135-Y137 PolarHBondContact O-N 3.49Å; W135-I138 HydrophobicContact CE3-CD1 4.01Å; W135-I138 HydrophobicContact CZ3-CD1 4Å; W135-I138 PolarHBondContact O-N 3.34Å; W135-L139 VanDerWaalsContact O-CB 3.3Å; W135-L139 WeakPolarHBondContact O-CB 3.11Å; W135-L139 VanDerWaalsContact O-CG 3.27Å; W135-L139 WeakPolarHBondContact O-CG 3.39Å; W135-L139 PolarHBondContact O-N 2.89Å; W135-L150 HydrophobicContact CH2-CD2 4.14Å; W135-L150 HydrophobicContact CZ3-CD2 3.68Å; W135-C155 HydrophobicContact CE3-CB 4.27Å; W135-C155 HydrophobicContact CZ3-CB 4.38Å; W135-T158 HydrophobicContact CZ2-CG2 4.15Å; W135-L159 HydrophobicContact CB-CB 4.21Å; W135-L159 HydrophobicContact CB-CD1 3.97Å; W135-L159 HydrophobicContact CG-CB 4.46Å; W135-D162 PolarHBondContact NE1-OD2 3.33Å
136L89.3Confident87.4Confident32 Ų3270.3 Ų70.317%0.16834%0.339CS..Hα-helixtrans-62.9-39.2175.8-68.6167.7000111.8I132 R133 L139 S140 L159 I185 V186I132-L136 HydrophobicContact CG2-CD1 3.8Å; I132-L136 HydrophobicContact CG2-CG 4.45Å; I132-L136 WeakPolarHBondContact O-CG 3.44Å; I132-L136 PolarHBondContact O-N 3.14Å; R133-L136 PolarHBondContact O-N 2.83Å; L136-L139 PolarHBondContact O-N 3.38Å; L136-S140 VanDerWaalsContact O-CB 3.32Å; L136-S140 WeakPolarHBondContact O-CB 3.29Å; L136-S140 PolarHBondContact O-N 3.01Å; L136-S140 PolarHBondContact O-OG 3.46Å; L136-L159 HydrophobicContact CD2-CD1 4.48Å; L136-L159 HydrophobicContact CD2-CD2 3.9Å; L136-L159 HydrophobicContact CG-CD1 4.35Å; L136-I185 HydrophobicContact CD1-CG2 4.42Å; L136-I185 HydrophobicContact CD2-CG2 3.83Å; L136-V186 HydrophobicContact CD1-CB 4.42Å; L136-V186 HydrophobicContact CD1-CG2 3.33Å
137Y87.9Confident87.1Confident141 Ų14171 Ų7155%0.55334%0.342SS*.Hα-helixtrans-62-45.7175.2-179.4-99.9000111.9R133 N134 W135 S140 R145R133-Y137 WeakPolarHBondContact O-CB 3.22Å; R133-Y137 PolarHBondContact O-N 3.37Å; N134-Y137 WeakPolarHBondContact O-CB 3.44Å; N134-Y137 PolarHBondContact O-N 3.17Å; W135-Y137 VanDerWaalsContact C-N 3.3Å; W135-Y137 PolarHBondContact O-N 3.49Å; Y137-S140 PolarHBondContact O-OG 3.43Å; Y137-R145 HydrophobicContact CE1-CG 4.27Å; Y137-R145 VanDerWaalsContact CE2-CZ 3.49Å; Y137-R145 WeakPolarHBondContact O-CD 3.24Å; Y137-R145 PolarHBondContact O-NH1 3.36Å
138I87.7Confident86.3Confident27 Ų2773 Ų7314%0.13837%0.365CS..Hα-helixtrans-65.7-47.3176.9-66.9165.4000110.9N134 W135 S140 D141 F142 A146N134-I138 WeakPolarHBondContact O-CG1 3.25Å; N134-I138 PolarHBondContact O-N 3.15Å; W135-I138 HydrophobicContact CE3-CD1 4.01Å; W135-I138 HydrophobicContact CZ3-CD1 4Å; W135-I138 PolarHBondContact O-N 3.34Å; I138-S140 VanDerWaalsContact C-N 3.31Å; I138-S140 PolarHBondContact O-N 3Å; I138-D141 CarbonylContact O-C 3.22Å; I138-D141 PolarHBondContact O-N 2.99Å; I138-F142 HydrophobicContact CG2-CD2 4.13Å; I138-F142 HydrophobicContact CG2-CE2 4.4Å; I138-F142 VanDerWaalsContact O-CA 3.28Å; I138-F142 WeakPolarHBondContact O-CA 3.46Å; I138-F142 PolarHBondContact O-N 3.01Å; I138-F142 VanDerWaalsContact O-N 3.14Å; I138-A146 HydrophobicContact CG2-CB 4.28Å
139L87.2Confident85.8Confident4 Ų480.1 Ų80.12%0.02140%0.403CS..Hα-helixtrans-69.4-26.7-176-71.6169.4000113.3F81 W135 L136 D141 F142 R152 C155 V156 L159F81-L139 HydrophobicContact CE1-CB 3.81Å; F81-L139 HydrophobicContact CZ-CB 3.89Å; W135-L139 VanDerWaalsContact O-CB 3.3Å; W135-L139 WeakPolarHBondContact O-CB 3.11Å; W135-L139 VanDerWaalsContact O-CG 3.27Å; W135-L139 WeakPolarHBondContact O-CG 3.39Å; W135-L139 PolarHBondContact O-N 2.89Å; L136-L139 PolarHBondContact O-N 3.38Å; L139-D141 PolarHBondContact O-N 3.41Å; L139-F142 HydrophobicContact CD2-CD2 4.2Å; L139-R152 HydrophobicContact CD2-CG 4.11Å; L139-C155 HydrophobicContact CD2-CB 4Å; L139-C155 HydrophobicContact CG-CB 4.5Å; L139-V156 HydrophobicContact CD1-CG2 4.2Å; L139-V156 HydrophobicContact CD2-CG2 3.92Å; L139-L159 HydrophobicContact CD1-CB 4.5Å; L139-L159 HydrophobicContact CD1-CD2 3.61Å
140S85.2Confident85.4Confident68 Ų6880.9 Ų80.948%0.47641%0.407SS..Hα-helixtrans-65-25.4175.866.20000114.1L136 Y137 I138 R145L136-S140 VanDerWaalsContact O-CB 3.32Å; L136-S140 WeakPolarHBondContact O-CB 3.29Å; L136-S140 PolarHBondContact O-N 3.01Å; L136-S140 PolarHBondContact O-OG 3.46Å; Y137-S140 PolarHBondContact O-OG 3.43Å; I138-S140 VanDerWaalsContact C-N 3.31Å; I138-S140 PolarHBondContact O-N 3Å; S140-R145 PolarHBondContact OG-NH1 3.22Å
141D85.1Confident85.1Confident51 Ų5179.8 Ų79.827%0.27341%0.405SS..THydrogen-bonded Turntrans-149.572173-175.32.6000109.5I138 L139 K143 N144 R145I138-D141 CarbonylContact O-C 3.22Å; I138-D141 PolarHBondContact O-N 2.99Å; L139-D141 PolarHBondContact O-N 3.41Å; D141-K143 PolarHBondContact O-N 2.84Å; D141-N144 PolarHBondContact O-N 3.4Å; D141-N144 PolarHBondContact OD1-N 3.31Å; D141-N144 PolarHBondContact OD1-ND2 3.45Å; D141-N144 WeakPolarHBondContact OD2-CB 3.23Å; D141-N144 PolarHBondContact OD2-ND2 3.08Å; D141-R145 HydrophobicContact CB-CG 4.27Å; D141-R145 VanDerWaalsContact O-CB 3.26Å; D141-R145 WeakPolarHBondContact O-CB 3.41Å; D141-R145 WeakPolarHBondContact O-CG 3.06Å; D141-R145 PolarHBondContact O-N 3.38Å
142F84.5Confident84.8Confident42 Ų4278.8 Ų78.818%0.18440%0.401CS..Hα-helixtrans-60-35.8-173.6-167.5-95.1000112I138 L139 N144 A146 L150 R152I138-F142 HydrophobicContact CG2-CD2 4.13Å; I138-F142 HydrophobicContact CG2-CE2 4.4Å; I138-F142 VanDerWaalsContact O-CA 3.28Å; I138-F142 WeakPolarHBondContact O-CA 3.46Å; I138-F142 PolarHBondContact O-N 3.01Å; I138-F142 VanDerWaalsContact O-N 3.14Å; L139-F142 HydrophobicContact CD2-CD2 4.2Å; F142-N144 VanDerWaalsContact C-N 3.34Å; F142-N144 PolarHBondContact O-N 3.26Å; F142-A146 HydrophobicContact CD1-CB 3.95Å; F142-A146 HydrophobicContact CD2-CB 3.8Å; F142-A146 HydrophobicContact CE1-CB 3.77Å; F142-A146 HydrophobicContact CE2-CB 3.62Å; F142-A146 HydrophobicContact CG-CB 3.96Å; F142-A146 HydrophobicContact CZ-CB 3.6Å; F142-A146 WeakPolarHBondContact O-CB 3.3Å; F142-A146 PolarHBondContact O-N 3.22Å; F142-L150 WeakPolarHBondContact CZ-O 3.24Å; F142-R152 HydrophobicContact CD1-CB 4.46Å; F142-R152 HydrophobicContact CD2-CB 4.34Å; F142-R152 HydrophobicContact CD2-CG 4.21Å; F142-R152 HydrophobicContact CE1-CB 4.03Å; F142-R152 HydrophobicContact CE2-CB 3.9Å; F142-R152 HydrophobicContact CE2-CG 4.2Å; F142-R152 HydrophobicContact CG-CG 4.48Å; F142-R152 HydrophobicContact CZ-CB 3.73Å; F142-R152 HydrophobicContact CZ-CG 4.47Å
143K81.2Confident84.6Confident175 Ų17580.9 Ų80.976%0.76142%0.416SS*.Hα-helixtrans-63.3-38.9-176.8-68.8179-177.5168.50112.4D141D141-K143 PolarHBondContact O-N 2.84Å
144N84.4Confident84.5Confident130 Ų13078 Ų7870%0.69541%0.412SS*.Hα-helixtrans-98.3-19-176.3-61.4-42.7000113.6D141 F142D141-N144 PolarHBondContact O-N 3.4Å; D141-N144 PolarHBondContact OD1-N 3.31Å; D141-N144 PolarHBondContact OD1-ND2 3.45Å; D141-N144 WeakPolarHBondContact OD2-CB 3.23Å; D141-N144 PolarHBondContact OD2-ND2 3.08Å; F142-N144 VanDerWaalsContact C-N 3.34Å; F142-N144 PolarHBondContact O-N 3.26Å
145R83.2Confident84.5Confident88 Ų8873.3 Ų73.333%0.33239%0.387SS..Hα-helixtrans-114.2-17.4-170-59176.9-177.9172.69.2114.4Y137 S140 D141Y137-R145 HydrophobicContact CE1-CG 4.27Å; Y137-R145 VanDerWaalsContact CE2-CZ 3.49Å; Y137-R145 WeakPolarHBondContact O-CD 3.24Å; Y137-R145 PolarHBondContact O-NH1 3.36Å; S140-R145 PolarHBondContact OG-NH1 3.22Å; D141-R145 HydrophobicContact CB-CG 4.27Å; D141-R145 VanDerWaalsContact O-CB 3.26Å; D141-R145 WeakPolarHBondContact O-CB 3.41Å; D141-R145 WeakPolarHBondContact O-CG 3.06Å; D141-R145 PolarHBondContact O-N 3.38Å
146A78.6Confident84.5Confident26 Ų2671.5 Ų71.522%0.21538%0.382CS..SBendtrans-72.6134178.400000110.6I138 F142I138-A146 HydrophobicContact CG2-CB 4.28Å; F142-A146 HydrophobicContact CD1-CB 3.95Å; F142-A146 HydrophobicContact CD2-CB 3.8Å; F142-A146 HydrophobicContact CE1-CB 3.77Å; F142-A146 HydrophobicContact CE2-CB 3.62Å; F142-A146 HydrophobicContact CG-CB 3.96Å; F142-A146 HydrophobicContact CZ-CB 3.6Å; F142-A146 WeakPolarHBondContact O-CB 3.3Å; F142-A146 PolarHBondContact O-N 3.22Å
147P81.1Confident84.7Confident72 Ų7276.3 Ų76.347%0.46840%0.398SS..  trans-56.9148162.4-19.331.1000110.4D149 L150P147-D149 PolarHBondContact O-N 3.34Å; P147-L150 HydrophobicContact CG-CD2 4.45Å; P147-L150 PolarHBondContact O-N 2.93Å; P147-L150 VanDerWaalsContact O-N 3.14Å
148A74.2Confident84.8Confident105 Ų10571.4 Ų71.487%0.86838%0.382SS*.THydrogen-bonded Turntrans-56.3-26.5-174.400000114.4
149D77.8Confident85.1Confident160 Ų16070.1 Ų70.186%0.85638%0.376SS*.THydrogen-bonded Turntrans-97.15.9-174.2-56-40000114P147P147-D149 PolarHBondContact O-N 3.34Å
150L81.1Confident85.3Confident58 Ų5870.3 Ų70.330%0.30438%0.377SS..  trans-94.8126.8-174.5-124.170.3000112.3W135 F142 P147 C155W135-L150 HydrophobicContact CH2-CD2 4.14Å; W135-L150 HydrophobicContact CZ3-CD2 3.68Å; F142-L150 WeakPolarHBondContact CZ-O 3.24Å; P147-L150 HydrophobicContact CG-CD2 4.45Å; P147-L150 PolarHBondContact O-N 2.93Å; P147-L150 VanDerWaalsContact O-N 3.14Å; L150-C155 WeakPolarHBondContact CD2-SG 3.38Å
151N85.4Confident85.7Confident98 Ų9870 Ų7052%0.52438%0.375SS..  trans-85.4130.6170.5-168.6-13.4000110.4S153 L154 C155N151-S153 VanDerWaalsContact C-N 3.28Å; N151-S153 VanDerWaalsContact CG-OG 3.28Å; N151-S153 PolarHBondContact ND2-OG 3.09Å; N151-S153 PolarHBondContact O-N 3.3Å; N151-S153 PolarHBondContact OD1-N 3.34Å; N151-S153 PolarHBondContact OD1-OG 3.04Å; N151-L154 HydrophobicContact CB-CB 4.33Å; N151-L154 PolarHBondContact O-N 3.45Å; N151-C155 PolarHBondContact O-N 2.91Å; N151-C155 PolarHBondContact O-SG 3.46Å
152R86.3Confident86Confident61 Ų6167.6 Ų67.623%0.2336%0.362CS..Hα-helixtrans-58-39.7178.6-172.5176178.9134.92.7112D80 L139 F142 L154 C155 V156D80-R152 PolarHBondContact O-NH1 3.42Å; D80-R152 PolarHBondContact O-NH2 3.26Å; L139-R152 HydrophobicContact CD2-CG 4.11Å; F142-R152 HydrophobicContact CD1-CB 4.46Å; F142-R152 HydrophobicContact CD2-CB 4.34Å; F142-R152 HydrophobicContact CD2-CG 4.21Å; F142-R152 HydrophobicContact CE1-CB 4.03Å; F142-R152 HydrophobicContact CE2-CB 3.9Å; F142-R152 HydrophobicContact CE2-CG 4.2Å; F142-R152 HydrophobicContact CG-CG 4.48Å; F142-R152 HydrophobicContact CZ-CB 3.73Å; F142-R152 HydrophobicContact CZ-CG 4.47Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3.07Å; R152-C155 WeakPolarHBondContact O-CB 3.38Å; R152-C155 PolarHBondContact O-N 2.99Å; R152-V156 HydrophobicContact CG-CG2 4.48Å; R152-V156 WeakPolarHBondContact O-CG2 3.46Å; R152-V156 PolarHBondContact O-N 2.95Å
153S86.6Confident86.4Confident48 Ų4865.6 Ų65.634%0.33635%0.353SS..Hα-helixtrans-62.8-40.9-179.762.10000112.1N151 V156 R157N151-S153 VanDerWaalsContact C-N 3.28Å; N151-S153 VanDerWaalsContact CG-OG 3.28Å; N151-S153 PolarHBondContact ND2-OG 3.09Å; N151-S153 PolarHBondContact O-N 3.3Å; N151-S153 PolarHBondContact OD1-N 3.34Å; N151-S153 PolarHBondContact OD1-OG 3.04Å; S153-V156 PolarHBondContact O-N 2.84Å; S153-R157 WeakPolarHBondContact O-CG 3.18Å; S153-R157 PolarHBondContact O-N 3.29Å
154L88.7Confident87Confident103 Ų10358.3 Ų58.354%0.53932%0.324SS..Hα-helixtrans-66-39.7176.7-175.265.6000111.7N151 R152 V156 R157 T158N151-L154 HydrophobicContact CB-CB 4.33Å; N151-L154 PolarHBondContact O-N 3.45Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3.07Å; L154-V156 VanDerWaalsContact C-N 3.34Å; L154-R157 PolarHBondContact O-N 2.89Å; L154-T158 WeakPolarHBondContact O-CB 3.49Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 3.32Å
155C89.1Confident87.4Confident2 Ų255.1 Ų55.11%0.01431%0.312CS..Hα-helixtrans-61.1-45.6175.9-60.70000111.2W135 L139 L150 N151 R152 T158 L159W135-C155 HydrophobicContact CE3-CB 4.27Å; W135-C155 HydrophobicContact CZ3-CB 4.38Å; L139-C155 HydrophobicContact CD2-CB 4Å; L139-C155 HydrophobicContact CG-CB 4.5Å; L150-C155 WeakPolarHBondContact CD2-SG 3.38Å; N151-C155 PolarHBondContact O-N 2.91Å; N151-C155 PolarHBondContact O-SG 3.46Å; R152-C155 WeakPolarHBondContact O-CB 3.38Å; R152-C155 PolarHBondContact O-N 2.99Å; C155-T158 PolarHBondContact O-N 3.49Å; C155-L159 WeakPolarHBondContact O-CB 3.48Å; C155-L159 PolarHBondContact O-N 2.59Å
156V90.4Very high87.7Confident10 Ų1054.5 Ų54.56%0.06131%0.309CS..Hα-helixtrans-65-46.7178.8172.30000111L84 L87 L139 R152 S153 L154 T158 L159 I160 L178L84-V156 HydrophobicContact CD1-CG1 4.15Å; L84-V156 HydrophobicContact CD2-CG1 3.63Å; L84-V156 HydrophobicContact CG-CG1 4.04Å; L87-V156 HydrophobicContact CD1-CG1 4.24Å; L139-V156 HydrophobicContact CD1-CG2 4.2Å; L139-V156 HydrophobicContact CD2-CG2 3.92Å; R152-V156 HydrophobicContact CG-CG2 4.48Å; R152-V156 WeakPolarHBondContact O-CG2 3.46Å; R152-V156 PolarHBondContact O-N 2.95Å; S153-V156 PolarHBondContact O-N 2.84Å; L154-V156 VanDerWaalsContact C-N 3.34Å; V156-T158 VanDerWaalsContact C-N 3.32Å; V156-T158 PolarHBondContact O-N 2.9Å; V156-L159 PolarHBondContact O-N 3.2Å; V156-I160 HydrophobicContact CG1-CD1 3.84Å; V156-I160 WeakPolarHBondContact O-CG1 3.33Å; V156-I160 PolarHBondContact O-N 3.05Å; V156-L178 HydrophobicContact CG1-CD2 4.34Å
157R92.1Very high88.3Confident133 Ų13353.7 Ų53.750%0.50230%0.301SS..Hα-helixtrans-59.3-42176.1-75.7-179.165.7148.34.4112.4S153 L154 I160 S161S153-R157 WeakPolarHBondContact O-CG 3.18Å; S153-R157 PolarHBondContact O-N 3.29Å; L154-R157 PolarHBondContact O-N 2.89Å; R157-I160 PolarHBondContact O-N 2.83Å; R157-S161 PolarHBondContact O-N 3.19Å
158T91.6Very high88.8Confident38 Ų3855.7 Ų55.723%0.23332%0.316CS..Hα-helixtrans-66.6-44.7177.6-52.50000110.9W135 L154 C155 V156 I160 S161 D162W135-T158 HydrophobicContact CZ2-CG2 4.15Å; L154-T158 WeakPolarHBondContact O-CB 3.49Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 3.32Å; C155-T158 PolarHBondContact O-N 3.49Å; V156-T158 VanDerWaalsContact C-N 3.32Å; V156-T158 PolarHBondContact O-N 2.9Å; T158-I160 VanDerWaalsContact C-N 3.34Å; T158-I160 PolarHBondContact O-N 2.81Å; T158-S161 WeakPolarHBondContact O-CB 3.34Å; T158-S161 PolarHBondContact O-N 2.95Å; T158-D162 PolarHBondContact O-N 2.98Å
159L92.2Very high89.6Confident1 Ų153.2 Ų53.21%0.00529%0.285CS..Hα-helixtrans-57.6-45.7174.9173.864.4000111.6I132 W135 L136 L139 C155 V156 S161 D162 L163 L178I132-L159 HydrophobicContact CG2-CD1 4.07Å; W135-L159 HydrophobicContact CB-CB 4.21Å; W135-L159 HydrophobicContact CB-CD1 3.97Å; W135-L159 HydrophobicContact CG-CB 4.46Å; L136-L159 HydrophobicContact CD2-CD1 4.48Å; L136-L159 HydrophobicContact CD2-CD2 3.9Å; L136-L159 HydrophobicContact CG-CD1 4.35Å; L139-L159 HydrophobicContact CD1-CB 4.5Å; L139-L159 HydrophobicContact CD1-CD2 3.61Å; C155-L159 WeakPolarHBondContact O-CB 3.48Å; C155-L159 PolarHBondContact O-N 2.59Å; V156-L159 PolarHBondContact O-N 3.2Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 2.85Å; L159-D162 WeakPolarHBondContact O-CB 3.5Å; L159-D162 PolarHBondContact O-N 3.22Å; L159-L163 HydrophobicContact CD1-CD1 3.89Å; L159-L163 HydrophobicContact CD1-CG 3.97Å; L159-L163 HydrophobicContact CD2-CD1 4.46Å; L159-L163 HydrophobicContact CG-CD1 3.84Å; L159-L163 HydrophobicContact CG-CG 4.33Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 VanDerWaalsContact O-CG 3.27Å; L159-L163 WeakPolarHBondContact O-CG 3.35Å; L159-L163 PolarHBondContact O-N 3.3Å; L159-L178 HydrophobicContact CD2-CD1 4.43Å
160I92.7Very high90.3Very high7 Ų750.9 Ų50.94%0.03627%0.273CS..Hα-helixtrans-60.1-46177.1-69.5162.4000110.3L84 V156 R157 T158 D162 L163 C164 Q171 M174 V175 L178L84-I160 HydrophobicContact CD2-CD1 3.85Å; V156-I160 HydrophobicContact CG1-CD1 3.84Å; V156-I160 WeakPolarHBondContact O-CG1 3.33Å; V156-I160 PolarHBondContact O-N 3.05Å; R157-I160 PolarHBondContact O-N 2.83Å; T158-I160 VanDerWaalsContact C-N 3.34Å; T158-I160 PolarHBondContact O-N 2.81Å; I160-D162 VanDerWaalsContact C-N 3.28Å; I160-D162 PolarHBondContact O-N 3.31Å; I160-L163 PolarHBondContact O-N 3.43Å; I160-C164 WeakPolarHBondContact O-CB 3.38Å; I160-C164 PolarHBondContact O-N 3.2Å; I160-C164 PolarHBondContact O-SG 3.18Å; I160-Q171 HydrophobicContact CG2-CG 4.02Å; I160-M174 HydrophobicContact CG2-CB 4.33Å; I160-M174 HydrophobicContact CG2-CG 4.03Å; I160-V175 HydrophobicContact CD1-CG2 3.91Å; I160-L178 HydrophobicContact CD1-CD2 4.33Å; I160-L178 HydrophobicContact CG1-CD2 4.05Å
161S92.7Very high90.8Very high62 Ų6253.7 Ų53.743%0.43428%0.284SS..Hα-helixtrans-58.9-40177.3-165.30000112.4R157 T158 L159 S165R157-S161 PolarHBondContact O-N 3.19Å; T158-S161 WeakPolarHBondContact O-CB 3.34Å; T158-S161 PolarHBondContact O-N 2.95Å; L159-S161 VanDerWaalsContact C-N 3.34Å; L159-S161 PolarHBondContact O-N 2.85Å; S161-S165 WeakPolarHBondContact O-CB 3.16Å; S161-S165 PolarHBondContact O-N 3.43Å; S161-S165 PolarHBondContact O-OG 3.33Å
162D92.9Very high91.1Very high0 Ų055.4 Ų55.40%029%0.287CS..Hα-helixtrans-67.1-48.3177.8-65.1-5.8000111.6L128 R131 I132 W135 T158 L159 I160 C164 S165 R166L128-D162 HydrophobicContact CD2-CB 4.1Å; R131-D162 WeakPolarHBondContact CG-OD2 3.28Å; R131-D162 IonicContact CZ-OD1 3.32Å; R131-D162 VanDerWaalsContact CZ-OD1 3.28Å; R131-D162 IonicContact CZ-OD2 3.27Å; R131-D162 VanDerWaalsContact NE-CG 3.31Å; R131-D162 IonicContact NE-OD1 3.33Å; R131-D162 PolarHBondContact NE-OD1 3.03Å; R131-D162 IonicContact NE-OD2 2.58Å; R131-D162 PolarHBondContact NE-OD2 2.94Å; R131-D162 IonicContact NH2-OD1 2.6Å; R131-D162 PolarHBondContact NH2-OD1 3.27Å; R131-D162 IonicContact NH2-OD2 3.28Å; I132-D162 HydrophobicContact CD1-CB 4.28Å; I132-D162 HydrophobicContact CG1-CB 3.71Å; W135-D162 PolarHBondContact NE1-OD2 3.33Å; T158-D162 PolarHBondContact O-N 2.98Å; L159-D162 WeakPolarHBondContact O-CB 3.5Å; L159-D162 PolarHBondContact O-N 3.22Å; I160-D162 VanDerWaalsContact C-N 3.28Å; I160-D162 PolarHBondContact O-N 3.31Å; D162-C164 VanDerWaalsContact C-N 3.35Å; D162-C164 PolarHBondContact O-N 2.64Å; D162-S165 PolarHBondContact O-N 3.24Å; D162-R166 WeakPolarHBondContact O-CB 3.36Å; D162-R166 PolarHBondContact O-N 3.37Å
163L92.5Very high91.4Very high0 Ų056.4 Ų56.40%030%0.297CS..Hα-helixtrans-62-43.3178.7-69.1170.7000111.2I132 L159 I160 S165 R166 Y167 M174 I185 V186 L189I132-L163 HydrophobicContact CD1-CD2 3.94Å; I132-L163 HydrophobicContact CG1-CD2 4.23Å; I132-L163 HydrophobicContact CG2-CD2 3.82Å; L159-L163 HydrophobicContact CD1-CD1 3.89Å; L159-L163 HydrophobicContact CD1-CG 3.97Å; L159-L163 HydrophobicContact CD2-CD1 4.46Å; L159-L163 HydrophobicContact CG-CD1 3.84Å; L159-L163 HydrophobicContact CG-CG 4.33Å; L159-L163 WeakPolarHBondContact O-CB 3.44Å; L159-L163 VanDerWaalsContact O-CG 3.27Å; L159-L163 WeakPolarHBondContact O-CG 3.35Å; L159-L163 PolarHBondContact O-N 3.3Å; I160-L163 PolarHBondContact O-N 3.43Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-S165 PolarHBondContact O-N 3.1Å; L163-R166 PolarHBondContact O-N 3.34Å; L163-Y167 HydrophobicContact CD2-CD2 4.31Å; L163-Y167 HydrophobicContact CD2-CE2 4.09Å; L163-Y167 PolarHBondContact O-N 3.46Å; L163-M174 HydrophobicContact CB-CE 3.62Å; L163-M174 HydrophobicContact CB-CG 4.06Å; L163-M174 HydrophobicContact CB-SD 3.53Å; L163-M174 VanDerWaalsContact CB-SD 3.53Å; L163-M174 HydrophobicContact CD1-CG 4.43Å; L163-M174 HydrophobicContact CD1-SD 3.72Å; L163-M174 HydrophobicContact CG-SD 4.22Å; L163-I185 HydrophobicContact CD1-CG1 4.09Å; L163-I185 HydrophobicContact CD1-CG2 4.49Å; L163-V186 HydrophobicContact CD2-CG2 4.45Å; L163-L189 HydrophobicContact CD2-CD1 3.84Å
164C93.5Very high91.8Very high23 Ų2354.1 Ų54.116%0.15528%0.281CS..Hα-helixtrans-60.7-42.2174.3-69.10000111.7I160 D162 R166 S168 Y169 M174I160-C164 WeakPolarHBondContact O-CB 3.38Å; I160-C164 PolarHBondContact O-N 3.2Å; I160-C164 PolarHBondContact O-SG 3.18Å; D162-C164 VanDerWaalsContact C-N 3.35Å; D162-C164 PolarHBondContact O-N 2.64Å; C164-R166 VanDerWaalsContact C-N 3.34Å; C164-R166 PolarHBondContact O-N 2.78Å; C164-S168 VanDerWaalsContact O-CA 3.24Å; C164-S168 WeakPolarHBondContact O-CA 3.3Å; C164-S168 PolarHBondContact O-N 3.46Å; C164-Y169 WeakPolarHBondContact CB-O 3.48Å; C164-Y169 PolarHBondContact SG-O 3.38Å; C164-M174 VanDerWaalsContact SG-CB 3.59Å
165S91.7Very high92Very high62 Ų6250.1 Ų50.143%0.43426%0.261SS..Hα-helixtrans-69.3-31.6178.4-58.70000112.7S161 D162 L163S161-S165 WeakPolarHBondContact O-CB 3.16Å; S161-S165 PolarHBondContact O-N 3.43Å; S161-S165 PolarHBondContact O-OG 3.33Å; D162-S165 PolarHBondContact O-N 3.24Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-S165 PolarHBondContact O-N 3.1Å
166R90.9Very high92.2Very high75 Ų7553.5 Ų53.528%0.28328%0.275SS..Hα-helixtrans-80.3-43.1-177.4177.855.3-174.880.76.3114.2L128 N129 I132 D162 L163 C164L128-R166 HydrophobicContact CD2-CB 3.68Å; L128-R166 HydrophobicContact CD2-CG 4.29Å; N129-R166 WeakPolarHBondContact OD1-CD 3.4Å; N129-R166 PolarHBondContact OD1-NE 2.83Å; I132-R166 HydrophobicContact CD1-CB 3.97Å; I132-R166 HydrophobicContact CD1-CG 4.12Å; D162-R166 WeakPolarHBondContact O-CB 3.36Å; D162-R166 PolarHBondContact O-N 3.37Å; L163-R166 PolarHBondContact O-N 3.34Å; C164-R166 VanDerWaalsContact C-N 3.34Å; C164-R166 PolarHBondContact O-N 2.78Å
167Y90.7Very high92.3Very high9 Ų954.1 Ų54.14%0.03528%0.278CS..Hα-helixtrans-111.63-171.2-64.5-79.6000112.4L163 Y169 L189 E190 E193L163-Y167 HydrophobicContact CD2-CD2 4.31Å; L163-Y167 HydrophobicContact CD2-CE2 4.09Å; L163-Y167 PolarHBondContact O-N 3.46Å; Y167-Y169 VanDerWaalsContact CB-CD2 3.46Å; Y167-Y169 VanDerWaalsContact O-CD2 3.22Å; Y167-Y169 WeakPolarHBondContact O-CD2 3.38Å; Y167-Y169 PolarHBondContact O-N 3.44Å; Y167-L189 HydrophobicContact CD1-CB 3.95Å; Y167-L189 HydrophobicContact CD2-CB 4.02Å; Y167-L189 HydrophobicContact CD2-CD1 3.67Å; Y167-L189 HydrophobicContact CD2-CG 4.34Å; Y167-L189 HydrophobicContact CE1-CB 3.88Å; Y167-L189 HydrophobicContact CE2-CB 3.94Å; Y167-L189 HydrophobicContact CE2-CD1 3.85Å; Y167-L189 HydrophobicContact CG-CB 4.03Å; Y167-L189 HydrophobicContact CG-CD1 4.29Å; Y167-E190 HydrophobicContact CE1-CG 4.35Å; Y167-E190 WeakPolarHBondContact OH-CG 3.3Å; Y167-E193 HydrophobicContact CD1-CG 3.93Å; Y167-E193 HydrophobicContact CE1-CG 4.18Å
168S90.9Very high92.3Very high114 Ų11448 Ų4880%0.79726%0.255SS*.  trans58.832.1176.3-52.80000114.3C164C164-S168 VanDerWaalsContact O-CA 3.24Å; C164-S168 WeakPolarHBondContact O-CA 3.3Å; C164-S168 PolarHBondContact O-N 3.46Å
169Y91.3Very high92.3Very high53 Ų5349.5 Ų49.521%0.20826%0.262CS..  trans-85.5150.6174-79.2-98.9000111.4C164 Y167 L173 M174 L177 L189 N192C164-Y169 WeakPolarHBondContact CB-O 3.48Å; C164-Y169 PolarHBondContact SG-O 3.38Å; Y167-Y169 VanDerWaalsContact CB-CD2 3.46Å; Y167-Y169 VanDerWaalsContact O-CD2 3.22Å; Y167-Y169 WeakPolarHBondContact O-CD2 3.38Å; Y167-Y169 PolarHBondContact O-N 3.44Å; Y169-L173 HydrophobicContact CD1-CD2 3.55Å; Y169-L173 HydrophobicContact CD1-CG 3.9Å; Y169-L173 HydrophobicContact CE1-CD2 3.83Å; Y169-L173 HydrophobicContact CE1-CG 4.37Å; Y169-M174 HydrophobicContact CD2-CE 4.07Å; Y169-M174 HydrophobicContact CG-CE 3.9Å; Y169-L177 HydrophobicContact CD1-CD1 3.99Å; Y169-L177 HydrophobicContact CE1-CD1 3.81Å; Y169-L189 HydrophobicContact CD2-CD2 3.74Å; Y169-L189 HydrophobicContact CE1-CD2 4.27Å; Y169-L189 HydrophobicContact CE2-CD2 3.35Å; Y169-L189 HydrophobicContact CG-CD2 4.35Å; Y169-N192 WeakPolarHBondContact OH-CB 3.17Å; Y169-N192 PolarHBondContact OH-ND2 3.4Å
170N92.5Very high92.3Very high112 Ų11255.2 Ų55.260%0.59929%0.291SS*.  trans-67.7141.8166.4-178.3-15.5000109.8F172 L173 M174N170-F172 VanDerWaalsContact C-N 3.26Å; N170-F172 PolarHBondContact O-N 3.2Å; N170-F172 PolarHBondContact OD1-N 3.32Å; N170-F172 VanDerWaalsContact OD1-N 3.1Å; N170-L173 PolarHBondContact O-N 3.3Å; N170-L173 VanDerWaalsContact O-N 3.1Å; N170-M174 PolarHBondContact O-N 2.88Å
171Q91.8Very high92.3Very high116 Ų11658.5 Ų58.554%0.54231%0.306SS..Hα-helixtrans-49.4-43.7174.7-175.5173.3-7.400112.9I160 L173 M174 V175I160-Q171 HydrophobicContact CG2-CG 4.02Å; Q171-L173 PolarHBondContact O-N 3.39Å; Q171-M174 PolarHBondContact O-N 3.32Å; Q171-V175 HydrophobicContact CG-CG2 4.49Å; Q171-V175 WeakPolarHBondContact O-CG2 3.32Å; Q171-V175 PolarHBondContact O-N 3.04Å
172F92.8Very high92Very high135 Ų13557.4 Ų57.459%0.59230%0.297SS*.Hα-helixtrans-57.5-48.8177.9173.9-99.2000112.1N170 M174 V175 K176N170-F172 VanDerWaalsContact C-N 3.26Å; N170-F172 PolarHBondContact O-N 3.2Å; N170-F172 PolarHBondContact OD1-N 3.32Å; N170-F172 VanDerWaalsContact OD1-N 3.1Å; F172-M174 VanDerWaalsContact C-N 3.34Å; F172-V175 PolarHBondContact O-N 3.13Å; F172-K176 HydrophobicContact CE1-CG 4.48Å; F172-K176 HydrophobicContact CZ-CG 4.3Å; F172-K176 WeakPolarHBondContact O-CG 3.31Å; F172-K176 PolarHBondContact O-N 3.05Å
173L92.6Very high91.8Very high81 Ų8163.8 Ų63.842%0.42433%0.325SS..Hα-helixtrans-68.7-36.3180-177.655.3000111.2Y169 N170 Q171 K176 L177Y169-L173 HydrophobicContact CD1-CD2 3.55Å; Y169-L173 HydrophobicContact CD1-CG 3.9Å; Y169-L173 HydrophobicContact CE1-CD2 3.83Å; Y169-L173 HydrophobicContact CE1-CG 4.37Å; N170-L173 PolarHBondContact O-N 3.3Å; N170-L173 VanDerWaalsContact O-N 3.1Å; Q171-L173 PolarHBondContact O-N 3.39Å; L173-K176 PolarHBondContact O-N 3.15Å; L173-L177 HydrophobicContact CD1-CD1 4.39Å; L173-L177 HydrophobicContact CD1-CG 4.2Å; L173-L177 HydrophobicContact CG-CD1 4.08Å; L173-L177 HydrophobicContact CG-CG 4.35Å; L173-L177 WeakPolarHBondContact O-CB 3.2Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.28Å
174M93.5Very high91.7Very high0 Ų068.9 Ų68.90%035%0.349CS..Hα-helixtrans-64.3-43.2177.6-173.15762.300112.1I160 L163 C164 Y169 N170 Q171 F172 L177 L178 I185 L189I160-M174 HydrophobicContact CG2-CB 4.33Å; I160-M174 HydrophobicContact CG2-CG 4.03Å; L163-M174 HydrophobicContact CB-CE 3.62Å; L163-M174 HydrophobicContact CB-CG 4.06Å; L163-M174 HydrophobicContact CB-SD 3.53Å; L163-M174 VanDerWaalsContact CB-SD 3.53Å; L163-M174 HydrophobicContact CD1-CG 4.43Å; L163-M174 HydrophobicContact CD1-SD 3.72Å; L163-M174 HydrophobicContact CG-SD 4.22Å; C164-M174 VanDerWaalsContact SG-CB 3.59Å; Y169-M174 HydrophobicContact CD2-CE 4.07Å; Y169-M174 HydrophobicContact CG-CE 3.9Å; N170-M174 PolarHBondContact O-N 2.88Å; Q171-M174 PolarHBondContact O-N 3.32Å; F172-M174 VanDerWaalsContact C-N 3.34Å; M174-L177 PolarHBondContact O-N 3.49Å; M174-L178 WeakPolarHBondContact O-CB 3.44Å; M174-L178 PolarHBondContact O-N 3.34Å; M174-I185 HydrophobicContact SD-CD1 4.4Å; M174-I185 HydrophobicContact SD-CG1 4.49Å; M174-L189 HydrophobicContact CE-CD1 3.88Å; M174-L189 HydrophobicContact CE-CD2 3.95Å; M174-L189 HydrophobicContact SD-CD1 4.06Å
175V93.4Very high91.7Very high20 Ų2067.8 Ų67.812%0.12134%0.341CS..Hα-helixtrans-58.4-49.8174.6171.70000110L84 I160 Q171 F172 L177 L178 D179L84-V175 HydrophobicContact CD2-CG1 4.19Å; I160-V175 HydrophobicContact CD1-CG2 3.91Å; Q171-V175 HydrophobicContact CG-CG2 4.49Å; Q171-V175 WeakPolarHBondContact O-CG2 3.32Å; Q171-V175 PolarHBondContact O-N 3.04Å; F172-V175 PolarHBondContact O-N 3.13Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.97Å; V175-L178 PolarHBondContact O-N 3.17Å; V175-D179 VanDerWaalsContact O-CG 3.31Å; V175-D179 PolarHBondContact O-N 3.44Å
176K92.7Very high91.7Very high73 Ų7365.9 Ų65.932%0.31733%0.327SS..Hα-helixtrans-64.4-35.5179-61.4-56.9172.8-154.20113.2E88 F172 L173 L180E88-K176 IonicContact OE1-NZ 2.87Å; E88-K176 PolarHBondContact OE1-NZ 3.12Å; F172-K176 HydrophobicContact CE1-CG 4.48Å; F172-K176 HydrophobicContact CZ-CG 4.3Å; F172-K176 WeakPolarHBondContact O-CG 3.31Å; F172-K176 PolarHBondContact O-N 3.05Å; L173-K176 PolarHBondContact O-N 3.15Å; K176-L180 VanDerWaalsContact O-CG 3.29Å; K176-L180 WeakPolarHBondContact O-CG 3.41Å; K176-L180 PolarHBondContact O-N 2.88Å; K176-L180 VanDerWaalsContact O-N 3.14Å
177L92.8Very high91.8Very high22 Ų2268.9 Ų68.912%0.11534%0.344CS..Hα-helixtrans-68.8-39.2175.1-74.2174000111.8Y169 L173 M174 V175 D179 L180 F181 I185 L189Y169-L177 HydrophobicContact CD1-CD1 3.99Å; Y169-L177 HydrophobicContact CE1-CD1 3.81Å; L173-L177 HydrophobicContact CD1-CD1 4.39Å; L173-L177 HydrophobicContact CD1-CG 4.2Å; L173-L177 HydrophobicContact CG-CD1 4.08Å; L173-L177 HydrophobicContact CG-CG 4.35Å; L173-L177 WeakPolarHBondContact O-CB 3.2Å; L173-L177 VanDerWaalsContact O-CG 3.28Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.28Å; M174-L177 PolarHBondContact O-N 3.49Å; V175-L177 VanDerWaalsContact C-N 3.34Å; V175-L177 PolarHBondContact O-N 2.97Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-L180 PolarHBondContact O-N 3.46Å; L177-F181 PolarHBondContact O-N 3.31Å; L177-I185 HydrophobicContact CB-CD1 3.66Å; L177-L189 HydrophobicContact CD1-CD2 4.02Å
178L92Very high91.9Very high6 Ų669.9 Ų69.93%0.03135%0.351CS..Hα-helixtrans-66.6-36.7176.7-170.467.9000111.5L84 V156 L159 I160 M174 V175 P182 I185L84-L178 HydrophobicContact CD1-CD2 4.48Å; L84-L178 HydrophobicContact CD2-CD2 4.22Å; V156-L178 HydrophobicContact CG1-CD2 4.34Å; L159-L178 HydrophobicContact CD2-CD1 4.43Å; I160-L178 HydrophobicContact CD1-CD2 4.33Å; I160-L178 HydrophobicContact CG1-CD2 4.05Å; M174-L178 WeakPolarHBondContact O-CB 3.44Å; M174-L178 PolarHBondContact O-N 3.34Å; V175-L178 PolarHBondContact O-N 3.17Å; L178-P182 VanDerWaalsContact O-CA 3.27Å; L178-P182 WeakPolarHBondContact O-CA 3.4Å; L178-P182 WeakPolarHBondContact O-CD 3.23Å; L178-I185 HydrophobicContact CD1-CB 4.1Å; L178-I185 HydrophobicContact CD1-CG1 4.08Å; L178-I185 HydrophobicContact CD1-CG2 4Å
179D91.5Very high92Very high69 Ų6964.5 Ų64.537%0.36931%0.313SS..Hα-helixtrans-64-38.8173.3-70.9-22.9000112.2L84 V175 L177L84-D179 WeakPolarHBondContact CB-OD1 3.15Å; V175-D179 VanDerWaalsContact O-CG 3.31Å; V175-D179 PolarHBondContact O-N 3.44Å; L177-D179 VanDerWaalsContact C-N 3.33Å
180L92.6Very high92Very high120 Ų12066 Ų6663%0.62832%0.323SS*.Hα-helixtrans-76.8-36.8179.9-71171.1000113K176 L177K176-L180 VanDerWaalsContact O-CG 3.29Å; K176-L180 WeakPolarHBondContact O-CG 3.41Å; K176-L180 PolarHBondContact O-N 2.88Å; K176-L180 VanDerWaalsContact O-N 3.14Å; L177-L180 PolarHBondContact O-N 3.46Å
181F92.2Very high92Very high77 Ų7763.7 Ų63.734%0.33832%0.318SS..  trans-13663-171.6-56.1-74000112.3L177 K183 E184 I185 V188L177-F181 PolarHBondContact O-N 3.31Å; F181-K183 VanDerWaalsContact C-N 3.34Å; F181-K183 PolarHBondContact O-N 3.48Å; F181-E184 HydrophobicContact CB-CB 4.43Å; F181-E184 PolarHBondContact O-N 3.06Å; F181-I185 WeakPolarHBondContact O-CA 3.01Å; F181-I185 VanDerWaalsContact O-CB 3.3Å; F181-I185 WeakPolarHBondContact O-CB 3.01Å; F181-I185 PolarHBondContact O-N 3.35Å; F181-V188 HydrophobicContact CB-CG2 4.07Å; F181-V188 HydrophobicContact CD1-CG2 4.17Å; F181-V188 HydrophobicContact CD2-CG1 4.27Å; F181-V188 HydrophobicContact CD2-CG2 3.99Å; F181-V188 HydrophobicContact CE2-CG2 4.49Å; F181-V188 HydrophobicContact CG-CG2 3.82Å
182P87.9Confident92Very high38 Ų3862.8 Ų62.825%0.24732%0.317CS..THydrogen-bonded Turntrans-62.8-36.9-170.522.5-33.6000113.8F81 L178F81-P182 HydrophobicContact CB-CB 4.15Å; F81-P182 HydrophobicContact CD1-CB 4.25Å; F81-P182 HydrophobicContact CD2-CB 3.74Å; F81-P182 HydrophobicContact CD2-CG 4.36Å; F81-P182 HydrophobicContact CE2-CB 4.15Å; F81-P182 HydrophobicContact CG-CB 3.79Å; L178-P182 VanDerWaalsContact O-CA 3.27Å; L178-P182 WeakPolarHBondContact O-CA 3.4Å; L178-P182 WeakPolarHBondContact O-CD 3.23Å
183K87.3Confident91.8Very high134 Ų13461.6 Ų61.658%0.58331%0.314SS*.THydrogen-bonded Turntrans-85.4-31.5179.7-67.4176.7175.5173.50112.9D79 F181D79-K183 WeakPolarHBondContact OD2-CE 3.43Å; D79-K183 IonicContact OD2-NZ 2.9Å; D79-K183 PolarHBondContact OD2-NZ 3.21Å; F181-K183 VanDerWaalsContact C-N 3.34Å; F181-K183 PolarHBondContact O-N 3.48Å
184E91.8Very high91.7Very high107 Ų10761.6 Ų61.650%0.532%0.317SS..THydrogen-bonded Turntrans-106.77.3-168.4-64.1168-178.800112.4F181 V186 E187 V188F181-E184 HydrophobicContact CB-CB 4.43Å; F181-E184 PolarHBondContact O-N 3.06Å; E184-V186 VanDerWaalsContact C-N 3.25Å; E184-V186 PolarHBondContact O-N 3.16Å; E184-V186 VanDerWaalsContact O-N 3.12Å; E184-E187 WeakPolarHBondContact O-CA 3.42Å; E184-E187 WeakPolarHBondContact O-CB 3.42Å; E184-E187 PolarHBondContact O-N 3.32Å; E184-V188 PolarHBondContact O-N 3.35Å
185I92.4Very high91.4Very high0 Ų068.9 Ų68.90%036%0.356CS..Hα-helixtrans-52.1-42.4-172.5-17356.4000112.8L136 L163 M174 L177 L178 F181 V188 L189L136-I185 HydrophobicContact CD1-CG2 4.42Å; L136-I185 HydrophobicContact CD2-CG2 3.83Å; L163-I185 HydrophobicContact CD1-CG1 4.09Å; L163-I185 HydrophobicContact CD1-CG2 4.49Å; M174-I185 HydrophobicContact SD-CD1 4.4Å; M174-I185 HydrophobicContact SD-CG1 4.49Å; L177-I185 HydrophobicContact CB-CD1 3.66Å; L178-I185 HydrophobicContact CD1-CB 4.1Å; L178-I185 HydrophobicContact CD1-CG1 4.08Å; L178-I185 HydrophobicContact CD1-CG2 4Å; F181-I185 WeakPolarHBondContact O-CA 3.01Å; F181-I185 VanDerWaalsContact O-CB 3.3Å; F181-I185 WeakPolarHBondContact O-CB 3.01Å; F181-I185 PolarHBondContact O-N 3.35Å; I185-V188 PolarHBondContact O-N 3.12Å; I185-L189 HydrophobicContact CD1-CD1 4.03Å; I185-L189 HydrophobicContact CD1-CG 4.18Å; I185-L189 HydrophobicContact CG1-CD1 3.83Å; I185-L189 HydrophobicContact CG1-CG 4.42Å; I185-L189 WeakPolarHBondContact O-CB 3.35Å; I185-L189 WeakPolarHBondContact O-CD1 3.5Å; I185-L189 WeakPolarHBondContact O-CG 3.08Å; I185-L189 PolarHBondContact O-N 2.55Å
186V92.2Very high91Very high23 Ų2376.9 Ų76.914%0.13938%0.384CS..Hα-helixtrans-67.1-40.1178.2173.40000111.1I132 L136 L163 E184 V188 L189 E190I132-V186 HydrophobicContact CG2-CG2 3.75Å; L136-V186 HydrophobicContact CD1-CB 4.42Å; L136-V186 HydrophobicContact CD1-CG2 3.33Å; L163-V186 HydrophobicContact CD2-CG2 4.45Å; E184-V186 VanDerWaalsContact C-N 3.25Å; E184-V186 PolarHBondContact O-N 3.16Å; E184-V186 VanDerWaalsContact O-N 3.12Å; V186-V188 VanDerWaalsContact C-N 3.35Å; V186-L189 PolarHBondContact O-N 3.44Å; V186-E190 HydrophobicContact CG1-CG 4.09Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.37Å; V186-E190 VanDerWaalsContact O-CB 3.27Å; V186-E190 WeakPolarHBondContact O-CB 3.48Å; V186-E190 VanDerWaalsContact O-CG 3.23Å; V186-E190 WeakPolarHBondContact O-CG 3.23Å; V186-E190 PolarHBondContact O-N 3.49Å
187E92Very high90.8Very high138 Ų13876 Ų7665%0.64539%0.385SS*.Hα-helixtrans-66.1-40.1178.9-57.9-169.2179.200111.4E184 A191E184-E187 WeakPolarHBondContact O-CA 3.42Å; E184-E187 WeakPolarHBondContact O-CB 3.42Å; E184-E187 PolarHBondContact O-N 3.32Å; E187-A191 WeakPolarHBondContact O-CB 3.46Å; E187-A191 PolarHBondContact O-N 2.57Å
188V93.1Very high90.8Very high30 Ų3078.3 Ų78.318%0.18240%0.4CS..Hα-helixtrans-64.6-46176.2174.50000111F181 E184 I185 V186 A191 N192F181-V188 HydrophobicContact CB-CG2 4.07Å; F181-V188 HydrophobicContact CD1-CG2 4.17Å; F181-V188 HydrophobicContact CD2-CG1 4.27Å; F181-V188 HydrophobicContact CD2-CG2 3.99Å; F181-V188 HydrophobicContact CE2-CG2 4.49Å; F181-V188 HydrophobicContact CG-CG2 3.82Å; E184-V188 PolarHBondContact O-N 3.35Å; I185-V188 PolarHBondContact O-N 3.12Å; V186-V188 VanDerWaalsContact C-N 3.35Å; V188-A191 PolarHBondContact O-N 3.12Å; V188-N192 PolarHBondContact O-N 2.89Å; V188-N192 PolarHBondContact O-ND2 2.86Å; V188-N192 VanDerWaalsContact O-ND2 3.12Å
189L92.9Very high90.9Very high0 Ų078.3 Ų78.30%040%0.401CS..Hα-helixtrans-65.4-46.5178-68168.4000111.2L163 Y167 Y169 M174 L177 I185 V186 A191 N192 E193L163-L189 HydrophobicContact CD2-CD1 3.84Å; Y167-L189 HydrophobicContact CD1-CB 3.95Å; Y167-L189 HydrophobicContact CD2-CB 4.02Å; Y167-L189 HydrophobicContact CD2-CD1 3.67Å; Y167-L189 HydrophobicContact CD2-CG 4.34Å; Y167-L189 HydrophobicContact CE1-CB 3.88Å; Y167-L189 HydrophobicContact CE2-CB 3.94Å; Y167-L189 HydrophobicContact CE2-CD1 3.85Å; Y167-L189 HydrophobicContact CG-CB 4.03Å; Y167-L189 HydrophobicContact CG-CD1 4.29Å; Y169-L189 HydrophobicContact CD2-CD2 3.74Å; Y169-L189 HydrophobicContact CE1-CD2 4.27Å; Y169-L189 HydrophobicContact CE2-CD2 3.35Å; Y169-L189 HydrophobicContact CG-CD2 4.35Å; M174-L189 HydrophobicContact CE-CD1 3.88Å; M174-L189 HydrophobicContact CE-CD2 3.95Å; M174-L189 HydrophobicContact SD-CD1 4.06Å; L177-L189 HydrophobicContact CD1-CD2 4.02Å; I185-L189 HydrophobicContact CD1-CD1 4.03Å; I185-L189 HydrophobicContact CD1-CG 4.18Å; I185-L189 HydrophobicContact CG1-CD1 3.83Å; I185-L189 HydrophobicContact CG1-CG 4.42Å; I185-L189 WeakPolarHBondContact O-CB 3.35Å; I185-L189 WeakPolarHBondContact O-CD1 3.5Å; I185-L189 WeakPolarHBondContact O-CG 3.08Å; I185-L189 PolarHBondContact O-N 2.55Å; V186-L189 PolarHBondContact O-N 3.44Å; L189-A191 VanDerWaalsContact C-N 3.28Å; L189-A191 PolarHBondContact O-N 2.94Å; L189-N192 PolarHBondContact O-N 2.63Å; L189-N192 VanDerWaalsContact O-N 3.16Å; L189-E193 PolarHBondContact O-N 3.46Å
190E92.2Very high91Very high86 Ų8675 Ų7540%0.40238%0.383SS..Hα-helixtrans-61.3-35.3175.1-73.9-176.4179.100112.2Y167 V186 E193 V194Y167-E190 HydrophobicContact CE1-CG 4.35Å; Y167-E190 WeakPolarHBondContact OH-CG 3.3Å; V186-E190 HydrophobicContact CG1-CG 4.09Å; V186-E190 WeakPolarHBondContact CG1-OE1 3.37Å; V186-E190 VanDerWaalsContact O-CB 3.27Å; V186-E190 WeakPolarHBondContact O-CB 3.48Å; V186-E190 VanDerWaalsContact O-CG 3.23Å; V186-E190 WeakPolarHBondContact O-CG 3.23Å; V186-E190 PolarHBondContact O-N 3.49Å; E190-E193 PolarHBondContact O-N 2.86Å; E190-V194 WeakPolarHBondContact O-CG2 3.43Å
191A91.9Very high91.1Very high62 Ų6269.6 Ų69.651%0.51235%0.354SS..Hα-helixtrans-69.7-32.6176.400000112.7E187 V188 L189 E193 V194E187-A191 WeakPolarHBondContact O-CB 3.46Å; E187-A191 PolarHBondContact O-N 2.57Å; V188-A191 PolarHBondContact O-N 3.12Å; L189-A191 VanDerWaalsContact C-N 3.28Å; L189-A191 PolarHBondContact O-N 2.94Å; A191-E193 VanDerWaalsContact C-N 3.34Å; A191-V194 PolarHBondContact O-N 3.44Å
192N91.5Very high91.1Very high97 Ų9766 Ų6652%0.51934%0.338SS..Hα-helixtrans-73-25.5176.4-74.1-38000113.1Y169 V188 L189 V194Y169-N192 WeakPolarHBondContact OH-CB 3.17Å; Y169-N192 PolarHBondContact OH-ND2 3.4Å; V188-N192 PolarHBondContact O-N 2.89Å; V188-N192 PolarHBondContact O-ND2 2.86Å; V188-N192 VanDerWaalsContact O-ND2 3.12Å; L189-N192 PolarHBondContact O-N 2.63Å; L189-N192 VanDerWaalsContact O-N 3.16Å; N192-V194 VanDerWaalsContact C-N 3.25Å; N192-V194 PolarHBondContact O-N 3.47Å
193E89.8Confident91.3Very high111 Ų11164.4 Ų64.452%0.51933%0.328SS..THydrogen-bonded Turntrans-73.5-16.1172.5-68.2-67.5158.700112.9Y167 L189 E190 A191Y167-E193 HydrophobicContact CD1-CG 3.93Å; Y167-E193 HydrophobicContact CE1-CG 4.18Å; L189-E193 PolarHBondContact O-N 3.46Å; E190-E193 PolarHBondContact O-N 2.86Å; A191-E193 VanDerWaalsContact C-N 3.34Å
194V89.2Confident91.4Very high80 Ų8060.2 Ų60.249%0.48531%0.314SS..SBendtrans-86.5125.6179.3178.60000110.1E190 A191 N192 R196E190-V194 WeakPolarHBondContact O-CG2 3.43Å; A191-V194 PolarHBondContact O-N 3.44Å; N192-V194 VanDerWaalsContact C-N 3.25Å; N192-V194 PolarHBondContact O-N 3.47Å; V194-R196 PolarHBondContact O-N 3.47Å
195D87.7Confident91.2Very high153 Ų15359.3 Ų59.382%0.81831%0.312SS*.PPolyproline II helixtrans-51.3128.8173-75.6-39.2000111.6
196R86.4Confident91.1Very high189 Ų18962.8 Ų62.871%0.71333%0.327SS*.PPolyproline II helixtrans-61.9130.9178.2-175.9179-68.6-179.4-0.6109.6V194 V198V194-R196 PolarHBondContact O-N 3.47Å; R196-V198 PolarHBondContact O-N 3.35Å
197P87.5Confident91.1Very high53 Ų5362.5 Ų62.534%0.34433%0.325SS..PPolyproline II helixtrans-58.2137.2174.427.4-38.4000110.7F46 T199 V235F46-P197 HydrophobicContact CZ-CB 4.28Å; F46-P197 HydrophobicContact CZ-CG 3.96Å; P197-T199 PolarHBondContact O-N 2.89Å; P197-V235 HydrophobicContact CB-CG1 4.19Å
198V92.6Very high91.2Very high72 Ų7264.7 Ų64.744%0.43633%0.328SS..EExtended strand (participates in β ladder)trans-75.6121175.6-179.90000108.5R196 V236 L243 L256R196-V198 PolarHBondContact O-N 3.35Å; V198-V236 HydrophobicContact CB-CB 4.45Å; V198-V236 HydrophobicContact CG1-CB 4.48Å; V198-V236 PolarHBondContact O-N 3.42Å; V198-L243 HydrophobicContact CG1-CD1 3.82Å; V198-L256 HydrophobicContact CG1-CD2 4.11Å
199T94.1Very high91.2Very high6 Ų666.4 Ų66.44%0.03733%0.331CS..EExtended strand (participates in β ladder)trans-120.5146.217955.40000111.2P197 L226 L234 V235 Q257 G258 A259P197-T199 PolarHBondContact O-N 2.89Å; T199-L226 HydrophobicContact CG2-CD1 4.49Å; T199-L234 WeakPolarHBondContact CA-O 3.45Å; T199-V235 HydrophobicContact CG2-CG2 4.02Å; T199-Q257 CarbonylContact C-O 3.39Å; T199-Q257 WeakPolarHBondContact CB-O 3.4Å; T199-Q257 CarbonylContact O-C 3.59Å; T199-Q257 PolarHBondContact O-N 2.81Å; T199-Q257 PolarHBondContact OG1-O 2.77Å; T199-G258 VanDerWaalsContact OG1-C 3.3Å; T199-G258 VanDerWaalsContact OG1-CA 3.23Å; T199-G258 WeakPolarHBondContact OG1-CA 3.16Å; T199-A259 HydrophobicContact CG2-CB 4.25Å; T199-A259 PolarHBondContact OG1-N 3.23Å
200I93.8Very high91.3Very high0 Ų076.2 Ų76.20%037%0.368CS..EExtended strand (participates in β ladder)trans-121.4141.417760.1178.2000109.8L216 G233 L234 V236 Y254 I255 L256I200-L216 HydrophobicContact CD1-CD1 3.49Å; I200-L216 VanDerWaalsContact CD1-CD1 3.49Å; I200-G233 WeakPolarHBondContact O-CA 3.43Å; I200-L234 HydrophobicContact CD1-CB 3.99Å; I200-L234 HydrophobicContact CD1-CD1 3.84Å; I200-L234 HydrophobicContact CD1-CG 4.49Å; I200-L234 HydrophobicContact CG1-CB 3.62Å; I200-L234 HydrophobicContact CG1-CD1 4.21Å; I200-L234 HydrophobicContact CG1-CG 4.38Å; I200-L234 PolarHBondContact N-O 2.68Å; I200-L234 PolarHBondContact O-N 2.98Å; I200-V236 HydrophobicContact CD1-CG2 4.22Å; I200-V236 HydrophobicContact CG1-CG2 4.37Å; I200-V236 HydrophobicContact CG2-CG2 4.33Å; I200-Y254 HydrophobicContact CB-CD2 3.89Å; I200-Y254 HydrophobicContact CB-CE2 4.49Å; I200-Y254 HydrophobicContact CD1-CD2 4.34Å; I200-Y254 HydrophobicContact CD1-CG 4.5Å; I200-Y254 HydrophobicContact CG2-CD2 3.76Å; I200-Y254 HydrophobicContact CG2-CE2 3.89Å; I200-I255 WeakPolarHBondContact CA-O 3.5Å; I200-L256 HydrophobicContact CG2-CD2 3.53Å; I200-L256 HydrophobicContact CG2-CG 4.46Å
201R93.8Very high91.4Very high5 Ų577 Ų772%0.01937%0.372CS..EExtended strand (participates in β ladder)trans-101.3123.1170.6-175.8175.364.896.4-1.7109V232 Y254 I255 Q257 M262 G285 T288 Y289R201-V232 HydrophobicContact CG-CG2 4.06Å; R201-Y254 VanDerWaalsContact O-CA 3.22Å; R201-Y254 WeakPolarHBondContact O-CA 3.34Å; R201-Y254 VanDerWaalsContact O-CB 3.29Å; R201-Y254 WeakPolarHBondContact O-CB 3.46Å; R201-I255 HydrophobicContact CB-CG2 3.88Å; R201-I255 PolarHBondContact N-O 3.36Å; R201-I255 PolarHBondContact O-N 2.89Å; R201-Q257 HydrophobicContact CB-CB 4.46Å; R201-Q257 VanDerWaalsContact CD-OE1 3.24Å; R201-M262 HydrophobicContact CB-CE 3.72Å; R201-M262 HydrophobicContact CB-SD 4.23Å; R201-M262 HydrophobicContact CG-CE 4.41Å; R201-M262 HydrophobicContact CG-SD 4.27Å; R201-G285 PolarHBondContact NH2-O 3.2Å; R201-T288 PolarHBondContact NH1-O 2.76Å; R201-T288 VanDerWaalsContact NH2-C 3.26Å; R201-T288 PolarHBondContact NH2-O 3.19Å; R201-T288 PolarHBondContact NH2-OG1 2.93Å; R201-Y289 VanDerWaalsContact CZ-CB 3.49Å; R201-Y289 VanDerWaalsContact NH1-CB 3.33Å
202T93.9Very high91.6Very high1 Ų174.2 Ų74.21%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-67.4131173-51.20000110.1T204 T207 R209 L212 V232T202-T204 PolarHBondContact O-N 2.86Å; T202-T207 HydrophobicContact CG2-CG2 3.79Å; T202-R209 HydrophobicContact CG2-CB 4.43Å; T202-L212 HydrophobicContact CG2-CB 4.35Å; T202-L212 HydrophobicContact CG2-CD2 3.81Å; T202-V232 WeakPolarHBondContact CB-O 3.4Å; T202-V232 PolarHBondContact N-O 2.77Å; T202-V232 PolarHBondContact OG1-O 2.93Å
203N92.1Very high91.7Very high5 Ų570.3 Ų70.33%0.02733%0.329CS..  trans-78.896.1167.2-175.12.9000109.7L205 K206 T207 G252 H253 L320N203-L205 PolarHBondContact O-N 3.21Å; N203-L205 VanDerWaalsContact O-N 3.1Å; N203-L205 WeakPolarHBondContact OD1-CB 3.31Å; N203-L205 PolarHBondContact OD1-N 3.32Å; N203-L205 VanDerWaalsContact OD1-N 3.14Å; N203-K206 PolarHBondContact O-N 3.49Å; N203-T207 PolarHBondContact O-N 3.28Å; N203-T207 VanDerWaalsContact O-N 3.12Å; N203-G252 VanDerWaalsContact CB-O 3.23Å; N203-G252 WeakPolarHBondContact CB-O 3.36Å; N203-G252 PolarHBondContact ND2-O 3.27Å; N203-H253 WeakPolarHBondContact CB-O 3.45Å; N203-H253 PolarHBondContact N-O 3.21Å; N203-L320 HydrophobicContact CB-CD2 3.92Å; N203-L320 WeakPolarHBondContact ND2-CD2 3.35Å; N203-L320 PolarHBondContact ND2-O 2.98Å; N203-L320 VanDerWaalsContact ND2-O 3.15Å
204T89.6Confident91.9Very high47 Ų4770 Ų7029%0.28833%0.328SS..THydrogen-bonded Turntrans-68.1-6.6-178.653.80000114.6T202 T207 V232 K292T202-T204 PolarHBondContact O-N 2.86Å; T204-T207 WeakPolarHBondContact CA-O 3.19Å; T204-V232 HydrophobicContact CG2-CG1 3.55Å; T204-K292 WeakPolarHBondContact OG1-CD 3.19Å; T204-K292 WeakPolarHBondContact OG1-CE 3.36Å; T204-K292 PolarHBondContact OG1-NZ 3.04Å
205L87.4Confident92.2Very high87 Ų8767.6 Ų67.646%0.45532%0.316SS..THydrogen-bonded Turntrans-76-27.4170.8-61.7175.4000112N203 K292 F322N203-L205 PolarHBondContact O-N 3.21Å; N203-L205 VanDerWaalsContact O-N 3.1Å; N203-L205 WeakPolarHBondContact OD1-CB 3.31Å; N203-L205 PolarHBondContact OD1-N 3.32Å; N203-L205 VanDerWaalsContact OD1-N 3.14Å; L205-K292 HydrophobicContact CD2-CG 4.15Å; L205-F322 HydrophobicContact CD1-CD1 4.24Å; L205-F322 HydrophobicContact CD1-CE1 3.47Å; L205-F322 VanDerWaalsContact CD1-CE1 3.47Å; L205-F322 HydrophobicContact CD1-CE2 4.48Å; L205-F322 HydrophobicContact CD1-CZ 3.64Å
206K88.8Confident92.5Very high74 Ų7460.3 Ų60.332%0.32228%0.278SS..THydrogen-bonded Turntrans-107.4-34.8-176.1-67.5-170.9176-177.50114.1N203 A251 L319 S321N203-K206 PolarHBondContact O-N 3.49Å; K206-A251 VanDerWaalsContact CD-O 3.3Å; K206-A251 WeakPolarHBondContact CD-O 3.45Å; K206-A251 PolarHBondContact NZ-O 2.87Å; K206-L319 PolarHBondContact NZ-O 2.83Å; K206-S321 VanDerWaalsContact CE-CB 3.49Å; K206-S321 VanDerWaalsContact CE-OG 3.24Å; K206-S321 WeakPolarHBondContact CE-OG 2.89Å; K206-S321 PolarHBondContact NZ-OG 3.14Å
207T92.7Very high92.8Very high17 Ų1755.1 Ų55.110%0.10426%0.263CS..  trans-148.9157-175.4-173.70000111.7T202 N203 T204 L212 H253T202-T207 HydrophobicContact CG2-CG2 3.79Å; N203-T207 PolarHBondContact O-N 3.28Å; N203-T207 VanDerWaalsContact O-N 3.12Å; T204-T207 WeakPolarHBondContact CA-O 3.19Å; T207-L212 HydrophobicContact CG2-CB 4Å; T207-H253 HydrophobicContact CG2-CB 3.79Å
208R93.9Very high93.1Very high184 Ų18458.3 Ų58.369%0.69428%0.277SS*.  trans-82.8151.9168.8-61.8-179.4172.1-174.6-1.3110.8R210 E211 L212R208-R210 VanDerWaalsContact C-N 3.28Å; R208-R210 PolarHBondContact O-N 2.88Å; R208-E211 HydrophobicContact CB-CG 4.32Å; R208-E211 WeakPolarHBondContact CB-OE2 3.14Å; R208-E211 PolarHBondContact N-OE2 3.35Å; R208-E211 VanDerWaalsContact N-OE2 3.15Å; R208-E211 PolarHBondContact O-N 3.05Å; R208-L212 PolarHBondContact O-N 2.93Å
209R93.9Very high93Very high65 Ų6559.6 Ų59.625%0.24527%0.274CS..Hα-helixtrans-56.6-39.8178.7-17917859.484.1-6.9112.7T202 A213 K231 L234T202-R209 HydrophobicContact CG2-CB 4.43Å; R209-A213 VanDerWaalsContact O-CB 3.28Å; R209-A213 WeakPolarHBondContact O-CB 3.46Å; R209-A213 PolarHBondContact O-N 3.5Å; R209-K231 WeakPolarHBondContact CD-O 3.36Å; R209-K231 PolarHBondContact NE-O 2.85Å; R209-L234 HydrophobicContact CG-CD1 4.31Å; R209-L234 HydrophobicContact CG-CD2 3.69Å; R209-L234 HydrophobicContact CG-CG 4.02Å
210R94.2Very high92.9Very high206 Ų20660.9 Ų60.978%0.77729%0.288SS*.Hα-helixtrans-66.1-43.5179.4-69.7-175.5178.8172.6-0.9112.1R208 A213 Q214R208-R210 VanDerWaalsContact C-N 3.28Å; R208-R210 PolarHBondContact O-N 2.88Å; R210-A213 PolarHBondContact O-N 3.36Å; R210-Q214 PolarHBondContact O-N 3.05Å
211E95Very high92.8Very high104 Ų10461 Ų6149%0.48629%0.289SS..Hα-helixtrans-65.1-44.3177.8-69.4157.2-167.700110.9R208 Q214 A215R208-E211 HydrophobicContact CB-CG 4.32Å; R208-E211 WeakPolarHBondContact CB-OE2 3.14Å; R208-E211 PolarHBondContact N-OE2 3.35Å; R208-E211 VanDerWaalsContact N-OE2 3.15Å; R208-E211 PolarHBondContact O-N 3.05Å; E211-Q214 PolarHBondContact O-N 3.15Å; E211-A215 WeakPolarHBondContact O-CB 2.94Å; E211-A215 PolarHBondContact O-N 3.41Å
212L94.8Very high92.8Very high2 Ų263.2 Ų63.21%0.0130%0.301CS..Hα-helixtrans-61.6-45.8175.5177.464.8000111.9T202 T207 R208 Q214 A215 L216 L234 E248 H253 Y254T202-L212 HydrophobicContact CG2-CB 4.35Å; T202-L212 HydrophobicContact CG2-CD2 3.81Å; T207-L212 HydrophobicContact CG2-CB 4Å; R208-L212 PolarHBondContact O-N 2.93Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 2.82Å; L212-A215 PolarHBondContact O-N 3.12Å; L212-L216 HydrophobicContact CD1-CD1 3.93Å; L212-L216 HydrophobicContact CD1-CG 4.08Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.48Å; L212-L216 WeakPolarHBondContact O-CB 3.25Å; L212-L216 WeakPolarHBondContact O-CG 3.23Å; L212-L216 PolarHBondContact O-N 3.3Å; L212-L234 HydrophobicContact CD2-CD1 4.1Å; L212-L234 HydrophobicContact CG-CD1 4.35Å; L212-E248 HydrophobicContact CD1-CB 4.21Å; L212-E248 HydrophobicContact CD1-CG 4.41Å; L212-H253 HydrophobicContact CD1-CB 4.17Å; L212-Y254 HydrophobicContact CD1-CD1 3.63Å; L212-Y254 HydrophobicContact CD1-CE1 4.21Å; L212-Y254 HydrophobicContact CD2-CD1 4.12Å; L212-Y254 HydrophobicContact CD2-CG 4.2Å; L212-Y254 HydrophobicContact CG-CD1 4.46Å
213A94.5Very high92.8Very high15 Ų1563.6 Ų63.612%0.12430%0.303CS..Hα-helixtrans-56.7-47.5176.900000110.8R209 R210 A215 L216 I217 L223 L234R209-A213 VanDerWaalsContact O-CB 3.28Å; R209-A213 WeakPolarHBondContact O-CB 3.46Å; R209-A213 PolarHBondContact O-N 3.5Å; R210-A213 PolarHBondContact O-N 3.36Å; A213-A215 PolarHBondContact O-N 3.33Å; A213-L216 PolarHBondContact O-N 3.15Å; A213-I217 WeakPolarHBondContact O-CB 3.21Å; A213-I217 WeakPolarHBondContact O-CD1 3.44Å; A213-I217 WeakPolarHBondContact O-CG1 3.44Å; A213-I217 PolarHBondContact O-N 3.13Å; A213-L223 HydrophobicContact CB-CD1 3.72Å; A213-L234 HydrophobicContact CB-CD1 4.24Å; A213-L234 HydrophobicContact CB-CD2 4.3Å
214Q94.8Very high92.9Very high105 Ų10566.8 Ų66.849%0.49132%0.32SS..Hα-helixtrans-62.4-44178-170.662.555.100112.3R210 E211 L212 L216 I217 N218R210-Q214 PolarHBondContact O-N 3.05Å; E211-Q214 PolarHBondContact O-N 3.15Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 2.82Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 3.41Å; Q214-I217 PolarHBondContact O-N 2.97Å; Q214-N218 PolarHBondContact NE2-OD1 3.45Å; Q214-N218 WeakPolarHBondContact O-CB 3.17Å; Q214-N218 PolarHBondContact O-N 2.95Å; Q214-N218 PolarHBondContact O-ND2 3.35Å; Q214-N218 PolarHBondContact O-OD1 3.46Å
215A93.7Very high93.1Very high30 Ų3068 Ų6825%0.24833%0.329CS..Hα-helixtrans-60.3-42.7178.700000112E211 L212 A213 R219 E248E211-A215 WeakPolarHBondContact O-CB 2.94Å; E211-A215 PolarHBondContact O-N 3.41Å; L212-A215 PolarHBondContact O-N 3.12Å; A213-A215 PolarHBondContact O-N 3.33Å; A215-R219 PolarHBondContact O-N 3.46Å; A215-E248 HydrophobicContact CB-CG 4.41Å
216L94.2Very high93.3Very high0 Ų064.5 Ų64.50%031%0.311CS..Hα-helixtrans-72.7-38.2178.2-70.9175.7000112.4I200 L212 A213 Q214 N218 R219 G220 V221 L223 T246 Y254I200-L216 HydrophobicContact CD1-CD1 3.49Å; I200-L216 VanDerWaalsContact CD1-CD1 3.49Å; L212-L216 HydrophobicContact CD1-CD1 3.93Å; L212-L216 HydrophobicContact CD1-CG 4.08Å; L212-L216 HydrophobicContact CG-CD1 3.97Å; L212-L216 HydrophobicContact CG-CG 4.48Å; L212-L216 WeakPolarHBondContact O-CB 3.25Å; L212-L216 WeakPolarHBondContact O-CG 3.23Å; L212-L216 PolarHBondContact O-N 3.3Å; A213-L216 PolarHBondContact O-N 3.15Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 3.41Å; L216-N218 VanDerWaalsContact C-N 3.31Å; L216-N218 PolarHBondContact O-N 3.14Å; L216-R219 PolarHBondContact O-N 3.4Å; L216-G220 PolarHBondContact O-N 3.28Å; L216-V221 HydrophobicContact CB-CB 4.11Å; L216-V221 HydrophobicContact CB-CG2 4.21Å; L216-V221 HydrophobicContact CD2-CG2 4.31Å; L216-V221 VanDerWaalsContact O-CB 3.28Å; L216-V221 WeakPolarHBondContact O-CB 3.29Å; L216-V221 WeakPolarHBondContact O-CG2 3.49Å; L216-V221 PolarHBondContact O-N 3.2Å; L216-V221 VanDerWaalsContact O-N 3.07Å; L216-L223 HydrophobicContact CB-CD2 3.38Å; L216-L223 HydrophobicContact CD1-CD2 3.8Å; L216-L223 HydrophobicContact CG-CD2 4.26Å; L216-T246 HydrophobicContact CD2-CG2 4.41Å; L216-Y254 HydrophobicContact CD1-CE1 4.23Å; L216-Y254 HydrophobicContact CD2-CE1 4.01Å
217I94Very high93.2Very high80 Ų8062.6 Ų62.641%0.4130%0.303SS..Hα-helixtrans-60.1-42.6173.8-71163.9000110.5A213 Q214 R219 G220 L223A213-I217 WeakPolarHBondContact O-CB 3.21Å; A213-I217 WeakPolarHBondContact O-CD1 3.44Å; A213-I217 WeakPolarHBondContact O-CG1 3.44Å; A213-I217 PolarHBondContact O-N 3.13Å; Q214-I217 PolarHBondContact O-N 2.97Å; I217-R219 PolarHBondContact O-N 3.05Å; I217-R219 VanDerWaalsContact O-N 3.17Å; I217-G220 PolarHBondContact O-N 2.91Å; I217-L223 HydrophobicContact CG1-CD2 4.47Å; I217-L223 HydrophobicContact CG1-CG 4.22Å
218N92.6Very high92.9Very high120 Ų12067 Ų6764%0.64233%0.332SS*.Hα-helixtrans-61.4-23.9176.7-68.5-9.3000112.9Q214 L216 G220Q214-N218 PolarHBondContact NE2-OD1 3.45Å; Q214-N218 WeakPolarHBondContact O-CB 3.17Å; Q214-N218 PolarHBondContact O-N 2.95Å; Q214-N218 PolarHBondContact O-ND2 3.35Å; Q214-N218 PolarHBondContact O-OD1 3.46Å; L216-N218 VanDerWaalsContact C-N 3.31Å; L216-N218 PolarHBondContact O-N 3.14Å; N218-G220 VanDerWaalsContact C-N 3.33Å
219R91.2Very high92.7Very high99 Ų9963 Ų6337%0.37432%0.317SS..THydrogen-bonded Turntrans-88.34.7174.1-65.5-178-175.1-92.41.1113.8A215 L216 I217 E248A215-R219 PolarHBondContact O-N 3.46Å; L216-R219 PolarHBondContact O-N 3.4Å; I217-R219 PolarHBondContact O-N 3.05Å; I217-R219 VanDerWaalsContact O-N 3.17Å; R219-E248 IonicContact CZ-OE1 3.66Å; R219-E248 IonicContact CZ-OE2 3.2Å; R219-E248 IonicContact NE-OE1 2.72Å; R219-E248 PolarHBondContact NE-OE1 2.93Å; R219-E248 IonicContact NE-OE2 2.78Å; R219-E248 PolarHBondContact NE-OE2 2.87Å; R219-E248 IonicContact NH2-OE1 3.57Å; R219-E248 PolarHBondContact NH2-OE1 2.9Å; R219-E248 IonicContact NH2-OE2 2.76Å; R219-E248 PolarHBondContact NH2-OE2 3.5Å
220G91Very high92.5Very high32 Ų3260.2 Ų60.233%0.3331%0.307SS..THydrogen-bonded Turntrans79.924.6-178.800000114.2L216 I217 N218L216-G220 PolarHBondContact O-N 3.28Å; I217-G220 PolarHBondContact O-N 2.91Å; N218-G220 VanDerWaalsContact C-N 3.33Å
221V93.5Very high92.2Very high4 Ų459 Ų592%0.02431%0.307CS..EExtended strand (participates in β ladder)trans-86.7124.4170.3-171.70000109.2L216 L223 V236 S239 L243L216-V221 HydrophobicContact CB-CB 4.11Å; L216-V221 HydrophobicContact CB-CG2 4.21Å; L216-V221 HydrophobicContact CD2-CG2 4.31Å; L216-V221 VanDerWaalsContact O-CB 3.28Å; L216-V221 WeakPolarHBondContact O-CB 3.29Å; L216-V221 WeakPolarHBondContact O-CG2 3.49Å; L216-V221 PolarHBondContact O-N 3.2Å; L216-V221 VanDerWaalsContact O-N 3.07Å; V221-L223 HydrophobicContact CB-CD2 4.26Å; V221-L223 HydrophobicContact CG1-CB 4.44Å; V221-L223 HydrophobicContact CG1-CD2 3.98Å; V221-V236 HydrophobicContact CG1-CG1 3.59Å; V221-V236 HydrophobicContact CG1-CG2 4.39Å; V221-S239 WeakPolarHBondContact CG2-OG 3.33Å; V221-L243 HydrophobicContact CG1-CD2 3.96Å; V221-L243 HydrophobicContact CG2-CD2 4.17Å
222N93.7Very high92.1Very high51 Ų5154.4 Ų54.427%0.27329%0.287SS..EExtended strand (participates in β ladder)trans-89.1107.8172.4-176.328.4000109.1Y237 S238N222-Y237 PolarHBondContact O-N 3.12Å; N222-S238 VanDerWaalsContact CB-OG 3.29Å; N222-S238 WeakPolarHBondContact CB-OG 3.49Å; N222-S238 PolarHBondContact N-O 3.3Å; N222-S238 PolarHBondContact O-N 2.96Å
223L94.2Very high92.1Very high8 Ų854.3 Ų54.34%0.04229%0.286CS..EExtended strand (participates in β ladder)trans-139.3152.5-177.764.891.7000110.3A213 L216 I217 V221 L234 V235 V236A213-L223 HydrophobicContact CB-CD1 3.72Å; L216-L223 HydrophobicContact CB-CD2 3.38Å; L216-L223 HydrophobicContact CD1-CD2 3.8Å; L216-L223 HydrophobicContact CG-CD2 4.26Å; I217-L223 HydrophobicContact CG1-CD2 4.47Å; I217-L223 HydrophobicContact CG1-CG 4.22Å; V221-L223 HydrophobicContact CB-CD2 4.26Å; V221-L223 HydrophobicContact CG1-CB 4.44Å; V221-L223 HydrophobicContact CG1-CD2 3.98Å; L223-L234 HydrophobicContact CD1-CB 4.4Å; L223-L234 HydrophobicContact CD1-CD1 4.12Å; L223-L234 HydrophobicContact CD1-CD2 4.01Å; L223-L234 HydrophobicContact CD1-CG 4.4Å; L223-V235 CarbonylContact C-O 3.54Å; L223-V235 WeakPolarHBondContact CA-O 3.37Å; L223-V235 WeakPolarHBondContact CB-O 3.41Å; L223-V236 HydrophobicContact CB-CG2 4.22Å
224D93.5Very high92.1Very high72 Ų7253.6 Ų53.639%0.38528%0.28SS..EExtended strand (participates in β ladder)trans-128.6160.5170.8-79.3-44.3000109.7L226 L234 V235 Y237D224-L226 PolarHBondContact O-N 2.97Å; D224-L234 CarbonylContact O-C 3.55Å; D224-L234 WeakPolarHBondContact O-CA 3.23Å; D224-V235 PolarHBondContact N-O 2.8Å; D224-V235 PolarHBondContact O-N 3.42Å; D224-Y237 HydrophobicContact CB-CE2 3.95Å; D224-Y237 VanDerWaalsContact OD2-CE2 3.32Å; D224-Y237 WeakPolarHBondContact OD2-CE2 3.34Å
225P93.6Very high92.1Very high73 Ų7348.8 Ų48.847%0.47426%0.258SS..EExtended strand (participates in β ladder)trans-49.2139.2164-23.634.6000110.9
226L91Very high92.1Very high13 Ų1347.9 Ų47.97%0.06825%0.249CC..  trans-62.2164.6164.2-172.860.3000109.3T199 D224 W229 G233 V235 A259 M262T199-L226 HydrophobicContact CG2-CD1 4.49Å; D224-L226 PolarHBondContact O-N 2.97Å; L226-W229 HydrophobicContact CD1-CZ2 4.35Å; L226-W229 HydrophobicContact CD2-CH2 3.44Å; L226-W229 VanDerWaalsContact CD2-CH2 3.44Å; L226-W229 HydrophobicContact CD2-CZ2 3.75Å; L226-W229 HydrophobicContact CD2-CZ3 4.06Å; L226-W229 HydrophobicContact CG-CH2 4.21Å; L226-W229 HydrophobicContact CG-CZ2 4.01Å; L226-G233 WeakPolarHBondContact CB-O 3.48Å; L226-G233 PolarHBondContact N-O 3.47Å; L226-V235 HydrophobicContact CB-CG2 4.17Å; L226-V235 HydrophobicContact CD1-CG2 3.31Å; L226-V235 HydrophobicContact CG-CG2 4.33Å; L226-A259 HydrophobicContact CD1-CB 4.23Å; L226-A259 HydrophobicContact CD2-CB 4.01Å; L226-M262 HydrophobicContact CD2-SD 4.48Å
227E86.9Confident92Very high34 Ų3450.5 Ų50.516%0.15926%0.259CS..  trans-39.1153.5175.2-67.6-52.8142.900114.2F46 W229 S230F46-E227 VanDerWaalsContact CA-OE1 3.23Å; F46-E227 WeakPolarHBondContact CA-OE1 3.27Å; F46-E227 WeakPolarHBondContact CB-OE1 3.37Å; F46-E227 WeakPolarHBondContact CD1-OE1 3.23Å; F46-E227 VanDerWaalsContact O-CD 3.25Å; E227-W229 HydrophobicContact CB-CD2 4.45Å; E227-W229 HydrophobicContact CB-CG 4.18Å; E227-W229 PolarHBondContact O-N 3.23Å; E227-S230 PolarHBondContact O-N 2.96Å
228P87.3Confident91.8Very high109 Ų10949.7 Ų49.771%0.70826%0.261SS*.THydrogen-bonded Turntrans-52.6-26-172.1-28.334.9000115.7S230P228-S230 VanDerWaalsContact C-N 3.26Å; P228-S230 PolarHBondContact O-N 3Å
229W89.1Confident91.7Very high102 Ų10246 Ų4639%0.38624%0.244SC..THydrogen-bonded Turntrans-62.9-29.4177.256.1-101.3000112.9L226 E227 A259 L263 M266L226-W229 HydrophobicContact CD1-CZ2 4.35Å; L226-W229 HydrophobicContact CD2-CH2 3.44Å; L226-W229 VanDerWaalsContact CD2-CH2 3.44Å; L226-W229 HydrophobicContact CD2-CZ2 3.75Å; L226-W229 HydrophobicContact CD2-CZ3 4.06Å; L226-W229 HydrophobicContact CG-CH2 4.21Å; L226-W229 HydrophobicContact CG-CZ2 4.01Å; E227-W229 HydrophobicContact CB-CD2 4.45Å; E227-W229 HydrophobicContact CB-CG 4.18Å; E227-W229 PolarHBondContact O-N 3.23Å; W229-A259 HydrophobicContact CH2-CB 4.05Å; W229-A259 HydrophobicContact CZ2-CB 4.28Å; W229-L263 HydrophobicContact CD2-CD2 4.33Å; W229-L263 HydrophobicContact CE3-CD2 3.84Å; W229-L263 HydrophobicContact CH2-CD2 4.01Å; W229-L263 HydrophobicContact CH2-CG 4.44Å; W229-L263 HydrophobicContact CZ2-CD2 4.48Å; W229-L263 HydrophobicContact CZ3-CD2 3.67Å; W229-L263 HydrophobicContact CZ3-CG 4.39Å; W229-M266 HydrophobicContact CE3-CE 3.87Å; W229-M266 HydrophobicContact CE3-SD 3.84Å; W229-M266 HydrophobicContact CZ3-SD 3.9Å; W229-M266 WeakPolarHBondContact O-CE 3.4Å
230S89.5Confident91.4Very high5 Ų548 Ų484%0.03526%0.258CS..  trans-102.6115.6-178.4-168.40000113.4E227 P228 V232 G233E227-S230 PolarHBondContact O-N 2.96Å; P228-S230 VanDerWaalsContact C-N 3.26Å; P228-S230 PolarHBondContact O-N 3Å; S230-V232 VanDerWaalsContact C-N 3.3Å; S230-V232 PolarHBondContact O-N 3.04Å; S230-V232 PolarHBondContact OG-N 2.98Å; S230-G233 PolarHBondContact OG-N 3.15Å
231K89Confident91.2Very high181 Ų18148.9 Ų48.979%0.78726%0.257SS*.SBendtrans-78.1-12.1172.3-65.8-179.8-177.7172.40113.9R209R209-K231 WeakPolarHBondContact CD-O 3.36Å; R209-K231 PolarHBondContact NE-O 2.85Å
232V92.6Very high91Very high8 Ų853 Ų535%0.04828%0.284CS..SBendtrans-119.2-18.8-171-62.10000114.4R201 T202 T204 S230 Y289R201-V232 HydrophobicContact CG-CG2 4.06Å; T202-V232 WeakPolarHBondContact CB-O 3.4Å; T202-V232 PolarHBondContact N-O 2.77Å; T202-V232 PolarHBondContact OG1-O 2.93Å; T204-V232 HydrophobicContact CG2-CG1 3.55Å; S230-V232 VanDerWaalsContact C-N 3.3Å; S230-V232 PolarHBondContact O-N 3.04Å; S230-V232 PolarHBondContact OG-N 2.98Å; V232-Y289 HydrophobicContact CG2-CE2 4.25Å; V232-Y289 WeakPolarHBondContact CG2-OH 3.27Å
233G93.7Very high90.9Very high0 Ų051.7 Ų51.70%028%0.276CS..EExtended strand (participates in β ladder)trans-79.1145.4-177.900000113.1I200 L226 S230I200-G233 WeakPolarHBondContact O-CA 3.43Å; L226-G233 WeakPolarHBondContact CB-O 3.48Å; L226-G233 PolarHBondContact N-O 3.47Å; S230-G233 PolarHBondContact OG-N 3.15Å
234L94.5Very high90.7Very high0 Ų053.1 Ų53.10%029%0.293CS..EExtended strand (participates in β ladder)trans-129.3141.8166.3-56.9163.6000108.5T199 I200 R209 L212 A213 L223 D224T199-L234 WeakPolarHBondContact CA-O 3.45Å; I200-L234 HydrophobicContact CD1-CB 3.99Å; I200-L234 HydrophobicContact CD1-CD1 3.84Å; I200-L234 HydrophobicContact CD1-CG 4.49Å; I200-L234 HydrophobicContact CG1-CB 3.62Å; I200-L234 HydrophobicContact CG1-CD1 4.21Å; I200-L234 HydrophobicContact CG1-CG 4.38Å; I200-L234 PolarHBondContact N-O 2.68Å; I200-L234 PolarHBondContact O-N 2.98Å; R209-L234 HydrophobicContact CG-CD1 4.31Å; R209-L234 HydrophobicContact CG-CD2 3.69Å; R209-L234 HydrophobicContact CG-CG 4.02Å; L212-L234 HydrophobicContact CD2-CD1 4.1Å; L212-L234 HydrophobicContact CG-CD1 4.35Å; A213-L234 HydrophobicContact CB-CD1 4.24Å; A213-L234 HydrophobicContact CB-CD2 4.3Å; L223-L234 HydrophobicContact CD1-CB 4.4Å; L223-L234 HydrophobicContact CD1-CD1 4.12Å; L223-L234 HydrophobicContact CD1-CD2 4.01Å; L223-L234 HydrophobicContact CD1-CG 4.4Å; D224-L234 CarbonylContact O-C 3.55Å; D224-L234 WeakPolarHBondContact O-CA 3.23Å
235V94.7Very high90.4Very high4 Ų452.4 Ų52.42%0.02430%0.297CS..EExtended strand (participates in β ladder)trans-99.3129.2173.7-177.90000108.1P197 T199 L223 D224 L226 Y237P197-V235 HydrophobicContact CB-CG1 4.19Å; T199-V235 HydrophobicContact CG2-CG2 4.02Å; L223-V235 CarbonylContact C-O 3.54Å; L223-V235 WeakPolarHBondContact CA-O 3.37Å; L223-V235 WeakPolarHBondContact CB-O 3.41Å; D224-V235 PolarHBondContact N-O 2.8Å; D224-V235 PolarHBondContact O-N 3.42Å; L226-V235 HydrophobicContact CB-CG2 4.17Å; L226-V235 HydrophobicContact CD1-CG2 3.31Å; L226-V235 HydrophobicContact CG-CG2 4.33Å; V235-Y237 HydrophobicContact CG1-CE1 4.2Å
236V94.2Very high90.3Very high10 Ų1049 Ų496%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-103.8118177.2-175.30000109.1V198 I200 V221 L223 L243V198-V236 HydrophobicContact CB-CB 4.45Å; V198-V236 HydrophobicContact CG1-CB 4.48Å; V198-V236 PolarHBondContact O-N 3.42Å; I200-V236 HydrophobicContact CD1-CG2 4.22Å; I200-V236 HydrophobicContact CG1-CG2 4.37Å; I200-V236 HydrophobicContact CG2-CG2 4.33Å; V221-V236 HydrophobicContact CG1-CG1 3.59Å; V221-V236 HydrophobicContact CG1-CG2 4.39Å; L223-V236 HydrophobicContact CB-CG2 4.22Å; V236-L243 HydrophobicContact CB-CD1 4.17Å; V236-L243 HydrophobicContact CG1-CD1 3.97Å; V236-L243 HydrophobicContact CG1-CD2 4.46Å; V236-L243 HydrophobicContact CG2-CD1 4.04Å
237Y91.8Very high90.3Very high56 Ų5651.6 Ų51.622%0.2229%0.293CS..EExtended strand (participates in β ladder)trans-88.2-35.6178.6-65.2-71.1000112.8L42 N222 D224 V235L42-Y237 HydrophobicContact CB-CE1 4.33Å; N222-Y237 PolarHBondContact O-N 3.12Å; D224-Y237 HydrophobicContact CB-CE2 3.95Å; D224-Y237 VanDerWaalsContact OD2-CE2 3.32Å; D224-Y237 WeakPolarHBondContact OD2-CE2 3.34Å; V235-Y237 HydrophobicContact CG1-CE1 4.2Å
238S91.2Very high90.6Very high62 Ų6250.9 Ų50.943%0.43429%0.29SS..EExtended strand (participates in β ladder)trans-160.4142.6178.962.20000110N222N222-S238 VanDerWaalsContact CB-OG 3.29Å; N222-S238 WeakPolarHBondContact CB-OG 3.49Å; N222-S238 PolarHBondContact N-O 3.3Å; N222-S238 PolarHBondContact O-N 2.96Å
239S89.1Confident90.9Very high43 Ų4348.2 Ų48.230%0.30127%0.266SS..EExtended strand (participates in β ladder)trans-133.2137.5174.4-172.30000110.3V221 V241V221-S239 WeakPolarHBondContact CG2-OG 3.33Å; S239-V241 WeakPolarHBondContact CB-O 3.43Å; S239-V241 PolarHBondContact OG-N 3.45Å; S239-V241 PolarHBondContact OG-O 3.5Å
240Q85Confident90.9Very high142 Ų14248.5 Ų48.566%0.66427%0.274SS*.SBendtrans-81.7-21.7169.5-60.9-169.64200112.2
241V87.3Confident91Very high50 Ų5050.2 Ų50.230%0.30329%0.289SS..SBendtrans-110.1139.2-176.9-176.90000109.1S239 L243 T246S239-V241 WeakPolarHBondContact CB-O 3.43Å; S239-V241 PolarHBondContact OG-N 3.45Å; S239-V241 PolarHBondContact OG-O 3.5Å; V241-L243 PolarHBondContact O-N 2.93Å; V241-L243 VanDerWaalsContact O-N 3.13Å; V241-T246 HydrophobicContact CG1-CG2 4.09Å
242P90.2Very high91.1Very high90 Ų9041.6 Ų41.658%0.58425%0.251SS*.  trans-58.7118172.622.7-33.8000111.1G244 A245P242-G244 PolarHBondContact O-N 3.26Å; P242-G244 VanDerWaalsContact O-N 3.16Å; P242-A245 HydrophobicContact CB-CB 4.4Å; P242-A245 HydrophobicContact CG-CB 4.05Å; P242-A245 PolarHBondContact O-N 3.44Å
243L90.9Very high91.1Very high23 Ų2344 Ų4412%0.1226%0.262CS..G310 helixtrans-61.7-24.9-177.2-64.1175000113.1V198 V221 V236 V241 A245 Y249 Y254 L256V198-L243 HydrophobicContact CG1-CD1 3.82Å; V221-L243 HydrophobicContact CG1-CD2 3.96Å; V221-L243 HydrophobicContact CG2-CD2 4.17Å; V236-L243 HydrophobicContact CB-CD1 4.17Å; V236-L243 HydrophobicContact CG1-CD1 3.97Å; V236-L243 HydrophobicContact CG1-CD2 4.46Å; V236-L243 HydrophobicContact CG2-CD1 4.04Å; V241-L243 PolarHBondContact O-N 2.93Å; V241-L243 VanDerWaalsContact O-N 3.13Å; L243-A245 VanDerWaalsContact C-N 3.32Å; L243-Y249 WeakPolarHBondContact O-CB 3.46Å; L243-Y254 PolarHBondContact O-OH 3.24Å; L243-L256 HydrophobicContact CB-CD2 4Å; L243-L256 HydrophobicContact CD1-CD2 3.95Å
244G89.5Confident91.1Very high38 Ų3844 Ų4439%0.39226%0.262SS..G310 helixtrans-83-1.2177.300000114.9P242 Y249P242-G244 PolarHBondContact O-N 3.26Å; P242-G244 VanDerWaalsContact O-N 3.16Å; G244-Y249 WeakPolarHBondContact O-CD1 3.41Å; G244-Y249 WeakPolarHBondContact O-CE1 3.48Å
245A88.1Confident91Very high58 Ų5844.5 Ų44.548%0.47926%0.264SS..G310 helixtrans-127.914.8179.500000112.7P242 L243P242-A245 HydrophobicContact CB-CB 4.4Å; P242-A245 HydrophobicContact CG-CB 4.05Å; P242-A245 PolarHBondContact O-N 3.44Å; L243-A245 VanDerWaalsContact C-N 3.32Å
246T91.2Very high90.8Very high0 Ų047.7 Ų47.70%028%0.281CS..SBendtrans-71.2145.3171.664.20000109.3L216 V241 E248 Y249 L250 Y254L216-T246 HydrophobicContact CD2-CG2 4.41Å; V241-T246 HydrophobicContact CG1-CG2 4.09Å; T246-E248 WeakPolarHBondContact CB-OE2 3.39Å; T246-E248 PolarHBondContact O-N 2.95Å; T246-Y249 WeakPolarHBondContact O-CB 3.36Å; T246-Y249 PolarHBondContact O-N 3.44Å; T246-Y249 VanDerWaalsContact OG1-CB 3.26Å; T246-Y249 WeakPolarHBondContact OG1-CB 3.36Å; T246-Y249 PolarHBondContact OG1-N 2.72Å; T246-L250 PolarHBondContact O-N 3.44Å; T246-Y254 PolarHBondContact OG1-OH 3.42Å
247P91.6Very high90.6Very high68 Ų6848 Ų4844%0.44228%0.282SS..Hα-helixtrans-53.7-34172-2937.5000112.8L250 A251P247-L250 PolarHBondContact O-N 2.9Å; P247-A251 WeakPolarHBondContact O-CB 3.47Å; P247-A251 PolarHBondContact O-N 3.47Å
248E93Very high90.5Very high20 Ų2046.4 Ų46.49%0.09328%0.282CS..Hα-helixtrans-66.2-39.1176.3-63.479.1-173.100111.9L212 A215 R219 T246 G252 H253 Y254L212-E248 HydrophobicContact CD1-CB 4.21Å; L212-E248 HydrophobicContact CD1-CG 4.41Å; A215-E248 HydrophobicContact CB-CG 4.41Å; R219-E248 IonicContact CZ-OE1 3.66Å; R219-E248 IonicContact CZ-OE2 3.2Å; R219-E248 IonicContact NE-OE1 2.72Å; R219-E248 PolarHBondContact NE-OE1 2.93Å; R219-E248 IonicContact NE-OE2 2.78Å; R219-E248 PolarHBondContact NE-OE2 2.87Å; R219-E248 IonicContact NH2-OE1 3.57Å; R219-E248 PolarHBondContact NH2-OE1 2.9Å; R219-E248 IonicContact NH2-OE2 2.76Å; R219-E248 PolarHBondContact NH2-OE2 3.5Å; T246-E248 WeakPolarHBondContact CB-OE2 3.39Å; T246-E248 PolarHBondContact O-N 2.95Å; E248-G252 PolarHBondContact O-N 3.27Å; E248-H253 HydrophobicContact CB-CB 4.11Å; E248-H253 VanDerWaalsContact O-CB 3.24Å; E248-H253 WeakPolarHBondContact O-CB 3.22Å; E248-H253 PolarHBondContact O-N 2.58Å; E248-Y254 HydrophobicContact CB-CD1 4.11Å; E248-Y254 HydrophobicContact CB-CE1 3.75Å
249Y92.7Very high90.5Very high53 Ų5344.6 Ų44.621%0.20827%0.271CS..Hα-helixtrans-66.4-47.2173.9-178.3-100.1000111.3L243 G244 T246 A251 G252 Y254 L256L243-Y249 WeakPolarHBondContact O-CB 3.46Å; G244-Y249 WeakPolarHBondContact O-CD1 3.41Å; G244-Y249 WeakPolarHBondContact O-CE1 3.48Å; T246-Y249 WeakPolarHBondContact O-CB 3.36Å; T246-Y249 PolarHBondContact O-N 3.44Å; T246-Y249 VanDerWaalsContact OG1-CB 3.26Å; T246-Y249 WeakPolarHBondContact OG1-CB 3.36Å; T246-Y249 PolarHBondContact OG1-N 2.72Å; Y249-A251 VanDerWaalsContact C-N 3.29Å; Y249-A251 PolarHBondContact O-N 3.24Å; Y249-G252 WeakPolarHBondContact O-CA 3.33Å; Y249-G252 PolarHBondContact O-N 3.37Å; Y249-Y254 HydrophobicContact CD2-CD2 4.06Å; Y249-Y254 AromaticContact CD2-CE2 3.7Å; Y249-Y254 HydrophobicContact CD2-CE2 3.7Å; Y249-Y254 HydrophobicContact CG-CE2 4.38Å; Y249-L256 HydrophobicContact CE2-CD1 4.33Å; Y249-L256 HydrophobicContact CE2-CG 4.29Å
250L90.2Very high90.5Very high107 Ų10745.8 Ų45.856%0.5628%0.279SS*.Hα-helixtrans-65.4-31.8179-64.2175.3000112.6T246 P247 G252 L319T246-L250 PolarHBondContact O-N 3.44Å; P247-L250 PolarHBondContact O-N 2.9Å; L250-G252 PolarHBondContact O-N 3.32Å; L250-L319 WeakPolarHBondContact O-CD1 3.49Å
251A90.8Very high90.7Very high41 Ų4140.8 Ų40.834%0.33926%0.26SS..THydrogen-bonded Turntrans-75.1-7.4172.100000113.2K206 P247 Y249K206-A251 VanDerWaalsContact CD-O 3.3Å; K206-A251 WeakPolarHBondContact CD-O 3.45Å; K206-A251 PolarHBondContact NZ-O 2.87Å; P247-A251 WeakPolarHBondContact O-CB 3.47Å; P247-A251 PolarHBondContact O-N 3.47Å; Y249-A251 VanDerWaalsContact C-N 3.29Å; Y249-A251 PolarHBondContact O-N 3.24Å
252G90.4Very high90.8Very high0 Ų038.4 Ų38.40%025%0.245CC..THydrogen-bonded Turntrans74.125.9-178.200000113.9N203 E248 Y249 L250 Y254 L320N203-G252 VanDerWaalsContact CB-O 3.23Å; N203-G252 WeakPolarHBondContact CB-O 3.36Å; N203-G252 PolarHBondContact ND2-O 3.27Å; E248-G252 PolarHBondContact O-N 3.27Å; Y249-G252 WeakPolarHBondContact O-CA 3.33Å; Y249-G252 PolarHBondContact O-N 3.37Å; L250-G252 PolarHBondContact O-N 3.32Å; G252-Y254 PolarHBondContact O-N 3.48Å; G252-L320 VanDerWaalsContact O-CD2 3.25Å; G252-L320 WeakPolarHBondContact O-CD2 3.24Å
253H92.7Very high90.8Very high59 Ų5938.1 Ų38.127%0.27324%0.239SC..SBendtrans-70.7-23.1175.8-68.1-177.3000112.4N203 T207 L212 E248N203-H253 WeakPolarHBondContact CB-O 3.45Å; N203-H253 PolarHBondContact N-O 3.21Å; T207-H253 HydrophobicContact CG2-CB 3.79Å; L212-H253 HydrophobicContact CD1-CB 4.17Å; E248-H253 HydrophobicContact CB-CB 4.11Å; E248-H253 VanDerWaalsContact O-CB 3.24Å; E248-H253 WeakPolarHBondContact O-CB 3.22Å; E248-H253 PolarHBondContact O-N 2.58Å
254Y93.9Very high90.8Very high1 Ų140.2 Ų40.20%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-153.3165.717467.9-88.8000111.9I200 R201 L212 L216 L243 T246 E248 Y249 G252I200-Y254 HydrophobicContact CB-CD2 3.89Å; I200-Y254 HydrophobicContact CB-CE2 4.49Å; I200-Y254 HydrophobicContact CD1-CD2 4.34Å; I200-Y254 HydrophobicContact CD1-CG 4.5Å; I200-Y254 HydrophobicContact CG2-CD2 3.76Å; I200-Y254 HydrophobicContact CG2-CE2 3.89Å; R201-Y254 VanDerWaalsContact O-CA 3.22Å; R201-Y254 WeakPolarHBondContact O-CA 3.34Å; R201-Y254 VanDerWaalsContact O-CB 3.29Å; R201-Y254 WeakPolarHBondContact O-CB 3.46Å; L212-Y254 HydrophobicContact CD1-CD1 3.63Å; L212-Y254 HydrophobicContact CD1-CE1 4.21Å; L212-Y254 HydrophobicContact CD2-CD1 4.12Å; L212-Y254 HydrophobicContact CD2-CG 4.2Å; L212-Y254 HydrophobicContact CG-CD1 4.46Å; L216-Y254 HydrophobicContact CD1-CE1 4.23Å; L216-Y254 HydrophobicContact CD2-CE1 4.01Å; L243-Y254 PolarHBondContact O-OH 3.24Å; T246-Y254 PolarHBondContact OG1-OH 3.42Å; E248-Y254 HydrophobicContact CB-CD1 4.11Å; E248-Y254 HydrophobicContact CB-CE1 3.75Å; Y249-Y254 HydrophobicContact CD2-CD2 4.06Å; Y249-Y254 AromaticContact CD2-CE2 3.7Å; Y249-Y254 HydrophobicContact CD2-CE2 3.7Å; Y249-Y254 HydrophobicContact CG-CE2 4.38Å; G252-Y254 PolarHBondContact O-N 3.48Å
255I92Very high90.7Very high10 Ų1038.6 Ų38.65%0.05124%0.236CC..EExtended strand (participates in β ladder)trans-125.8142.2172.4-170.6174.9000109.6I200 R201 Q257 L316 L320I200-I255 WeakPolarHBondContact CA-O 3.5Å; R201-I255 HydrophobicContact CB-CG2 3.88Å; R201-I255 PolarHBondContact N-O 3.36Å; R201-I255 PolarHBondContact O-N 2.89Å; I255-Q257 HydrophobicContact CG2-CB 4.35Å; I255-Q257 PolarHBondContact O-N 2.93Å; I255-L316 HydrophobicContact CD1-CD1 4.13Å; I255-L316 HydrophobicContact CD1-CD2 3.68Å; I255-L316 HydrophobicContact CD1-CG 4.45Å; I255-L316 HydrophobicContact CG1-CD2 4.29Å; I255-L320 HydrophobicContact CD1-CD1 4.32Å
256L91.7Very high90.8Very high70 Ų7038.5 Ų38.537%0.36623%0.226SC..EExtended strand (participates in β ladder)trans-72.3117170-68.7164.6000108.2V198 I200 L243 Y249V198-L256 HydrophobicContact CG1-CD2 4.11Å; I200-L256 HydrophobicContact CG2-CD2 3.53Å; I200-L256 HydrophobicContact CG2-CG 4.46Å; L243-L256 HydrophobicContact CB-CD2 4Å; L243-L256 HydrophobicContact CD1-CD2 3.95Å; Y249-L256 HydrophobicContact CE2-CD1 4.33Å; Y249-L256 HydrophobicContact CE2-CG 4.29Å
257Q89.7Confident90.8Very high18 Ų1842.6 Ų42.68%0.08426%0.26CS..  trans-154.7130.7-174.1-175.6174.214.500109.9T199 R201 I255 M262 G285T199-Q257 CarbonylContact C-O 3.39Å; T199-Q257 WeakPolarHBondContact CB-O 3.4Å; T199-Q257 CarbonylContact O-C 3.59Å; T199-Q257 PolarHBondContact O-N 2.81Å; T199-Q257 PolarHBondContact OG1-O 2.77Å; R201-Q257 HydrophobicContact CB-CB 4.46Å; R201-Q257 VanDerWaalsContact CD-OE1 3.24Å; I255-Q257 HydrophobicContact CG2-CB 4.35Å; I255-Q257 PolarHBondContact O-N 2.93Å; Q257-M262 HydrophobicContact CB-CE 4.49Å; Q257-G285 PolarHBondContact NE2-O 3.18Å
258G89.5Confident90.7Very high21 Ų2144.1 Ų44.122%0.21626%0.264CS..  trans-59.3143.9176.500000112.6T199 S260 S261T199-G258 VanDerWaalsContact OG1-C 3.3Å; T199-G258 VanDerWaalsContact OG1-CA 3.23Å; T199-G258 WeakPolarHBondContact OG1-CA 3.16Å; G258-S260 VanDerWaalsContact C-N 3.32Å; G258-S260 PolarHBondContact O-N 3.5Å; G258-S261 VanDerWaalsContact O-CB 3.3Å; G258-S261 WeakPolarHBondContact O-CB 3.3Å; G258-S261 PolarHBondContact O-N 2.93Å
259A91Very high90.6Very high25 Ų2546.7 Ų46.721%0.20728%0.284CS..G310 helixtrans-53-46.9179.400000112.7T199 L226 W229 S261 M262T199-A259 HydrophobicContact CG2-CB 4.25Å; T199-A259 PolarHBondContact OG1-N 3.23Å; L226-A259 HydrophobicContact CD1-CB 4.23Å; L226-A259 HydrophobicContact CD2-CB 4.01Å; W229-A259 HydrophobicContact CH2-CB 4.05Å; W229-A259 HydrophobicContact CZ2-CB 4.28Å; A259-S261 PolarHBondContact O-N 3.1Å; A259-S261 VanDerWaalsContact O-N 3.13Å; A259-M262 WeakPolarHBondContact O-CB 3.38Å; A259-M262 PolarHBondContact O-N 2.77Å
260S89.5Confident90.3Very high68 Ų6844.3 Ų44.348%0.47628%0.275SS..G310 helixtrans-60.1-25.7177.859.90000113.2G258 M262 L263 P264G258-S260 VanDerWaalsContact C-N 3.32Å; G258-S260 PolarHBondContact O-N 3.5Å; S260-M262 PolarHBondContact O-N 2.82Å; S260-L263 PolarHBondContact O-N 3.29Å; S260-P264 VanDerWaalsContact O-CD 3.29Å; S260-P264 WeakPolarHBondContact O-CD 3.35Å
261S88Confident90.2Very high37 Ų3744.5 Ų44.526%0.25927%0.273SS..G310 helixtrans-73.5-15.3178.7-78.40000114.1G258 A259 K286G258-S261 VanDerWaalsContact O-CB 3.3Å; G258-S261 WeakPolarHBondContact O-CB 3.3Å; G258-S261 PolarHBondContact O-N 2.93Å; A259-S261 PolarHBondContact O-N 3.1Å; A259-S261 VanDerWaalsContact O-N 3.13Å; S261-K286 VanDerWaalsContact CA-NZ 3.29Å; S261-K286 PolarHBondContact O-NZ 3.26Å; S261-K286 PolarHBondContact OG-NZ 2.76Å
262M89.6Confident89.9Confident0 Ų050 Ų500%030%0.296CS..THydrogen-bonded Turntrans-84.1-28.4176.5-53.2-174.1-16000112R201 L226 Q257 A259 S260 V265 M266 Y289R201-M262 HydrophobicContact CB-CE 3.72Å; R201-M262 HydrophobicContact CB-SD 4.23Å; R201-M262 HydrophobicContact CG-CE 4.41Å; R201-M262 HydrophobicContact CG-SD 4.27Å; L226-M262 HydrophobicContact CD2-SD 4.48Å; Q257-M262 HydrophobicContact CB-CE 4.49Å; A259-M262 WeakPolarHBondContact O-CB 3.38Å; A259-M262 PolarHBondContact O-N 2.77Å; S260-M262 PolarHBondContact O-N 2.82Å; M262-V265 PolarHBondContact O-N 2.79Å; M262-M266 HydrophobicContact CB-SD 4.46Å; M262-M266 WeakPolarHBondContact O-CG 3.27Å; M262-M266 PolarHBondContact O-N 3.33Å; M262-M266 VanDerWaalsContact O-N 3.15Å; M262-Y289 HydrophobicContact CB-CE1 4.14Å
263L91.3Very high89.6Confident84 Ų8452.8 Ų52.844%0.4433%0.325SS..Hα-helixtrans-58-45.3-174.3-64172.7000113.6W229 S260 V265 M266 A267W229-L263 HydrophobicContact CD2-CD2 4.33Å; W229-L263 HydrophobicContact CE3-CD2 3.84Å; W229-L263 HydrophobicContact CH2-CD2 4.01Å; W229-L263 HydrophobicContact CH2-CG 4.44Å; W229-L263 HydrophobicContact CZ2-CD2 4.48Å; W229-L263 HydrophobicContact CZ3-CD2 3.67Å; W229-L263 HydrophobicContact CZ3-CG 4.39Å; S260-L263 PolarHBondContact O-N 3.29Å; L263-V265 VanDerWaalsContact C-N 3.3Å; L263-V265 PolarHBondContact O-N 3.44Å; L263-M266 PolarHBondContact O-N 3.3Å; L263-M266 VanDerWaalsContact O-N 3.14Å; L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 3.49Å
264P90.3Very high89.3Confident66 Ų6654.1 Ų54.143%0.42933%0.331SS..Hα-helixtrans-60.6-37.2-179.4-2635.6000113.5S260 A267 L268S260-P264 VanDerWaalsContact O-CD 3.29Å; S260-P264 WeakPolarHBondContact O-CD 3.35Å; P264-A267 PolarHBondContact O-N 3.27Å; P264-L268 WeakPolarHBondContact O-CB 3.48Å; P264-L268 PolarHBondContact O-N 2.93Å
265V88.6Confident88.7Confident5 Ų563.8 Ų63.83%0.0337%0.368CS..Hα-helixtrans-74.3-33.7179.5-178.90000110.9M262 L263 L268 S269 P270 K286 Y289 I290M262-V265 PolarHBondContact O-N 2.79Å; L263-V265 VanDerWaalsContact C-N 3.3Å; L263-V265 PolarHBondContact O-N 3.44Å; V265-L268 PolarHBondContact O-N 2.83Å; V265-S269 PolarHBondContact O-N 2.92Å; V265-P270 WeakPolarHBondContact O-CD 3.28Å; V265-K286 HydrophobicContact CG2-CB 3.89Å; V265-K286 HydrophobicContact CG2-CG 4.43Å; V265-Y289 HydrophobicContact CB-CD1 3.57Å; V265-Y289 HydrophobicContact CB-CE1 4.1Å; V265-Y289 HydrophobicContact CB-CG 4.18Å; V265-Y289 HydrophobicContact CG1-CD1 3.61Å; V265-Y289 HydrophobicContact CG1-CD2 4.41Å; V265-Y289 HydrophobicContact CG1-CE1 4.16Å; V265-Y289 HydrophobicContact CG1-CG 3.74Å; V265-Y289 HydrophobicContact CG2-CD1 4.08Å; V265-I290 HydrophobicContact CB-CG1 4.47Å; V265-I290 HydrophobicContact CG1-CG1 3.73Å; V265-I290 HydrophobicContact CG2-CD1 4.37Å; V265-I290 HydrophobicContact CG2-CG1 4Å
266M88.9Confident88.2Confident55 Ų5564.3 Ų64.327%0.27137%0.37SS..Hα-helixtrans-68.5-41.5173.5-68.6176.954.300111.7W229 M262 L263 L268 S269 Y289W229-M266 HydrophobicContact CE3-CE 3.87Å; W229-M266 HydrophobicContact CE3-SD 3.84Å; W229-M266 HydrophobicContact CZ3-SD 3.9Å; W229-M266 WeakPolarHBondContact O-CE 3.4Å; M262-M266 HydrophobicContact CB-SD 4.46Å; M262-M266 WeakPolarHBondContact O-CG 3.27Å; M262-M266 PolarHBondContact O-N 3.33Å; M262-M266 VanDerWaalsContact O-N 3.15Å; L263-M266 PolarHBondContact O-N 3.3Å; L263-M266 VanDerWaalsContact O-N 3.14Å; M266-L268 VanDerWaalsContact C-N 3.33Å; M266-S269 PolarHBondContact O-N 2.9Å; M266-S269 PolarHBondContact O-OG 2.94Å; M266-Y289 HydrophobicContact CG-CE1 4.03Å
267A91.4Very high87.8Confident86 Ų8665.8 Ų65.871%0.71138%0.378SS*.Hα-helixtrans-63.6-39.5174.500000111.7L263 P264 S269L263-A267 WeakPolarHBondContact O-CB 3.48Å; L263-A267 PolarHBondContact O-N 3.49Å; P264-A267 PolarHBondContact O-N 3.27Å; A267-S269 PolarHBondContact O-N 3.31Å
268L90.3Very high87.4Confident100 Ų10066.1 Ų66.152%0.52438%0.38SS..Hα-helixtrans-61.8-30.3174.9-17663.5000112.7P264 V265 M266 I276 I290P264-L268 WeakPolarHBondContact O-CB 3.48Å; P264-L268 PolarHBondContact O-N 2.93Å; V265-L268 PolarHBondContact O-N 2.83Å; M266-L268 VanDerWaalsContact C-N 3.33Å; L268-I276 HydrophobicContact CD2-CG2 4.32Å; L268-I290 HydrophobicContact CD2-CD1 4.23Å; L268-I290 HydrophobicContact CD2-CG1 4.47Å
269S89.6Confident87Confident74 Ų7470.1 Ų70.152%0.51740%0.396SS..  trans46.255178.1-74.20000114.4V265 M266 A267 Q271V265-S269 PolarHBondContact O-N 2.92Å; M266-S269 PolarHBondContact O-N 2.9Å; M266-S269 PolarHBondContact O-OG 2.94Å; A267-S269 PolarHBondContact O-N 3.31Å; S269-Q271 PolarHBondContact O-NE2 2.92Å
270P87.8Confident86.3Confident4 Ų473 Ų733%0.02641%0.414CS..PPolyproline II helixtrans-61.8139.7-175.428.8-38.4000112.7V265 I276 F293V265-P270 WeakPolarHBondContact O-CD 3.28Å; P270-I276 HydrophobicContact CB-CD1 3.31Å; P270-I276 HydrophobicContact CG-CD1 4.46Å; P270-F293 HydrophobicContact CB-CB 3.95Å; P270-F293 HydrophobicContact CB-CD2 4.3Å; P270-F293 HydrophobicContact CB-CG 4.21Å; P270-F293 HydrophobicContact CG-CB 3.97Å; P270-F293 HydrophobicContact CG-CD1 4.46Å; P270-F293 HydrophobicContact CG-CD2 3.38Å; P270-F293 HydrophobicContact CG-CE2 3.86Å; P270-F293 HydrophobicContact CG-CG 3.7Å; P270-F293 VanDerWaalsContact O-CD1 3.23Å; P270-F293 WeakPolarHBondContact O-CD1 3.44Å; P270-F293 WeakPolarHBondContact O-CG 3.47Å
271Q88Confident85.5Confident111 Ų11170.1 Ų70.152%0.51939%0.394SS..PPolyproline II helixtrans-98161.6179.4-54.6-59.5-47.400112.8S269 G273 E274S269-Q271 PolarHBondContact O-NE2 2.92Å; Q271-G273 PolarHBondContact O-N 2.89Å; Q271-E274 VanDerWaalsContact CB-CD 3.48Å; Q271-E274 HydrophobicContact CB-CG 3.93Å; Q271-E274 PolarHBondContact N-OE2 3.26Å; Q271-E274 PolarHBondContact O-N 3.14Å
272L84.6Confident84.6Confident156 Ų15670.4 Ų70.482%0.81740%0.399SS*.THydrogen-bonded Turntrans-65.6123-179.4-170.264.3000111.1F293L272-F293 WeakPolarHBondContact CA-O 3.32Å; L272-F293 VanDerWaalsContact CD1-O 3.25Å; L272-F293 WeakPolarHBondContact CD1-O 3.34Å
273G82.8Confident83.5Confident58 Ų5874.7 Ų74.760%0.59843%0.427SS*.THydrogen-bonded Turntrans87.20.3178.100000115.2Q271 F293Q271-G273 PolarHBondContact O-N 2.89Å; G273-F293 PolarHBondContact N-O 3.14Å
274E86.2Confident82.7Confident88 Ų8870.8 Ų70.841%0.41141%0.406SS..  trans-67.7150172.4-73.6-179.4163.600111.9Q271 I276 I295Q271-E274 VanDerWaalsContact CB-CD 3.48Å; Q271-E274 HydrophobicContact CB-CG 3.93Å; Q271-E274 PolarHBondContact N-OE2 3.26Å; Q271-E274 PolarHBondContact O-N 3.14Å; E274-I276 HydrophobicContact CB-CG1 4.34Å; E274-I295 PolarHBondContact O-N 3.32Å
275R82.1Confident82.2Confident204 Ų20468.1 Ų68.177%0.7739%0.391SS*.EExtended strand (participates in β ladder)trans-97.4110.8175.4-76-169.5-51.5172.4-5108.7V297R275-V297 HydrophobicContact CB-CG2 3.43Å; R275-V297 VanDerWaalsContact CB-CG2 3.43Å; R275-V297 HydrophobicContact CG-CG2 3.42Å; R275-V297 VanDerWaalsContact CG-CG2 3.42Å
276I81.9Confident82.1Confident20 Ų2071.6 Ų71.610%0.10341%0.406CS..EExtended strand (participates in β ladder)trans-114.6133.6-174.9-58.3167.2000109.5L268 P270 E274 I290 I295 V297L268-I276 HydrophobicContact CD2-CG2 4.32Å; P270-I276 HydrophobicContact CB-CD1 3.31Å; P270-I276 HydrophobicContact CG-CD1 4.46Å; E274-I276 HydrophobicContact CB-CG1 4.34Å; I276-I290 HydrophobicContact CB-CG2 3.92Å; I276-I290 HydrophobicContact CD1-CG2 3.49Å; I276-I290 VanDerWaalsContact CD1-CG2 3.49Å; I276-I290 HydrophobicContact CG1-CG2 4.3Å; I276-I290 HydrophobicContact CG2-CD1 4.36Å; I276-I290 HydrophobicContact CG2-CG2 3.78Å; I276-I295 PolarHBondContact N-O 3.3Å; I276-V297 PolarHBondContact O-N 3.35Å
277L82.2Confident81.9Confident102 Ų10269.7 Ų69.753%0.53440%0.397SS..EExtended strand (participates in β ladder)trans-104.9121.5177.6177.662.7000109.2L279L277-L279 HydrophobicContact CD2-CD2 3.74Å; L277-L279 HydrophobicContact CG-CD2 3.92Å
278D81.5Confident81.5Confident25 Ų2565.8 Ų65.813%0.13437%0.365CS..EExtended strand (participates in β ladder)trans-103.4107.7173.9-169.1-14000109.6C280 T287 L296 G298 V299 L300D278-C280 PolarHBondContact OD1-N 3.44Å; D278-T287 HydrophobicContact CB-CG2 4.39Å; D278-T287 WeakPolarHBondContact OD2-CB 3.38Å; D278-T287 PolarHBondContact OD2-OG1 3.22Å; D278-L296 HydrophobicContact CB-CD1 4.28Å; D278-G298 PolarHBondContact N-O 3.42Å; D278-G298 VanDerWaalsContact N-O 3.13Å; D278-V299 WeakPolarHBondContact O-CA 3.42Å; D278-L300 PolarHBondContact O-N 2.91Å; D278-L300 VanDerWaalsContact O-N 3.15Å
279L80.7Confident81.3Confident104 Ų10462 Ų6255%0.54534%0.343SS..SBendtrans-74.5-25.6-174.4-64.2178.4000113.5L277 L300L277-L279 HydrophobicContact CD2-CD2 3.74Å; L277-L279 HydrophobicContact CG-CD2 3.92Å; L279-L300 HydrophobicContact CD2-CD1 3.73Å; L279-L300 WeakPolarHBondContact O-CB 3.39Å
280C77.7Confident81.1Confident87 Ų8759 Ų5959%0.58832%0.322SS*.  trans-143.770.1-173.9-78.90000109.9D278 A282D278-C280 PolarHBondContact OD1-N 3.44Å; C280-A282 PolarHBondContact O-N 3.42Å
281A71.6Confident80.6Confident7 Ų759.8 Ų59.86%0.05833%0.33CS..  trans-72.6-24.4-169.400000114.6G284 T287 V299 V313A281-G284 VanDerWaalsContact O-CA 3.23Å; A281-G284 WeakPolarHBondContact O-CA 3.36Å; A281-G284 PolarHBondContact O-N 3.39Å; A281-T287 WeakPolarHBondContact CB-OG1 3.49Å; A281-V299 HydrophobicContact CB-CB 4.46Å; A281-V299 HydrophobicContact CB-CG1 3.41Å; A281-V299 VanDerWaalsContact CB-CG1 3.41Å; A281-V299 HydrophobicContact CB-CG2 4.32Å; A281-V313 HydrophobicContact CB-CG1 4.34Å
282A70.1Confident80Confident43 Ų4357.9 Ų57.936%0.35532%0.32SS..THydrogen-bonded Turntrans-66.2126.8-172.500000112.6C280 V305 V313C280-A282 PolarHBondContact O-N 3.42Å; A282-V305 HydrophobicContact CB-CG1 4.11Å; A282-V305 HydrophobicContact CB-CG2 4.43Å; A282-V313 VanDerWaalsContact CA-CG2 3.46Å; A282-V313 HydrophobicContact CB-CG2 3.57Å
283P65.8Low79.6Confident90 Ų9053.4 Ų53.458%0.58429%0.294SS*.THydrogen-bonded Turncis-98.946.210.839-38.1000116.3G285 L316P283-G285 PolarHBondContact O-N 3.31Å; P283-L316 WeakPolarHBondContact O-CD1 3.43Å
284G74.1Confident78.8Confident1 Ų151.3 Ų51.31%0.0127%0.273CS..SBendtrans68.7-8.6170.600000117.7A281 K286 T287 T288A281-G284 VanDerWaalsContact O-CA 3.23Å; A281-G284 WeakPolarHBondContact O-CA 3.36Å; A281-G284 PolarHBondContact O-N 3.39Å; G284-K286 VanDerWaalsContact C-N 3.35Å; G284-K286 PolarHBondContact O-N 2.89Å; G284-T287 PolarHBondContact O-N 3.38Å; G284-T288 WeakPolarHBondContact O-CB 3.35Å; G284-T288 WeakPolarHBondContact O-CG2 3.32Å; G284-T288 PolarHBondContact O-N 3.48Å; G284-T288 PolarHBondContact O-OG1 3.01Å
285G81.6Confident77.5Confident11 Ų1153.1 Ų53.111%0.11328%0.284CS..THydrogen-bonded Turntrans-65.5-30.8-172.500000115.1R201 Q257 P283 T288R201-G285 PolarHBondContact NH2-O 3.2Å; Q257-G285 PolarHBondContact NE2-O 3.18Å; P283-G285 PolarHBondContact O-N 3.31Å; G285-T288 WeakPolarHBondContact CA-OG1 3.32Å; G285-T288 PolarHBondContact O-OG1 3.42Å; G285-T288 VanDerWaalsContact O-OG1 3.05Å
286K85.5Confident76.4Confident78 Ų7845.9 Ų45.934%0.33926%0.261SS..THydrogen-bonded Turntrans-82.7-43.6176.6-58.1-171.8-162.9-52.70111.3S261 V265 G284 T288 Y289 I290S261-K286 VanDerWaalsContact CA-NZ 3.29Å; S261-K286 PolarHBondContact O-NZ 3.26Å; S261-K286 PolarHBondContact OG-NZ 2.76Å; V265-K286 HydrophobicContact CG2-CB 3.89Å; V265-K286 HydrophobicContact CG2-CG 4.43Å; G284-K286 VanDerWaalsContact C-N 3.35Å; G284-K286 PolarHBondContact O-N 2.89Å; K286-T288 VanDerWaalsContact C-N 3.28Å; K286-T288 PolarHBondContact O-N 2.93Å; K286-Y289 WeakPolarHBondContact O-CA 3.47Å; K286-Y289 WeakPolarHBondContact O-CB 3.33Å; K286-Y289 PolarHBondContact O-N 3.1Å; K286-I290 WeakPolarHBondContact O-CG1 3.3Å; K286-I290 PolarHBondContact O-N 3.39Å
287T84.1Confident75Confident14 Ų1449.1 Ų49.19%0.08628%0.281CS..Hα-helixtrans-54.4-44.9175.1-34.40000111.5D278 A281 G284 Y289 I290 G291 L296 V299D278-T287 HydrophobicContact CB-CG2 4.39Å; D278-T287 WeakPolarHBondContact OD2-CB 3.38Å; D278-T287 PolarHBondContact OD2-OG1 3.22Å; A281-T287 WeakPolarHBondContact CB-OG1 3.49Å; G284-T287 PolarHBondContact O-N 3.38Å; T287-Y289 PolarHBondContact O-N 2.97Å; T287-I290 PolarHBondContact O-N 3.35Å; T287-I290 VanDerWaalsContact O-N 3.17Å; T287-G291 PolarHBondContact O-N 2.78Å; T287-L296 HydrophobicContact CG2-CD1 3.87Å; T287-L296 HydrophobicContact CG2-CD2 3.41Å; T287-L296 VanDerWaalsContact CG2-CD2 3.41Å; T287-L296 HydrophobicContact CG2-CG 4.3Å; T287-V299 HydrophobicContact CG2-CG2 4.34Å
288T83.6Confident73.7Confident4 Ų445.2 Ų45.23%0.02527%0.266CS..Hα-helixtrans-70.8-9175.8540000113.7R201 G284 G285 K286 L316 P317 L320 F322R201-T288 PolarHBondContact NH1-O 2.76Å; R201-T288 VanDerWaalsContact NH2-C 3.26Å; R201-T288 PolarHBondContact NH2-O 3.19Å; R201-T288 PolarHBondContact NH2-OG1 2.93Å; G284-T288 WeakPolarHBondContact O-CB 3.35Å; G284-T288 WeakPolarHBondContact O-CG2 3.32Å; G284-T288 PolarHBondContact O-N 3.48Å; G284-T288 PolarHBondContact O-OG1 3.01Å; G285-T288 WeakPolarHBondContact CA-OG1 3.32Å; G285-T288 PolarHBondContact O-OG1 3.42Å; G285-T288 VanDerWaalsContact O-OG1 3.05Å; K286-T288 VanDerWaalsContact C-N 3.28Å; K286-T288 PolarHBondContact O-N 2.93Å; T288-L316 HydrophobicContact CG2-CB 4.42Å; T288-P317 HydrophobicContact CG2-CG 4.42Å; T288-L320 HydrophobicContact CG2-CD1 3.55Å; T288-F322 HydrophobicContact CG2-CD2 4.2Å; T288-F322 HydrophobicContact CG2-CE2 3.96Å; T288-F322 WeakPolarHBondContact O-CE2 3.16Å; T288-F322 WeakPolarHBondContact O-CZ 3.5Å
289Y86.1Confident72.5Confident20 Ų2046.8 Ų46.88%0.07828%0.276CS..Hα-helixtrans-91.6-37.8169.1-164.2-168.9000111.2R201 V232 M262 V265 M266 K286 T287 K292R201-Y289 VanDerWaalsContact CZ-CB 3.49Å; R201-Y289 VanDerWaalsContact NH1-CB 3.33Å; V232-Y289 HydrophobicContact CG2-CE2 4.25Å; V232-Y289 WeakPolarHBondContact CG2-OH 3.27Å; M262-Y289 HydrophobicContact CB-CE1 4.14Å; V265-Y289 HydrophobicContact CB-CD1 3.57Å; V265-Y289 HydrophobicContact CB-CE1 4.1Å; V265-Y289 HydrophobicContact CB-CG 4.18Å; V265-Y289 HydrophobicContact CG1-CD1 3.61Å; V265-Y289 HydrophobicContact CG1-CD2 4.41Å; V265-Y289 HydrophobicContact CG1-CE1 4.16Å; V265-Y289 HydrophobicContact CG1-CG 3.74Å; V265-Y289 HydrophobicContact CG2-CD1 4.08Å; M266-Y289 HydrophobicContact CG-CE1 4.03Å; K286-Y289 WeakPolarHBondContact O-CA 3.47Å; K286-Y289 WeakPolarHBondContact O-CB 3.33Å; K286-Y289 PolarHBondContact O-N 3.1Å; T287-Y289 PolarHBondContact O-N 2.97Å; Y289-K292 WeakPolarHBondContact O-CB 3.29Å
290I84.9Confident71Confident13 Ų1346.7 Ų46.77%0.06728%0.275CS..Hα-helixtrans-64.5-46.4174.9-66.6168.8000111.5V265 L268 I276 K286 T287 K292 F293 L296V265-I290 HydrophobicContact CB-CG1 4.47Å; V265-I290 HydrophobicContact CG1-CG1 3.73Å; V265-I290 HydrophobicContact CG2-CD1 4.37Å; V265-I290 HydrophobicContact CG2-CG1 4Å; L268-I290 HydrophobicContact CD2-CD1 4.23Å; L268-I290 HydrophobicContact CD2-CG1 4.47Å; I276-I290 HydrophobicContact CB-CG2 3.92Å; I276-I290 HydrophobicContact CD1-CG2 3.49Å; I276-I290 VanDerWaalsContact CD1-CG2 3.49Å; I276-I290 HydrophobicContact CG1-CG2 4.3Å; I276-I290 HydrophobicContact CG2-CD1 4.36Å; I276-I290 HydrophobicContact CG2-CG2 3.78Å; K286-I290 WeakPolarHBondContact O-CG1 3.3Å; K286-I290 PolarHBondContact O-N 3.39Å; T287-I290 PolarHBondContact O-N 3.35Å; T287-I290 VanDerWaalsContact O-N 3.17Å; I290-K292 PolarHBondContact O-N 3.03Å; I290-F293 PolarHBondContact O-N 3.01Å; I290-L296 HydrophobicContact CG2-CD1 4.21Å
291G78.5Confident69.8Low20 Ų2046.2 Ų46.221%0.20627%0.265CS..THydrogen-bonded Turntrans-58.6-16.5-175.100000114.2T287 F293 F322T287-G291 PolarHBondContact O-N 2.78Å; G291-F293 PolarHBondContact O-N 2.6Å; G291-F322 WeakPolarHBondContact O-CE1 3.27Å
292K75.4Confident68.6Low70 Ų7050.6 Ų50.630%0.30429%0.288SS..THydrogen-bonded Turntrans-57.8-32.4171.4179.4-169.7172.4170.90112T204 L205 Y289 I290T204-K292 WeakPolarHBondContact OG1-CD 3.19Å; T204-K292 WeakPolarHBondContact OG1-CE 3.36Å; T204-K292 PolarHBondContact OG1-NZ 3.04Å; L205-K292 HydrophobicContact CD2-CG 4.15Å; Y289-K292 WeakPolarHBondContact O-CB 3.29Å; I290-K292 PolarHBondContact O-N 3.03Å
293F74.6Confident67.2Low62 Ų6257.7 Ų57.727%0.27231%0.314SS..THydrogen-bonded Turntrans-101.8-34.6-170.8-60-88.4000112.5P270 L272 G273 I290 G291P270-F293 HydrophobicContact CB-CB 3.95Å; P270-F293 HydrophobicContact CB-CD2 4.3Å; P270-F293 HydrophobicContact CB-CG 4.21Å; P270-F293 HydrophobicContact CG-CB 3.97Å; P270-F293 HydrophobicContact CG-CD1 4.46Å; P270-F293 HydrophobicContact CG-CD2 3.38Å; P270-F293 HydrophobicContact CG-CE2 3.86Å; P270-F293 HydrophobicContact CG-CG 3.7Å; P270-F293 VanDerWaalsContact O-CD1 3.23Å; P270-F293 WeakPolarHBondContact O-CD1 3.44Å; P270-F293 WeakPolarHBondContact O-CG 3.47Å; L272-F293 WeakPolarHBondContact CA-O 3.32Å; L272-F293 VanDerWaalsContact CD1-O 3.25Å; L272-F293 WeakPolarHBondContact CD1-O 3.34Å; G273-F293 PolarHBondContact N-O 3.14Å; I290-F293 PolarHBondContact O-N 3.01Å; G291-F293 PolarHBondContact O-N 2.6Å
294G66.3Low66.2Low15 Ų1560.7 Ų60.716%0.15533%0.325CS..SBendtrans-148.8174.3-169.500000114.5L296G294-L296 PolarHBondContact O-N 3.27Å
295I59.5Low64.9Low125 Ų12563.2 Ų63.264%0.64134%0.34SS*.EExtended strand (participates in β ladder)trans-79.9120173.3-60.8174.1000107.2E274 I276 V297E274-I295 PolarHBondContact O-N 3.32Å; I276-I295 PolarHBondContact N-O 3.3Å; I295-V297 PolarHBondContact O-N 3.38Å
296L59.7Low62.7Low53 Ų5372.6 Ų72.628%0.27737%0.372SS..EExtended strand (participates in β ladder)trans-76.3116.3174-160.289.3000108.9D278 T287 I290 G294 V299D278-L296 HydrophobicContact CB-CD1 4.28Å; T287-L296 HydrophobicContact CG2-CD1 3.87Å; T287-L296 HydrophobicContact CG2-CD2 3.41Å; T287-L296 VanDerWaalsContact CG2-CD2 3.41Å; T287-L296 HydrophobicContact CG2-CG 4.3Å; I290-L296 HydrophobicContact CG2-CD1 4.21Å; G294-L296 PolarHBondContact O-N 3.27Å; L296-V299 HydrophobicContact CD2-CG2 3.26Å
297V51.6Low60.4Low88 Ų8876.2 Ų76.253%0.53339%0.393SS..EExtended strand (participates in β ladder)trans-87-17.6-174.2176.10000112.7R275 I276 I295R275-V297 HydrophobicContact CB-CG2 3.43Å; R275-V297 VanDerWaalsContact CB-CG2 3.43Å; R275-V297 HydrophobicContact CG-CG2 3.42Å; R275-V297 VanDerWaalsContact CG-CG2 3.42Å; I276-V297 PolarHBondContact O-N 3.35Å; I295-V297 PolarHBondContact O-N 3.38Å
298G54.4Low58.4Low20 Ų2079.7 Ų79.721%0.20642%0.418CS..EExtended strand (participates in β ladder)trans-164.6143.8176.200000112.1D278D278-G298 PolarHBondContact N-O 3.42Å; D278-G298 VanDerWaalsContact N-O 3.13Å
299V55.9Low56.4Low57 Ų5780.3 Ų80.335%0.34543%0.425SS..EExtended strand (participates in β ladder)trans-116.2111.8160.8174.10000106.1D278 A281 T287 L296 M301D278-V299 WeakPolarHBondContact O-CA 3.42Å; A281-V299 HydrophobicContact CB-CB 4.46Å; A281-V299 HydrophobicContact CB-CG1 3.41Å; A281-V299 VanDerWaalsContact CB-CG1 3.41Å; A281-V299 HydrophobicContact CB-CG2 4.32Å; T287-V299 HydrophobicContact CG2-CG2 4.34Å; L296-V299 HydrophobicContact CD2-CG2 3.26Å; V299-M301 HydrophobicContact CG1-CE 4.42Å; V299-M301 HydrophobicContact CG1-CG 3.87Å; V299-M301 PolarHBondContact O-N 3.24Å
300L50.6Low54.3Low103 Ų10381.9 Ų81.954%0.53944%0.437SS..  trans-80.3109.3163.3-85.6160.3000107.2D278 L279 N302D278-L300 PolarHBondContact O-N 2.91Å; D278-L300 VanDerWaalsContact O-N 3.15Å; L279-L300 HydrophobicContact CD2-CD1 3.73Å; L279-L300 WeakPolarHBondContact O-CB 3.39Å; L300-N302 PolarHBondContact O-N 3.21Å
301M52.3Low52.2Low77 Ų7784.4 Ų84.438%0.37946%0.455SS..  trans-82.6110.1164.8-64.7-146.3-166.300107.2V299 Q303 V310 V313 L314V299-M301 HydrophobicContact CG1-CE 4.42Å; V299-M301 HydrophobicContact CG1-CG 3.87Å; V299-M301 PolarHBondContact O-N 3.24Å; M301-Q303 PolarHBondContact O-N 3.02Å; M301-Q303 VanDerWaalsContact O-N 3.15Å; M301-V310 HydrophobicContact SD-CG1 4.1Å; M301-V313 HydrophobicContact CE-CB 3.63Å; M301-V313 HydrophobicContact CE-CG1 3.27Å; M301-V313 HydrophobicContact SD-CB 4.21Å; M301-V313 HydrophobicContact SD-CG1 4.19Å; M301-L314 HydrophobicContact CE-CD2 4.4Å; M301-L314 HydrophobicContact CE-CG 4.5Å
302N45.2Very low50.8Low99 Ų9985.1 Ų85.153%0.52946%0.457SS..  trans-59.7119.1173.8-145.8-9.8000108L300 N304 V305L300-N302 PolarHBondContact O-N 3.21Å; N302-N304 PolarHBondContact O-N 3.17Å; N302-V305 HydrophobicContact CB-CG2 4.23Å; N302-V305 WeakPolarHBondContact O-CG2 3.34Å; N302-V305 PolarHBondContact O-N 3.44Å
303Q42.6Very low49.6Very low191 Ų19182.1 Ų82.189%0.89345%0.445SS*.THydrogen-bonded Turntrans-63.2-12.6-170.5-67.4-160-9.100113.9M301M301-Q303 PolarHBondContact O-N 3.02Å; M301-Q303 VanDerWaalsContact O-N 3.15Å
304N44Very low48.6Very low153 Ų15384.6 Ų84.682%0.81846%0.461SS*.THydrogen-bonded Turntrans-90.35.4177-69.4-23.9000114.4N302 R306N302-N304 PolarHBondContact O-N 3.17Å; N304-R306 PolarHBondContact O-N 3.36Å
305V47.1Very low48.1Very low54 Ų5489.4 Ų89.433%0.32748%0.482SS..SBendtrans-76.7114.7170.2179.90000108.3A282 N302 I307A282-V305 HydrophobicContact CB-CG1 4.11Å; A282-V305 HydrophobicContact CB-CG2 4.43Å; N302-V305 HydrophobicContact CB-CG2 4.23Å; N302-V305 WeakPolarHBondContact O-CG2 3.34Å; N302-V305 PolarHBondContact O-N 3.44Å; V305-I307 PolarHBondContact O-N 3.46Å
306R35.1Very low48.1Very low209 Ų20984.5 Ų84.579%0.78946%0.457SS*.  trans-37.5139.6174.5-61.8179.8-144.2156.26.5110.7N304 S308 G309N304-R306 PolarHBondContact O-N 3.36Å; R306-S308 PolarHBondContact O-N 2.93Å; R306-G309 PolarHBondContact O-N 2.87Å
307I37.7Very low48.1Very low153 Ų15383.6 Ų83.679%0.78545%0.454SS*.Hα-helixtrans-47.1-26.8-179.4-63.9166.2000112.9V305 V310V305-I307 PolarHBondContact O-N 3.46Å; I307-V310 PolarHBondContact O-N 2.85Å
308S41Very low48.5Very low88 Ų8885.9 Ų85.962%0.61546%0.459SS*.Hα-helixtrans-61.7-37.8173.356.70000114.4R306R306-S308 PolarHBondContact O-N 2.93Å
309G42Very low48.6Very low16 Ų1687.6 Ų87.617%0.16546%0.463CS..Hα-helixtrans-72.2-35.9178.700000112.7R306 S311 S312 V313R306-G309 PolarHBondContact O-N 2.87Å; G309-S311 VanDerWaalsContact C-N 3.32Å; G309-S311 PolarHBondContact O-N 3.43Å; G309-S312 PolarHBondContact O-N 2.87Å; G309-S312 VanDerWaalsContact O-N 3.1Å; G309-S312 PolarHBondContact O-OG 3.44Å; G309-V313 WeakPolarHBondContact O-CG2 3.41Å; G309-V313 PolarHBondContact O-N 3Å
310V41.7Very low48.7Very low53 Ų5385 Ų8532%0.32145%0.447SS..Hα-helixtrans-61.3-39.3-177.9-176.40000111.9M301 I307 S312 V313 L314M301-V310 HydrophobicContact SD-CG1 4.1Å; I307-V310 PolarHBondContact O-N 2.85Å; V310-S312 VanDerWaalsContact C-N 3.3Å; V310-S312 PolarHBondContact O-N 3.2Å; V310-V313 PolarHBondContact O-N 3.39Å; V310-L314 HydrophobicContact CG1-CD1 4.39Å; V310-L314 PolarHBondContact O-N 2.85Å
311S40.7Very low48.9Very low66 Ų6683.4 Ų83.446%0.46245%0.445SS..Hα-helixtrans-59.5-41.3176.3-67.50000111.8G309 V313 L314 L315G309-S311 VanDerWaalsContact C-N 3.32Å; G309-S311 PolarHBondContact O-N 3.43Å; S311-V313 VanDerWaalsContact C-N 3.34Å; S311-V313 PolarHBondContact O-N 3.48Å; S311-L314 PolarHBondContact O-N 2.79Å; S311-L315 VanDerWaalsContact O-CB 3.32Å; S311-L315 WeakPolarHBondContact O-CB 3.37Å; S311-L315 WeakPolarHBondContact O-CD1 3.26Å; S311-L315 PolarHBondContact O-N 3.02Å
312S49.8Very low48.7Very low35 Ų3582 Ų8225%0.24544%0.436CS..Hα-helixtrans-65.8-35178.872.20000112.9G309 V310 L316G309-S312 PolarHBondContact O-N 2.87Å; G309-S312 VanDerWaalsContact O-N 3.1Å; G309-S312 PolarHBondContact O-OG 3.44Å; V310-S312 VanDerWaalsContact C-N 3.3Å; V310-S312 PolarHBondContact O-N 3.2Å; S312-L316 VanDerWaalsContact O-CB 3.31Å; S312-L316 WeakPolarHBondContact O-CB 3.28Å; S312-L316 WeakPolarHBondContact O-CD1 3.36Å; S312-L316 WeakPolarHBondContact O-CG 3.34Å; S312-L316 PolarHBondContact O-N 3.14Å; S312-L316 VanDerWaalsContact O-N 3.08Å
313V50.6Low48.3Very low8 Ų889.9 Ų89.95%0.04846%0.461CS..Hα-helixtrans-73.5-29.5-178.9-171.10000112.5A281 A282 M301 G309 V310 S311 P317A281-V313 HydrophobicContact CB-CG1 4.34Å; A282-V313 VanDerWaalsContact CA-CG2 3.46Å; A282-V313 HydrophobicContact CB-CG2 3.57Å; M301-V313 HydrophobicContact CE-CB 3.63Å; M301-V313 HydrophobicContact CE-CG1 3.27Å; M301-V313 HydrophobicContact SD-CB 4.21Å; M301-V313 HydrophobicContact SD-CG1 4.19Å; G309-V313 WeakPolarHBondContact O-CG2 3.41Å; G309-V313 PolarHBondContact O-N 3Å; V310-V313 PolarHBondContact O-N 3.39Å; S311-V313 VanDerWaalsContact C-N 3.34Å; S311-V313 PolarHBondContact O-N 3.48Å; V313-P317 WeakPolarHBondContact O-CD 3.43Å; V313-P317 WeakPolarHBondContact O-CG 3.48Å
314L52.4Low48.6Very low114 Ų11484.8 Ų84.860%0.59744%0.439SS*.Hα-helixtrans-82.5-38.9174.8-68.6170.3000112.2M301 V310 S311M301-L314 HydrophobicContact CE-CD2 4.4Å; M301-L314 HydrophobicContact CE-CG 4.5Å; V310-L314 HydrophobicContact CG1-CD1 4.39Å; V310-L314 PolarHBondContact O-N 2.85Å; S311-L314 PolarHBondContact O-N 2.79Å
315L56.4Low48.8Very low115 Ų11581.2 Ų81.260%0.60242%0.419SS*.Hα-helixtrans-71.2-38.9-177.7-88.7151.8000112.9S311 H318 L319S311-L315 VanDerWaalsContact O-CB 3.32Å; S311-L315 WeakPolarHBondContact O-CB 3.37Å; S311-L315 WeakPolarHBondContact O-CD1 3.26Å; S311-L315 PolarHBondContact O-N 3.02Å; L315-H318 PolarHBondContact O-N 3.3Å; L315-L319 VanDerWaalsContact O-CB 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.46Å; L315-L319 PolarHBondContact O-N 3.23Å
316L59.9Low48.9Very low23 Ų2382.7 Ų82.712%0.1242%0.424CS..Hα-helixtrans-68.5-45.5-172.6-74.9168.3000114.2I255 P283 T288 S312 H318 L319 L320I255-L316 HydrophobicContact CD1-CD1 4.13Å; I255-L316 HydrophobicContact CD1-CD2 3.68Å; I255-L316 HydrophobicContact CD1-CG 4.45Å; I255-L316 HydrophobicContact CG1-CD2 4.29Å; P283-L316 WeakPolarHBondContact O-CD1 3.43Å; T288-L316 HydrophobicContact CG2-CB 4.42Å; S312-L316 VanDerWaalsContact O-CB 3.31Å; S312-L316 WeakPolarHBondContact O-CB 3.28Å; S312-L316 WeakPolarHBondContact O-CD1 3.36Å; S312-L316 WeakPolarHBondContact O-CG 3.34Å; S312-L316 PolarHBondContact O-N 3.14Å; S312-L316 VanDerWaalsContact O-N 3.08Å; L316-H318 VanDerWaalsContact C-N 3.25Å; L316-H318 PolarHBondContact O-N 3.11Å; L316-L319 PolarHBondContact O-N 3.33Å; L316-L320 VanDerWaalsContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CB 3.05Å; L316-L320 WeakPolarHBondContact O-CD1 3.25Å; L316-L320 VanDerWaalsContact O-CG 3.32Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.19Å
317P59.6Low49.7Very low34 Ų3475.3 Ų75.322%0.22140%0.403CS..Hα-helixtrans-60.4-37.5172.5-23.234.5000112.1T288 V313 L320 S321 F322T288-P317 HydrophobicContact CG2-CG 4.42Å; V313-P317 WeakPolarHBondContact O-CD 3.43Å; V313-P317 WeakPolarHBondContact O-CG 3.48Å; P317-L320 PolarHBondContact O-N 3.24Å; P317-S321 PolarHBondContact O-N 2.99Å; P317-F322 HydrophobicContact CB-CB 4.3Å; P317-F322 PolarHBondContact O-N 3.37Å
318H59.7Low50.5Low136 Ų13670.4 Ų70.463%0.6338%0.379SS*.Hα-helixtrans-68.6-43.4179.4-135.6-27.8000112.1L315 L316 L320 S321L315-H318 PolarHBondContact O-N 3.3Å; L316-H318 VanDerWaalsContact C-N 3.25Å; L316-H318 PolarHBondContact O-N 3.11Å; H318-L320 VanDerWaalsContact C-N 3.31Å; H318-L320 PolarHBondContact O-N 2.99Å; H318-S321 PolarHBondContact O-N 3.24Å
319L56.5Low51.1Low56 Ų5669.3 Ų69.329%0.29336%0.363SS..Hα-helixtrans-64.3-36.5176.2-164.279.9000111.7K206 L250 L315 L316 S321K206-L319 PolarHBondContact NZ-O 2.83Å; L250-L319 WeakPolarHBondContact O-CD1 3.49Å; L315-L319 VanDerWaalsContact O-CB 3.31Å; L315-L319 WeakPolarHBondContact O-CB 3.46Å; L315-L319 PolarHBondContact O-N 3.23Å; L316-L319 PolarHBondContact O-N 3.33Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.39Å
320L58.7Low51.8Low2 Ų273.1 Ų73.11%0.0138%0.377CS..THydrogen-bonded Turntrans-87.22.3-177.2-67.1166000113.8N203 G252 I255 T288 L316 P317 H318 F322N203-L320 HydrophobicContact CB-CD2 3.92Å; N203-L320 WeakPolarHBondContact ND2-CD2 3.35Å; N203-L320 PolarHBondContact ND2-O 2.98Å; N203-L320 VanDerWaalsContact ND2-O 3.15Å; G252-L320 VanDerWaalsContact O-CD2 3.25Å; G252-L320 WeakPolarHBondContact O-CD2 3.24Å; I255-L320 HydrophobicContact CD1-CD1 4.32Å; T288-L320 HydrophobicContact CG2-CD1 3.55Å; L316-L320 VanDerWaalsContact O-CB 3.3Å; L316-L320 WeakPolarHBondContact O-CB 3.05Å; L316-L320 WeakPolarHBondContact O-CD1 3.25Å; L316-L320 VanDerWaalsContact O-CG 3.32Å; L316-L320 WeakPolarHBondContact O-CG 3.39Å; L316-L320 PolarHBondContact O-N 3.19Å; P317-L320 PolarHBondContact O-N 3.24Å; H318-L320 VanDerWaalsContact C-N 3.31Å; H318-L320 PolarHBondContact O-N 2.99Å; L320-F322 HydrophobicContact CB-CD2 3.98Å; L320-F322 HydrophobicContact CB-CE2 3.88Å
321S54.6Low52.6Low70 Ų7074.6 Ų74.649%0.4938%0.381SS..THydrogen-bonded Turntrans57.155-178.3-68.50000113.8K206 P317 H318 L319 Y323K206-S321 VanDerWaalsContact CE-CB 3.49Å; K206-S321 VanDerWaalsContact CE-OG 3.24Å; K206-S321 WeakPolarHBondContact CE-OG 2.89Å; K206-S321 PolarHBondContact NZ-OG 3.14Å; P317-S321 PolarHBondContact O-N 2.99Å; H318-S321 PolarHBondContact O-N 3.24Å; L319-S321 VanDerWaalsContact C-N 3.32Å; L319-S321 PolarHBondContact O-N 3.39Å; S321-Y323 VanDerWaalsContact C-N 3.32Å; S321-Y323 PolarHBondContact O-N 3.45Å
322F48Very low53.5Low47 Ų4775.3 Ų75.321%0.20638%0.375CS..  trans-89.570163.9-74.3-74.4000110.6L205 T288 G291 P317 L320L205-F322 HydrophobicContact CD1-CD1 4.24Å; L205-F322 HydrophobicContact CD1-CE1 3.47Å; L205-F322 VanDerWaalsContact CD1-CE1 3.47Å; L205-F322 HydrophobicContact CD1-CE2 4.48Å; L205-F322 HydrophobicContact CD1-CZ 3.64Å; T288-F322 HydrophobicContact CG2-CD2 4.2Å; T288-F322 HydrophobicContact CG2-CE2 3.96Å; T288-F322 WeakPolarHBondContact O-CE2 3.16Å; T288-F322 WeakPolarHBondContact O-CZ 3.5Å; G291-F322 WeakPolarHBondContact O-CE1 3.27Å; P317-F322 HydrophobicContact CB-CB 4.3Å; P317-F322 PolarHBondContact O-N 3.37Å; L320-F322 HydrophobicContact CB-CD2 3.98Å; L320-F322 HydrophobicContact CB-CE2 3.88Å
323Y36.4Very low53.9Low264 Ų26479 Ų79100%1.03539%0.387SS*.  trans-151.30159.8-78.1-71.2000108.9S321S321-Y323 VanDerWaalsContact C-N 3.32Å; S321-Y323 PolarHBondContact O-N 3.45Å

Retrieved 323 of 323 residues in 55.8 ms (Link to these results)