A0A5K4F6R1_SCHMA Loading...

S4 RNA-binding domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6R1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 394 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.2Very low28.1Very low233 Ų233153.7 Ų153.7100%1.14887%0.869SS**  0143.50-91.3174.612400109.4
2K34.4Very low27.6Very low203 Ų203152.2 Ų152.288%0.88386%0.855SS**  trans80.989.8166-62.9-179.6180-179.30117.9
3S26Very low27.1Very low122 Ų122158.7 Ų158.785%0.85386%0.858SS**  trans-68137.5145.7-490000109.9
4C29Very low26.8Very low134 Ų134156.1 Ų156.191%0.90584%0.842SS**  trans-161.2133.5134.4-128.40000110.9
5W25.1Very low26.4Very low250 Ų250152.1 Ų152.195%0.94783%0.83SS**  trans-62.5152.2179.1-83-13.7000114.4
6G29.5Very low26.2Very low82 Ų82152.4 Ų152.485%0.84583%0.83SS**  trans-159.370.7163.400000110.4
7L26.7Very low26Very low132 Ų132156.2 Ų156.269%0.69183%0.831SS**  trans-73.4152.8164.8-116.2115.1000109.4
8F28.2Very low25.8Very low201 Ų201157.6 Ų157.688%0.88283%0.832SS**  trans86.396.1173.6-62.2-81.4000117.3
9G25.9Very low26.1Very low75 Ų75161.6 Ų161.677%0.77384%0.835SS**  trans-171.332.9168.900000114.5A11G9-A11 PolarHBondContact O-N 3.33Å
10L27.2Very low26.4Very low168 Ų168158 Ų15888%0.8882%0.822SS**  trans-77.473.9168.9-114.9157000108.2L12L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 2.96Å
11A25.6Very low26.4Very low91 Ų91158.3 Ų158.375%0.75283%0.825SS**  trans-73.390.8171.300000108.3G9 R13G9-A11 PolarHBondContact O-N 3.33Å; A11-R13 PolarHBondContact O-N 3.1Å
12L22.4Very low26.2Very low135 Ų135151 Ų15171%0.70781%0.81SS**  trans-69.681.8171-145116.2000108.2L10 I14L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 2.96Å; L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 HydrophobicContact CD2-CD1 3.5Å; L12-I14 HydrophobicContact CD2-CG1 3.53Å; L12-I14 PolarHBondContact O-N 3.02Å
13R20.8Very low25.6Very low237 Ų237148.7 Ų148.789%0.89481%0.806SS**  trans-83.278.8177.6-154.4177.2-167.1-177.23.5108.6A11 S15A11-R13 PolarHBondContact O-N 3.1Å; R13-S15 VanDerWaalsContact C-N 3.31Å; R13-S15 PolarHBondContact O-N 3.29Å
14I23.2Very low25.5Very low122 Ų122151.1 Ų151.163%0.62681%0.808SS**  trans-68.893.6166.7-56.6173.7000106.6L12 L16L12-I14 VanDerWaalsContact C-N 3.3Å; L12-I14 HydrophobicContact CD2-CD1 3.5Å; L12-I14 HydrophobicContact CD2-CG1 3.53Å; L12-I14 PolarHBondContact O-N 3.02Å; I14-L16 HydrophobicContact CG2-CD2 4.43Å; I14-L16 HydrophobicContact CG2-CG 4.03Å; I14-L16 PolarHBondContact O-N 2.95Å
15S20.5Very low25.1Very low96 Ų96152.9 Ų152.967%0.67180%0.801SS**  trans-85.292.3167.9-142.60000107.2R13 Y17R13-S15 VanDerWaalsContact C-N 3.31Å; R13-S15 PolarHBondContact O-N 3.29Å; S15-Y17 PolarHBondContact O-N 2.93Å; S15-Y17 VanDerWaalsContact O-N 3.08Å
16L23.5Very low25Very low157 Ų157146.8 Ų146.882%0.82280%0.796SS**  trans-62.2104.2167-74161.6000107.6I14 E18I14-L16 HydrophobicContact CG2-CD2 4.43Å; I14-L16 HydrophobicContact CG2-CG 4.03Å; I14-L16 PolarHBondContact O-N 2.95Å; L16-E18 PolarHBondContact O-N 2.6Å
17Y23.2Very low24.5Very low218 Ų218150.6 Ų150.686%0.85579%0.79SS**  trans-84.8107.6167.1-127.8-88.8000107.9S15S15-Y17 PolarHBondContact O-N 2.93Å; S15-Y17 VanDerWaalsContact O-N 3.08Å
18E22.8Very low24.3Very low180 Ų180149.8 Ų149.884%0.84180%0.795SS**  trans-73.4128.3172.7-168.1173.8-164.300109.4L16L16-E18 PolarHBondContact O-N 2.6Å
19R30.7Very low24Very low234 Ų234149.4 Ų149.488%0.88379%0.789SS**  trans-145.8151.3158.3-110.6-131.8169.7136.40.1111.6
20P32.4Very low24Very low90 Ų90152.6 Ų152.658%0.58479%0.793SS**  trans-112.8159.1-142.336.3-23.2000113.6
21N25.1Very low23.9Very low165 Ų165151.4 Ų151.488%0.88279%0.788SS**  trans68.4115.3155.1-57.5-19.9000117.9
22G27.5Very low23.8Very low80 Ų80158.7 Ų158.783%0.82580%0.796SS**  trans162.258.3162.500000115.6L24G22-L24 PolarHBondContact O-N 3.19Å
23L21.9Very low24Very low154 Ų154156.5 Ų156.581%0.80680%0.797SS**  trans-58.9123.6173.7-141.3156.8000110.7K25L23-K25 HydrophobicContact CD2-CG 4.48Å
24L24.4Very low24.1Very low172 Ų172149.5 Ų149.590%0.90179%0.785SS**  trans-152.9110147.8-102.4170.7000110.1G22G22-L24 PolarHBondContact O-N 3.19Å
25K20.5Very low24.3Very low172 Ų172150.2 Ų150.275%0.74880%0.795SS**  trans-60.3137.6167.6-74.3168.5170.2173.70109.9L23L23-K25 HydrophobicContact CD2-CG 4.48Å
26S22.3Very low24.5Very low122 Ų122153.2 Ų153.285%0.85380%0.798SS**  trans-139.7118.1147.6-173.50000109.8
27F20.5Very low24.7Very low161 Ų161154.4 Ų154.471%0.70680%0.797SS**  trans-65.2142.3166.9-88.5-116.6000110.2
28S22.5Very low24.7Very low115 Ų115151.2 Ų151.280%0.80479%0.793SS**  -164137.3127.657.20000111.7
29Y21.2Very low24.9Very low194 Ų194151.1 Ų151.176%0.76179%0.791SS**  trans-63136.7178.6-84.6-114.3000111.7
30V26.7Very low24.6Very low141 Ų141145.3 Ų145.386%0.85578%0.783SS**  trans-117.4110.7152.6-1780000107.4R32V30-R32 PolarHBondContact O-N 3.01Å
31N23.3Very low24.1Very low143 Ų143149 Ų14977%0.76579%0.794SS**  trans-52.2119178.6-82-42.4000110.9A33N31-A33 VanDerWaalsContact C-N 3.34Å; N31-A33 PolarHBondContact O-N 3.02Å
32R25.3Very low24.1Very low245 Ų245148.8 Ų148.893%0.92579%0.788SS**  trans-75.191.3166.1-167174.5-165.4157.93.2107.5V30 S34V30-R32 PolarHBondContact O-N 3.01Å; R32-S34 PolarHBondContact O-N 2.88Å; R32-S34 VanDerWaalsContact O-N 3.16Å
33A24.8Very low24Very low89 Ų89152.8 Ų152.874%0.73679%0.79SS**  trans-56.5120.2167.900000108.6N31 T35N31-A33 VanDerWaalsContact C-N 3.34Å; N31-A33 PolarHBondContact O-N 3.02Å; A33-T35 PolarHBondContact O-N 2.97Å
34S24.2Very low24.4Very low90 Ų90153.1 Ų153.163%0.62979%0.791SS**  trans-60.9120.2178.1-179.20000110.6R32R32-S34 PolarHBondContact O-N 2.88Å; R32-S34 VanDerWaalsContact O-N 3.16Å
35T26Very low24.3Very low136 Ų136155.4 Ų155.483%0.83479%0.789SS**  trans-123.563.2150.2620000108.1A33 K37A33-T35 PolarHBondContact O-N 2.97Å; T35-K37 VanDerWaalsContact C-N 3.29Å; T35-K37 PolarHBondContact O-N 3.32Å; T35-K37 VanDerWaalsContact O-N 3.09Å
36Q25.7Very low24.6Very low160 Ų160155.8 Ų155.875%0.74880%0.798SS**  trans-67.594.4155.2-74.7176.6-14.300107.2L38Q36-L38 PolarHBondContact O-N 2.8Å
37K27.9Very low24.8Very low182 Ų182158.2 Ų158.279%0.79180%0.796SS**  trans-72.784.4156.3-82.7-174.1177.2-1800107.1T35 F39T35-K37 VanDerWaalsContact C-N 3.29Å; T35-K37 PolarHBondContact O-N 3.32Å; T35-K37 VanDerWaalsContact O-N 3.09Å; K37-F39 HydrophobicContact CB-CE2 4.34Å; K37-F39 PolarHBondContact O-N 2.82Å
38L24Very low25.2Very low150 Ų150158.1 Ų158.179%0.78580%0.795SS**  trans-71.5103.3167.6-155.282.7000106.8Q36Q36-L38 PolarHBondContact O-N 2.8Å
39F26Very low25.4Very low178 Ų178161.8 Ų161.878%0.78180%0.799SS**  trans-89.5130.2164.1-78.2-76.6000108.6K37K37-F39 HydrophobicContact CB-CE2 4.34Å; K37-F39 PolarHBondContact O-N 2.82Å
40P23.6Very low25.9Very low112 Ų112158.2 Ų158.273%0.72780%0.798SS**  trans-82.7156.7-167.932.2-34.4000114.2
41M21.8Very low26Very low167 Ų167154.3 Ų154.382%0.82379%0.786SS**  trans-15.9133.3152.8-78.5-84.2-148.500116.2
42H26.6Very low26.1Very low162 Ų162155.3 Ų155.375%0.7579%0.786SS**  -174.6143.389.5-132.4-82.1000112.3I44H42-I44 PolarHBondContact O-N 3.34Å
43L24.7Very low26.4Very low164 Ų164154.1 Ų154.186%0.85978%0.781SS**  trans-45.5121.4165.2-124.378.3000111.4
44I29.6Very low26.4Very low161 Ų161158.7 Ų158.783%0.82679%0.787SS**  trans-119126.1164.3-62.1176.8000108.1H42H42-I44 PolarHBondContact O-N 3.34Å
45Y22.7Very low26.9Very low219 Ų219160.5 Ų160.586%0.85979%0.794SS**  trans-52.8142.3-180-126-110.7000112.3Q47Y45-Q47 PolarHBondContact O-N 2.81Å
46L26.9Very low26.7Very low181 Ų181157.1 Ų157.195%0.94879%0.786SS**  trans-51.4100.7174.4-85.3133.8000111.8
47Q27.6Very low27.1Very low172 Ų172158.5 Ų158.580%0.80479%0.793SS**  trans-91.3120.3165.5-154.1166.9-1300108.6Y45 H49Y45-Q47 PolarHBondContact O-N 2.81Å; Q47-H49 PolarHBondContact O-N 2.87Å
48K27.4Very low27.2Very low159 Ų159157 Ų15769%0.69179%0.793SS**  trans-50.7106.5-179.2-163.9177.2-178.2-176.40109.9T50K48-T50 PolarHBondContact O-N 3.34Å
49H27.6Very low27.4Very low192 Ų192154.9 Ų154.989%0.88979%0.791SS**  trans-68.693.4176.6-81.1-80.2000110.8Q47 G51Q47-H49 PolarHBondContact O-N 2.87Å; H49-G51 VanDerWaalsContact C-N 3.33Å; H49-G51 PolarHBondContact O-N 2.84Å; H49-G51 VanDerWaalsContact O-N 3.15Å
50T31.3Very low27.7Very low120 Ų120154.5 Ų154.574%0.73680%0.797SS**  trans-7687.8158.743.60000108.3K48 H52K48-T50 PolarHBondContact O-N 3.34Å; T50-H52 PolarHBondContact O-N 3.46Å
51G29.1Very low27.8Very low58 Ų58154.3 Ų154.360%0.59880%0.798SS**  trans-72.689.7175.300000111.5H49 R53H49-G51 VanDerWaalsContact C-N 3.33Å; H49-G51 PolarHBondContact O-N 2.84Å; H49-G51 VanDerWaalsContact O-N 3.15Å; G51-R53 PolarHBondContact O-N 2.83Å
52H25.9Very low28.4Very low165 Ų165152 Ų15276%0.76480%0.799SS**  trans-71.3106.5165.5-108.6-76.4000109.2T50T50-H52 PolarHBondContact O-N 3.46Å
53R30.1Very low28.5Very low219 Ų219151.1 Ų151.183%0.82680%0.8SS**  trans-92108167-90.7-176.5173.4162.3-2.6108.8G51 V55G51-R53 PolarHBondContact O-N 2.83Å; R53-V55 PolarHBondContact O-N 2.96Å
54H26Very low29.1Very low185 Ų185150.6 Ų150.686%0.85680%0.798SS**  trans-72.8107.8165.2-132.3-78.4000107.8
55V34Very low29.2Very low129 Ų129151.5 Ų151.578%0.78280%0.799SS**  trans-96.2112.7166.4174.70000106.1R53R53-V55 PolarHBondContact O-N 2.96Å
56G22.6Very low29.7Very low65 Ų65148.6 Ų148.667%0.6780%0.797SS**  trans-64.8139.3178.900000112
57Q34.2Very low30Very low189 Ų189144.5 Ų144.588%0.88379%0.789SS**  trans-146.2137.6154.2-112.3177.4-9.300107.6
58D29.6Very low30.3Very low149 Ų149142.6 Ų142.680%0.79778%0.784SS**  trans-71146.2-160.2-56.4-65.6000114
59S29.1Very low30.7Very low107 Ų107142.8 Ų142.875%0.74879%0.793SS**  trans29.598136.6-40.10000118
60D30.4Very low31.2Very low169 Ų169141.1 Ų141.190%0.90479%0.785SS**  -160.8138.4117.3-113.5-20.8000112.2
61S27.4Very low31.4Very low108 Ų108143 Ų14376%0.75579%0.791SS**  trans-64.3131.5-174.5162.80000113.4
62S32.8Very low32.1Very low118 Ų118146.6 Ų146.683%0.82579%0.792SS**  trans-167123.2141.7-73.80000109.4
63D30.6Very low32.7Very low145 Ų145145.5 Ų145.578%0.77579%0.792SS**  trans-42.9133.2166.8-94.1-36.8000112.9
64D35.4Very low33.6Very low152 Ų152140.9 Ų140.981%0.81379%0.79SS**  trans-158.491.8147-90.7-31.8000106.3L66D64-L66 PolarHBondContact O-N 3.05Å
65E31.9Very low34.5Very low181 Ų181138.9 Ų138.985%0.84679%0.786SS**  trans-65.1110.5162.1-68.3-172.8161.200109.2
66L33Very low35.8Very low158 Ų158141.4 Ų141.483%0.82779%0.789SS**  trans-146.797.6156.1-69.6178.5000105.6D64D64-L66 PolarHBondContact O-N 3.05Å
67A33.3Very low38.1Very low94 Ų94145.9 Ų145.978%0.77780%0.797SS**  74.1118.683.200000112.5
68D33.9Very low40.5Very low132 Ų132138.8 Ų138.871%0.70677%0.765SS**  trans68.790.5170.5-85.2-21000119.4E70D68-E70 HydrophobicContact CB-CG 4.08Å; D68-E70 PolarHBondContact O-N 3.44Å
69D36.5Very low43.1Very low164 Ų164136 Ų13688%0.87776%0.756SS**  trans-61.374.9135.2-73.1-45.4000108.3D71D69-D71 PolarHBondContact O-N 3.09Å
70E37.6Very low45.9Very low156 Ų156134.4 Ų134.473%0.72973%0.734SS**  trans-62116.7164.7-93.9175.5-172.100107.8D68 E72D68-E70 HydrophobicContact CB-CG 4.08Å; D68-E70 PolarHBondContact O-N 3.44Å; E70-E72 PolarHBondContact O-N 3.24Å
71D35.8Very low48.5Very low159 Ų159131.3 Ų131.385%0.8571%0.71SS**  trans-44.1104.8170.8-62.5-68.6000110.6D69 D73D69-D71 PolarHBondContact O-N 3.09Å; D71-D73 PolarHBondContact O-N 2.86Å
72E43.5Very low51.3Low134 Ų134130.1 Ų130.163%0.62670%0.702SS**  trans-64.1105.2168.2-79.8173-179.200107.8E70 K168E70-E72 PolarHBondContact O-N 3.24Å; E72-K168 IonicContact OE1-NZ 2.6Å; E72-K168 PolarHBondContact OE1-NZ 2.84Å
73D39.1Very low53.8Low142 Ų142129.3 Ų129.376%0.75969%0.685SS**  trans-38121.1169.5-92.9-46.9000111D71 D75D71-D73 PolarHBondContact O-N 2.86Å; D73-D75 PolarHBondContact O-N 2.9Å
74P50.1Low56.5Low122 Ų122122.4 Ų122.479%0.79265%0.648SS**THydrogen-bonded Turntrans-66.8-4.2-179-21.432.9000115.3
75D44.4Very low58.9Low144 Ų144119.3 Ų119.377%0.7763%0.63SS**THydrogen-bonded Turntrans-116.319.3-164.5-67.2-26.1000114.7D73 L77D73-D75 PolarHBondContact O-N 2.9Å; D75-L77 PolarHBondContact O-N 3.02Å
76E60.6Low61.4Low181 Ų181114.9 Ų114.985%0.84662%0.624SS**  trans-71.990.1160-163.2162.1-156.600108.4D78E76-D78 PolarHBondContact O-N 2.81Å
77L71.9Confident63.7Low159 Ų159109.7 Ų109.783%0.83260%0.595SS**  trans-56.197.3179.3-163.288000109.1D75 P79D75-L77 PolarHBondContact O-N 3.02Å; L77-P79 WeakPolarHBondContact O-CD 3.39Å
78D82.7Confident66.1Low40 Ų40106.9 Ų106.921%0.21457%0.57CS.*  trans-48.3105.6178.7169.112.6000109.9E76 Y80 Y81 R180E76-D78 PolarHBondContact O-N 2.81Å; D78-Y80 PolarHBondContact O-N 2.92Å; D78-Y80 WeakPolarHBondContact OD1-CA 3.29Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.46Å; D78-Y80 PolarHBondContact OD1-N 2.83Å; D78-Y81 WeakPolarHBondContact O-CB 3.18Å; D78-Y81 PolarHBondContact O-N 2.89Å; D78-Y81 VanDerWaalsContact O-N 3.09Å; D78-Y81 PolarHBondContact OD1-N 2.81Å; D78-R180 IonicContact OD2-CZ 3.1Å; D78-R180 IonicContact OD2-NH1 3.93Å; D78-R180 PolarHBondContact OD2-NH1 3.19Å; D78-R180 IonicContact OD2-NH2 2.78Å; D78-R180 PolarHBondContact OD2-NH2 3.08Å
79P85.5Confident68.5Low92 Ų92105 Ų10560%0.59757%0.565SS**THydrogen-bonded Turntrans-67.6-14.6-172.426.8-33.4000111.8L77L77-P79 WeakPolarHBondContact O-CD 3.39Å
80Y86.7Confident70.7Confident73 Ų73103.5 Ų103.529%0.28656%0.557SS.*THydrogen-bonded Turntrans-96.7-5.3-179.1-49.4-68.2000113.4D78 S82 E83 D84D78-Y80 PolarHBondContact O-N 2.92Å; D78-Y80 WeakPolarHBondContact OD1-CA 3.29Å; D78-Y80 WeakPolarHBondContact OD1-CB 3.46Å; D78-Y80 PolarHBondContact OD1-N 2.83Å; Y80-S82 VanDerWaalsContact C-N 3.32Å; Y80-S82 PolarHBondContact O-N 2.81Å; Y80-E83 PolarHBondContact O-N 2.87Å; Y80-D84 VanDerWaalsContact O-CB 3.31Å; Y80-D84 WeakPolarHBondContact O-CB 3.42Å; Y80-D84 PolarHBondContact O-N 2.87Å
81Y86.2Confident73.2Confident103 Ų10398.6 Ų98.640%0.40453%0.533SS..Hα-helixtrans-59.8-40.8-173.4-171.5-106.1000113.1D78 D84 M85 F91D78-Y81 WeakPolarHBondContact O-CB 3.18Å; D78-Y81 PolarHBondContact O-N 2.89Å; D78-Y81 VanDerWaalsContact O-N 3.09Å; D78-Y81 PolarHBondContact OD1-N 2.81Å; Y81-D84 PolarHBondContact O-N 3.14Å; Y81-M85 HydrophobicContact CD1-CE 3.74Å; Y81-M85 HydrophobicContact CD1-CG 4.29Å; Y81-M85 HydrophobicContact CD1-SD 4.23Å; Y81-M85 HydrophobicContact CE1-CE 3.27Å; Y81-M85 HydrophobicContact CE1-CG 3.9Å; Y81-M85 HydrophobicContact CE1-SD 3.39Å; Y81-M85 WeakPolarHBondContact CE1-SD 3.49Å; Y81-M85 HydrophobicContact CE2-CG 4.38Å; Y81-M85 VanDerWaalsContact CZ-SD 3.57Å; Y81-M85 WeakPolarHBondContact O-CG 3.49Å; Y81-M85 PolarHBondContact O-N 2.8Å; Y81-M85 PolarHBondContact OH-SD 2.78Å; Y81-F91 HydrophobicContact CE2-CE1 4.43Å; Y81-F91 AromaticContact CE2-CZ 3.94Å; Y81-F91 HydrophobicContact CE2-CZ 3.94Å
82S85Confident75.8Confident84 Ų8496.9 Ų96.959%0.58752%0.515SS*.Hα-helixtrans-64.6-46.9179.854.30000112.4Y80 D84 A86Y80-S82 VanDerWaalsContact C-N 3.32Å; Y80-S82 PolarHBondContact O-N 2.81Å; S82-D84 VanDerWaalsContact C-N 3.28Å; S82-D84 PolarHBondContact O-N 3.08Å; S82-A86 PolarHBondContact O-N 2.7Å; S82-A86 VanDerWaalsContact O-N 3.12Å
83E86.5Confident78.2Confident100 Ų10094.6 Ų94.647%0.46750%0.504SS..Hα-helixtrans-61.7-38.4175.2-62.4-173.6174.100112.1Y80 A86 F87 K146 R163Y80-E83 PolarHBondContact O-N 2.87Å; E83-A86 PolarHBondContact O-N 2.83Å; E83-F87 PolarHBondContact O-N 2.94Å; E83-K146 IonicContact OE2-NZ 2.74Å; E83-R163 IonicContact OE2-NH2 3.95Å; E83-R163 PolarHBondContact OE2-NH2 3.18Å; E83-R163 VanDerWaalsContact OE2-NH2 3.1Å
84D88Confident80.8Confident0 Ų089 Ų890%047%0.474CS..Hα-helixtrans-72.2-39.4-176.4-79.3-5000112.6Y80 Y81 S82 A86 F87 S88 R163 R180 W182Y80-D84 VanDerWaalsContact O-CB 3.31Å; Y80-D84 WeakPolarHBondContact O-CB 3.42Å; Y80-D84 PolarHBondContact O-N 2.87Å; Y81-D84 PolarHBondContact O-N 3.14Å; S82-D84 VanDerWaalsContact C-N 3.28Å; S82-D84 PolarHBondContact O-N 3.08Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-F87 WeakPolarHBondContact O-CB 3.38Å; D84-F87 PolarHBondContact O-N 2.71Å; D84-S88 PolarHBondContact O-N 2.74Å; D84-S88 VanDerWaalsContact O-N 3.12Å; D84-R163 VanDerWaalsContact CG-NE 3.26Å; D84-R163 IonicContact OD1-CZ 3.18Å; D84-R163 IonicContact OD1-NE 2.71Å; D84-R163 PolarHBondContact OD1-NE 3.27Å; D84-R163 IonicContact OD1-NH2 3.69Å; D84-R163 PolarHBondContact OD1-NH2 2.89Å; D84-R163 WeakPolarHBondContact OD2-CD 3.03Å; D84-R163 IonicContact OD2-NE 3.08Å; D84-R163 PolarHBondContact OD2-NE 3.36Å; D84-R163 VanDerWaalsContact OD2-NE 3.08Å; D84-R180 WeakPolarHBondContact OD2-CD 3.29Å; D84-R180 IonicContact OD2-CZ 3.25Å; D84-R180 IonicContact OD2-NE 2.87Å; D84-R180 IonicContact OD2-NH1 2.78Å; D84-R180 PolarHBondContact OD2-NH1 3.1Å; D84-W182 HydrophobicContact CB-CH2 3.86Å; D84-W182 HydrophobicContact CB-CZ2 3.7Å; D84-W182 VanDerWaalsContact CG-CH2 3.45Å; D84-W182 WeakPolarHBondContact OD2-CH2 3.48Å
85M85.2Confident82.9Confident87 Ų8786.5 Ų86.543%0.42946%0.459SS..Hα-helixtrans-65.6-37.4171-74-152.8-62.600112.1Y81 F87Y81-M85 HydrophobicContact CD1-CE 3.74Å; Y81-M85 HydrophobicContact CD1-CG 4.29Å; Y81-M85 HydrophobicContact CD1-SD 4.23Å; Y81-M85 HydrophobicContact CE1-CE 3.27Å; Y81-M85 HydrophobicContact CE1-CG 3.9Å; Y81-M85 HydrophobicContact CE1-SD 3.39Å; Y81-M85 WeakPolarHBondContact CE1-SD 3.49Å; Y81-M85 HydrophobicContact CE2-CG 4.38Å; Y81-M85 VanDerWaalsContact CZ-SD 3.57Å; Y81-M85 WeakPolarHBondContact O-CG 3.49Å; Y81-M85 PolarHBondContact O-N 2.8Å; Y81-M85 PolarHBondContact OH-SD 2.78Å; M85-F87 VanDerWaalsContact C-N 3.26Å; M85-F87 PolarHBondContact O-N 2.75Å
86A83.6Confident85.3Confident89 Ų8980.7 Ų80.774%0.73643%0.43SS*.Hα-helixtrans-64.6-31.2175.700000112.3S82 E83 D84S82-A86 PolarHBondContact O-N 2.7Å; S82-A86 VanDerWaalsContact O-N 3.12Å; E83-A86 PolarHBondContact O-N 2.83Å; D84-A86 VanDerWaalsContact C-N 3.33Å
87F82.7Confident87Confident48 Ų4878.3 Ų78.321%0.21141%0.414CS..Hα-helixtrans-70-56.5173.7175.5-105.2000112.2E83 D84 M85 P157 R161 W182E83-F87 PolarHBondContact O-N 2.94Å; D84-F87 WeakPolarHBondContact O-CB 3.38Å; D84-F87 PolarHBondContact O-N 2.71Å; M85-F87 VanDerWaalsContact C-N 3.26Å; M85-F87 PolarHBondContact O-N 2.75Å; F87-P157 HydrophobicContact CE2-CB 4.04Å; F87-P157 HydrophobicContact CE2-CG 4.33Å; F87-P157 WeakPolarHBondContact CE2-O 3.15Å; F87-R161 HydrophobicContact CD1-CB 4.49Å; F87-R161 HydrophobicContact CE1-CB 3.69Å; F87-R161 HydrophobicContact CE1-CG 4.4Å; F87-R161 HydrophobicContact CZ-CB 3.83Å; F87-W182 AromaticContact CD1-CD1 3.8Å; F87-W182 AromaticContact CD1-CD2 3.85Å; F87-W182 HydrophobicContact CD1-CD2 3.85Å; F87-W182 AromaticContact CD1-CE2 3.65Å; F87-W182 AromaticContact CD1-CG 3.9Å; F87-W182 HydrophobicContact CD1-CG 3.9Å; F87-W182 HydrophobicContact CD1-CZ2 4.22Å; F87-W182 AromaticContact CD1-NE1 3.58Å; F87-W182 HydrophobicContact CE1-CB 3.92Å; F87-W182 AromaticContact CE1-CD1 3.79Å; F87-W182 AromaticContact CE1-CD2 3.84Å; F87-W182 HydrophobicContact CE1-CD2 3.84Å; F87-W182 AromaticContact CE1-CG 3.58Å; F87-W182 HydrophobicContact CE1-CG 3.58Å
88S83.1Confident88.1Confident36 Ų3671.1 Ų71.125%0.25238%0.377SS..  trans-169.7135.3171-178.60000110.1D84 N90 W182D84-S88 PolarHBondContact O-N 2.74Å; D84-S88 VanDerWaalsContact O-N 3.12Å; S88-N90 PolarHBondContact O-N 2.97Å; S88-N90 PolarHBondContact OG-N 3.36Å; S88-W182 PolarHBondContact O-NE1 3.47Å
89P82.9Confident88.6Confident92 Ų9276.9 Ų76.960%0.59740%0.4SS*.SBendtrans-68.5-17.2176.328.5-35.3000113F91P89-F91 VanDerWaalsContact C-N 3.33Å; P89-F91 PolarHBondContact O-N 3.03Å
90N84.7Confident89Confident133 Ų13373.7 Ų73.771%0.71138%0.38SS*.  trans-88.464.8-173.8-68-20.9000112S88S88-N90 PolarHBondContact O-N 2.97Å; S88-N90 PolarHBondContact OG-N 3.36Å
91F88.9Confident89.4Confident52 Ų5271.9 Ų71.923%0.22838%0.375CS..  trans-102.8156.6171.960.4-96.2000112.7Y81 P89 R180 W182Y81-F91 HydrophobicContact CE2-CE1 4.43Å; Y81-F91 AromaticContact CE2-CZ 3.94Å; Y81-F91 HydrophobicContact CE2-CZ 3.94Å; P89-F91 VanDerWaalsContact C-N 3.33Å; P89-F91 PolarHBondContact O-N 3.03Å; F91-R180 HydrophobicContact CB-CG 3.63Å; F91-R180 HydrophobicContact CD1-CG 4.39Å; F91-R180 HydrophobicContact CD2-CG 3.49Å; F91-R180 VanDerWaalsContact CD2-CG 3.49Å; F91-R180 HydrophobicContact CE2-CG 4.23Å; F91-R180 HydrophobicContact CG-CG 3.59Å; F91-W182 HydrophobicContact CB-CD2 3.97Å; F91-W182 HydrophobicContact CB-CG 4.21Å; F91-W182 HydrophobicContact CB-CZ2 3.97Å; F91-W182 HydrophobicContact CD1-CZ2 4.23Å; F91-W182 HydrophobicContact CG-CZ2 4.35Å
92R91.1Very high89.9Confident124 Ų12472.1 Ų72.147%0.46838%0.375SS..EExtended strand (participates in β ladder)trans-115.5128167.8-179.3179.8173169.9-1.2109.1I94 C181R92-I94 HydrophobicContact CG-CG2 3.9Å; R92-C181 PolarHBondContact N-O 3.32Å; R92-C181 PolarHBondContact O-N 3.35Å
93Q93Very high90.4Very high86 Ų8668.1 Ų68.140%0.40235%0.347SS..EExtended strand (participates in β ladder)trans-87.4132.4169.9-164.4168.6-0.200109.3L165 L179Q93-L165 HydrophobicContact CG-CD1 4.07Å; Q93-L165 VanDerWaalsContact NE2-CD1 3.32Å; Q93-L179 CarbonylContact C-O 3.56Å; Q93-L179 VanDerWaalsContact CA-O 3.32Å; Q93-L179 WeakPolarHBondContact CA-O 3.32Å
94I94.2Very high90.8Very high25 Ų2564 Ų6413%0.12833%0.328CS..EExtended strand (participates in β ladder)trans-132142.2177.367174000109.7R92 L179R92-I94 HydrophobicContact CG-CG2 3.9Å; I94-L179 HydrophobicContact CD1-CD1 4.38Å; I94-L179 HydrophobicContact CG1-CB 3.89Å; I94-L179 HydrophobicContact CG1-CD1 4.49Å; I94-L179 PolarHBondContact N-O 2.9Å; I94-L179 PolarHBondContact O-N 3.27Å
95S94.5Very high91.2Very high68 Ų6866.9 Ų66.948%0.47634%0.341SS..EExtended strand (participates in β ladder)trans-107.6138.1165.6590000108.9I177S95-I177 CarbonylContact C-O 3.46Å; S95-I177 VanDerWaalsContact CA-O 3.26Å; S95-I177 WeakPolarHBondContact CA-O 3.35Å
96S95.1Very high91.7Very high22 Ų2262.9 Ų62.915%0.15432%0.321CS..EExtended strand (participates in β ladder)trans-152.2164.9-177.9630000111.6V109 K176 I177S96-V109 WeakPolarHBondContact OG-CG1 3.26Å; S96-K176 WeakPolarHBondContact O-CA 3.31Å; S96-I177 PolarHBondContact N-O 3.15Å; S96-I177 WeakPolarHBondContact O-CG1 3.27Å; S96-I177 PolarHBondContact O-N 3.38Å; S96-I177 WeakPolarHBondContact OG-CD1 3.36Å; S96-I177 VanDerWaalsContact OG-CG1 3.22Å; S96-I177 WeakPolarHBondContact OG-CG1 3.48Å
97Y95Very high92.2Very high131 Ų13158.7 Ų58.751%0.51429%0.286SS..EExtended strand (participates in β ladder)trans-107.3130.5177.2-61.5-83.1000110.7L170 K174 Y175 K176Y97-L170 HydrophobicContact CE1-CD2 4.35Å; Y97-K174 HydrophobicContact CD1-CG 4.32Å; Y97-Y175 CarbonylContact C-O 3.56Å; Y97-Y175 VanDerWaalsContact CA-O 3.25Å; Y97-Y175 WeakPolarHBondContact CA-O 3.38Å; Y97-K176 HydrophobicContact CD1-CB 3.99Å; Y97-K176 HydrophobicContact CD1-CG 4.37Å; Y97-K176 HydrophobicContact CE1-CB 3.72Å; Y97-K176 HydrophobicContact CE1-CD 4.22Å; Y97-K176 HydrophobicContact CE1-CG 3.83Å
98V94.8Very high92.8Very high8 Ų858.6 Ų58.65%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-126.7148.4177.4-64.40000111.4L101 I106 V109 Y175 I177V98-L101 HydrophobicContact CG2-CD2 4.15Å; V98-I106 HydrophobicContact CG1-CD1 4.32Å; V98-I106 HydrophobicContact CG2-CD1 3.93Å; V98-V109 HydrophobicContact CG1-CG2 4.06Å; V98-Y175 PolarHBondContact N-O 3.12Å; V98-Y175 PolarHBondContact O-N 2.82Å; V98-I177 HydrophobicContact CB-CD1 4.35Å; V98-I177 HydrophobicContact CG1-CD1 3.51Å; V98-I177 HydrophobicContact CG1-CG1 4.3Å; V98-I177 HydrophobicContact CG2-CD1 3.9Å; V98-I177 HydrophobicContact CG2-CG1 4.33Å; V98-I177 HydrophobicContact CG2-CG2 3.82Å
99K94Very high93.3Very high162 Ų16259.4 Ų59.470%0.70429%0.288SS*.SBendtrans-80-17177.9-62.5-174.7-179-174.90114N173K99-N173 VanDerWaalsContact CA-O 3.29Å; K99-N173 WeakPolarHBondContact CA-O 3.04Å
100S94.5Very high93.8Very high25 Ų2555 Ų5518%0.17526%0.259CS..SBendtrans-162.2147.3179.763.40000110R102 K105S100-R102 PolarHBondContact O-N 2.87Å; S100-K105 WeakPolarHBondContact OG-CD 3.49Å; S100-K105 WeakPolarHBondContact OG-CE 3.35Å; S100-K105 PolarHBondContact OG-NZ 2.86Å
101L95.2Very high94.1Very high34 Ų3448.7 Ų48.718%0.17823%0.225CC..  trans-81.733.2-178.6-54.6176.2000113.5V98 I106 T140 V141 I167 Y175 I177V98-L101 HydrophobicContact CG2-CD2 4.15Å; L101-I106 HydrophobicContact CD2-CD1 4.49Å; L101-T140 CarbonylContact O-C 3.55Å; L101-T140 WeakPolarHBondContact O-CA 3.1Å; L101-V141 PolarHBondContact O-N 3.41Å; L101-I167 HydrophobicContact CD1-CD1 4.19Å; L101-I167 HydrophobicContact CD1-CG2 3.87Å; L101-I167 HydrophobicContact CD2-CD1 4.23Å; L101-I167 HydrophobicContact CD2-CG2 3.65Å; L101-I167 HydrophobicContact CG-CG2 4.4Å; L101-Y175 HydrophobicContact CD1-CD1 4.06Å; L101-Y175 HydrophobicContact CD1-CE1 4.02Å; L101-Y175 HydrophobicContact CD2-CD1 4.02Å; L101-Y175 HydrophobicContact CD2-CD2 4.23Å; L101-Y175 HydrophobicContact CD2-CG 3.78Å; L101-Y175 HydrophobicContact CG-CD1 4.1Å; L101-Y175 HydrophobicContact CG-CD2 4.29Å; L101-Y175 HydrophobicContact CG-CE1 4.25Å; L101-Y175 HydrophobicContact CG-CE2 4.44Å; L101-Y175 HydrophobicContact CG-CG 4.12Å; L101-I177 HydrophobicContact CD2-CG2 3.98Å
102R95.6Very high94.1Very high108 Ų10851.6 Ų51.641%0.40824%0.243SC..BIsolated β-bridgetrans-79.7141.2-179.1-68.8173.647.3154.32.7110.5S100 D104 K105 I106 T139S100-R102 PolarHBondContact O-N 2.87Å; R102-D104 WeakPolarHBondContact CB-OD1 3.2Å; R102-D104 IonicContact CZ-OD1 3.76Å; R102-D104 VanDerWaalsContact CZ-OD1 3.26Å; R102-D104 IonicContact NE-OD1 3.29Å; R102-D104 PolarHBondContact NE-OD1 2.75Å; R102-D104 IonicContact NH2-OD1 2.79Å; R102-D104 PolarHBondContact NH2-OD1 3.24Å; R102-D104 PolarHBondContact O-N 2.99Å; R102-D104 VanDerWaalsContact O-N 3.15Å; R102-K105 HydrophobicContact CB-CG 4.43Å; R102-K105 WeakPolarHBondContact O-CA 3.45Å; R102-K105 PolarHBondContact O-N 3Å; R102-I106 WeakPolarHBondContact O-CG1 3.43Å; R102-I106 PolarHBondContact O-N 3.15Å; R102-T139 CarbonylContact C-O 3.58Å; R102-T139 WeakPolarHBondContact CA-O 3.16Å
103F96.6Very high94Very high0 Ų046.8 Ų46.80%023%0.226CC..Hα-helixtrans-45.8-49.3176.8-178.1-79.6000111.5K105 I106 I107 C127 L129 L134 M137 T139 V141 L147F103-K105 VanDerWaalsContact C-N 3.27Å; F103-K105 PolarHBondContact O-N 3.35Å; F103-I106 PolarHBondContact O-N 2.88Å; F103-I107 HydrophobicContact CD1-CB 4.39Å; F103-I107 HydrophobicContact CD1-CG2 4.11Å; F103-I107 HydrophobicContact CE1-CB 4.07Å; F103-I107 HydrophobicContact CE1-CG1 4.3Å; F103-I107 HydrophobicContact CE1-CG2 3.97Å; F103-I107 HydrophobicContact CZ-CB 4.5Å; F103-I107 HydrophobicContact CZ-CG1 4.49Å; F103-I107 WeakPolarHBondContact O-CB 3.25Å; F103-I107 WeakPolarHBondContact O-CG2 3.42Å; F103-I107 PolarHBondContact O-N 2.78Å; F103-C127 HydrophobicContact CE1-CB 4Å; F103-C127 HydrophobicContact CZ-CB 4.04Å; F103-L129 HydrophobicContact CD2-CD1 4.19Å; F103-L129 HydrophobicContact CE2-CB 4.27Å; F103-L129 HydrophobicContact CE2-CD1 4.33Å; F103-L134 HydrophobicContact CB-CD2 4.33Å; F103-L134 HydrophobicContact CD1-CD2 3.35Å; F103-L134 HydrophobicContact CD2-CD1 4.31Å; F103-L134 HydrophobicContact CD2-CD2 3.96Å; F103-L134 HydrophobicContact CE1-CD2 3.52Å; F103-L134 HydrophobicContact CE2-CD2 4.07Å; F103-L134 HydrophobicContact CG-CD1 4.48Å; F103-L134 HydrophobicContact CG-CD2 3.61Å; F103-L134 HydrophobicContact CZ-CD2 3.88Å; F103-M137 HydrophobicContact CD1-CE 4.36Å; F103-M137 HydrophobicContact CD1-SD 3.77Å; F103-M137 HydrophobicContact CE1-SD 4.16Å; F103-T139 PolarHBondContact N-O 2.84Å; F103-V141 VanDerWaalsContact CA-CG2 3.48Å; F103-V141 HydrophobicContact CB-CG2 3.93Å; F103-V141 HydrophobicContact CD2-CG2 4.41Å; F103-L147 HydrophobicContact CD2-CB 4.25Å; F103-L147 HydrophobicContact CD2-CD2 3.59Å; F103-L147 HydrophobicContact CD2-CG 3.62Å; F103-L147 HydrophobicContact CE2-CB 3.57Å; F103-L147 HydrophobicContact CE2-CD2 3.76Å; F103-L147 HydrophobicContact CE2-CG 3.45Å; F103-L147 VanDerWaalsContact CE2-CG 3.45Å; F103-L147 HydrophobicContact CG-CD2 4.16Å; F103-L147 HydrophobicContact CZ-CB 4.05Å; F103-L147 HydrophobicContact CZ-CD2 4.42Å; F103-L147 HydrophobicContact CZ-CG 4.33Å
104D95.1Very high93.9Very high13 Ų1346.7 Ų46.77%0.0723%0.232CC..Hα-helixtrans-59.3-33.3179.877-84.9000114.1R102 R108 M137R102-D104 WeakPolarHBondContact CB-OD1 3.2Å; R102-D104 IonicContact CZ-OD1 3.76Å; R102-D104 VanDerWaalsContact CZ-OD1 3.26Å; R102-D104 IonicContact NE-OD1 3.29Å; R102-D104 PolarHBondContact NE-OD1 2.75Å; R102-D104 IonicContact NH2-OD1 2.79Å; R102-D104 PolarHBondContact NH2-OD1 3.24Å; R102-D104 PolarHBondContact O-N 2.99Å; R102-D104 VanDerWaalsContact O-N 3.15Å; D104-R108 WeakPolarHBondContact O-CG 3.22Å; D104-R108 PolarHBondContact O-NE 2.9Å; D104-R108 VanDerWaalsContact O-NE 3.13Å; D104-R108 PolarHBondContact O-NH1 3.38Å; D104-R108 PolarHBondContact O-NH2 3.26Å; D104-R108 IonicContact OD2-CZ 2.99Å; D104-R108 VanDerWaalsContact OD2-CZ 3.25Å; D104-R108 IonicContact OD2-NH1 3.26Å; D104-R108 PolarHBondContact OD2-NH1 3.24Å; D104-R108 IonicContact OD2-NH2 2.75Å; D104-R108 PolarHBondContact OD2-NH2 3.24Å; D104-M137 HydrophobicContact CB-CE 3.82Å; D104-M137 HydrophobicContact CB-CG 3.76Å; D104-M137 HydrophobicContact CB-SD 4.06Å; D104-M137 PolarHBondContact N-O 3.05Å
105K95.6Very high93.8Very high62 Ų6254 Ų5427%0.2726%0.258SS..Hα-helixtrans-77.2-48.4175.6-63.2-148.8-176.1153.70111.1S100 R102 F103 R108 V109S100-K105 WeakPolarHBondContact OG-CD 3.49Å; S100-K105 WeakPolarHBondContact OG-CE 3.35Å; S100-K105 PolarHBondContact OG-NZ 2.86Å; R102-K105 HydrophobicContact CB-CG 4.43Å; R102-K105 WeakPolarHBondContact O-CA 3.45Å; R102-K105 PolarHBondContact O-N 3Å; F103-K105 VanDerWaalsContact C-N 3.27Å; F103-K105 PolarHBondContact O-N 3.35Å; K105-R108 PolarHBondContact O-N 3.16Å; K105-V109 WeakPolarHBondContact O-CG2 3.45Å; K105-V109 PolarHBondContact O-N 3.24Å; K105-V109 VanDerWaalsContact O-N 3.16Å
106I96.1Very high93.6Very high3 Ų354.1 Ų54.12%0.01526%0.259CS..Hα-helixtrans-62.8-47.1-175.5-56.8-59.6000110.6V98 L101 R102 F103 R108 V109 G110 V141 L147 V164 I177 L179V98-I106 HydrophobicContact CG1-CD1 4.32Å; V98-I106 HydrophobicContact CG2-CD1 3.93Å; L101-I106 HydrophobicContact CD2-CD1 4.49Å; R102-I106 WeakPolarHBondContact O-CG1 3.43Å; R102-I106 PolarHBondContact O-N 3.15Å; F103-I106 PolarHBondContact O-N 2.88Å; I106-R108 VanDerWaalsContact C-N 3.31Å; I106-R108 PolarHBondContact O-N 2.85Å; I106-V109 PolarHBondContact O-N 3.35Å; I106-G110 PolarHBondContact O-N 3.36Å; I106-V141 HydrophobicContact CG1-CB 4.32Å; I106-V141 HydrophobicContact CG1-CG2 4.29Å; I106-L147 HydrophobicContact CB-CD2 3.99Å; I106-L147 HydrophobicContact CG2-CD2 3.85Å; I106-V164 HydrophobicContact CG2-CG2 4.14Å; I106-I177 HydrophobicContact CD1-CD1 3.43Å; I106-I177 VanDerWaalsContact CD1-CD1 3.43Å; I106-I177 HydrophobicContact CD1-CG2 4.39Å; I106-L179 HydrophobicContact CG2-CD1 4.1Å; I106-L179 HydrophobicContact CG2-CD2 3.85Å
107I94.7Very high93.4Very high0 Ų055 Ų550%027%0.267CS..Hα-helixtrans-63.2-37.4-179-164.667.2000112.2F103 L111 L147 I149 V162F103-I107 HydrophobicContact CD1-CB 4.39Å; F103-I107 HydrophobicContact CD1-CG2 4.11Å; F103-I107 HydrophobicContact CE1-CB 4.07Å; F103-I107 HydrophobicContact CE1-CG1 4.3Å; F103-I107 HydrophobicContact CE1-CG2 3.97Å; F103-I107 HydrophobicContact CZ-CB 4.5Å; F103-I107 HydrophobicContact CZ-CG1 4.49Å; F103-I107 WeakPolarHBondContact O-CB 3.25Å; F103-I107 WeakPolarHBondContact O-CG2 3.42Å; F103-I107 PolarHBondContact O-N 2.78Å; I107-L111 HydrophobicContact CD1-CD1 3.56Å; I107-L111 HydrophobicContact CD1-CG 3.98Å; I107-L111 HydrophobicContact CG1-CD1 3.9Å; I107-L111 HydrophobicContact CG1-CG 4.39Å; I107-L111 WeakPolarHBondContact O-CB 3.49Å; I107-L111 PolarHBondContact O-N 2.93Å; I107-L147 HydrophobicContact CB-CD2 4.33Å; I107-L147 HydrophobicContact CD1-CB 3.81Å; I107-I149 HydrophobicContact CD1-CD1 4.41Å; I107-I149 HydrophobicContact CD1-CG1 4.2Å; I107-I149 HydrophobicContact CG1-CD1 3.88Å; I107-I149 HydrophobicContact CG1-CG1 4.09Å; I107-V162 HydrophobicContact CD1-CB 4.33Å; I107-V162 HydrophobicContact CD1-CG2 3.9Å
108R94.4Very high93.2Very high47 Ų4748.7 Ų48.718%0.17724%0.243CC..Hα-helixtrans-64.4-44.5177.6-76.8-172-52.6-107.3-3.8111.8D104 K105 I106 D112 I113 A118D104-R108 WeakPolarHBondContact O-CG 3.22Å; D104-R108 PolarHBondContact O-NE 2.9Å; D104-R108 VanDerWaalsContact O-NE 3.13Å; D104-R108 PolarHBondContact O-NH1 3.38Å; D104-R108 PolarHBondContact O-NH2 3.26Å; D104-R108 IonicContact OD2-CZ 2.99Å; D104-R108 VanDerWaalsContact OD2-CZ 3.25Å; D104-R108 IonicContact OD2-NH1 3.26Å; D104-R108 PolarHBondContact OD2-NH1 3.24Å; D104-R108 IonicContact OD2-NH2 2.75Å; D104-R108 PolarHBondContact OD2-NH2 3.24Å; K105-R108 PolarHBondContact O-N 3.16Å; I106-R108 VanDerWaalsContact C-N 3.31Å; I106-R108 PolarHBondContact O-N 2.85Å; R108-D112 WeakPolarHBondContact O-CA 3.36Å; R108-D112 PolarHBondContact O-N 3.03Å; R108-I113 HydrophobicContact CB-CG1 4.49Å; R108-I113 HydrophobicContact CG-CG1 4.17Å; R108-I113 PolarHBondContact O-N 3.26Å; R108-A118 HydrophobicContact CG-CB 3.69Å
109V93.5Very high93.2Very high52 Ų5250.3 Ų50.332%0.31525%0.251SS..Hα-helixtrans-71.2-43179.7177.70000110.9S96 V98 K105 I106 R183S96-V109 WeakPolarHBondContact OG-CG1 3.26Å; V98-V109 HydrophobicContact CG1-CG2 4.06Å; K105-V109 WeakPolarHBondContact O-CG2 3.45Å; K105-V109 PolarHBondContact O-N 3.24Å; K105-V109 VanDerWaalsContact O-N 3.16Å; I106-V109 PolarHBondContact O-N 3.35Å; V109-R183 PolarHBondContact O-NH2 2.93Å
110G93.3Very high93.1Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-61.6-46.7178.400000113.2I106 C181 R183I106-G110 PolarHBondContact O-N 3.36Å; G110-C181 WeakPolarHBondContact CA-SG 3.48Å; G110-C181 WeakPolarHBondContact O-CB 3.17Å; G110-C181 PolarHBondContact O-SG 3.36Å; G110-R183 VanDerWaalsContact O-CZ 3.29Å; G110-R183 PolarHBondContact O-NE 3.47Å; G110-R183 PolarHBondContact O-NH2 3.34Å
111L91Very high92.9Very high1 Ų146.2 Ų46.21%0.00524%0.235CC..Hα-helixtrans-94.8-6.1-176.8-60.8-176.4000114.8I107 I113 I149 K160 V162 R183 Y188I107-L111 HydrophobicContact CD1-CD1 3.56Å; I107-L111 HydrophobicContact CD1-CG 3.98Å; I107-L111 HydrophobicContact CG1-CD1 3.9Å; I107-L111 HydrophobicContact CG1-CG 4.39Å; I107-L111 WeakPolarHBondContact O-CB 3.49Å; I107-L111 PolarHBondContact O-N 2.93Å; L111-I113 HydrophobicContact CB-CD1 4.39Å; L111-I113 HydrophobicContact CB-CG1 4.21Å; L111-I113 HydrophobicContact CB-CG2 3.98Å; L111-I113 HydrophobicContact CD1-CD1 4.49Å; L111-I149 HydrophobicContact CD1-CB 4.44Å; L111-I149 HydrophobicContact CD1-CD1 3.59Å; L111-I149 HydrophobicContact CD1-CG1 3.95Å; L111-K160 HydrophobicContact CD1-CB 3.49Å; L111-K160 VanDerWaalsContact CD1-CB 3.49Å; L111-K160 HydrophobicContact CD1-CD 3.9Å; L111-K160 HydrophobicContact CD1-CG 4.35Å; L111-K160 HydrophobicContact CD2-CB 3.76Å; L111-K160 HydrophobicContact CG-CB 4.26Å; L111-V162 HydrophobicContact CD1-CG2 4.46Å; L111-V162 HydrophobicContact CD2-CG2 3.51Å; L111-V162 HydrophobicContact CG-CG2 3.6Å; L111-R183 HydrophobicContact CD2-CG 4.44Å; L111-Y188 PolarHBondContact O-OH 2.78Å
112D89.6Confident92.8Very high112 Ų11246.5 Ų46.560%0.59924%0.235SC*.THydrogen-bonded Turntrans51.956.3-174.6-164.723.8000111.4R108 R183R108-D112 WeakPolarHBondContact O-CA 3.36Å; R108-D112 PolarHBondContact O-N 3.03Å; D112-R183 VanDerWaalsContact CB-CZ 3.46Å; D112-R183 IonicContact OD2-NH1 2.93Å
113I89.2Confident92.7Very high23 Ų2348.7 Ų48.712%0.11825%0.248CC..  trans-116.1148.1179.858.5173.1000110.6R108 L111 A117 A118 I149 Y188R108-I113 HydrophobicContact CB-CG1 4.49Å; R108-I113 HydrophobicContact CG-CG1 4.17Å; R108-I113 PolarHBondContact O-N 3.26Å; L111-I113 HydrophobicContact CB-CD1 4.39Å; L111-I113 HydrophobicContact CB-CG1 4.21Å; L111-I113 HydrophobicContact CB-CG2 3.98Å; L111-I113 HydrophobicContact CD1-CD1 4.49Å; I113-A117 HydrophobicContact CB-CB 4.29Å; I113-A118 HydrophobicContact CD1-CB 3.85Å; I113-A118 HydrophobicContact CG1-CB 4.38Å; I113-I149 HydrophobicContact CD1-CD1 3.52Å; I113-Y188 WeakPolarHBondContact CG2-OH 3.46Å
114T90.8Very high92.4Very high84 Ų8451.2 Ų51.252%0.51527%0.266SS..  trans-66159.3177.267.20000111.1S116 A117 A118T114-S116 VanDerWaalsContact C-N 3.31Å; T114-S116 PolarHBondContact O-N 2.82Å; T114-S116 PolarHBondContact OG1-OG 3.15Å; T114-A117 PolarHBondContact O-N 3.28Å; T114-A117 VanDerWaalsContact OG1-CB 3.31Å; T114-A117 WeakPolarHBondContact OG1-CB 3.42Å; T114-A117 PolarHBondContact OG1-N 2.95Å; T114-A117 VanDerWaalsContact OG1-N 3.1Å; T114-A118 PolarHBondContact O-N 2.99Å
115R91.9Very high92.2Very high178 Ų17855.4 Ų55.467%0.67229%0.288SS*.Hα-helixtrans-55.4-46.9172.9-178.7174.1-179.9178.10.9112.2A117 A118 D119R115-A117 VanDerWaalsContact C-N 3.32Å; R115-A117 PolarHBondContact O-N 2.84Å; R115-A118 PolarHBondContact O-N 3.26Å; R115-D119 WeakPolarHBondContact CG-OD2 3.35Å; R115-D119 IonicContact NE-OD2 3.17Å; R115-D119 WeakPolarHBondContact O-CB 3.49Å; R115-D119 PolarHBondContact O-N 3.03Å
116S91Very high91.9Very high71 Ų7156.2 Ų56.250%0.49729%0.289SS..Hα-helixtrans-59.9-40.217752.40000112.8T114 N120T114-S116 VanDerWaalsContact C-N 3.31Å; T114-S116 PolarHBondContact O-N 2.82Å; T114-S116 PolarHBondContact OG1-OG 3.15Å; S116-N120 VanDerWaalsContact O-CB 3.25Å; S116-N120 WeakPolarHBondContact O-CB 3.41Å; S116-N120 PolarHBondContact O-N 2.78Å; S116-N120 PolarHBondContact O-ND2 2.78Å
117A89.3Confident91.7Very high40 Ų4056.2 Ų56.233%0.33129%0.29SS..Hα-helixtrans-67.2-41177.700000112.1I113 T114 R115 A121I113-A117 HydrophobicContact CB-CB 4.29Å; T114-A117 PolarHBondContact O-N 3.28Å; T114-A117 VanDerWaalsContact OG1-CB 3.31Å; T114-A117 WeakPolarHBondContact OG1-CB 3.42Å; T114-A117 PolarHBondContact OG1-N 2.95Å; T114-A117 VanDerWaalsContact OG1-N 3.1Å; R115-A117 VanDerWaalsContact C-N 3.32Å; R115-A117 PolarHBondContact O-N 2.84Å; A117-A121 WeakPolarHBondContact O-CB 3.21Å; A117-A121 PolarHBondContact O-N 2.8Å
118A91.7Very high91.6Very high0 Ų058.2 Ų58.20%030%0.297CS..Hα-helixtrans-65.9-44.3175.600000112R108 I113 T114 R115 A121 F122 M137R108-A118 HydrophobicContact CG-CB 3.69Å; I113-A118 HydrophobicContact CD1-CB 3.85Å; I113-A118 HydrophobicContact CG1-CB 4.38Å; T114-A118 PolarHBondContact O-N 2.99Å; R115-A118 PolarHBondContact O-N 3.26Å; A118-A121 PolarHBondContact O-N 3.36Å; A118-F122 PolarHBondContact O-N 3.12Å; A118-M137 HydrophobicContact CB-CE 3.96Å; A118-M137 WeakPolarHBondContact O-CE 3.38Å
119D93.9Very high91.6Very high41 Ų4157.4 Ų57.422%0.21930%0.296CS..Hα-helixtrans-64.5-43.7178.2-67.3-17.3000110.5R115 A121 F122 F123R115-D119 WeakPolarHBondContact CG-OD2 3.35Å; R115-D119 IonicContact NE-OD2 3.17Å; R115-D119 WeakPolarHBondContact O-CB 3.49Å; R115-D119 PolarHBondContact O-N 3.03Å; D119-A121 VanDerWaalsContact C-N 3.35Å; D119-A121 PolarHBondContact O-N 3.12Å; D119-F122 WeakPolarHBondContact O-CB 3.39Å; D119-F122 PolarHBondContact O-N 3.32Å; D119-F122 VanDerWaalsContact O-N 3.15Å; D119-F123 HydrophobicContact CB-CD2 4.36Å; D119-F123 HydrophobicContact CB-CE2 4.14Å; D119-F123 WeakPolarHBondContact O-CD2 3.39Å; D119-F123 PolarHBondContact O-N 3.13Å
120N91.8Very high91.6Very high98 Ų9858.6 Ų58.652%0.52430%0.301SS..Hα-helixtrans-61.2-41.9174.2-72.4-16.8000112S116 F122 F123 S124S116-N120 VanDerWaalsContact O-CB 3.25Å; S116-N120 WeakPolarHBondContact O-CB 3.41Å; S116-N120 PolarHBondContact O-N 2.78Å; S116-N120 PolarHBondContact O-ND2 2.78Å; N120-F122 VanDerWaalsContact C-N 3.28Å; N120-F122 PolarHBondContact O-N 3.4Å; N120-F123 PolarHBondContact O-N 3.22Å; N120-S124 VanDerWaalsContact O-CB 3.27Å; N120-S124 WeakPolarHBondContact O-CB 3.39Å; N120-S124 PolarHBondContact O-N 3.42Å; N120-S124 PolarHBondContact O-OG 3.07Å
121A90.7Very high91.4Very high4 Ų461.1 Ų61.13%0.03333%0.327CS..Hα-helixtrans-61.9-37.4175.100000112A117 A118 D119 S124 R126 I149A117-A121 WeakPolarHBondContact O-CB 3.21Å; A117-A121 PolarHBondContact O-N 2.8Å; A118-A121 PolarHBondContact O-N 3.36Å; D119-A121 VanDerWaalsContact C-N 3.35Å; D119-A121 PolarHBondContact O-N 3.12Å; A121-S124 WeakPolarHBondContact CA-OG 3.45Å; A121-S124 PolarHBondContact O-OG 2.97Å; A121-R126 WeakPolarHBondContact O-CB 3.31Å; A121-R126 PolarHBondContact O-N 3.48Å; A121-I149 HydrophobicContact CB-CD1 4.2Å; A121-I149 HydrophobicContact CB-CG2 4Å
122F93.2Very high91.5Very high39 Ų3968 Ų6817%0.17136%0.359CS..Hα-helixtrans-67.8-52.7174.9175.7-103.4000112.1A118 D119 N120 S124 N125 L134 M137A118-F122 PolarHBondContact O-N 3.12Å; D119-F122 WeakPolarHBondContact O-CB 3.39Å; D119-F122 PolarHBondContact O-N 3.32Å; D119-F122 VanDerWaalsContact O-N 3.15Å; N120-F122 VanDerWaalsContact C-N 3.28Å; N120-F122 PolarHBondContact O-N 3.4Å; F122-S124 PolarHBondContact O-N 3.35Å; F122-N125 WeakPolarHBondContact O-CA 3.48Å; F122-N125 PolarHBondContact O-N 3.2Å; F122-L134 HydrophobicContact CD2-CD2 4.06Å; F122-L134 HydrophobicContact CD2-CG 4.48Å; F122-L134 HydrophobicContact CE2-CD2 4.22Å; F122-L134 HydrophobicContact CE2-CG 4.24Å; F122-L134 WeakPolarHBondContact CE2-O 3.39Å; F122-M137 HydrophobicContact CB-CE 3.94Å; F122-M137 HydrophobicContact CB-CG 4.22Å; F122-M137 HydrophobicContact CB-SD 3.71Å; F122-M137 HydrophobicContact CD1-CB 3.99Å; F122-M137 HydrophobicContact CD1-CG 4.22Å; F122-M137 HydrophobicContact CD2-CB 3.86Å; F122-M137 HydrophobicContact CD2-CG 4.1Å; F122-M137 HydrophobicContact CD2-SD 3.66Å; F122-M137 HydrophobicContact CE1-CB 3.98Å; F122-M137 HydrophobicContact CE2-CB 3.85Å; F122-M137 HydrophobicContact CE2-SD 4.48Å; F122-M137 HydrophobicContact CG-CB 3.93Å; F122-M137 HydrophobicContact CG-CG 3.9Å; F122-M137 HydrophobicContact CG-SD 3.74Å; F122-M137 HydrophobicContact CZ-CB 3.92Å
123F92.8Very high91.6Very high154 Ų15468.5 Ų68.568%0.67536%0.356SS*.Hα-helixtrans-63.9-28.3179.6-70-59.2000113.3D119 N120 N125D119-F123 HydrophobicContact CB-CD2 4.36Å; D119-F123 HydrophobicContact CB-CE2 4.14Å; D119-F123 WeakPolarHBondContact O-CD2 3.39Å; D119-F123 PolarHBondContact O-N 3.13Å; N120-F123 PolarHBondContact O-N 3.22Å; F123-N125 PolarHBondContact O-N 3.35Å
124S90.2Very high91.7Very high54 Ų5468 Ų6838%0.37835%0.354SS..THydrogen-bonded Turntrans-80.99.7172.453.80000113.6N120 A121 F122 R126N120-S124 VanDerWaalsContact O-CB 3.27Å; N120-S124 WeakPolarHBondContact O-CB 3.39Å; N120-S124 PolarHBondContact O-N 3.42Å; N120-S124 PolarHBondContact O-OG 3.07Å; A121-S124 WeakPolarHBondContact CA-OG 3.45Å; A121-S124 PolarHBondContact O-OG 2.97Å; F122-S124 PolarHBondContact O-N 3.35Å; S124-R126 PolarHBondContact O-N 2.89Å; S124-R126 PolarHBondContact OG-NE 2.95Å; S124-R126 PolarHBondContact OG-NH2 2.7Å
125N91Very high91.8Very high100 Ų10073 Ų7354%0.53537%0.368SS..THydrogen-bonded Turntrans5534-179-68.6-39000113.8F122 F123 R128F122-N125 WeakPolarHBondContact O-CA 3.48Å; F122-N125 PolarHBondContact O-N 3.2Å; F123-N125 PolarHBondContact O-N 3.35Å; N125-R128 VanDerWaalsContact O-CZ 3.27Å; N125-R128 PolarHBondContact O-NH1 2.94Å; N125-R128 PolarHBondContact O-NH2 2.79Å
126R89.8Confident91.9Very high79 Ų7971.4 Ų71.430%0.29837%0.366SS..  trans-99.3-11.9179.5-70-175.4-63.5178.7-4.2114.1A121 S124 I149 V150A121-R126 WeakPolarHBondContact O-CB 3.31Å; A121-R126 PolarHBondContact O-N 3.48Å; S124-R126 PolarHBondContact O-N 2.89Å; S124-R126 PolarHBondContact OG-NE 2.95Å; S124-R126 PolarHBondContact OG-NH2 2.7Å; R126-I149 HydrophobicContact CB-CG2 4.49Å; R126-I149 WeakPolarHBondContact O-CA 3.39Å; R126-V150 HydrophobicContact CB-CB 4.39Å; R126-V150 WeakPolarHBondContact CB-O 3.47Å; R126-V150 WeakPolarHBondContact CD-O 3.2Å; R126-V150 PolarHBondContact O-N 2.83Å
127C92.7Very high91.9Very high3 Ų368.9 Ų68.92%0.0235%0.347CS..EExtended strand (participates in β ladder)trans-75.6134.1173.2-650000111F103 L134 D148F103-C127 HydrophobicContact CE1-CB 4Å; F103-C127 HydrophobicContact CZ-CB 4.04Å; C127-L134 HydrophobicContact CB-CB 4.04Å; C127-L134 HydrophobicContact CB-CD2 4.06Å; C127-L134 PolarHBondContact O-N 3.29Å; C127-D148 CarbonylContact C-O 3.49Å; C127-D148 WeakPolarHBondContact CA-O 3.49Å
128R93Very high92.2Very high43 Ų4367.9 Ų67.916%0.16234%0.34CS..EExtended strand (participates in β ladder)trans-126.5143.3170.8-52.9-76.4174.5-94.2-3.4110.4N125 E132 D148 V150N125-R128 VanDerWaalsContact O-CZ 3.27Å; N125-R128 PolarHBondContact O-NH1 2.94Å; N125-R128 PolarHBondContact O-NH2 2.79Å; R128-E132 CarbonylContact C-O 3.55Å; R128-E132 WeakPolarHBondContact CA-O 3.41Å; R128-E132 WeakPolarHBondContact CB-O 3.47Å; R128-E132 WeakPolarHBondContact CD-O 3.48Å; R128-D148 HydrophobicContact CB-CB 4.17Å; R128-D148 PolarHBondContact N-O 3.43Å; R128-D148 PolarHBondContact O-N 2.81Å; R128-V150 HydrophobicContact CG-CG2 3.89Å
129L94.4Very high92.3Very high30 Ų3070 Ų7016%0.15735%0.354CS..EExtended strand (participates in β ladder)trans-118.6122.3169.6178.464.7000107.5F103 G131 E132 L134 T139 D145 K146 L147F103-L129 HydrophobicContact CD2-CD1 4.19Å; F103-L129 HydrophobicContact CE2-CB 4.27Å; F103-L129 HydrophobicContact CE2-CD1 4.33Å; L129-G131 PolarHBondContact O-N 2.88Å; L129-E132 PolarHBondContact N-O 2.79Å; L129-E132 PolarHBondContact O-N 2.82Å; L129-L134 HydrophobicContact CB-CD1 4.08Å; L129-L134 HydrophobicContact CD2-CD1 4.3Å; L129-T139 HydrophobicContact CD2-CG2 4.08Å; L129-D145 HydrophobicContact CD1-CB 4.07Å; L129-K146 CarbonylContact C-O 3.23Å; L129-K146 WeakPolarHBondContact CA-O 3.21Å; L129-L147 HydrophobicContact CD1-CD1 4.22Å; L129-L147 HydrophobicContact CD1-CG 4.17Å
130N92.6Very high92.4Very high76 Ų7671.4 Ų71.441%0.40636%0.364SS..THydrogen-bonded Turntrans53.325.3-176.5-62.6-32.2000114.4D145 K146N130-D145 PolarHBondContact ND2-OD1 2.85Å; N130-D145 WeakPolarHBondContact OD1-CA 3.4Å; N130-K146 PolarHBondContact N-O 3.15Å; N130-K146 PolarHBondContact OD1-N 3.49Å
131G89.2Confident92.6Very high53 Ų5366.9 Ų66.955%0.54634%0.339SS..THydrogen-bonded Turntrans95.6-15.3-177.200000114.7L129L129-G131 PolarHBondContact O-N 2.88Å
132E91.8Very high92.9Very high145 Ų14574 Ų7468%0.67837%0.367SS*.EExtended strand (participates in β ladder)trans-90.5154.6-179.7-62.5-171.3166.200112.7R128 L129 L134R128-E132 CarbonylContact C-O 3.55Å; R128-E132 WeakPolarHBondContact CA-O 3.41Å; R128-E132 WeakPolarHBondContact CB-O 3.47Å; R128-E132 WeakPolarHBondContact CD-O 3.48Å; L129-E132 PolarHBondContact N-O 2.79Å; L129-E132 PolarHBondContact O-N 2.82Å; E132-L134 PolarHBondContact O-N 2.76Å
133K92.1Very high93Very high124 Ų12476.2 Ų76.254%0.53938%0.379SS..EExtended strand (participates in β ladder)trans-64.3127.6176.2-59.7-161.8174.41710110.5F135K133-F135 PolarHBondContact O-N 2.84Å
134L92.7Very high93Very high13 Ų1369.3 Ų69.37%0.06835%0.351CS..  trans-76.8116178.9-173.471.3000111F103 F122 C127 L129 E132 K136 M137F103-L134 HydrophobicContact CB-CD2 4.33Å; F103-L134 HydrophobicContact CD1-CD2 3.35Å; F103-L134 HydrophobicContact CD2-CD1 4.31Å; F103-L134 HydrophobicContact CD2-CD2 3.96Å; F103-L134 HydrophobicContact CE1-CD2 3.52Å; F103-L134 HydrophobicContact CE2-CD2 4.07Å; F103-L134 HydrophobicContact CG-CD1 4.48Å; F103-L134 HydrophobicContact CG-CD2 3.61Å; F103-L134 HydrophobicContact CZ-CD2 3.88Å; F122-L134 HydrophobicContact CD2-CD2 4.06Å; F122-L134 HydrophobicContact CD2-CG 4.48Å; F122-L134 HydrophobicContact CE2-CD2 4.22Å; F122-L134 HydrophobicContact CE2-CG 4.24Å; F122-L134 WeakPolarHBondContact CE2-O 3.39Å; C127-L134 HydrophobicContact CB-CB 4.04Å; C127-L134 HydrophobicContact CB-CD2 4.06Å; C127-L134 PolarHBondContact O-N 3.29Å; L129-L134 HydrophobicContact CB-CD1 4.08Å; L129-L134 HydrophobicContact CD2-CD1 4.3Å; E132-L134 PolarHBondContact O-N 2.76Å; L134-K136 WeakPolarHBondContact CD1-O 3.45Å; L134-K136 WeakPolarHBondContact CG-O 3.16Å; L134-M137 HydrophobicContact CD2-SD 3.96Å
135F91.6Very high93.3Very high188 Ų18867.7 Ų67.783%0.82534%0.339SS*.SBendtrans-83.9-29.3178.2-62.9-73.6000114.1K133K133-F135 PolarHBondContact O-N 2.84Å
136K94.5Very high93.4Very high144 Ų14465.5 Ų65.563%0.62632%0.324SS*.  trans-131.2120.4-177.5-173.1179.1-177.71800110.3L134 G138 T139L134-K136 WeakPolarHBondContact CD1-O 3.45Å; L134-K136 WeakPolarHBondContact CG-O 3.16Å; K136-G138 PolarHBondContact O-N 3.38Å; K136-T139 PolarHBondContact O-N 3.23Å; K136-T139 PolarHBondContact O-OG1 3.41Å
137M91.8Very high93.6Very high18 Ų1861.8 Ų61.89%0.08931%0.31CS..THydrogen-bonded Turntrans-66.2-25.2-178.1-161.943.9172.600113F103 D104 A118 F122 L134F103-M137 HydrophobicContact CD1-CE 4.36Å; F103-M137 HydrophobicContact CD1-SD 3.77Å; F103-M137 HydrophobicContact CE1-SD 4.16Å; D104-M137 HydrophobicContact CB-CE 3.82Å; D104-M137 HydrophobicContact CB-CG 3.76Å; D104-M137 HydrophobicContact CB-SD 4.06Å; D104-M137 PolarHBondContact N-O 3.05Å; A118-M137 HydrophobicContact CB-CE 3.96Å; A118-M137 WeakPolarHBondContact O-CE 3.38Å; F122-M137 HydrophobicContact CB-CE 3.94Å; F122-M137 HydrophobicContact CB-CG 4.22Å; F122-M137 HydrophobicContact CB-SD 3.71Å; F122-M137 HydrophobicContact CD1-CB 3.99Å; F122-M137 HydrophobicContact CD1-CG 4.22Å; F122-M137 HydrophobicContact CD2-CB 3.86Å; F122-M137 HydrophobicContact CD2-CG 4.1Å; F122-M137 HydrophobicContact CD2-SD 3.66Å; F122-M137 HydrophobicContact CE1-CB 3.98Å; F122-M137 HydrophobicContact CE2-CB 3.85Å; F122-M137 HydrophobicContact CE2-SD 4.48Å; F122-M137 HydrophobicContact CG-CB 3.93Å; F122-M137 HydrophobicContact CG-CG 3.9Å; F122-M137 HydrophobicContact CG-SD 3.74Å; F122-M137 HydrophobicContact CZ-CB 3.92Å; L134-M137 HydrophobicContact CD2-SD 3.96Å
138G93.7Very high93.6Very high19 Ų1962.4 Ų62.420%0.19631%0.313CS..THydrogen-bonded Turntrans-90.517177.500000115.5K136K136-G138 PolarHBondContact O-N 3.38Å
139T95.8Very high93.5Very high46 Ų4661 Ų6128%0.28231%0.309SS..  trans-61.3138.8174.8-61.30000110.6R102 F103 L129 K136R102-T139 CarbonylContact C-O 3.58Å; R102-T139 WeakPolarHBondContact CA-O 3.16Å; F103-T139 PolarHBondContact N-O 2.84Å; L129-T139 HydrophobicContact CD2-CG2 4.08Å; K136-T139 PolarHBondContact O-N 3.23Å; K136-T139 PolarHBondContact O-OG1 3.41Å
140T95.8Very high93.2Very high70 Ų7061.4 Ų61.443%0.42931%0.313SS..BIsolated β-bridgetrans-74.9138.9175.2480000110.3L101 Y142L101-T140 CarbonylContact O-C 3.55Å; L101-T140 WeakPolarHBondContact O-CA 3.1Å; T140-Y142 PolarHBondContact OG1-OH 3.25Å
141V96Very high92.5Very high2 Ų258.8 Ų58.81%0.01230%0.298CS..  trans-106.9141.3-177.2-179.90000109L101 F103 I106 D145 L147 V164L101-V141 PolarHBondContact O-N 3.41Å; F103-V141 VanDerWaalsContact CA-CG2 3.48Å; F103-V141 HydrophobicContact CB-CG2 3.93Å; F103-V141 HydrophobicContact CD2-CG2 4.41Å; I106-V141 HydrophobicContact CG1-CB 4.32Å; I106-V141 HydrophobicContact CG1-CG2 4.29Å; V141-D145 HydrophobicContact CG1-CB 3.82Å; V141-L147 HydrophobicContact CG1-CD1 3.77Å; V141-L147 HydrophobicContact CG1-CD2 4.37Å; V141-L147 HydrophobicContact CG2-CD2 4.02Å; V141-V164 HydrophobicContact CG1-CG2 3.49Å; V141-V164 VanDerWaalsContact CG1-CG2 3.49Å
142Y96.3Very high91.6Very high154 Ų15461.2 Ų61.260%0.60430%0.299SS*.  trans-117170.7-179.8-58.9-77.4000111.7T140 D145 V164T140-Y142 PolarHBondContact OG1-OH 3.25Å; Y142-D145 PolarHBondContact N-OD2 3.41Å; Y142-D145 WeakPolarHBondContact O-CB 3.37Å; Y142-D145 PolarHBondContact O-N 2.87Å; Y142-V164 WeakPolarHBondContact O-CB 3.07Å
143I94.9Very high90.3Very high86 Ų8661.8 Ų61.844%0.44131%0.307SS..THydrogen-bonded Turntrans-61.5138.1174.2-64.4169.1000109.1D145 L165 I167I143-D145 VanDerWaalsContact C-N 3.31Å; I143-D145 PolarHBondContact O-N 2.89Å; I143-L165 VanDerWaalsContact CG2-O 3.29Å; I143-L165 WeakPolarHBondContact CG2-O 3.18Å; I143-I167 HydrophobicContact CD1-CB 4.34Å; I143-I167 HydrophobicContact CG1-CB 4.14Å; I143-I167 HydrophobicContact CG1-CD1 3.94Å; I143-I167 HydrophobicContact CG1-CG1 3.77Å
144G93.5Very high88.6Confident8 Ų861.2 Ų61.28%0.08231%0.314CS..THydrogen-bonded Turntrans88.8-17.2-17800000114.9R163 V164G144-R163 PolarHBondContact O-NH1 3.39Å; G144-V164 WeakPolarHBondContact CA-O 3.32Å; G144-V164 PolarHBondContact N-O 3.25Å
145D95.5Very high86.7Confident21 Ų2170.4 Ų70.411%0.11236%0.356CS..  trans-61.6139-178.4-80.2-20000112.5L129 N130 V141 Y142 I143 L147 R163 V164L129-D145 HydrophobicContact CD1-CB 4.07Å; N130-D145 PolarHBondContact ND2-OD1 2.85Å; N130-D145 WeakPolarHBondContact OD1-CA 3.4Å; V141-D145 HydrophobicContact CG1-CB 3.82Å; Y142-D145 PolarHBondContact N-OD2 3.41Å; Y142-D145 WeakPolarHBondContact O-CB 3.37Å; Y142-D145 PolarHBondContact O-N 2.87Å; I143-D145 VanDerWaalsContact C-N 3.31Å; I143-D145 PolarHBondContact O-N 2.89Å; D145-L147 HydrophobicContact CB-CD1 3.93Å; D145-R163 WeakPolarHBondContact O-CA 3.31Å; D145-V164 PolarHBondContact O-N 2.99Å; D145-V164 VanDerWaalsContact O-N 3.14Å
146K93.6Very high84.9Confident54 Ų5463.2 Ų63.224%0.23534%0.335CS..EExtended strand (participates in β ladder)trans-101.2115.7173.3-66.5-180-73.9-153.70110.1E83 L129 N130E83-K146 IonicContact OE2-NZ 2.74Å; L129-K146 CarbonylContact C-O 3.23Å; L129-K146 WeakPolarHBondContact CA-O 3.21Å; N130-K146 PolarHBondContact N-O 3.15Å; N130-K146 PolarHBondContact OD1-N 3.49Å
147L94.8Very high82.8Confident0 Ų060.7 Ų60.70%033%0.333CS..EExtended strand (participates in β ladder)trans-108.9114.1177.7-61.665.7000108.5F103 I106 I107 L129 V141 D145 R161 V162 V164F103-L147 HydrophobicContact CD2-CB 4.25Å; F103-L147 HydrophobicContact CD2-CD2 3.59Å; F103-L147 HydrophobicContact CD2-CG 3.62Å; F103-L147 HydrophobicContact CE2-CB 3.57Å; F103-L147 HydrophobicContact CE2-CD2 3.76Å; F103-L147 HydrophobicContact CE2-CG 3.45Å; F103-L147 VanDerWaalsContact CE2-CG 3.45Å; F103-L147 HydrophobicContact CG-CD2 4.16Å; F103-L147 HydrophobicContact CZ-CB 4.05Å; F103-L147 HydrophobicContact CZ-CD2 4.42Å; F103-L147 HydrophobicContact CZ-CG 4.33Å; I106-L147 HydrophobicContact CB-CD2 3.99Å; I106-L147 HydrophobicContact CG2-CD2 3.85Å; I107-L147 HydrophobicContact CB-CD2 4.33Å; I107-L147 HydrophobicContact CD1-CB 3.81Å; L129-L147 HydrophobicContact CD1-CD1 4.22Å; L129-L147 HydrophobicContact CD1-CG 4.17Å; V141-L147 HydrophobicContact CG1-CD1 3.77Å; V141-L147 HydrophobicContact CG1-CD2 4.37Å; V141-L147 HydrophobicContact CG2-CD2 4.02Å; D145-L147 HydrophobicContact CB-CD1 3.93Å; L147-R161 CarbonylContact O-C 3.52Å; L147-R161 WeakPolarHBondContact O-CA 3.29Å; L147-V162 HydrophobicContact CB-CB 4.32Å; L147-V162 PolarHBondContact N-O 2.9Å; L147-V162 PolarHBondContact O-N 2.93Å; L147-V164 HydrophobicContact CD1-CG2 4.05Å
148D92.2Very high81.3Confident16 Ų1665.4 Ų65.49%0.08636%0.363CS..EExtended strand (participates in β ladder)trans-115.3145.2-177-63.1-33.9000111.7C127 R128 K160 R161C127-D148 CarbonylContact C-O 3.49Å; C127-D148 WeakPolarHBondContact CA-O 3.49Å; R128-D148 HydrophobicContact CB-CB 4.17Å; R128-D148 PolarHBondContact N-O 3.43Å; R128-D148 PolarHBondContact O-N 2.81Å; D148-K160 CarbonylContact C-O 3.56Å; D148-K160 VanDerWaalsContact CA-O 3.29Å; D148-K160 WeakPolarHBondContact CA-O 3.31Å; D148-R161 VanDerWaalsContact OD1-CA 3.31Å; D148-R161 WeakPolarHBondContact OD1-CA 3.07Å; D148-R161 WeakPolarHBondContact OD1-CB 3.38Å; D148-R161 WeakPolarHBondContact OD1-CD 3.47Å; D148-R161 WeakPolarHBondContact OD1-CG 3.17Å; D148-R161 IonicContact OD1-CZ 3.96Å; D148-R161 IonicContact OD1-NE 3.6Å; D148-R161 PolarHBondContact OD1-NE 3.36Å; D148-R161 IonicContact OD1-NH2 3.69Å; D148-R161 IonicContact OD2-CZ 2.76Å; D148-R161 IonicContact OD2-NE 3.74Å; D148-R161 PolarHBondContact OD2-NE 3.02Å; D148-R161 IonicContact OD2-NH2 3.47Å; D148-R161 PolarHBondContact OD2-NH2 3.19Å
149I90.9Very high80.4Confident15 Ų1565.4 Ų65.48%0.07736%0.363CS..EExtended strand (participates in β ladder)trans-114.5113.1161.5-59.7-177.3000107.6I107 L111 I113 A121 R126 G159 K160I107-I149 HydrophobicContact CD1-CD1 4.41Å; I107-I149 HydrophobicContact CD1-CG1 4.2Å; I107-I149 HydrophobicContact CG1-CD1 3.88Å; I107-I149 HydrophobicContact CG1-CG1 4.09Å; L111-I149 HydrophobicContact CD1-CB 4.44Å; L111-I149 HydrophobicContact CD1-CD1 3.59Å; L111-I149 HydrophobicContact CD1-CG1 3.95Å; I113-I149 HydrophobicContact CD1-CD1 3.52Å; A121-I149 HydrophobicContact CB-CD1 4.2Å; A121-I149 HydrophobicContact CB-CG2 4Å; R126-I149 HydrophobicContact CB-CG2 4.49Å; R126-I149 WeakPolarHBondContact O-CA 3.39Å; I149-G159 VanDerWaalsContact O-CA 3.3Å; I149-G159 WeakPolarHBondContact O-CA 3.49Å; I149-K160 HydrophobicContact CB-CB 4.39Å; I149-K160 PolarHBondContact N-O 3.28Å; I149-K160 PolarHBondContact O-N 2.89Å
150V87.4Confident80Confident38 Ų3864.1 Ų64.123%0.2335%0.354CS..  trans-68.7131.9172.9-177.80000108.6R126 R128 D152R126-V150 HydrophobicContact CB-CB 4.39Å; R126-V150 WeakPolarHBondContact CB-O 3.47Å; R126-V150 WeakPolarHBondContact CD-O 3.2Å; R126-V150 PolarHBondContact O-N 2.83Å; R128-V150 HydrophobicContact CG-CG2 3.89Å; V150-D152 WeakPolarHBondContact CG1-O 3.43Å
151I77.6Confident79.8Confident20 Ų2062.3 Ų62.310%0.10334%0.339CS..  trans-90.3-50.4-177.3-63.3175.9000110.1V158 K160 Y187I151-V158 WeakPolarHBondContact CD1-O 3.41Å; I151-K160 HydrophobicContact CD1-CG 4.13Å; I151-K160 HydrophobicContact CG1-CG 4.49Å; I151-Y187 HydrophobicContact CG2-CD2 4.05Å; I151-Y187 HydrophobicContact CG2-CE2 3.41Å; I151-Y187 VanDerWaalsContact CG2-CE2 3.41Å
152D70.6Confident79.7Confident105 Ų10562.2 Ų62.256%0.56134%0.338SS*.SBendtrans-131156.5-180-60.5-36.8000110.2V150 T154V150-D152 WeakPolarHBondContact CG1-O 3.43Å; D152-T154 PolarHBondContact O-N 2.96Å; D152-T154 VanDerWaalsContact O-N 3.15Å
153D64.1Low79.6Confident157 Ų15755 Ų5584%0.8431%0.31SS*.SBendtrans-72.42.4178.3-65.3-37.7000113.7E155D153-E155 PolarHBondContact O-N 3.1Å
154T56.8Low79.7Confident112 Ų11251 Ų5169%0.68729%0.29SS*.SBendtrans-64.2127.5175.6-36.20000109.2D152 G156D152-T154 PolarHBondContact O-N 2.96Å; D152-T154 VanDerWaalsContact O-N 3.15Å; T154-G156 PolarHBondContact O-N 3.45Å
155E53.8Low79.7Confident205 Ų20552 Ų5296%0.95829%0.293SS*.SBendtrans-59.58.8-163.3-61.1177.4167.800117.5D153D153-E155 PolarHBondContact O-N 3.1Å
156G52.6Low79.7Confident38 Ų3853.3 Ų53.339%0.39230%0.3SS..SBendtrans-105.1151.8176.400000112.7T154 V158T154-G156 PolarHBondContact O-N 3.45Å; G156-V158 PolarHBondContact O-N 2.95Å
157P50.8Low79.7Confident90 Ų9052.4 Ų52.458%0.58430%0.297SS*.  trans-7749178.437.4-38.5000111.1F87 G159F87-P157 HydrophobicContact CE2-CB 4.04Å; F87-P157 HydrophobicContact CE2-CG 4.33Å; F87-P157 WeakPolarHBondContact CE2-O 3.15Å; P157-G159 PolarHBondContact O-N 3.17Å
158V60.3Low79.7Confident118 Ų11856.2 Ų56.272%0.71531%0.314SS*.  trans-78.844.6174.4-163.30000109.4I151 G156I151-V158 WeakPolarHBondContact CD1-O 3.41Å; G156-V158 PolarHBondContact O-N 2.95Å
159G75.4Confident79.7Confident19 Ų1961.3 Ų61.320%0.19634%0.337CS..SBendtrans-100.3174.9-176.600000112.7I149 P157I149-G159 VanDerWaalsContact O-CA 3.3Å; I149-G159 WeakPolarHBondContact O-CA 3.49Å; P157-G159 PolarHBondContact O-N 3.17Å
160K87.2Confident79.6Confident19 Ų1965.4 Ų65.48%0.08336%0.359CS..EExtended strand (participates in β ladder)trans-83.8127.9165.6-58.2-177.1-179.5-175.80108L111 D148 I149 I151 Y188L111-K160 HydrophobicContact CD1-CB 3.49Å; L111-K160 VanDerWaalsContact CD1-CB 3.49Å; L111-K160 HydrophobicContact CD1-CD 3.9Å; L111-K160 HydrophobicContact CD1-CG 4.35Å; L111-K160 HydrophobicContact CD2-CB 3.76Å; L111-K160 HydrophobicContact CG-CB 4.26Å; D148-K160 CarbonylContact C-O 3.56Å; D148-K160 VanDerWaalsContact CA-O 3.29Å; D148-K160 WeakPolarHBondContact CA-O 3.31Å; I149-K160 HydrophobicContact CB-CB 4.39Å; I149-K160 PolarHBondContact N-O 3.28Å; I149-K160 PolarHBondContact O-N 2.89Å; I151-K160 HydrophobicContact CD1-CG 4.13Å; I151-K160 HydrophobicContact CG1-CG 4.49Å; K160-Y188 PolarHBondContact NZ-OH 2.78Å
161R91.2Very high79.6Confident31 Ų3170.9 Ų70.912%0.11738%0.379CS..EExtended strand (participates in β ladder)trans-117.8145.6179.9178.2164.7-71.7173.71.5111.3F87 L147 D148 W182F87-R161 HydrophobicContact CD1-CB 4.49Å; F87-R161 HydrophobicContact CE1-CB 3.69Å; F87-R161 HydrophobicContact CE1-CG 4.4Å; F87-R161 HydrophobicContact CZ-CB 3.83Å; L147-R161 CarbonylContact O-C 3.52Å; L147-R161 WeakPolarHBondContact O-CA 3.29Å; D148-R161 VanDerWaalsContact OD1-CA 3.31Å; D148-R161 WeakPolarHBondContact OD1-CA 3.07Å; D148-R161 WeakPolarHBondContact OD1-CB 3.38Å; D148-R161 WeakPolarHBondContact OD1-CD 3.47Å; D148-R161 WeakPolarHBondContact OD1-CG 3.17Å; D148-R161 IonicContact OD1-CZ 3.96Å; D148-R161 IonicContact OD1-NE 3.6Å; D148-R161 PolarHBondContact OD1-NE 3.36Å; D148-R161 IonicContact OD1-NH2 3.69Å; D148-R161 IonicContact OD2-CZ 2.76Å; D148-R161 IonicContact OD2-NE 3.74Å; D148-R161 PolarHBondContact OD2-NE 3.02Å; D148-R161 IonicContact OD2-NH2 3.47Å; D148-R161 PolarHBondContact OD2-NH2 3.19Å; R161-W182 HydrophobicContact CB-CB 4.34Å; R161-W182 HydrophobicContact CB-CD2 4.2Å; R161-W182 HydrophobicContact CB-CE3 3.65Å; R161-W182 HydrophobicContact CB-CZ3 4.29Å; R161-W182 HydrophobicContact CG-CD2 4.43Å; R161-W182 HydrophobicContact CG-CE3 3.58Å; R161-W182 HydrophobicContact CG-CZ3 3.68Å; R161-W182 PolarHBondContact O-N 2.57Å
162V94.6Very high79.8Confident0 Ų077.9 Ų77.90%041%0.411CS..EExtended strand (participates in β ladder)trans-131.2124.3166.7179.30000107.8I107 L111 L147 L179 R180I107-V162 HydrophobicContact CD1-CB 4.33Å; I107-V162 HydrophobicContact CD1-CG2 3.9Å; L111-V162 HydrophobicContact CD1-CG2 4.46Å; L111-V162 HydrophobicContact CD2-CG2 3.51Å; L111-V162 HydrophobicContact CG-CG2 3.6Å; L147-V162 HydrophobicContact CB-CB 4.32Å; L147-V162 PolarHBondContact N-O 2.9Å; L147-V162 PolarHBondContact O-N 2.93Å; V162-L179 HydrophobicContact CG1-CB 4.15Å; V162-L179 HydrophobicContact CG1-CD1 4.07Å; V162-L179 HydrophobicContact CG1-CD2 4.08Å; V162-L179 HydrophobicContact CG1-CG 4.34Å; V162-R180 CarbonylContact C-O 3.59Å; V162-R180 VanDerWaalsContact CA-O 3.31Å; V162-R180 WeakPolarHBondContact CA-O 3.48Å
163R94.7Very high80.6Confident4 Ų478.5 Ų78.52%0.01542%0.415CS..EExtended strand (participates in β ladder)trans-103.9138.2166.9-176.1174.5-60.6-10324.6109.8E83 D84 G144 D145 L179 R180 W182E83-R163 IonicContact OE2-NH2 3.95Å; E83-R163 PolarHBondContact OE2-NH2 3.18Å; E83-R163 VanDerWaalsContact OE2-NH2 3.1Å; D84-R163 VanDerWaalsContact CG-NE 3.26Å; D84-R163 IonicContact OD1-CZ 3.18Å; D84-R163 IonicContact OD1-NE 2.71Å; D84-R163 PolarHBondContact OD1-NE 3.27Å; D84-R163 IonicContact OD1-NH2 3.69Å; D84-R163 PolarHBondContact OD1-NH2 2.89Å; D84-R163 WeakPolarHBondContact OD2-CD 3.03Å; D84-R163 IonicContact OD2-NE 3.08Å; D84-R163 PolarHBondContact OD2-NE 3.36Å; D84-R163 VanDerWaalsContact OD2-NE 3.08Å; G144-R163 PolarHBondContact O-NH1 3.39Å; D145-R163 WeakPolarHBondContact O-CA 3.31Å; R163-L179 CarbonylContact O-C 3.57Å; R163-L179 WeakPolarHBondContact O-CA 3.46Å; R163-R180 HydrophobicContact CB-CB 4.34Å; R163-R180 PolarHBondContact N-O 3.47Å; R163-R180 PolarHBondContact O-N 3.22Å; R163-W182 HydrophobicContact CB-CH2 4.35Å; R163-W182 HydrophobicContact CB-CZ3 4.05Å
164V96.1Very high82Confident2 Ų275.6 Ų75.61%0.01240%0.395CS..EExtended strand (participates in β ladder)trans-88.4117.3170.9-172.10000109.2I106 V141 Y142 G144 D145 L147 I167 L179I106-V164 HydrophobicContact CG2-CG2 4.14Å; V141-V164 HydrophobicContact CG1-CG2 3.49Å; V141-V164 VanDerWaalsContact CG1-CG2 3.49Å; Y142-V164 WeakPolarHBondContact O-CB 3.07Å; G144-V164 WeakPolarHBondContact CA-O 3.32Å; G144-V164 PolarHBondContact N-O 3.25Å; D145-V164 PolarHBondContact O-N 2.99Å; D145-V164 VanDerWaalsContact O-N 3.14Å; L147-V164 HydrophobicContact CD1-CG2 4.05Å; V164-I167 HydrophobicContact CG1-CD1 3.83Å; V164-I167 HydrophobicContact CG1-CG1 3.62Å; V164-L179 HydrophobicContact CB-CD2 4.19Å; V164-L179 HydrophobicContact CG1-CD2 4.18Å; V164-L179 HydrophobicContact CG2-CD2 3.79Å
165L94.1Very high83.8Confident28 Ų2872.1 Ų72.115%0.14737%0.369CS..EExtended strand (participates in β ladder)trans-92.3-44.3-179.4-64.9174.3000111.5Q93 I143 S178 R180Q93-L165 HydrophobicContact CG-CD1 4.07Å; Q93-L165 VanDerWaalsContact NE2-CD1 3.32Å; I143-L165 VanDerWaalsContact CG2-O 3.29Å; I143-L165 WeakPolarHBondContact CG2-O 3.18Å; L165-S178 WeakPolarHBondContact CB-O 3.46Å; L165-S178 PolarHBondContact N-O 3.37Å; L165-R180 HydrophobicContact CD1-CB 4.04Å; L165-R180 HydrophobicContact CG-CB 4.24Å
166D93.8Very high85.8Confident49 Ų4965.6 Ų65.626%0.26234%0.338SS..EExtended strand (participates in β ladder)trans-152.9150.1-176.7177.838.4000111K168 I177 S178D166-K168 WeakPolarHBondContact OD2-CE 3.42Å; D166-K168 WeakPolarHBondContact OD2-CG 3.39Å; D166-I177 WeakPolarHBondContact O-CA 3.45Å; D166-S178 PolarHBondContact N-O 2.95Å; D166-S178 PolarHBondContact O-N 3.43Å
167I94.9Very high87.9Confident34 Ų3463.8 Ų63.817%0.17432%0.319CS..EExtended strand (participates in β ladder)trans-137.9106.6179.6-54.7175.3000108.8L101 I143 V164 Y175 I177L101-I167 HydrophobicContact CD1-CD1 4.19Å; L101-I167 HydrophobicContact CD1-CG2 3.87Å; L101-I167 HydrophobicContact CD2-CD1 4.23Å; L101-I167 HydrophobicContact CD2-CG2 3.65Å; L101-I167 HydrophobicContact CG-CG2 4.4Å; I143-I167 HydrophobicContact CD1-CB 4.34Å; I143-I167 HydrophobicContact CG1-CB 4.14Å; I143-I167 HydrophobicContact CG1-CD1 3.94Å; I143-I167 HydrophobicContact CG1-CG1 3.77Å; V164-I167 HydrophobicContact CG1-CD1 3.83Å; V164-I167 HydrophobicContact CG1-CG1 3.62Å; I167-Y175 HydrophobicContact CG2-CD1 4.21Å; I167-I177 HydrophobicContact CG1-CG2 4.26Å; I167-I177 HydrophobicContact CG2-CG2 4.19Å
168K94.1Very high90Very high81 Ų8160.7 Ų60.735%0.35230%0.3SS..EExtended strand (participates in β ladder)trans-101.9122.2173.1-62.4-176.3177.3-168.10110.6E72 D166 Y175 K176E72-K168 IonicContact OE1-NZ 2.6Å; E72-K168 PolarHBondContact OE1-NZ 2.84Å; D166-K168 WeakPolarHBondContact OD2-CE 3.42Å; D166-K168 WeakPolarHBondContact OD2-CG 3.39Å; K168-Y175 CarbonylContact O-C 3.58Å; K168-Y175 WeakPolarHBondContact O-CA 3.43Å; K168-K176 HydrophobicContact CB-CB 4.34Å; K168-K176 PolarHBondContact N-O 3.13Å; K168-K176 PolarHBondContact O-N 3.13Å
169Q92.3Very high91.7Very high123 Ų12355.1 Ų55.158%0.57527%0.266SS*.EExtended strand (participates in β ladder)trans-86.3117.6175.3-174.8169-2.500110.1Y175Q169-Y175 HydrophobicContact CB-CD1 3.84Å; Q169-Y175 HydrophobicContact CB-CE1 3.88Å; Q169-Y175 VanDerWaalsContact CD-CE1 3.48Å; Q169-Y175 HydrophobicContact CG-CD1 3.88Å; Q169-Y175 HydrophobicContact CG-CE1 3.58Å
170L89Confident92.6Very high101 Ų10154.6 Ų54.653%0.52926%0.258SS..EExtended strand (participates in β ladder)trans-93.5-48.1-177-129.973000111.9Y97 K174Y97-L170 HydrophobicContact CE1-CD2 4.35Å; L170-K174 WeakPolarHBondContact CB-O 3.25Å; L170-K174 PolarHBondContact N-O 2.77Å
171K87.5Confident92.9Very high153 Ų15353.7 Ų53.767%0.66525%0.254SS*.EExtended strand (participates in β ladder)trans-139.4171177.2-64.4-171.3177.9-1720108.8N173 K174K171-N173 PolarHBondContact O-N 2.96Å; K171-K174 HydrophobicContact CB-CB 4.32Å; K171-K174 PolarHBondContact N-O 2.73Å; K171-K174 PolarHBondContact O-N 3.24Å; K171-K174 VanDerWaalsContact O-N 3.1Å
172Q82.3Confident92.9Very high166 Ų16652.8 Ų52.878%0.77625%0.251SS*.THydrogen-bonded Turntrans-45.6-38.1-177.2-72.2-177.4-9.500114.3
173N87.4Confident92.4Very high118 Ų11856.4 Ų56.463%0.63126%0.264SS*.THydrogen-bonded Turntrans-12525.3-178.3-67.5-41.2000113.7K99 K171K99-N173 VanDerWaalsContact CA-O 3.29Å; K99-N173 WeakPolarHBondContact CA-O 3.04Å; K171-N173 PolarHBondContact O-N 2.96Å
174K93.1Very high91.3Very high97 Ų9759.9 Ų59.942%0.42228%0.283SS..EExtended strand (participates in β ladder)trans-135.4111.2179.2-165.4178.7-178.8-177.10109.7Y97 L170 K171Y97-K174 HydrophobicContact CD1-CG 4.32Å; L170-K174 WeakPolarHBondContact CB-O 3.25Å; L170-K174 PolarHBondContact N-O 2.77Å; K171-K174 HydrophobicContact CB-CB 4.32Å; K171-K174 PolarHBondContact N-O 2.73Å; K171-K174 PolarHBondContact O-N 3.24Å; K171-K174 VanDerWaalsContact O-N 3.1Å
175Y95.1Very high89.9Confident39 Ų3966.9 Ų66.915%0.15332%0.316CS..EExtended strand (participates in β ladder)trans-111.8131.6177.8-56.5-92000109.1Y97 V98 L101 I167 K168 Q169Y97-Y175 CarbonylContact C-O 3.56Å; Y97-Y175 VanDerWaalsContact CA-O 3.25Å; Y97-Y175 WeakPolarHBondContact CA-O 3.38Å; V98-Y175 PolarHBondContact N-O 3.12Å; V98-Y175 PolarHBondContact O-N 2.82Å; L101-Y175 HydrophobicContact CD1-CD1 4.06Å; L101-Y175 HydrophobicContact CD1-CE1 4.02Å; L101-Y175 HydrophobicContact CD2-CD1 4.02Å; L101-Y175 HydrophobicContact CD2-CD2 4.23Å; L101-Y175 HydrophobicContact CD2-CG 3.78Å; L101-Y175 HydrophobicContact CG-CD1 4.1Å; L101-Y175 HydrophobicContact CG-CD2 4.29Å; L101-Y175 HydrophobicContact CG-CE1 4.25Å; L101-Y175 HydrophobicContact CG-CE2 4.44Å; L101-Y175 HydrophobicContact CG-CG 4.12Å; I167-Y175 HydrophobicContact CG2-CD1 4.21Å; K168-Y175 CarbonylContact O-C 3.58Å; K168-Y175 WeakPolarHBondContact O-CA 3.43Å; Q169-Y175 HydrophobicContact CB-CD1 3.84Å; Q169-Y175 HydrophobicContact CB-CE1 3.88Å; Q169-Y175 VanDerWaalsContact CD-CE1 3.48Å; Q169-Y175 HydrophobicContact CG-CD1 3.88Å; Q169-Y175 HydrophobicContact CG-CE1 3.58Å
176K96.3Very high88.2Confident67 Ų6771.6 Ų71.629%0.29134%0.34SS..EExtended strand (participates in β ladder)trans-89.1119.9165.7-173.7-177.3179.7-172.20106.7S96 Y97 K168S96-K176 WeakPolarHBondContact O-CA 3.31Å; Y97-K176 HydrophobicContact CD1-CB 3.99Å; Y97-K176 HydrophobicContact CD1-CG 4.37Å; Y97-K176 HydrophobicContact CE1-CB 3.72Å; Y97-K176 HydrophobicContact CE1-CD 4.22Å; Y97-K176 HydrophobicContact CE1-CG 3.83Å; K168-K176 HydrophobicContact CB-CB 4.34Å; K168-K176 PolarHBondContact N-O 3.13Å; K168-K176 PolarHBondContact O-N 3.13Å
177I95.9Very high86.8Confident0 Ų071.7 Ų71.70%034%0.337CS..EExtended strand (participates in β ladder)trans-116.5139.3-178.860.5174.9000109.9S95 S96 V98 L101 I106 D166 I167 L179S95-I177 CarbonylContact C-O 3.46Å; S95-I177 VanDerWaalsContact CA-O 3.26Å; S95-I177 WeakPolarHBondContact CA-O 3.35Å; S96-I177 PolarHBondContact N-O 3.15Å; S96-I177 WeakPolarHBondContact O-CG1 3.27Å; S96-I177 PolarHBondContact O-N 3.38Å; S96-I177 WeakPolarHBondContact OG-CD1 3.36Å; S96-I177 VanDerWaalsContact OG-CG1 3.22Å; S96-I177 WeakPolarHBondContact OG-CG1 3.48Å; V98-I177 HydrophobicContact CB-CD1 4.35Å; V98-I177 HydrophobicContact CG1-CD1 3.51Å; V98-I177 HydrophobicContact CG1-CG1 4.3Å; V98-I177 HydrophobicContact CG2-CD1 3.9Å; V98-I177 HydrophobicContact CG2-CG1 4.33Å; V98-I177 HydrophobicContact CG2-CG2 3.82Å; L101-I177 HydrophobicContact CD2-CG2 3.98Å; I106-I177 HydrophobicContact CD1-CD1 3.43Å; I106-I177 VanDerWaalsContact CD1-CD1 3.43Å; I106-I177 HydrophobicContact CD1-CG2 4.39Å; D166-I177 WeakPolarHBondContact O-CA 3.45Å; I167-I177 HydrophobicContact CG1-CG2 4.26Å; I167-I177 HydrophobicContact CG2-CG2 4.19Å; I177-L179 HydrophobicContact CD1-CD1 3.77Å; I177-L179 HydrophobicContact CD1-CD2 4.19Å; I177-L179 HydrophobicContact CD1-CG 4.02Å; I177-L179 HydrophobicContact CG1-CD1 4.42Å; I177-L179 HydrophobicContact CG1-CG 4.24Å
178S95.6Very high85.3Confident26 Ų2674.1 Ų74.118%0.18235%0.345CS..EExtended strand (participates in β ladder)trans-108.1119171.8-66.30000108.5L165 D166L165-S178 WeakPolarHBondContact CB-O 3.46Å; L165-S178 PolarHBondContact N-O 3.37Å; D166-S178 PolarHBondContact N-O 2.95Å; D166-S178 PolarHBondContact O-N 3.43Å
179L95.9Very high83.9Confident0 Ų073.9 Ų73.90%035%0.35CS..EExtended strand (participates in β ladder)trans-120.7141.3-174.9-57.2179000110.4Q93 I94 I106 V162 R163 V164 I177Q93-L179 CarbonylContact C-O 3.56Å; Q93-L179 VanDerWaalsContact CA-O 3.32Å; Q93-L179 WeakPolarHBondContact CA-O 3.32Å; I94-L179 HydrophobicContact CD1-CD1 4.38Å; I94-L179 HydrophobicContact CG1-CB 3.89Å; I94-L179 HydrophobicContact CG1-CD1 4.49Å; I94-L179 PolarHBondContact N-O 2.9Å; I94-L179 PolarHBondContact O-N 3.27Å; I106-L179 HydrophobicContact CG2-CD1 4.1Å; I106-L179 HydrophobicContact CG2-CD2 3.85Å; V162-L179 HydrophobicContact CG1-CB 4.15Å; V162-L179 HydrophobicContact CG1-CD1 4.07Å; V162-L179 HydrophobicContact CG1-CD2 4.08Å; V162-L179 HydrophobicContact CG1-CG 4.34Å; R163-L179 CarbonylContact O-C 3.57Å; R163-L179 WeakPolarHBondContact O-CA 3.46Å; V164-L179 HydrophobicContact CB-CD2 4.19Å; V164-L179 HydrophobicContact CG1-CD2 4.18Å; V164-L179 HydrophobicContact CG2-CD2 3.79Å; I177-L179 HydrophobicContact CD1-CD1 3.77Å; I177-L179 HydrophobicContact CD1-CD2 4.19Å; I177-L179 HydrophobicContact CD1-CG 4.02Å; I177-L179 HydrophobicContact CG1-CD1 4.42Å; I177-L179 HydrophobicContact CG1-CG 4.24Å
180R94.2Very high82.6Confident9 Ų974.8 Ų74.83%0.03435%0.352CS..EExtended strand (participates in β ladder)trans-101.2124.1163.7-171.5174.1-73.7147.32.1108.7D78 D84 F91 V162 R163 L165 W182D78-R180 IonicContact OD2-CZ 3.1Å; D78-R180 IonicContact OD2-NH1 3.93Å; D78-R180 PolarHBondContact OD2-NH1 3.19Å; D78-R180 IonicContact OD2-NH2 2.78Å; D78-R180 PolarHBondContact OD2-NH2 3.08Å; D84-R180 WeakPolarHBondContact OD2-CD 3.29Å; D84-R180 IonicContact OD2-CZ 3.25Å; D84-R180 IonicContact OD2-NE 2.87Å; D84-R180 IonicContact OD2-NH1 2.78Å; D84-R180 PolarHBondContact OD2-NH1 3.1Å; F91-R180 HydrophobicContact CB-CG 3.63Å; F91-R180 HydrophobicContact CD1-CG 4.39Å; F91-R180 HydrophobicContact CD2-CG 3.49Å; F91-R180 VanDerWaalsContact CD2-CG 3.49Å; F91-R180 HydrophobicContact CE2-CG 4.23Å; F91-R180 HydrophobicContact CG-CG 3.59Å; V162-R180 CarbonylContact C-O 3.59Å; V162-R180 VanDerWaalsContact CA-O 3.31Å; V162-R180 WeakPolarHBondContact CA-O 3.48Å; R163-R180 HydrophobicContact CB-CB 4.34Å; R163-R180 PolarHBondContact N-O 3.47Å; R163-R180 PolarHBondContact O-N 3.22Å; L165-R180 HydrophobicContact CD1-CB 4.04Å; L165-R180 HydrophobicContact CG-CB 4.24Å; R180-W182 HydrophobicContact CB-CH2 4.11Å; R180-W182 HydrophobicContact CB-CZ3 4.07Å; R180-W182 HydrophobicContact CG-CE3 4.43Å; R180-W182 HydrophobicContact CG-CH2 3.51Å; R180-W182 HydrophobicContact CG-CZ2 3.93Å; R180-W182 HydrophobicContact CG-CZ3 3.78Å; R180-W182 WeakPolarHBondContact O-CZ3 3.3Å
181C93.4Very high81.3Confident0 Ų074 Ų740%035%0.348CS..EExtended strand (participates in β ladder)trans-127.2130.7-169.6-56.50000111.4R92 G110R92-C181 PolarHBondContact N-O 3.32Å; R92-C181 PolarHBondContact O-N 3.35Å; G110-C181 WeakPolarHBondContact CA-SG 3.48Å; G110-C181 WeakPolarHBondContact O-CB 3.17Å; G110-C181 PolarHBondContact O-SG 3.36Å
182W90.7Very high80.3Confident11 Ų1171 Ų714%0.04234%0.335CS..EExtended strand (participates in β ladder)trans-105.9105173.2-66.7-98.2000109D84 F87 S88 F91 R161 R163 R180D84-W182 HydrophobicContact CB-CH2 3.86Å; D84-W182 HydrophobicContact CB-CZ2 3.7Å; D84-W182 VanDerWaalsContact CG-CH2 3.45Å; D84-W182 WeakPolarHBondContact OD2-CH2 3.48Å; F87-W182 AromaticContact CD1-CD1 3.8Å; F87-W182 AromaticContact CD1-CD2 3.85Å; F87-W182 HydrophobicContact CD1-CD2 3.85Å; F87-W182 AromaticContact CD1-CE2 3.65Å; F87-W182 AromaticContact CD1-CG 3.9Å; F87-W182 HydrophobicContact CD1-CG 3.9Å; F87-W182 HydrophobicContact CD1-CZ2 4.22Å; F87-W182 AromaticContact CD1-NE1 3.58Å; F87-W182 HydrophobicContact CE1-CB 3.92Å; F87-W182 AromaticContact CE1-CD1 3.79Å; F87-W182 AromaticContact CE1-CD2 3.84Å; F87-W182 HydrophobicContact CE1-CD2 3.84Å; F87-W182 AromaticContact CE1-CG 3.58Å; F87-W182 HydrophobicContact CE1-CG 3.58Å; S88-W182 PolarHBondContact O-NE1 3.47Å; F91-W182 HydrophobicContact CB-CD2 3.97Å; F91-W182 HydrophobicContact CB-CG 4.21Å; F91-W182 HydrophobicContact CB-CZ2 3.97Å; F91-W182 HydrophobicContact CD1-CZ2 4.23Å; F91-W182 HydrophobicContact CG-CZ2 4.35Å; R161-W182 HydrophobicContact CB-CB 4.34Å; R161-W182 HydrophobicContact CB-CD2 4.2Å; R161-W182 HydrophobicContact CB-CE3 3.65Å; R161-W182 HydrophobicContact CB-CZ3 4.29Å; R161-W182 HydrophobicContact CG-CD2 4.43Å; R161-W182 HydrophobicContact CG-CE3 3.58Å; R161-W182 HydrophobicContact CG-CZ3 3.68Å; R161-W182 PolarHBondContact O-N 2.57Å; R163-W182 HydrophobicContact CB-CH2 4.35Å; R163-W182 HydrophobicContact CB-CZ3 4.05Å; R180-W182 HydrophobicContact CB-CH2 4.11Å; R180-W182 HydrophobicContact CB-CZ3 4.07Å; R180-W182 HydrophobicContact CG-CE3 4.43Å; R180-W182 HydrophobicContact CG-CH2 3.51Å; R180-W182 HydrophobicContact CG-CZ2 3.93Å; R180-W182 HydrophobicContact CG-CZ3 3.78Å; R180-W182 WeakPolarHBondContact O-CZ3 3.3Å
183R84.3Confident79.4Confident77 Ų7767.1 Ų67.129%0.29132%0.319SS..  trans-109.9126.1178.8-59.7-175.4-172.2-177.90.5109V109 G110 L111 D112 H185V109-R183 PolarHBondContact O-NH2 2.93Å; G110-R183 VanDerWaalsContact O-CZ 3.29Å; G110-R183 PolarHBondContact O-NE 3.47Å; G110-R183 PolarHBondContact O-NH2 3.34Å; L111-R183 HydrophobicContact CD2-CG 4.44Å; D112-R183 VanDerWaalsContact CB-CZ 3.46Å; D112-R183 IonicContact OD2-NH1 2.93Å; R183-H185 PolarHBondContact O-N 2.72Å
184N72.3Confident78.6Confident77 Ų7767.2 Ų67.241%0.41232%0.324SS..  trans-91.795.1168.8-162.3-12.2000109.5L186 Y187N184-L186 VanDerWaalsContact C-N 3.26Å; N184-L186 PolarHBondContact O-N 2.97Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 2.92Å; N184-Y187 VanDerWaalsContact O-N 3.13Å
185H65.1Low77.5Confident149 Ų14965 Ų6569%0.6933%0.328SS*.Hα-helixtrans-62.3-35.5-178.7-168.2-88000112.1R183 Y187 Y188R183-H185 PolarHBondContact O-N 2.72Å; H185-Y187 PolarHBondContact O-N 3.29Å; H185-Y187 VanDerWaalsContact O-N 3.13Å; H185-Y188 PolarHBondContact O-N 3.48Å; H185-Y188 VanDerWaalsContact O-N 3.12Å
186L59.5Low76.7Confident126 Ų12670.2 Ų70.266%0.6635%0.348SS*.Hα-helixtrans-59.8-24.8177.2-69.6165.1000112.3N184 V189 K190N184-L186 VanDerWaalsContact C-N 3.26Å; N184-L186 PolarHBondContact O-N 2.97Å; L186-V189 PolarHBondContact O-N 3.09Å; L186-K190 PolarHBondContact O-N 3.41Å; L186-K190 VanDerWaalsContact O-N 3.08Å
187Y63.4Low75.8Confident51 Ų5170.7 Ų70.720%0.236%0.358CS..Hα-helixtrans-69.7-35.5177.3-178.7-97000113I151 N184 H185 V189 K190 L191I151-Y187 HydrophobicContact CG2-CD2 4.05Å; I151-Y187 HydrophobicContact CG2-CE2 3.41Å; I151-Y187 VanDerWaalsContact CG2-CE2 3.41Å; N184-Y187 WeakPolarHBondContact O-CB 3.33Å; N184-Y187 PolarHBondContact O-N 2.92Å; N184-Y187 VanDerWaalsContact O-N 3.13Å; H185-Y187 PolarHBondContact O-N 3.29Å; H185-Y187 VanDerWaalsContact O-N 3.13Å; Y187-V189 PolarHBondContact O-N 3.4Å; Y187-K190 CarbonylContact O-C 3.55Å; Y187-K190 PolarHBondContact O-N 3.03Å; Y187-L191 HydrophobicContact CD1-CB 4.26Å; Y187-L191 HydrophobicContact CE1-CB 3.92Å; Y187-L191 HydrophobicContact CE1-CD1 4.17Å; Y187-L191 HydrophobicContact CE1-CD2 3.97Å; Y187-L191 HydrophobicContact CE1-CG 4.24Å; Y187-L191 VanDerWaalsContact O-CB 3.29Å; Y187-L191 WeakPolarHBondContact O-CB 3.29Å; Y187-L191 PolarHBondContact O-N 3.33Å
188Y64.1Low75.3Confident85 Ų8575.2 Ų75.233%0.33339%0.387SS..Hα-helixtrans-63.9-36.4178.1-72.1-87.9000111.3L111 I113 K160 H185 F192L111-Y188 PolarHBondContact O-OH 2.78Å; I113-Y188 WeakPolarHBondContact CG2-OH 3.46Å; K160-Y188 PolarHBondContact NZ-OH 2.78Å; H185-Y188 PolarHBondContact O-N 3.48Å; H185-Y188 VanDerWaalsContact O-N 3.12Å; Y188-F192 VanDerWaalsContact O-CB 3.27Å; Y188-F192 WeakPolarHBondContact O-CB 3.27Å; Y188-F192 PolarHBondContact O-N 2.73Å
189V64.9Low74.7Confident77 Ų7777.6 Ų77.647%0.46740%0.397SS..Hα-helixtrans-64.7-49.1172.9-175.80000110.1L186 Y187 L191 F192 L193L186-V189 PolarHBondContact O-N 3.09Å; Y187-V189 PolarHBondContact O-N 3.4Å; V189-L191 PolarHBondContact O-N 3.07Å; V189-F192 PolarHBondContact O-N 3.42Å; V189-L193 HydrophobicContact CG1-CD1 3.89Å; V189-L193 HydrophobicContact CG1-CG 4.41Å; V189-L193 WeakPolarHBondContact O-CB 3.22Å; V189-L193 VanDerWaalsContact O-CG 3.24Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 3.45Å
190K63.9Low74.1Confident141 Ų14178.3 Ų78.361%0.61340%0.403SS*.Hα-helixtrans-60.5-44.5176.3-74.4-174176.4-176.40112.7L186 Y187 F192 L193 V194L186-K190 PolarHBondContact O-N 3.41Å; L186-K190 VanDerWaalsContact O-N 3.08Å; Y187-K190 CarbonylContact O-C 3.55Å; Y187-K190 PolarHBondContact O-N 3.03Å; K190-F192 VanDerWaalsContact C-N 3.32Å; K190-F192 PolarHBondContact O-N 3.26Å; K190-L193 PolarHBondContact O-N 2.98Å; K190-V194 VanDerWaalsContact O-CB 3.27Å; K190-V194 WeakPolarHBondContact O-CB 3.44Å; K190-V194 VanDerWaalsContact O-CG2 3.26Å; K190-V194 WeakPolarHBondContact O-CG2 3.26Å; K190-V194 PolarHBondContact O-N 3.36Å
191L63.6Low73.7Confident84 Ų8483.6 Ų83.644%0.4443%0.432SS..Hα-helixtrans-64.9-37.1178.3-173.272.5000111.3Y187 V189 G195Y187-L191 HydrophobicContact CD1-CB 4.26Å; Y187-L191 HydrophobicContact CE1-CB 3.92Å; Y187-L191 HydrophobicContact CE1-CD1 4.17Å; Y187-L191 HydrophobicContact CE1-CD2 3.97Å; Y187-L191 HydrophobicContact CE1-CG 4.24Å; Y187-L191 VanDerWaalsContact O-CB 3.29Å; Y187-L191 WeakPolarHBondContact O-CB 3.29Å; Y187-L191 PolarHBondContact O-N 3.33Å; V189-L191 PolarHBondContact O-N 3.07Å; L191-G195 WeakPolarHBondContact O-CA 3.27Å; L191-G195 PolarHBondContact O-N 3.16Å
192F64.6Low73.6Confident92 Ų9289.2 Ų89.240%0.40446%0.456SS..Hα-helixtrans-67-44174.8-170-93.8000111.3Y188 V189 K190 R196 L199Y188-F192 VanDerWaalsContact O-CB 3.27Å; Y188-F192 WeakPolarHBondContact O-CB 3.27Å; Y188-F192 PolarHBondContact O-N 2.73Å; V189-F192 PolarHBondContact O-N 3.42Å; K190-F192 VanDerWaalsContact C-N 3.32Å; K190-F192 PolarHBondContact O-N 3.26Å; F192-R196 PolarHBondContact O-N 2.87Å; F192-L199 HydrophobicContact CE1-CB 4.42Å; F192-L199 HydrophobicContact CZ-CB 4.15Å
193L65.1Low73.4Confident84 Ų8491.2 Ų91.244%0.4447%0.472SS..Hα-helixtrans-67.7-44179.1-68.6172.9000112.8V189 K190 A200V189-L193 HydrophobicContact CG1-CD1 3.89Å; V189-L193 HydrophobicContact CG1-CG 4.41Å; V189-L193 WeakPolarHBondContact O-CB 3.22Å; V189-L193 VanDerWaalsContact O-CG 3.24Å; V189-L193 WeakPolarHBondContact O-CG 3.24Å; V189-L193 PolarHBondContact O-N 3.45Å; K190-L193 PolarHBondContact O-N 2.98Å; L193-A200 HydrophobicContact CD2-CB 3.61Å
194V69.5Low73.6Confident120 Ų12092.2 Ų92.273%0.72748%0.482SS*.Hα-helixtrans-84.1-39.5-176.8176.20000111.8K190 R196K190-V194 VanDerWaalsContact O-CB 3.27Å; K190-V194 WeakPolarHBondContact O-CB 3.44Å; K190-V194 VanDerWaalsContact O-CG2 3.26Å; K190-V194 WeakPolarHBondContact O-CG2 3.26Å; K190-V194 PolarHBondContact O-N 3.36Å; V194-R196 VanDerWaalsContact C-N 3.34Å; V194-R196 PolarHBondContact O-N 3.32Å
195G69.9Low74.7Confident50 Ų5094.4 Ų94.452%0.51549%0.488SS..Hα-helixtrans-74.8-23.6-175.800000113.5L191L191-G195 WeakPolarHBondContact O-CA 3.27Å; L191-G195 PolarHBondContact O-N 3.16Å
196R78.6Confident76Confident149 Ų14991.4 Ų91.456%0.56248%0.477SS*.  trans-141.869.9179.5-59.2-165.9-176.9111-5.4111.8F192 V194 P198 L199 A200F192-R196 PolarHBondContact O-N 2.87Å; V194-R196 VanDerWaalsContact C-N 3.34Å; V194-R196 PolarHBondContact O-N 3.32Å; R196-P198 VanDerWaalsContact C-N 3.33Å; R196-L199 HydrophobicContact CB-CB 4.13Å; R196-L199 HydrophobicContact CB-CD1 3.96Å; R196-L199 HydrophobicContact CB-CG 4.49Å; R196-L199 VanDerWaalsContact CD-CD1 3.44Å; R196-L199 HydrophobicContact CG-CD1 4.32Å; R196-L199 PolarHBondContact O-N 3.07Å; R196-A200 PolarHBondContact O-N 2.93Å; R196-A200 VanDerWaalsContact O-N 3.15Å
197P78.1Confident77.7Confident77 Ų7790.5 Ų90.550%0.547%0.472SS..Hα-helixtrans-49.2-40.2179.116.3-27.4000115.3L199 A200 L201P197-L199 PolarHBondContact O-N 3.16Å; P197-A200 WeakPolarHBondContact O-CB 3.45Å; P197-A200 PolarHBondContact O-N 3.4Å; P197-L201 PolarHBondContact O-N 2.87Å; P197-L201 VanDerWaalsContact O-N 3.16Å
198P85.2Confident79.2Confident95 Ų9593.2 Ų93.262%0.61749%0.49SS*.Hα-helixtrans-65.9-34.5178.725-35.5000113.5R196 F202R196-P198 VanDerWaalsContact C-N 3.33Å; P198-F202 PolarHBondContact O-N 3.15Å; P198-F202 VanDerWaalsContact O-N 3.07Å
199L82.6Confident80.7Confident76 Ų7691.6 Ų91.640%0.39849%0.49SS..Hα-helixtrans-74-32.8177.6-78.6166.4000111.9F192 R196 P197 F202 S203F192-L199 HydrophobicContact CE1-CB 4.42Å; F192-L199 HydrophobicContact CZ-CB 4.15Å; R196-L199 HydrophobicContact CB-CB 4.13Å; R196-L199 HydrophobicContact CB-CD1 3.96Å; R196-L199 HydrophobicContact CB-CG 4.49Å; R196-L199 VanDerWaalsContact CD-CD1 3.44Å; R196-L199 HydrophobicContact CG-CD1 4.32Å; R196-L199 PolarHBondContact O-N 3.07Å; P197-L199 PolarHBondContact O-N 3.16Å; L199-F202 PolarHBondContact O-N 3.5Å; L199-S203 WeakPolarHBondContact O-CB 3.44Å; L199-S203 PolarHBondContact O-N 3.45Å; L199-S203 PolarHBondContact O-OG 3.29Å
200A83.3Confident82.3Confident15 Ų1590.2 Ų90.212%0.12449%0.487CS..Hα-helixtrans-59.5-48.8172.200000111L193 R196 P197 F202 S203 L204L193-A200 HydrophobicContact CD2-CB 3.61Å; R196-A200 PolarHBondContact O-N 2.93Å; R196-A200 VanDerWaalsContact O-N 3.15Å; P197-A200 WeakPolarHBondContact O-CB 3.45Å; P197-A200 PolarHBondContact O-N 3.4Å; A200-F202 VanDerWaalsContact C-N 3.35Å; A200-F202 PolarHBondContact O-N 3.2Å; A200-S203 PolarHBondContact O-N 3.36Å; A200-S203 PolarHBondContact O-OG 3.35Å; A200-L204 PolarHBondContact O-N 3.38Å
201L86.7Confident83.8Confident120 Ų12087 Ų8763%0.62848%0.479SS*.Hα-helixtrans-61-42.1176-67.6175.1000112.3P197 L204 F205P197-L201 PolarHBondContact O-N 2.87Å; P197-L201 VanDerWaalsContact O-N 3.16Å; L201-L204 PolarHBondContact O-N 3.25Å; L201-F205 WeakPolarHBondContact O-CB 3.43Å; L201-F205 PolarHBondContact O-N 3.48Å
202F89.8Confident85.3Confident118 Ų11884.8 Ų84.852%0.51848%0.476SS..Hα-helixtrans-62.2-44.1175.6-177.9-108.3000112.2P198 L199 A200 L204 F205 L206P198-F202 PolarHBondContact O-N 3.15Å; P198-F202 VanDerWaalsContact O-N 3.07Å; L199-F202 PolarHBondContact O-N 3.5Å; A200-F202 VanDerWaalsContact C-N 3.35Å; A200-F202 PolarHBondContact O-N 3.2Å; F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 2.92Å; F202-F205 PolarHBondContact O-N 3.47Å; F202-L206 HydrophobicContact CD1-CD1 3.96Å; F202-L206 HydrophobicContact CD1-CG 4.38Å; F202-L206 HydrophobicContact CE1-CD1 3.39Å; F202-L206 HydrophobicContact CE1-CG 4.02Å; F202-L206 HydrophobicContact CE2-CD2 4.32Å; F202-L206 HydrophobicContact CE2-CG 4.32Å; F202-L206 HydrophobicContact CZ-CD1 3.71Å; F202-L206 HydrophobicContact CZ-CD2 4.06Å; F202-L206 HydrophobicContact CZ-CG 3.98Å; F202-L206 WeakPolarHBondContact O-CG 3.42Å; F202-L206 PolarHBondContact O-N 3.17Å
203S87.1Confident86.7Confident53 Ų5386 Ų8637%0.37149%0.487SS..Hα-helixtrans-63.7-38.3177.471.80000112.6L199 A200 L206 L207L199-S203 WeakPolarHBondContact O-CB 3.44Å; L199-S203 PolarHBondContact O-N 3.45Å; L199-S203 PolarHBondContact O-OG 3.29Å; A200-S203 PolarHBondContact O-N 3.36Å; A200-S203 PolarHBondContact O-OG 3.35Å; S203-L206 PolarHBondContact O-N 2.92Å; S203-L207 PolarHBondContact O-N 3.05Å; S203-L207 VanDerWaalsContact O-N 3.07Å
204L89.4Confident88.1Confident97 Ų9787.2 Ų87.251%0.50849%0.492SS..Hα-helixtrans-65.5-42.5174.7178.964.5000111.2A200 L201 F202 L207 L208A200-L204 PolarHBondContact O-N 3.38Å; L201-L204 PolarHBondContact O-N 3.25Å; F202-L204 VanDerWaalsContact C-N 3.33Å; F202-L204 PolarHBondContact O-N 2.92Å; L204-L207 PolarHBondContact O-N 3.49Å; L204-L208 HydrophobicContact CG-CD1 4.49Å; L204-L208 WeakPolarHBondContact O-CG 3.3Å; L204-L208 PolarHBondContact O-N 3.4Å
205F93.9Very high89.3Confident123 Ų12385.1 Ų85.154%0.53948%0.479SS..Hα-helixtrans-62.6-45.6176.7-179.6-102.6000112L201 F202 L207 L208 C209L201-F205 WeakPolarHBondContact O-CB 3.43Å; L201-F205 PolarHBondContact O-N 3.48Å; F202-F205 PolarHBondContact O-N 3.47Å; F205-L207 VanDerWaalsContact C-N 3.29Å; F205-L207 PolarHBondContact O-N 3.4Å; F205-L208 PolarHBondContact O-N 2.97Å; F205-C209 VanDerWaalsContact CE1-SG 3.56Å; F205-C209 VanDerWaalsContact CZ-SG 3.59Å; F205-C209 PolarHBondContact O-N 3.24Å; F205-C209 PolarHBondContact O-SG 2.89Å; F205-C209 VanDerWaalsContact O-SG 3.4Å
206L93.1Very high90.2Very high87 Ų8787.5 Ų87.546%0.45548%0.48SS..Hα-helixtrans-60.8-38.2175.5-70.4-176.7000112.5F202 S203 C209 A210F202-L206 HydrophobicContact CD1-CD1 3.96Å; F202-L206 HydrophobicContact CD1-CG 4.38Å; F202-L206 HydrophobicContact CE1-CD1 3.39Å; F202-L206 HydrophobicContact CE1-CG 4.02Å; F202-L206 HydrophobicContact CE2-CD2 4.32Å; F202-L206 HydrophobicContact CE2-CG 4.32Å; F202-L206 HydrophobicContact CZ-CD1 3.71Å; F202-L206 HydrophobicContact CZ-CD2 4.06Å; F202-L206 HydrophobicContact CZ-CG 3.98Å; F202-L206 WeakPolarHBondContact O-CG 3.42Å; F202-L206 PolarHBondContact O-N 3.17Å; S203-L206 PolarHBondContact O-N 2.92Å; L206-C209 PolarHBondContact O-N 3Å; L206-A210 WeakPolarHBondContact O-CB 3.42Å; L206-A210 PolarHBondContact O-N 3Å
207L94.3Very high90.6Very high107 Ų10785.7 Ų85.756%0.5648%0.482SS*.Hα-helixtrans-63.5-45.6175.3-165.8163.6000110.8S203 L204 F205 C209 A210 V211S203-L207 PolarHBondContact O-N 3.05Å; S203-L207 VanDerWaalsContact O-N 3.07Å; L204-L207 PolarHBondContact O-N 3.49Å; F205-L207 VanDerWaalsContact C-N 3.29Å; F205-L207 PolarHBondContact O-N 3.4Å; L207-C209 PolarHBondContact O-N 3.31Å; L207-A210 PolarHBondContact O-N 2.92Å; L207-V211 HydrophobicContact CD2-CG2 3.99Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 3.04Å
208L95.9Very high91Very high107 Ų10785.1 Ų85.156%0.5648%0.476SS*.Hα-helixtrans-62.7-40.8175.8-69.6172.9000112.3L204 F205 V211 G212L204-L208 HydrophobicContact CG-CD1 4.49Å; L204-L208 WeakPolarHBondContact O-CG 3.3Å; L204-L208 PolarHBondContact O-N 3.4Å; F205-L208 PolarHBondContact O-N 2.97Å; L208-V211 PolarHBondContact O-N 3.23Å; L208-G212 PolarHBondContact O-N 2.89Å
209C96.2Very high91Very high51 Ų5184.7 Ų84.735%0.34547%0.468SS..Hα-helixtrans-61.6-44173.2-71.60000111.8F205 L206 L207 V211 G212 L213F205-C209 VanDerWaalsContact CE1-SG 3.56Å; F205-C209 VanDerWaalsContact CZ-SG 3.59Å; F205-C209 PolarHBondContact O-N 3.24Å; F205-C209 PolarHBondContact O-SG 2.89Å; F205-C209 VanDerWaalsContact O-SG 3.4Å; L206-C209 PolarHBondContact O-N 3Å; L207-C209 PolarHBondContact O-N 3.31Å; C209-V211 PolarHBondContact O-N 2.86Å; C209-G212 PolarHBondContact O-N 2.69Å; C209-L213 WeakPolarHBondContact O-CG 3.31Å; C209-L213 PolarHBondContact O-N 2.95Å
210A96.7Very high91Very high48 Ų4884.7 Ų84.740%0.39747%0.472SS..Hα-helixtrans-60.7-44.7177.400000111.5L206 L207 G212 L213 I214L206-A210 WeakPolarHBondContact O-CB 3.42Å; L206-A210 PolarHBondContact O-N 3Å; L207-A210 PolarHBondContact O-N 2.92Å; A210-G212 VanDerWaalsContact C-N 3.34Å; A210-G212 PolarHBondContact O-N 2.6Å; A210-L213 PolarHBondContact O-N 3.01Å; A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.4Å; A210-I214 PolarHBondContact O-N 3.41Å
211V95.9Very high90.7Very high73 Ų7390.4 Ų90.444%0.44250%0.5SS..Hα-helixtrans-61.2-43.31741740000111L207 L208 C209 L213 I214 V215L207-V211 HydrophobicContact CD2-CG2 3.99Å; L207-V211 WeakPolarHBondContact O-CG2 3.42Å; L207-V211 PolarHBondContact O-N 3.04Å; L208-V211 PolarHBondContact O-N 3.23Å; C209-V211 PolarHBondContact O-N 2.86Å; V211-L213 PolarHBondContact O-N 2.81Å; V211-I214 PolarHBondContact O-N 2.9Å; V211-V215 HydrophobicContact CG1-CG2 4.37Å; V211-V215 VanDerWaalsContact O-CG2 3.31Å; V211-V215 WeakPolarHBondContact O-CG2 3.41Å; V211-V215 PolarHBondContact O-N 3.38Å
212G94.8Very high90.1Very high38 Ų3891.6 Ų91.639%0.39250%0.5SS..Hα-helixtrans-59.8-42.1177.200000113.4L208 C209 A210 V215 L216L208-G212 PolarHBondContact O-N 2.89Å; C209-G212 PolarHBondContact O-N 2.69Å; A210-G212 VanDerWaalsContact C-N 3.34Å; A210-G212 PolarHBondContact O-N 2.6Å; G212-V215 PolarHBondContact O-N 3.33Å; G212-L216 WeakPolarHBondContact O-CB 2.86Å; G212-L216 PolarHBondContact O-N 3.35Å
213L94.7Very high89.2Confident118 Ų11891.1 Ų91.162%0.61850%0.498SS*.Hα-helixtrans-67-40.4176.4-66.8175.3000112.1C209 A210 V211 V215 L216 D217C209-L213 WeakPolarHBondContact O-CG 3.31Å; C209-L213 PolarHBondContact O-N 2.95Å; A210-L213 PolarHBondContact O-N 3.01Å; V211-L213 PolarHBondContact O-N 2.81Å; L213-V215 VanDerWaalsContact C-N 3.34Å; L213-L216 PolarHBondContact O-N 2.92Å; L213-D217 WeakPolarHBondContact O-CB 3.49Å; L213-D217 PolarHBondContact O-N 2.9Å
214I94.4Very high88Confident109 Ų10991.7 Ų91.756%0.55950%0.5SS*.Hα-helixtrans-63.2-42.4175.1-66.4164.5000110.5A210 V211 D217 V218A210-I214 VanDerWaalsContact O-CG1 3.3Å; A210-I214 WeakPolarHBondContact O-CG1 3.4Å; A210-I214 PolarHBondContact O-N 3.41Å; V211-I214 PolarHBondContact O-N 2.9Å; I214-D217 PolarHBondContact O-N 3.4Å; I214-V218 VanDerWaalsContact O-CG2 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.28Å; I214-V218 PolarHBondContact O-N 3.32Å
215V94.2Very high86.5Confident76 Ų7692 Ų9246%0.46151%0.508SS..Hα-helixtrans-64.3-42.9176.3171.70000111V211 G212 L213 V218 L219V211-V215 HydrophobicContact CG1-CG2 4.37Å; V211-V215 VanDerWaalsContact O-CG2 3.31Å; V211-V215 WeakPolarHBondContact O-CG2 3.41Å; V211-V215 PolarHBondContact O-N 3.38Å; G212-V215 PolarHBondContact O-N 3.33Å; L213-V215 VanDerWaalsContact C-N 3.34Å; V215-V218 PolarHBondContact O-N 3.48Å; V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.32Å; V215-L219 WeakPolarHBondContact O-CB 3.31Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.38Å; V215-L219 PolarHBondContact O-N 3.35Å
216L88.9Confident84.9Confident101 Ų10193.4 Ų93.453%0.52952%0.521SS..Hα-helixtrans-60-46.1176.1-175.474.3000111.4G212 L213 L219 V220G212-L216 WeakPolarHBondContact O-CB 2.86Å; G212-L216 PolarHBondContact O-N 3.35Å; L213-L216 PolarHBondContact O-N 2.92Å; L216-L219 PolarHBondContact O-N 3.18Å; L216-V220 HydrophobicContact CG-CG2 4.41Å; L216-V220 WeakPolarHBondContact O-CG2 3.35Å; L216-V220 PolarHBondContact O-N 3.45Å
217D88Confident83.3Confident111 Ų11193.5 Ų93.559%0.59452%0.523SS*.Hα-helixtrans-58.7-48.2177.1-177.669.7000111.4L213 I214 L219 V220 N221L213-D217 WeakPolarHBondContact O-CB 3.49Å; L213-D217 PolarHBondContact O-N 2.9Å; I214-D217 PolarHBondContact O-N 3.4Å; D217-L219 VanDerWaalsContact C-N 3.3Å; D217-L219 PolarHBondContact O-N 2.88Å; D217-V220 PolarHBondContact O-N 2.75Å; D217-N221 VanDerWaalsContact O-CB 3.31Å; D217-N221 WeakPolarHBondContact O-CB 3.26Å; D217-N221 PolarHBondContact O-N 3.34Å
218V86.8Confident81.7Confident64 Ų6492.9 Ų92.939%0.38853%0.525SS..Hα-helixtrans-60.6-38.9175.31720000111.8I214 V215 K222I214-V218 VanDerWaalsContact O-CG2 3.31Å; I214-V218 WeakPolarHBondContact O-CG2 3.28Å; I214-V218 PolarHBondContact O-N 3.32Å; V215-V218 PolarHBondContact O-N 3.48Å; V218-K222 HydrophobicContact CG1-CD 4.13Å; V218-K222 WeakPolarHBondContact O-CB 3.42Å; V218-K222 VanDerWaalsContact O-CG 3.28Å; V218-K222 WeakPolarHBondContact O-CG 3.31Å; V218-K222 PolarHBondContact O-N 2.91Å
219L83.9Confident80.2Confident86 Ų8692 Ų9245%0.4552%0.52SS..Hα-helixtrans-69.1-44.9178.2-75.4172.6000112.1V215 L216 D217 N221 K222 F223V215-L219 HydrophobicContact CG1-CD1 3.91Å; V215-L219 HydrophobicContact CG1-CG 4.32Å; V215-L219 WeakPolarHBondContact O-CB 3.31Å; V215-L219 VanDerWaalsContact O-CG 3.26Å; V215-L219 WeakPolarHBondContact O-CG 3.38Å; V215-L219 PolarHBondContact O-N 3.35Å; L216-L219 PolarHBondContact O-N 3.18Å; D217-L219 VanDerWaalsContact C-N 3.3Å; D217-L219 PolarHBondContact O-N 2.88Å; L219-N221 VanDerWaalsContact C-N 3.31Å; L219-N221 PolarHBondContact O-N 2.84Å; L219-K222 PolarHBondContact O-N 3.04Å; L219-F223 HydrophobicContact CD2-CD2 4.34Å; L219-F223 HydrophobicContact CD2-CE2 4.32Å; L219-F223 WeakPolarHBondContact O-CB 3.42Å; L219-F223 PolarHBondContact O-N 3.37Å
220V83.1Confident78.8Confident77 Ų7792.8 Ų92.847%0.46752%0.524SS..Hα-helixtrans-65.7-36.9178171.40000111L216 D217 F223 P224L216-V220 HydrophobicContact CG-CG2 4.41Å; L216-V220 WeakPolarHBondContact O-CG2 3.35Å; L216-V220 PolarHBondContact O-N 3.45Å; D217-V220 PolarHBondContact O-N 2.75Å; V220-F223 CarbonylContact O-C 3.59Å; V220-F223 VanDerWaalsContact O-C 3.23Å; V220-P224 WeakPolarHBondContact O-CA 3.38Å; V220-P224 VanDerWaalsContact O-N 3.14Å
221N76.9Confident77.4Confident135 Ų13596.5 Ų96.572%0.72253%0.533SS*.Hα-helixtrans-71.1-33.3177-167.542.3000112.4D217 L219D217-N221 VanDerWaalsContact O-CB 3.31Å; D217-N221 WeakPolarHBondContact O-CB 3.26Å; D217-N221 PolarHBondContact O-N 3.34Å; L219-N221 VanDerWaalsContact C-N 3.31Å; L219-N221 PolarHBondContact O-N 2.84Å
222K74.4Confident76.3Confident145 Ų145100.1 Ų100.163%0.6354%0.543SS*.Hα-helixtrans-79.5-37176.3-76.8-176.1178.1-173.70113.3V218 L219 P224V218-K222 HydrophobicContact CG1-CD 4.13Å; V218-K222 WeakPolarHBondContact O-CB 3.42Å; V218-K222 VanDerWaalsContact O-CG 3.28Å; V218-K222 WeakPolarHBondContact O-CG 3.31Å; V218-K222 PolarHBondContact O-N 2.91Å; L219-K222 PolarHBondContact O-N 3.04Å; K222-P224 WeakPolarHBondContact O-CD 3.16Å
223F70.1Confident75.1Confident107 Ų107103.5 Ų103.547%0.46955%0.548SS..SBendtrans-122.677.3179.3-56.3-79.1000107.3L219 V220L219-F223 HydrophobicContact CD2-CD2 4.34Å; L219-F223 HydrophobicContact CD2-CE2 4.32Å; L219-F223 WeakPolarHBondContact O-CB 3.42Å; L219-F223 PolarHBondContact O-N 3.37Å; V220-F223 CarbonylContact O-C 3.59Å; V220-F223 VanDerWaalsContact O-C 3.23Å
224P61.9Low74.1Confident65 Ų65102.6 Ų102.642%0.42254%0.537SS..  trans-53131.2170.922.8-32000107.2V220 K222 N226 F374V220-P224 WeakPolarHBondContact O-CA 3.38Å; V220-P224 VanDerWaalsContact O-N 3.14Å; K222-P224 WeakPolarHBondContact O-CD 3.16Å; P224-N226 PolarHBondContact O-N 3.39Å; P224-N226 VanDerWaalsContact O-N 3.08Å; P224-F374 HydrophobicContact CG-CE2 4.42Å
225P58.6Low73.2Confident104 Ų104101 Ų10168%0.67553%0.529SS*.  trans-54.7124.218021.6-31.8000108.1N227P225-N227 PolarHBondContact O-N 2.91Å
226N60.3Low72.4Confident152 Ų152101.3 Ų101.381%0.81352%0.524SS*.  trans-53.6109.1174.5-74.1-8.6000107.1P224 P228P224-N226 PolarHBondContact O-N 3.39Å; P224-N226 VanDerWaalsContact O-N 3.08Å; N226-P228 WeakPolarHBondContact O-CD 3.39Å; N226-P228 VanDerWaalsContact O-N 3.15Å
227N59.4Low71.9Confident90 Ų9097.4 Ų97.448%0.48150%0.504SS..  trans-72.2110.2-179.1-170.4-2.3000107P225 D229 V230P225-N227 PolarHBondContact O-N 2.91Å; N227-D229 PolarHBondContact O-N 3.1Å; N227-D229 VanDerWaalsContact O-N 3.11Å; N227-V230 HydrophobicContact CB-CB 4.39Å; N227-V230 HydrophobicContact CB-CG2 3.78Å; N227-V230 WeakPolarHBondContact O-CB 3.22Å; N227-V230 PolarHBondContact O-N 2.71Å
228P60.6Low71.4Confident93 Ų9393.1 Ų93.160%0.60448%0.481SS*.Hα-helixtrans-61.6-25.2-173.826.2-35.4000111.9N226 V230 E231 K232N226-P228 WeakPolarHBondContact O-CD 3.39Å; N226-P228 VanDerWaalsContact O-N 3.15Å; P228-V230 VanDerWaalsContact C-N 3.27Å; P228-V230 PolarHBondContact O-N 3.37Å; P228-E231 PolarHBondContact O-N 3.24Å; P228-K232 PolarHBondContact O-N 2.81Å; P228-K232 VanDerWaalsContact O-N 3.1Å
229D63.6Low70.9Confident88 Ų8896 Ų9647%0.47149%0.493SS..Hα-helixtrans-64.8-33.2175.4-67.9-25.5000112.1N227 K232 H233N227-D229 PolarHBondContact O-N 3.1Å; N227-D229 VanDerWaalsContact O-N 3.11Å; D229-K232 PolarHBondContact O-N 3.38Å; D229-H233 WeakPolarHBondContact O-CB 3.42Å; D229-H233 PolarHBondContact O-N 3.03Å; D229-H233 PolarHBondContact O-ND1 3.2Å; D229-H233 VanDerWaalsContact O-ND1 3.15Å
230V67.3Low70.8Confident69 Ų6995.1 Ų95.142%0.41849%0.487SS..Hα-helixtrans-66.6-48.8178.8175.40000109.6N227 P228 K232 H233 W234N227-V230 HydrophobicContact CB-CB 4.39Å; N227-V230 HydrophobicContact CB-CG2 3.78Å; N227-V230 WeakPolarHBondContact O-CB 3.22Å; N227-V230 PolarHBondContact O-N 2.71Å; P228-V230 VanDerWaalsContact C-N 3.27Å; P228-V230 PolarHBondContact O-N 3.37Å; V230-K232 VanDerWaalsContact C-N 3.35Å; V230-K232 PolarHBondContact O-N 3.47Å; V230-H233 PolarHBondContact O-N 3.04Å; V230-W234 PolarHBondContact O-N 2.98Å
231E68.6Low70.6Confident126 Ų12692.4 Ų92.459%0.58947%0.469SS*.Hα-helixtrans-60.6-43.8177.2-172.8178.9173.600111.8P228 H233 W234 N235P228-E231 PolarHBondContact O-N 3.24Å; E231-H233 PolarHBondContact O-N 2.77Å; E231-W234 PolarHBondContact O-N 3.15Å; E231-N235 WeakPolarHBondContact O-CB 3.34Å; E231-N235 VanDerWaalsContact O-CG 3.24Å; E231-N235 PolarHBondContact O-N 3.4Å; E231-N235 PolarHBondContact O-ND2 3.4Å
232K72Confident70.6Confident149 Ų14988.5 Ų88.565%0.64845%0.453SS*.Hα-helixtrans-61.5-42.9176.3-173.7179179.9-179.90112.4P228 D229 V230 K236P228-K232 PolarHBondContact O-N 2.81Å; P228-K232 VanDerWaalsContact O-N 3.1Å; D229-K232 PolarHBondContact O-N 3.38Å; V230-K232 VanDerWaalsContact C-N 3.35Å; V230-K232 PolarHBondContact O-N 3.47Å; K232-K236 PolarHBondContact O-N 3.02Å; K232-K236 VanDerWaalsContact O-N 3.14Å
233H69.9Low70.8Confident108 Ų10884.7 Ų84.750%0.546%0.455SS..Hα-helixtrans-69.6-39.4178.3-68.3154000112.3D229 V230 E231 K236 L237D229-H233 WeakPolarHBondContact O-CB 3.42Å; D229-H233 PolarHBondContact O-N 3.03Å; D229-H233 PolarHBondContact O-ND1 3.2Å; D229-H233 VanDerWaalsContact O-ND1 3.15Å; V230-H233 PolarHBondContact O-N 3.04Å; E231-H233 PolarHBondContact O-N 2.77Å; H233-K236 PolarHBondContact O-N 2.8Å; H233-L237 WeakPolarHBondContact O-CB 3.5Å; H233-L237 PolarHBondContact O-N 3.25Å
234W72.4Confident71.3Confident100 Ų10081 Ų8138%0.37944%0.44SS..Hα-helixtrans-64.6-45.7174.5-82.4109.6000112.2V230 E231 K236 L237 L238 I284V230-W234 PolarHBondContact O-N 2.98Å; E231-W234 PolarHBondContact O-N 3.15Å; W234-K236 PolarHBondContact O-N 3.09Å; W234-L237 HydrophobicContact CE3-CD2 3.66Å; W234-L237 HydrophobicContact CH2-CD2 4.35Å; W234-L237 HydrophobicContact CZ3-CD2 3.56Å; W234-L237 PolarHBondContact O-N 3.3Å; W234-L238 WeakPolarHBondContact O-CB 3.3Å; W234-L238 WeakPolarHBondContact O-CG 3.44Å; W234-L238 PolarHBondContact O-N 3.31Å; W234-I284 HydrophobicContact CH2-CD1 3.56Å; W234-I284 HydrophobicContact CH2-CG1 4.27Å; W234-I284 HydrophobicContact CZ3-CD1 4.12Å
235N76Confident72.1Confident75 Ų7585.4 Ų85.440%0.40146%0.455SS..Hα-helixtrans-58.8-40.5176.8-73.4-24.2000111.3E231 L239E231-N235 WeakPolarHBondContact O-CB 3.34Å; E231-N235 VanDerWaalsContact O-CG 3.24Å; E231-N235 PolarHBondContact O-N 3.4Å; E231-N235 PolarHBondContact O-ND2 3.4Å; N235-L239 WeakPolarHBondContact O-CB 3.48Å; N235-L239 WeakPolarHBondContact O-CD1 3.35Å; N235-L239 VanDerWaalsContact O-CG 3.24Å; N235-L239 WeakPolarHBondContact O-CG 3.45Å; N235-L239 PolarHBondContact O-N 2.94Å
236K78.2Confident73.2Confident82 Ų8281.7 Ų81.736%0.35743%0.428SS..Hα-helixtrans-65.8-47.9174.6-175.3174.4178.2179.10112.4K232 H233 W234 L238 L239 E240 H312K232-K236 PolarHBondContact O-N 3.02Å; K232-K236 VanDerWaalsContact O-N 3.14Å; H233-K236 PolarHBondContact O-N 2.8Å; W234-K236 PolarHBondContact O-N 3.09Å; K236-L238 VanDerWaalsContact C-N 3.31Å; K236-L238 PolarHBondContact O-N 2.83Å; K236-L239 PolarHBondContact O-N 3.3Å; K236-E240 VanDerWaalsContact O-CG 3.25Å; K236-E240 WeakPolarHBondContact O-CG 3.45Å; K236-E240 PolarHBondContact O-N 2.79Å; K236-H312 WeakPolarHBondContact CE-O 3.44Å
237L77.6Confident74.1Confident20 Ų2078.7 Ų78.711%0.10542%0.418CS..Hα-helixtrans-57.3-45.4177.3167.766000111.3H233 W234 E240 L241 M308 I313 F356H233-L237 WeakPolarHBondContact O-CB 3.5Å; H233-L237 PolarHBondContact O-N 3.25Å; W234-L237 HydrophobicContact CE3-CD2 3.66Å; W234-L237 HydrophobicContact CH2-CD2 4.35Å; W234-L237 HydrophobicContact CZ3-CD2 3.56Å; W234-L237 PolarHBondContact O-N 3.3Å; L237-E240 PolarHBondContact O-N 2.96Å; L237-L241 HydrophobicContact CD1-CD1 3.9Å; L237-L241 HydrophobicContact CD1-CG 4.11Å; L237-L241 HydrophobicContact CG-CD1 3.84Å; L237-L241 HydrophobicContact CG-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.49Å; L237-M308 HydrophobicContact CD1-CE 4.16Å; L237-I313 HydrophobicContact CD1-CG2 3.42Å; L237-I313 VanDerWaalsContact CD1-CG2 3.42Å; L237-F356 HydrophobicContact CD1-CE1 4.3Å
238L77Confident75.1Confident20 Ų2078.4 Ų78.411%0.10542%0.416CS..Hα-helixtrans-68.4-37-178.1-68.1167.1000112.3W234 K236 L241 S242 L286 Y389W234-L238 WeakPolarHBondContact O-CB 3.3Å; W234-L238 WeakPolarHBondContact O-CG 3.44Å; W234-L238 PolarHBondContact O-N 3.31Å; K236-L238 VanDerWaalsContact C-N 3.31Å; K236-L238 PolarHBondContact O-N 2.83Å; L238-L241 HydrophobicContact CD2-CD1 4.21Å; L238-L241 PolarHBondContact O-N 3.28Å; L238-S242 PolarHBondContact O-N 3.45Å; L238-L286 HydrophobicContact CD2-CD2 4.45Å; L238-Y389 HydrophobicContact CB-CD1 4.27Å; L238-Y389 HydrophobicContact CB-CE1 3.96Å; L238-Y389 HydrophobicContact CD1-CE1 4.05Å; L238-Y389 HydrophobicContact CD1-CE2 4.16Å; L238-Y389 HydrophobicContact CG-CE1 4.47Å
239L77.5Confident75.8Confident124 Ų12477 Ų7765%0.64940%0.402SS*.Hα-helixtrans-61.6-44.3171.8-76.8166.8000111.6N235 K236 S242 G243N235-L239 WeakPolarHBondContact O-CB 3.48Å; N235-L239 WeakPolarHBondContact O-CD1 3.35Å; N235-L239 VanDerWaalsContact O-CG 3.24Å; N235-L239 WeakPolarHBondContact O-CG 3.45Å; N235-L239 PolarHBondContact O-N 2.94Å; K236-L239 PolarHBondContact O-N 3.3Å; L239-S242 PolarHBondContact O-N 3.05Å; L239-S242 PolarHBondContact O-OG 3.41Å; L239-G243 PolarHBondContact O-N 3.44Å
240E81.5Confident75.9Confident69 Ų6977.7 Ų77.732%0.32241%0.406SS..Hα-helixtrans-69.5-37.3179.4-65.2-87.4-179.600111.4K236 L237 S242 G243 L244 H312K236-E240 VanDerWaalsContact O-CG 3.25Å; K236-E240 WeakPolarHBondContact O-CG 3.45Å; K236-E240 PolarHBondContact O-N 2.79Å; L237-E240 PolarHBondContact O-N 2.96Å; E240-S242 VanDerWaalsContact C-N 3.29Å; E240-S242 PolarHBondContact O-N 3.02Å; E240-G243 PolarHBondContact O-N 2.99Å; E240-L244 WeakPolarHBondContact O-CD1 3.34Å; E240-L244 PolarHBondContact O-N 3.14Å; E240-H312 HydrophobicContact CB-CB 4.24Å; E240-H312 HydrophobicContact CG-CB 4.27Å; E240-H312 WeakPolarHBondContact CG-O 3.35Å; E240-H312 IonicContact OE2-CD2 2.7Å; E240-H312 PolarHBondContact OE2-CD2 2.93Å; E240-H312 IonicContact OE2-CG 2.75Å
241L79.4Confident75.4Confident19 Ų1975.8 Ų75.810%0.09940%0.396CS..Hα-helixtrans-58.6-37.8170.8-78.1168.5000113.1L237 L238 G243 L244 I326 F356L237-L241 HydrophobicContact CD1-CD1 3.9Å; L237-L241 HydrophobicContact CD1-CG 4.11Å; L237-L241 HydrophobicContact CG-CD1 3.84Å; L237-L241 HydrophobicContact CG-CG 4.45Å; L237-L241 WeakPolarHBondContact O-CB 3.28Å; L237-L241 VanDerWaalsContact O-CG 3.28Å; L237-L241 WeakPolarHBondContact O-CG 3.46Å; L237-L241 PolarHBondContact O-N 3.49Å; L238-L241 HydrophobicContact CD2-CD1 4.21Å; L238-L241 PolarHBondContact O-N 3.28Å; L241-G243 VanDerWaalsContact C-N 3.26Å; L241-G243 PolarHBondContact O-N 3.31Å; L241-L244 HydrophobicContact CD2-CD1 4.05Å; L241-L244 PolarHBondContact O-N 3.44Å; L241-I326 HydrophobicContact CD2-CD1 3.3Å; L241-I326 HydrophobicContact CD2-CG1 4.14Å; L241-I326 HydrophobicContact CD2-CG2 4.31Å; L241-F356 HydrophobicContact CD1-CE1 4.07Å; L241-F356 HydrophobicContact CD1-CZ 3.8Å; L241-F356 HydrophobicContact CD2-CE1 4.03Å; L241-F356 HydrophobicContact CD2-CZ 4.27Å
242S77Confident74.9Confident53 Ų5375.2 Ų75.237%0.37141%0.406SS..Hα-helixtrans-70.5-21.6178.772.20000113.9L238 L239 E240L238-S242 PolarHBondContact O-N 3.45Å; L239-S242 PolarHBondContact O-N 3.05Å; L239-S242 PolarHBondContact O-OG 3.41Å; E240-S242 VanDerWaalsContact C-N 3.29Å; E240-S242 PolarHBondContact O-N 3.02Å
243G77.5Confident74Confident65 Ų6571.7 Ų71.767%0.6739%0.394SS*.THydrogen-bonded Turntrans-98.13.3177.800000114.5L239 E240 L241L239-G243 PolarHBondContact O-N 3.44Å; E240-G243 PolarHBondContact O-N 2.99Å; L241-G243 VanDerWaalsContact C-N 3.26Å; L241-G243 PolarHBondContact O-N 3.31Å
244L80.2Confident73.1Confident31 Ų3166.6 Ų66.616%0.16237%0.371CS..  trans-82.3131.9179.3-88.8149.8000110.8E240 L241 F246 A306 K307 M308 I326E240-L244 WeakPolarHBondContact O-CD1 3.34Å; E240-L244 PolarHBondContact O-N 3.14Å; L241-L244 HydrophobicContact CD2-CD1 4.05Å; L241-L244 PolarHBondContact O-N 3.44Å; L244-F246 HydrophobicContact CB-CE2 4.26Å; L244-F246 HydrophobicContact CB-CZ 4.34Å; L244-F246 VanDerWaalsContact O-CD2 3.28Å; L244-F246 WeakPolarHBondContact O-CD2 3.48Å; L244-F246 VanDerWaalsContact O-CE2 3.3Å; L244-F246 WeakPolarHBondContact O-CE2 3.4Å; L244-A306 HydrophobicContact CB-CB 4.35Å; L244-A306 HydrophobicContact CD2-CB 4.18Å; L244-K307 WeakPolarHBondContact CD2-O 3.32Å; L244-M308 HydrophobicContact CD1-CB 4.03Å; L244-M308 HydrophobicContact CD2-CB 4.08Å; L244-I326 HydrophobicContact CD1-CD1 3.69Å
245E80.3Confident72.2Confident157 Ų15769.6 Ų69.673%0.73438%0.382SS*.  trans-78.9133168.7-68173.6-172.300109.6A306E245-A306 WeakPolarHBondContact O-CB 3.49Å
246F81.9Confident71Confident25 Ų2571.2 Ų71.211%0.1139%0.39CS..  trans-106.2127.8-178.6-70-87.4000110.8L244 L304 A306 I326 F328 V391L244-F246 HydrophobicContact CB-CE2 4.26Å; L244-F246 HydrophobicContact CB-CZ 4.34Å; L244-F246 VanDerWaalsContact O-CD2 3.28Å; L244-F246 WeakPolarHBondContact O-CD2 3.48Å; L244-F246 VanDerWaalsContact O-CE2 3.3Å; L244-F246 WeakPolarHBondContact O-CE2 3.4Å; F246-L304 HydrophobicContact CB-CB 4.09Å; F246-L304 HydrophobicContact CB-CD2 3.85Å; F246-L304 HydrophobicContact CB-CG 4.42Å; F246-L304 HydrophobicContact CD1-CB 4.06Å; F246-L304 HydrophobicContact CG-CB 4.31Å; F246-L304 HydrophobicContact CG-CD2 4.26Å; F246-A306 HydrophobicContact CD1-CB 3.45Å; F246-A306 VanDerWaalsContact CD1-CB 3.45Å; F246-A306 HydrophobicContact CE1-CB 3.45Å; F246-A306 VanDerWaalsContact CE1-CB 3.45Å; F246-A306 HydrophobicContact CG-CB 4.13Å; F246-A306 HydrophobicContact CZ-CB 4.17Å; F246-I326 HydrophobicContact CE1-CG2 4.26Å; F246-F328 AromaticContact CD1-CE1 3.75Å; F246-F328 HydrophobicContact CD1-CE1 3.75Å; F246-F328 HydrophobicContact CD1-CZ 4.49Å; F246-F328 HydrophobicContact CE1-CD1 4.13Å; F246-F328 AromaticContact CE1-CE1 3.46Å; F246-F328 HydrophobicContact CE1-CE1 3.46Å; F246-F328 VanDerWaalsContact CE1-CE1 3.46Å; F246-F328 HydrophobicContact CE1-CZ 4.46Å; F246-F328 HydrophobicContact CE2-CE1 4.39Å; F246-F328 HydrophobicContact CG-CE1 4.37Å; F246-F328 AromaticContact CZ-CE1 3.81Å; F246-F328 HydrophobicContact CZ-CE1 3.81Å; F246-V391 HydrophobicContact CD2-CG1 3.66Å; F246-V391 HydrophobicContact CE2-CG1 3.62Å; F246-V391 HydrophobicContact CE2-CG2 4.48Å
247C78.4Confident69.5Low90 Ų9070.8 Ų70.861%0.60839%0.39SS*.EExtended strand (participates in β ladder)trans-74.4128.6167.7-58.50000109.6L304 I305C247-L304 WeakPolarHBondContact O-CA 3.3Å; C247-I305 WeakPolarHBondContact CB-O 3.45Å; C247-I305 PolarHBondContact N-O 2.98Å; C247-I305 PolarHBondContact O-N 2.94Å
248I79.7Confident68.3Low83 Ų8371.9 Ų71.943%0.42640%0.402SS..EExtended strand (participates in β ladder)trans-92.8116.8178.6-59.7172.6000108.9Y302I248-Y302 HydrophobicContact CG2-CD1 3.34Å; I248-Y302 HydrophobicContact CG2-CE1 3.99Å; I248-Y302 HydrophobicContact CG2-CG 4.13Å
249I75.2Confident67.2Low64 Ų6477 Ų7733%0.32843%0.425SS..EExtended strand (participates in β ladder)trans-96.7107.7167-57.2-173.1000108.5L270 L303 I305I249-L270 HydrophobicContact CD1-CD1 4.34Å; I249-L303 HydrophobicContact CB-CB 4.43Å; I249-L303 PolarHBondContact N-O 3.39Å; I249-L303 PolarHBondContact O-N 3.49Å; I249-I305 HydrophobicContact CD1-CD1 3.41Å; I249-I305 VanDerWaalsContact CD1-CD1 3.41Å; I249-I305 HydrophobicContact CG1-CD1 4.19Å
250N67.1Low65.8Low102 Ų10273.7 Ų73.755%0.54541%0.413SS..EExtended strand (participates in β ladder)trans-81.4115.6168.6-176.87000109.1M300N250-M300 WeakPolarHBondContact ND2-CE 3.47Å
251S56.7Low64.3Low30 Ų3080.9 Ų80.921%0.2144%0.439CS..  trans-152.1133.3176.6175.80000110.4N253 A254S251-N253 PolarHBondContact O-N 2.8Å; S251-N253 WeakPolarHBondContact OG-CA 3.45Å; S251-N253 WeakPolarHBondContact OG-CB 3.45Å; S251-N253 PolarHBondContact OG-N 3.01Å; S251-A254 WeakPolarHBondContact O-CB 3.18Å; S251-A254 PolarHBondContact O-N 3.22Å
252S57.1Low62.7Low113 Ų11381.7 Ų81.779%0.7945%0.448SS*.THydrogen-bonded Turntrans-54.2-21.4165.153.20000112.5
253N52.7Low61.5Low75 Ų7581.1 Ų81.140%0.40144%0.444SS..THydrogen-bonded Turntrans-99.67179.6-60.3-15.4000113.2S251 R255 L256 M257S251-N253 PolarHBondContact O-N 2.8Å; S251-N253 WeakPolarHBondContact OG-CA 3.45Å; S251-N253 WeakPolarHBondContact OG-CB 3.45Å; S251-N253 PolarHBondContact OG-N 3.01Å; N253-R255 PolarHBondContact O-N 2.93Å; N253-L256 HydrophobicContact CB-CB 4.34Å; N253-L256 HydrophobicContact CB-CD1 4.4Å; N253-L256 CarbonylContact O-C 3.56Å; N253-L256 PolarHBondContact O-N 2.75Å; N253-M257 WeakPolarHBondContact O-CG 3.45Å; N253-M257 PolarHBondContact O-N 2.87Å
254A52.6Low60.1Low2 Ų280.2 Ų80.22%0.01743%0.431CS..Hα-helixtrans-55.1-38.9179.200000112.1S251 M257 A258 L303 L329S251-A254 WeakPolarHBondContact O-CB 3.18Å; S251-A254 PolarHBondContact O-N 3.22Å; A254-M257 PolarHBondContact O-N 2.87Å; A254-A258 PolarHBondContact O-N 3.08Å; A254-A258 VanDerWaalsContact O-N 3.14Å; A254-L303 HydrophobicContact CB-CB 4.35Å; A254-L329 HydrophobicContact CB-CD1 4.36Å
255R52.2Low58.6Low163 Ų16385 Ų8562%0.61545%0.452SS*.Hα-helixtrans-65.8-45.2173.3-170.8173.5-178.5155.21.4112.8N253 M257 A258 E259N253-R255 PolarHBondContact O-N 2.93Å; R255-M257 VanDerWaalsContact C-N 3.31Å; R255-M257 PolarHBondContact O-N 3.13Å; R255-A258 PolarHBondContact O-N 3.08Å; R255-E259 WeakPolarHBondContact CG-OE1 3.33Å; R255-E259 IonicContact CZ-OE1 2.75Å; R255-E259 IonicContact NE-OE1 3.65Å; R255-E259 PolarHBondContact NE-OE1 2.89Å; R255-E259 IonicContact NH2-OE1 3.38Å; R255-E259 WeakPolarHBondContact O-CG 3.49Å; R255-E259 PolarHBondContact O-N 3.15Å
256L51.4Low57.2Low109 Ų10979.7 Ų79.757%0.57143%0.43SS*.Hα-helixtrans-64.9-34177.4-67.8173.4000112.2N253 S260N253-L256 HydrophobicContact CB-CB 4.34Å; N253-L256 HydrophobicContact CB-CD1 4.4Å; N253-L256 CarbonylContact O-C 3.56Å; N253-L256 PolarHBondContact O-N 2.75Å; L256-S260 WeakPolarHBondContact O-CB 3.46Å; L256-S260 PolarHBondContact O-N 2.8Å
257M47.3Very low55.8Low72 Ų7279.2 Ų79.236%0.35543%0.428SS..Hα-helixtrans-71.7-34.2177.1-69.8-141.7175.300112.6N253 A254 R255 S260 S263 V266N253-M257 WeakPolarHBondContact O-CG 3.45Å; N253-M257 PolarHBondContact O-N 2.87Å; A254-M257 PolarHBondContact O-N 2.87Å; R255-M257 VanDerWaalsContact C-N 3.31Å; R255-M257 PolarHBondContact O-N 3.13Å; M257-S260 VanDerWaalsContact O-O 3.13Å; M257-S263 WeakPolarHBondContact O-CB 3.36Å; M257-S263 PolarHBondContact O-N 2.82Å; M257-S263 PolarHBondContact O-OG 3.48Å; M257-V266 HydrophobicContact CE-CG2 4.49Å; M257-V266 HydrophobicContact SD-CB 4.45Å; M257-V266 HydrophobicContact SD-CG1 4Å; M257-V266 HydrophobicContact SD-CG2 4.02Å
258A51.4Low54.4Low43 Ų4379.8 Ų79.836%0.35542%0.418SS..Hα-helixtrans-79.9-39.3178.700000113.2A254 R255 S260 L329A254-A258 PolarHBondContact O-N 3.08Å; A254-A258 VanDerWaalsContact O-N 3.14Å; R255-A258 PolarHBondContact O-N 3.08Å; A258-S260 VanDerWaalsContact C-N 3.26Å; A258-S260 PolarHBondContact O-N 2.88Å; A258-L329 HydrophobicContact CB-CD1 4.38Å
259E53.3Low52.9Low127 Ų12785.8 Ų85.859%0.59344%0.435SS*.Hα-helixtrans-70.5-23.9177.2-72.5175.2-173.500112.1R255R255-E259 WeakPolarHBondContact CG-OE1 3.33Å; R255-E259 IonicContact CZ-OE1 2.75Å; R255-E259 IonicContact NE-OE1 3.65Å; R255-E259 PolarHBondContact NE-OE1 2.89Å; R255-E259 IonicContact NH2-OE1 3.38Å; R255-E259 WeakPolarHBondContact O-CG 3.49Å; R255-E259 PolarHBondContact O-N 3.15Å
260S49Very low51.8Low56 Ų5686.9 Ų86.939%0.39244%0.441SS..SBendtrans-83.8130.4171.7-165.80000110.4L256 M257 A258 A262 S263L256-S260 WeakPolarHBondContact O-CB 3.46Å; L256-S260 PolarHBondContact O-N 2.8Å; M257-S260 VanDerWaalsContact O-O 3.13Å; A258-S260 VanDerWaalsContact C-N 3.26Å; A258-S260 PolarHBondContact O-N 2.88Å; S260-A262 PolarHBondContact O-N 2.85Å; S260-A262 WeakPolarHBondContact OG-CB 3.36Å; S260-A262 PolarHBondContact OG-N 2.79Å; S260-S263 PolarHBondContact O-N 2.94Å; S260-S263 PolarHBondContact O-OG 2.84Å; S260-S263 VanDerWaalsContact O-OG 3.05Å
261Y50.1Low51.1Low219 Ų21984.3 Ų84.386%0.85943%0.428SS*.THydrogen-bonded Turntrans-49.1-11.8160.7-71.9-90.5000112.8S263Y261-S263 VanDerWaalsContact C-N 3.29Å; Y261-S263 PolarHBondContact O-N 3.08Å
262A46.6Very low50.6Low37 Ų3790.1 Ų90.131%0.30646%0.456SS..THydrogen-bonded Turntrans-66.6-12.417100000115.8S260 A264 H265 V266S260-A262 PolarHBondContact O-N 2.85Å; S260-A262 WeakPolarHBondContact OG-CB 3.36Å; S260-A262 PolarHBondContact OG-N 2.79Å; A262-A264 PolarHBondContact O-N 3.37Å; A262-H265 CarbonylContact O-C 3.55Å; A262-H265 WeakPolarHBondContact O-CA 3.35Å; A262-H265 WeakPolarHBondContact O-CB 3.43Å; A262-H265 PolarHBondContact O-N 3.34Å; A262-V266 WeakPolarHBondContact O-CG2 3.39Å; A262-V266 PolarHBondContact O-N 3.21Å
263S50.1Low50.1Low40 Ų4093.7 Ų93.728%0.2846%0.463SS..Hα-helixtrans-55.9-37.7171330000111.9M257 S260 Y261 H265 V266 L267M257-S263 WeakPolarHBondContact O-CB 3.36Å; M257-S263 PolarHBondContact O-N 2.82Å; M257-S263 PolarHBondContact O-OG 3.48Å; S260-S263 PolarHBondContact O-N 2.94Å; S260-S263 PolarHBondContact O-OG 2.84Å; S260-S263 VanDerWaalsContact O-OG 3.05Å; Y261-S263 VanDerWaalsContact C-N 3.29Å; Y261-S263 PolarHBondContact O-N 3.08Å; S263-H265 VanDerWaalsContact C-N 3.32Å; S263-H265 PolarHBondContact O-N 2.98Å; S263-V266 PolarHBondContact O-N 2.97Å; S263-L267 WeakPolarHBondContact O-CG 3.39Å; S263-L267 PolarHBondContact O-N 3.46Å
264A49.8Very low49.8Very low47 Ų4798.9 Ų98.939%0.38848%0.484SS..Hα-helixtrans-61.8-39.1171.800000112.2A262 R268A262-A264 PolarHBondContact O-N 3.37Å; A264-R268 WeakPolarHBondContact O-CB 3.44Å; A264-R268 PolarHBondContact O-N 3.3Å
265H48.1Very low49.8Very low132 Ų132102.2 Ų102.261%0.61151%0.508SS*.Hα-helixtrans-71.8-33.9175.9-85.4-78.1000113.5A262 S263 R268 R269A262-H265 CarbonylContact O-C 3.55Å; A262-H265 WeakPolarHBondContact O-CA 3.35Å; A262-H265 WeakPolarHBondContact O-CB 3.43Å; A262-H265 PolarHBondContact O-N 3.34Å; S263-H265 VanDerWaalsContact C-N 3.32Å; S263-H265 PolarHBondContact O-N 2.98Å; H265-R268 WeakPolarHBondContact O-CB 3.49Å; H265-R268 PolarHBondContact O-N 3.25Å; H265-R269 PolarHBondContact O-N 3.48Å; H265-R269 VanDerWaalsContact O-N 3.15Å
266V51.5Low49.8Very low44 Ų44102.1 Ų102.127%0.26752%0.52SS..Hα-helixtrans-71.8-42.9176.9174.90000110.4M257 A262 S263 R268 R269 L270M257-V266 HydrophobicContact CE-CG2 4.49Å; M257-V266 HydrophobicContact SD-CB 4.45Å; M257-V266 HydrophobicContact SD-CG1 4Å; M257-V266 HydrophobicContact SD-CG2 4.02Å; A262-V266 WeakPolarHBondContact O-CG2 3.39Å; A262-V266 PolarHBondContact O-N 3.21Å; S263-V266 PolarHBondContact O-N 2.97Å; V266-R268 VanDerWaalsContact C-N 3.27Å; V266-R268 PolarHBondContact O-N 2.98Å; V266-R269 WeakPolarHBondContact O-CA 3.34Å; V266-R269 WeakPolarHBondContact O-CB 3.07Å; V266-R269 PolarHBondContact O-N 2.86Å; V266-L270 PolarHBondContact O-N 3.5Å; V266-L270 VanDerWaalsContact O-N 3.08Å
267L51.6Low50.3Low15 Ų15100.9 Ų100.98%0.07951%0.514CS..Hα-helixtrans-59.4-39.6170.3-72.3174.4000111.4S263 R269 L270 D271 I305 T357S263-L267 WeakPolarHBondContact O-CG 3.39Å; S263-L267 PolarHBondContact O-N 3.46Å; L267-R269 PolarHBondContact O-N 3.14Å; L267-L270 HydrophobicContact CD2-CD1 4.41Å; L267-L270 PolarHBondContact O-N 2.82Å; L267-L270 VanDerWaalsContact O-N 3.08Å; L267-D271 PolarHBondContact O-N 3.33Å; L267-D271 VanDerWaalsContact O-N 3.13Å; L267-I305 HydrophobicContact CD2-CD1 3.87Å; L267-I305 HydrophobicContact CD2-CG1 4.41Å; L267-I305 HydrophobicContact CD2-CG2 4Å; L267-T357 HydrophobicContact CD1-CG2 4.2Å
268R48.9Very low51.5Low102 Ų102103.7 Ų103.739%0.38553%0.527SS..Hα-helixtrans-62-21.7173.7-160.1-178.5178.694.7-1.1113.4A264 H265 V266 D276 N277A264-R268 WeakPolarHBondContact O-CB 3.44Å; A264-R268 PolarHBondContact O-N 3.3Å; H265-R268 WeakPolarHBondContact O-CB 3.49Å; H265-R268 PolarHBondContact O-N 3.25Å; V266-R268 VanDerWaalsContact C-N 3.27Å; V266-R268 PolarHBondContact O-N 2.98Å; R268-D276 IonicContact NH2-OD1 3.75Å; R268-N277 PolarHBondContact NH1-O 2.83Å
269R49.3Very low52.4Low209 Ų209105.6 Ų105.679%0.78953%0.53SS*.Hα-helixtrans-92-18.8176.1-164.2176.4-78.1145.7-5.3112.7H265 V266 L267H265-R269 PolarHBondContact O-N 3.48Å; H265-R269 VanDerWaalsContact O-N 3.15Å; V266-R269 WeakPolarHBondContact O-CA 3.34Å; V266-R269 WeakPolarHBondContact O-CB 3.07Å; V266-R269 PolarHBondContact O-N 2.86Å; L267-R269 PolarHBondContact O-N 3.14Å
270L51.2Low53.5Low88 Ų88100.5 Ų100.546%0.46151%0.507SS..Hα-helixtrans-86-21.1174.2-69.5177.2000113.3I249 V266 L267 I305I249-L270 HydrophobicContact CD1-CD1 4.34Å; V266-L270 PolarHBondContact O-N 3.5Å; V266-L270 VanDerWaalsContact O-N 3.08Å; L267-L270 HydrophobicContact CD2-CD1 4.41Å; L267-L270 PolarHBondContact O-N 2.82Å; L267-L270 VanDerWaalsContact O-N 3.08Å; L270-I305 HydrophobicContact CD1-CD1 4.15Å
271D53.1Low54.8Low48 Ų48101.2 Ų101.226%0.25751%0.512SS..SBendtrans-88.1120.3161.9-87.9-28.1000108.1L267 K307 N325L267-D271 PolarHBondContact O-N 3.33Å; L267-D271 VanDerWaalsContact O-N 3.13Å; D271-K307 IonicContact OD1-NZ 3.86Å; D271-K307 PolarHBondContact OD1-NZ 3.08Å; D271-N325 PolarHBondContact OD2-ND2 3.27Å
272D44.7Very low56.1Low151 Ų15192.9 Ų92.981%0.80748%0.481SS*.  trans-46.9150.4-178.7-65.7-59.5000113.5E274D272-E274 VanDerWaalsContact C-N 3.33Å; D272-E274 PolarHBondContact O-N 3.2Å
273M46.8Very low57.7Low189 Ų18994.5 Ų94.593%0.93149%0.494SS*.SBendtrans-55.674-175.2-56.8-147.782.800115.1
274E48Very low59.1Low183 Ų18394.8 Ų94.886%0.85549%0.492SS*.  trans-169.488.8161-125.6169.4156.300112.2D272D272-E274 VanDerWaalsContact C-N 3.33Å; D272-E274 PolarHBondContact O-N 3.2Å
275S51.2Low60.4Low73 Ų7397.7 Ų97.751%0.5150%0.501SS..  trans170.5130.9133.8490000110.4N277S275-N277 WeakPolarHBondContact CB-ND2 3.24Å; S275-N277 PolarHBondContact O-N 3Å; S275-N277 PolarHBondContact OG-ND2 3.02Å; S275-N277 VanDerWaalsContact OG-ND2 3.1Å
276D53.5Low62Low161 Ų16192.3 Ų92.386%0.86148%0.477SS*.  trans-72.526.8172.4-135.35.7000112.2R268 M278R268-D276 IonicContact NH2-OD1 3.75Å; D276-M278 PolarHBondContact O-N 3.33Å
277N61.1Low63.4Low83 Ų8392.2 Ų92.244%0.44448%0.477SS..  trans-70.4127.6-177.3-70-20.8000108.6R268 S275 I279 T359R268-N277 PolarHBondContact NH1-O 2.83Å; S275-N277 WeakPolarHBondContact CB-ND2 3.24Å; S275-N277 PolarHBondContact O-N 3Å; S275-N277 PolarHBondContact OG-ND2 3.02Å; S275-N277 VanDerWaalsContact OG-ND2 3.1Å; N277-I279 PolarHBondContact O-N 3Å; N277-T359 HydrophobicContact CB-CG2 4.44Å
278M71.8Confident64.8Low131 Ų13192 Ų9265%0.64548%0.476SS*.  trans-56.2129.2166.8-175.9171.9177.400107.8D276 P360D276-M278 PolarHBondContact O-N 3.33Å; M278-P360 HydrophobicContact CB-CG 4.29Å; M278-P360 WeakPolarHBondContact O-CD 3.23Å
279I71.7Confident66.3Low82 Ų8287.6 Ų87.642%0.42146%0.46SS..  trans-115134.5177.1-62.3170.7000106.7N277 A358N277-I279 PolarHBondContact O-N 3Å; I279-A358 WeakPolarHBondContact CA-O 3.37Å
280I75.6Confident67.6Low20 Ų2077.8 Ų77.810%0.10342%0.423CS..EExtended strand (participates in β ladder)trans-108.7136.5176.5-61.2-175.8000108.4H282 T357 A358 P360 F363 P365I280-H282 WeakPolarHBondContact CG2-NE2 3.09Å; I280-T357 WeakPolarHBondContact O-CA 3.42Å; I280-A358 PolarHBondContact N-O 3.2Å; I280-A358 PolarHBondContact O-N 3.15Å; I280-A358 VanDerWaalsContact O-N 3.09Å; I280-P360 HydrophobicContact CD1-CB 3.7Å; I280-P360 HydrophobicContact CG1-CB 4.36Å; I280-F363 WeakPolarHBondContact CD1-O 3.39Å; I280-P365 HydrophobicContact CD1-CB 3.74Å; I280-P365 HydrophobicContact CD1-CG 4.11Å
281S75.8Confident68.9Low71 Ų7178 Ų7850%0.49742%0.418SS..EExtended strand (participates in β ladder)trans-110.5127176.158.20000110.8F356S281-F356 CarbonylContact C-O 3.57Å; S281-F356 VanDerWaalsContact CA-O 3.28Å; S281-F356 WeakPolarHBondContact CA-O 3.42Å
282H78.2Confident69.9Low45 Ų4576 Ų7621%0.20841%0.408CS..EExtended strand (participates in β ladder)trans-117.6131.5170.8-70.9-68.8000109.9I280 T355 F356 F363I280-H282 WeakPolarHBondContact CG2-NE2 3.09Å; H282-T355 CarbonylContact O-C 3.56Å; H282-T355 WeakPolarHBondContact O-CA 3.49Å; H282-F356 PolarHBondContact N-O 2.99Å; H282-F356 PolarHBondContact O-N 3.26Å; H282-F363 AromaticContact CD2-CG 3.87Å
283A79.1Confident71.2Confident70 Ų7071.8 Ų71.858%0.57939%0.386SS*.EExtended strand (participates in β ladder)trans-108.2128.8175.100000109.7V354A283-V354 WeakPolarHBondContact CA-O 3.48Å
284I79.8Confident72.3Confident47 Ų4770.8 Ų70.824%0.24138%0.379CS..EExtended strand (participates in β ladder)trans-122.9131.5179.1-62.1144.7000108.2W234 L286 C353 V354 F356W234-I284 HydrophobicContact CH2-CD1 3.56Å; W234-I284 HydrophobicContact CH2-CG1 4.27Å; W234-I284 HydrophobicContact CZ3-CD1 4.12Å; I284-L286 HydrophobicContact CG2-CD2 3.94Å; I284-L286 HydrophobicContact CG2-CG 3.96Å; I284-L286 PolarHBondContact O-N 3.38Å; I284-C353 WeakPolarHBondContact O-CA 3.25Å; I284-V354 PolarHBondContact N-O 2.9Å; I284-V354 PolarHBondContact O-N 3.29Å; I284-F356 HydrophobicContact CD1-CD2 3.68Å; I284-F356 HydrophobicContact CD1-CE2 3.53Å; I284-F356 HydrophobicContact CD1-CZ 4.45Å
285D78.7Confident73.4Confident107 Ų10770 Ų7057%0.57238%0.375SS*.EExtended strand (participates in β ladder)trans-75115.1173.8-169.36.4000109.3
286L80.7Confident74.5Confident20 Ų2067.8 Ų67.811%0.10536%0.356CS..EExtended strand (participates in β ladder)trans-124.8130.7-179.1-69.1177.7000110.7L238 I284 L288 T352 V354L238-L286 HydrophobicContact CD2-CD2 4.45Å; I284-L286 HydrophobicContact CG2-CD2 3.94Å; I284-L286 HydrophobicContact CG2-CG 3.96Å; I284-L286 PolarHBondContact O-N 3.38Å; L286-L288 HydrophobicContact CB-CD2 4.21Å; L286-L288 PolarHBondContact O-N 2.87Å; L286-T352 PolarHBondContact N-O 2.99Å; L286-T352 PolarHBondContact O-N 3.46Å; L286-V354 HydrophobicContact CB-CG2 4.06Å; L286-V354 HydrophobicContact CD1-CB 3.99Å; L286-V354 HydrophobicContact CD1-CG2 3.82Å; L286-V354 HydrophobicContact CG-CG2 4.32Å
287P80.2Confident75.5Confident41 Ų4163.8 Ų63.827%0.26634%0.337SS..EExtended strand (participates in β ladder)trans-76115.5166.530.8-30.9000109.6L350P287-L350 CarbonylContact C-O 3.6Å; P287-L350 WeakPolarHBondContact CA-O 3.35Å
288L81.6Confident76.3Confident12 Ų1263.2 Ų63.26%0.06333%0.33CS..EExtended strand (participates in β ladder)trans-108.7145.6179.8-59.3-179.2000111L286 F328 L350 T352 V354 V391L286-L288 HydrophobicContact CB-CD2 4.21Å; L286-L288 PolarHBondContact O-N 2.87Å; L288-F328 HydrophobicContact CD1-CD1 4.41Å; L288-F328 HydrophobicContact CD1-CD2 3.83Å; L288-F328 HydrophobicContact CD1-CE1 4.27Å; L288-F328 HydrophobicContact CD1-CE2 3.68Å; L288-F328 HydrophobicContact CD1-CG 4.19Å; L288-F328 HydrophobicContact CD1-CZ 3.92Å; L288-L350 PolarHBondContact N-O 3.08Å; L288-L350 PolarHBondContact O-N 2.82Å; L288-T352 HydrophobicContact CD1-CG2 3.62Å; L288-T352 HydrophobicContact CG-CG2 4.27Å; L288-V354 HydrophobicContact CD1-CG2 4.1Å; L288-V391 HydrophobicContact CD2-CG2 4.37Å
289L79.6Confident76.5Confident9 Ų962 Ų625%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-113.5116.4168.8-164.470.3000109.3Y291 P347 H349 Y389 Y390 V391L289-Y291 HydrophobicContact CD2-CE2 4.3Å; L289-P347 HydrophobicContact CD1-CB 3.69Å; L289-P347 HydrophobicContact CD1-CG 4.35Å; L289-P347 HydrophobicContact CD2-CB 4.05Å; L289-P347 HydrophobicContact CG-CB 3.79Å; L289-H349 WeakPolarHBondContact CD1-CE1 3.38Å; L289-H349 WeakPolarHBondContact CD1-ND1 3.36Å; L289-Y389 PolarHBondContact N-O 2.99Å; L289-Y390 HydrophobicContact CD2-CD1 3.77Å; L289-Y390 HydrophobicContact CD2-CE1 3.63Å; L289-V391 PolarHBondContact O-N 2.81Å
290I78.3Confident76.6Confident3 Ų360.8 Ų60.82%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-107.8128.6-178.8-59.2-168.8000109.8F328 V330 P347 V348 L350 L393I290-F328 HydrophobicContact CD1-CE2 4.16Å; I290-V330 HydrophobicContact CD1-CG1 4.45Å; I290-V330 HydrophobicContact CD1-CG2 3.33Å; I290-P347 CarbonylContact O-C 3.52Å; I290-P347 WeakPolarHBondContact O-CA 3.32Å; I290-V348 PolarHBondContact N-O 2.88Å; I290-V348 PolarHBondContact O-N 3.25Å; I290-L350 HydrophobicContact CD1-CD1 3.4Å; I290-L350 VanDerWaalsContact CD1-CD1 3.4Å; I290-L350 HydrophobicContact CG1-CD1 3.99Å; I290-L393 HydrophobicContact CG2-CD1 3.4Å; I290-L393 VanDerWaalsContact CG2-CD1 3.4Å; I290-L393 HydrophobicContact CG2-CG 3.89Å
291Y78Confident76.7Confident91 Ų9161.3 Ų61.336%0.35733%0.325SS..EExtended strand (participates in β ladder)trans-94.2117.2166.6-66.3-83.4000109.1L289 P347 Y390L289-Y291 HydrophobicContact CD2-CE2 4.3Å; Y291-P347 HydrophobicContact CD1-CB 4.01Å; Y291-P347 HydrophobicContact CE1-CB 3.71Å; Y291-P347 HydrophobicContact CE1-CG 4.23Å; Y291-Y390 AromaticContact CE2-CD1 3.68Å; Y291-Y390 HydrophobicContact CE2-CD1 3.68Å; Y291-Y390 HydrophobicContact CE2-CE1 4.29Å; Y291-Y390 WeakPolarHBondContact OH-CE1 3.25Å
292P74.1Confident76.9Confident7 Ų758.7 Ų58.75%0.04530%0.304CS..  trans-67.7135.4175.727.2-32000110.2F296 F345P292-F296 HydrophobicContact CB-CB 3.64Å; P292-F296 HydrophobicContact CB-CD1 3.69Å; P292-F296 HydrophobicContact CB-CD2 4.31Å; P292-F296 HydrophobicContact CB-CE1 4.43Å; P292-F296 HydrophobicContact CB-CG 3.61Å; P292-F345 VanDerWaalsContact O-CD1 3.25Å; P292-F345 WeakPolarHBondContact O-CD1 3.17Å
293N72.5Confident77.1Confident63 Ų6357.7 Ų57.734%0.33730%0.3SS..  trans-83.5174.2167.8-162.93.3000110.5E295 F296 D394N293-E295 PolarHBondContact O-N 2.9Å; N293-F296 VanDerWaalsContact O-CB 3.25Å; N293-F296 WeakPolarHBondContact O-CB 3.42Å; N293-F296 PolarHBondContact O-N 2.93Å; N293-D394 PolarHBondContact ND2-OXT 3.48Å
294E69.4Low77.3Confident167 Ų16754.5 Ų54.578%0.7827%0.273SS*.THydrogen-bonded Turntrans-57.7-28.4176.6-63.7-170.7170.500112.9F296 F345E294-F296 VanDerWaalsContact C-N 3.31Å; E294-F345 HydrophobicContact CG-CE1 4.44Å; E294-F345 HydrophobicContact CG-CZ 4.22Å
295E69.7Low77.6Confident168 Ų16853 Ų5379%0.78527%0.265SS*.THydrogen-bonded Turntrans-81.5-5.9177.8-59-169.817300113.9N293 V297N293-E295 PolarHBondContact O-N 2.9Å; E295-V297 PolarHBondContact O-N 3.42Å; E295-V297 VanDerWaalsContact O-N 3.17Å
296F74.7Confident78Confident25 Ų2548 Ų4811%0.1124%0.239CC..  trans-71.1112.3-177.1-174.6-92.7000111.8P292 N293 E294 Y298 Y302 L393P292-F296 HydrophobicContact CB-CB 3.64Å; P292-F296 HydrophobicContact CB-CD1 3.69Å; P292-F296 HydrophobicContact CB-CD2 4.31Å; P292-F296 HydrophobicContact CB-CE1 4.43Å; P292-F296 HydrophobicContact CB-CG 3.61Å; N293-F296 VanDerWaalsContact O-CB 3.25Å; N293-F296 WeakPolarHBondContact O-CB 3.42Å; N293-F296 PolarHBondContact O-N 2.93Å; E294-F296 VanDerWaalsContact C-N 3.31Å; F296-Y298 HydrophobicContact CD1-CD1 4.36Å; F296-Y298 HydrophobicContact CD1-CD2 4.44Å; F296-Y298 HydrophobicContact CD1-CE1 4.3Å; F296-Y298 HydrophobicContact CD1-CE2 4.37Å; F296-Y298 HydrophobicContact CD1-CG 4.43Å; F296-Y298 AromaticContact CE1-CD1 3.95Å; F296-Y298 HydrophobicContact CE1-CD1 3.95Å; F296-Y298 HydrophobicContact CE1-CE1 4.08Å; F296-Y298 HydrophobicContact CE1-CG 4.3Å; F296-Y302 HydrophobicContact CD2-CD2 4.49Å; F296-Y302 AromaticContact CD2-CE2 3.93Å; F296-Y302 HydrophobicContact CD2-CE2 3.93Å; F296-Y302 AromaticContact CE2-CD2 3.79Å; F296-Y302 HydrophobicContact CE2-CD2 3.79Å; F296-Y302 AromaticContact CE2-CE2 3.46Å; F296-Y302 HydrophobicContact CE2-CE2 3.46Å; F296-Y302 VanDerWaalsContact CE2-CE2 3.46Å; F296-Y302 HydrophobicContact CZ-CD2 4.36Å; F296-Y302 AromaticContact CZ-CE2 3.89Å; F296-Y302 HydrophobicContact CZ-CE2 3.89Å; F296-L393 HydrophobicContact CD2-CD1 4.48Å
297V75Confident78.2Confident77 Ų7751.9 Ų51.947%0.46726%0.255SS..  trans-88.3117.2175.6-168.20000110.1E295 M300 Y302E295-V297 PolarHBondContact O-N 3.42Å; E295-V297 VanDerWaalsContact O-N 3.17Å; V297-M300 HydrophobicContact CB-CE 3.77Å; V297-M300 HydrophobicContact CB-CG 4.3Å; V297-M300 HydrophobicContact CG1-CE 4.03Å; V297-M300 HydrophobicContact CG1-CG 4.01Å; V297-M300 HydrophobicContact CG2-CE 4.06Å; V297-Y302 VanDerWaalsContact CA-OH 3.3Å; V297-Y302 WeakPolarHBondContact CA-OH 3.3Å; V297-Y302 WeakPolarHBondContact CB-OH 3.48Å; V297-Y302 PolarHBondContact N-OH 2.85Å; V297-Y302 PolarHBondContact O-OH 2.78Å
298Y78.2Confident78.5Confident71 Ų7150 Ų5028%0.27824%0.243SC..THydrogen-bonded Turntrans-65.4161171.8-66.8-86.7000111.9F296 M300 N335F296-Y298 HydrophobicContact CD1-CD1 4.36Å; F296-Y298 HydrophobicContact CD1-CD2 4.44Å; F296-Y298 HydrophobicContact CD1-CE1 4.3Å; F296-Y298 HydrophobicContact CD1-CE2 4.37Å; F296-Y298 HydrophobicContact CD1-CG 4.43Å; F296-Y298 AromaticContact CE1-CD1 3.95Å; F296-Y298 HydrophobicContact CE1-CD1 3.95Å; F296-Y298 HydrophobicContact CE1-CE1 4.08Å; F296-Y298 HydrophobicContact CE1-CG 4.3Å; Y298-M300 PolarHBondContact O-N 3.11Å; Y298-N335 HydrophobicContact CD1-CB 3.89Å; Y298-N335 HydrophobicContact CD2-CB 4.23Å; Y298-N335 HydrophobicContact CE1-CB 4.37Å; Y298-N335 HydrophobicContact CG-CB 3.82Å
299N74.7Confident78.7Confident105 Ų10552 Ų5256%0.56125%0.252SS*.THydrogen-bonded Turntrans61.217.5-175.2-64-24.4000115.4S332 V333 Q334N299-S332 VanDerWaalsContact C-OG 3.27Å; N299-S332 WeakPolarHBondContact CA-OG 3.41Å; N299-S332 PolarHBondContact O-OG 3.02Å; N299-V333 PolarHBondContact N-O 3.49Å; N299-Q334 WeakPolarHBondContact OD1-CA 3.5Å
300M74.5Confident78.8Confident58 Ų5851.6 Ų51.629%0.28625%0.25SC..  trans-119144.4174.4-64.4-134.2-65.500110.7N250 V297 Y298 Y302 S332N250-M300 WeakPolarHBondContact ND2-CE 3.47Å; V297-M300 HydrophobicContact CB-CE 3.77Å; V297-M300 HydrophobicContact CB-CG 4.3Å; V297-M300 HydrophobicContact CG1-CE 4.03Å; V297-M300 HydrophobicContact CG1-CG 4.01Å; V297-M300 HydrophobicContact CG2-CE 4.06Å; Y298-M300 PolarHBondContact O-N 3.11Å; M300-Y302 HydrophobicContact CB-CE2 4.16Å; M300-Y302 HydrophobicContact CE-CE1 4.48Å; M300-S332 WeakPolarHBondContact O-CA 3.28Å
301S78.7Confident79Confident31 Ų3158 Ų5822%0.21727%0.273CS..  trans-92.8136172.756.40000110.5V330S301-V330 VanDerWaalsContact CA-O 3.32Å; S301-V330 WeakPolarHBondContact CA-O 3.46Å
302Y79.6Confident79.2Confident15 Ų1555.8 Ų55.86%0.05927%0.266CS..EExtended strand (participates in β ladder)trans-116.8138.6179-59-81.5000110.6I248 F296 V297 M300 V330I248-Y302 HydrophobicContact CG2-CD1 3.34Å; I248-Y302 HydrophobicContact CG2-CE1 3.99Å; I248-Y302 HydrophobicContact CG2-CG 4.13Å; F296-Y302 HydrophobicContact CD2-CD2 4.49Å; F296-Y302 AromaticContact CD2-CE2 3.93Å; F296-Y302 HydrophobicContact CD2-CE2 3.93Å; F296-Y302 AromaticContact CE2-CD2 3.79Å; F296-Y302 HydrophobicContact CE2-CD2 3.79Å; F296-Y302 AromaticContact CE2-CE2 3.46Å; F296-Y302 HydrophobicContact CE2-CE2 3.46Å; F296-Y302 VanDerWaalsContact CE2-CE2 3.46Å; F296-Y302 HydrophobicContact CZ-CD2 4.36Å; F296-Y302 AromaticContact CZ-CE2 3.89Å; F296-Y302 HydrophobicContact CZ-CE2 3.89Å; V297-Y302 VanDerWaalsContact CA-OH 3.3Å; V297-Y302 WeakPolarHBondContact CA-OH 3.3Å; V297-Y302 WeakPolarHBondContact CB-OH 3.48Å; V297-Y302 PolarHBondContact N-OH 2.85Å; V297-Y302 PolarHBondContact O-OH 2.78Å; M300-Y302 HydrophobicContact CB-CE2 4.16Å; M300-Y302 HydrophobicContact CE-CE1 4.48Å; Y302-V330 HydrophobicContact CD2-CG1 4.44Å; Y302-V330 PolarHBondContact N-O 3.1Å; Y302-V330 PolarHBondContact O-N 3.44Å
303L82.7Confident79.3Confident25 Ų2556.7 Ų56.713%0.13127%0.27CS..EExtended strand (participates in β ladder)trans-99.5116.2163.9177.265.2000107.6I249 A254 I305I249-L303 HydrophobicContact CB-CB 4.43Å; I249-L303 PolarHBondContact N-O 3.39Å; I249-L303 PolarHBondContact O-N 3.49Å; A254-L303 HydrophobicContact CB-CB 4.35Å; L303-I305 HydrophobicContact CD2-CD1 4.12Å; L303-I305 HydrophobicContact CD2-CG1 4.45Å; L303-I305 HydrophobicContact CG-CD1 4.31Å; L303-I305 HydrophobicContact CG-CG1 4.13Å
304L83.5Confident79.4Confident3 Ų354.9 Ų54.92%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-99.3132.5178.6-7090.4000109.1F246 C247 S327 F328 V330 L393F246-L304 HydrophobicContact CB-CB 4.09Å; F246-L304 HydrophobicContact CB-CD2 3.85Å; F246-L304 HydrophobicContact CB-CG 4.42Å; F246-L304 HydrophobicContact CD1-CB 4.06Å; F246-L304 HydrophobicContact CG-CB 4.31Å; F246-L304 HydrophobicContact CG-CD2 4.26Å; C247-L304 WeakPolarHBondContact O-CA 3.3Å; L304-S327 WeakPolarHBondContact O-CA 3.5Å; L304-F328 HydrophobicContact CB-CD1 4.34Å; L304-F328 HydrophobicContact CB-CE1 3.97Å; L304-F328 HydrophobicContact CB-CE2 4.16Å; L304-F328 HydrophobicContact CB-CZ 3.87Å; L304-F328 HydrophobicContact CD1-CD2 4.39Å; L304-F328 HydrophobicContact CD1-CE2 3.91Å; L304-F328 HydrophobicContact CD1-CZ 4.31Å; L304-F328 HydrophobicContact CD2-CE2 4.15Å; L304-F328 HydrophobicContact CD2-CZ 3.79Å; L304-F328 HydrophobicContact CG-CE2 4.32Å; L304-F328 HydrophobicContact CG-CZ 4.22Å; L304-F328 PolarHBondContact N-O 2.87Å; L304-F328 PolarHBondContact O-N 2.86Å; L304-V330 HydrophobicContact CD1-CB 3.91Å; L304-V330 HydrophobicContact CD1-CG2 3.31Å; L304-L393 HydrophobicContact CD2-CD1 4.46Å; L304-L393 HydrophobicContact CD2-CD2 3.25Å; L304-L393 HydrophobicContact CD2-CG 4.48Å
305I84.9Confident79.8Confident15 Ų1549 Ų498%0.07724%0.24CC..EExtended strand (participates in β ladder)trans-131.3130.1-178.7-56172.9000108.7C247 I249 L267 L270 L303 I326C247-I305 WeakPolarHBondContact CB-O 3.45Å; C247-I305 PolarHBondContact N-O 2.98Å; C247-I305 PolarHBondContact O-N 2.94Å; I249-I305 HydrophobicContact CD1-CD1 3.41Å; I249-I305 VanDerWaalsContact CD1-CD1 3.41Å; I249-I305 HydrophobicContact CG1-CD1 4.19Å; L267-I305 HydrophobicContact CD2-CD1 3.87Å; L267-I305 HydrophobicContact CD2-CG1 4.41Å; L267-I305 HydrophobicContact CD2-CG2 4Å; L270-I305 HydrophobicContact CD1-CD1 4.15Å; L303-I305 HydrophobicContact CD2-CD1 4.12Å; L303-I305 HydrophobicContact CD2-CG1 4.45Å; L303-I305 HydrophobicContact CG-CD1 4.31Å; L303-I305 HydrophobicContact CG-CG1 4.13Å; I305-I326 CarbonylContact C-O 3.57Å; I305-I326 VanDerWaalsContact CA-O 3.3Å; I305-I326 WeakPolarHBondContact CA-O 3.2Å
306A86.7Confident80.3Confident2 Ų250 Ų502%0.01724%0.242CC..EExtended strand (participates in β ladder)trans-127.2152.2171.300000110.4L244 E245 F246 N325 I326L244-A306 HydrophobicContact CB-CB 4.35Å; L244-A306 HydrophobicContact CD2-CB 4.18Å; E245-A306 WeakPolarHBondContact O-CB 3.49Å; F246-A306 HydrophobicContact CD1-CB 3.45Å; F246-A306 VanDerWaalsContact CD1-CB 3.45Å; F246-A306 HydrophobicContact CE1-CB 3.45Å; F246-A306 VanDerWaalsContact CE1-CB 3.45Å; F246-A306 HydrophobicContact CG-CB 4.13Å; F246-A306 HydrophobicContact CZ-CB 4.17Å; A306-N325 WeakPolarHBondContact O-CA 3.38Å; A306-I326 PolarHBondContact N-O 3.45Å; A306-I326 PolarHBondContact O-N 3.43Å
307K85.6Confident80.7Confident102 Ų10251.2 Ų51.244%0.44326%0.261SS..EExtended strand (participates in β ladder)trans-110.1130.2173-58.1-163.6-179.3-171.10109.1L244 D271 N325L244-K307 WeakPolarHBondContact CD2-O 3.32Å; D271-K307 IonicContact OD1-NZ 3.86Å; D271-K307 PolarHBondContact OD1-NZ 3.08Å; K307-N325 WeakPolarHBondContact CG-OD1 3.2Å
308M86.2Confident81.1Confident1 Ų153.5 Ų53.51%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-126174.9175.268.5169.8-35.300110.5L237 L244 H312 I313 K323 L324 I326L237-M308 HydrophobicContact CD1-CE 4.16Å; L244-M308 HydrophobicContact CD1-CB 4.03Å; L244-M308 HydrophobicContact CD2-CB 4.08Å; M308-H312 HydrophobicContact CE-CB 3.9Å; M308-I313 HydrophobicContact CE-CG2 3.3Å; M308-I313 HydrophobicContact SD-CG2 4.15Å; M308-K323 CarbonylContact O-C 3.46Å; M308-K323 WeakPolarHBondContact O-CA 3.45Å; M308-L324 HydrophobicContact CG-CB 3.64Å; M308-L324 HydrophobicContact CG-CD1 3.63Å; M308-L324 HydrophobicContact CG-CG 4.17Å; M308-L324 VanDerWaalsContact CG-O 3.3Å; M308-L324 WeakPolarHBondContact CG-O 3.45Å; M308-L324 PolarHBondContact N-O 3.31Å; M308-L324 PolarHBondContact O-N 3.14Å; M308-L324 VanDerWaalsContact O-O 3.13Å; M308-L324 HydrophobicContact SD-CB 4.16Å; M308-L324 HydrophobicContact SD-CD1 4.11Å; M308-I326 HydrophobicContact CB-CD1 4.17Å; M308-I326 HydrophobicContact CG-CD1 3.76Å; M308-I326 HydrophobicContact CG-CG1 4.26Å; M308-I326 HydrophobicContact SD-CD1 3.48Å; M308-I326 WeakPolarHBondContact SD-CD1 3.35Å; M308-I326 HydrophobicContact SD-CG1 3.96Å
309H86.2Confident81.2Confident55 Ų5553.4 Ų53.426%0.25528%0.282SS..EExtended strand (participates in β ladder)trans-129.9156.3179.2-60.771.4000111.2R311 H312 L321 Q322 L324H309-R311 HydrophobicContact CB-CG 4.13Å; H309-R311 PolarHBondContact O-N 3.4Å; H309-R311 VanDerWaalsContact O-N 3.08Å; H309-H312 WeakPolarHBondContact CA-ND1 3.43Å; H309-H312 WeakPolarHBondContact CB-ND1 3.45Å; H309-H312 PolarHBondContact N-ND1 2.88Å; H309-H312 AromaticContact ND1-CE1 3.72Å; H309-H312 WeakPolarHBondContact O-CB 3.21Å; H309-H312 PolarHBondContact O-N 2.81Å; H309-H312 PolarHBondContact O-ND1 3.02Å; H309-L321 PolarHBondContact CD2-O 3.12Å; H309-Q322 CarbonylContact C-O 3.53Å; H309-Q322 VanDerWaalsContact CA-O 3.23Å; H309-Q322 WeakPolarHBondContact CA-O 3.41Å; H309-L324 VanDerWaalsContact CA-CD1 3.48Å
310G82.7Confident81.6Confident0 Ų049.1 Ų49.10%026%0.261CS..THydrogen-bonded Turntrans-54.2-32.9-176.400000113.8H312 I313 G314 I315 A320 Q322 L324G310-H312 PolarHBondContact O-N 2.98Å; G310-I313 WeakPolarHBondContact O-CG1 3.45Å; G310-I313 PolarHBondContact O-N 2.93Å; G310-G314 PolarHBondContact O-N 3.06Å; G310-I315 WeakPolarHBondContact O-CB 3.39Å; G310-I315 PolarHBondContact O-N 3.03Å; G310-A320 PolarHBondContact N-O 2.92Å; G310-Q322 PolarHBondContact N-O 3.38Å; G310-L324 VanDerWaalsContact N-CD1 3.28Å
311R82Confident82.1Confident137 Ų13752.2 Ų52.252%0.51728%0.278SS..THydrogen-bonded Turntrans-58.4-33.9175.765.9-175-175.2-169.4-1.6113.5H309 G314 A320H309-R311 HydrophobicContact CB-CG 4.13Å; H309-R311 PolarHBondContact O-N 3.4Å; H309-R311 VanDerWaalsContact O-N 3.08Å; R311-G314 PolarHBondContact O-N 3.32Å; R311-G314 VanDerWaalsContact O-N 3.12Å; R311-A320 HydrophobicContact CB-CB 4.03Å; R311-A320 WeakPolarHBondContact CB-O 3.45Å; R311-A320 PolarHBondContact N-O 3Å
312H81.5Confident82.3Confident44 Ų4452.8 Ų52.820%0.20428%0.278CS..THydrogen-bonded Turntrans-68.7-40-179.6-5498.9000109.8K236 E240 M308 H309 G310 G314K236-H312 WeakPolarHBondContact CE-O 3.44Å; E240-H312 HydrophobicContact CB-CB 4.24Å; E240-H312 HydrophobicContact CG-CB 4.27Å; E240-H312 WeakPolarHBondContact CG-O 3.35Å; E240-H312 IonicContact OE2-CD2 2.7Å; E240-H312 PolarHBondContact OE2-CD2 2.93Å; E240-H312 IonicContact OE2-CG 2.75Å; M308-H312 HydrophobicContact CE-CB 3.9Å; H309-H312 WeakPolarHBondContact CA-ND1 3.43Å; H309-H312 WeakPolarHBondContact CB-ND1 3.45Å; H309-H312 PolarHBondContact N-ND1 2.88Å; H309-H312 AromaticContact ND1-CE1 3.72Å; H309-H312 WeakPolarHBondContact O-CB 3.21Å; H309-H312 PolarHBondContact O-N 2.81Å; H309-H312 PolarHBondContact O-ND1 3.02Å; G310-H312 PolarHBondContact O-N 2.98Å; H312-G314 PolarHBondContact O-N 3.07Å; H312-G314 VanDerWaalsContact O-N 3.16Å
313I76.2Confident82.5Confident26 Ų2657.8 Ų57.813%0.13330%0.3CS..THydrogen-bonded Turntrans-78.25.3173.163.6170.1000114.3L237 M308 G310 I315 L324 I362L237-I313 HydrophobicContact CD1-CG2 3.42Å; L237-I313 VanDerWaalsContact CD1-CG2 3.42Å; M308-I313 HydrophobicContact CE-CG2 3.3Å; M308-I313 HydrophobicContact SD-CG2 4.15Å; G310-I313 WeakPolarHBondContact O-CG1 3.45Å; G310-I313 PolarHBondContact O-N 2.93Å; I313-I315 HydrophobicContact CD1-CD1 3.49Å; I313-I315 VanDerWaalsContact CD1-CD1 3.49Å; I313-I315 HydrophobicContact CD1-CG1 3.97Å; I313-I315 HydrophobicContact CG1-CD1 3.94Å; I313-I315 HydrophobicContact CG1-CG1 3.93Å; I313-L324 HydrophobicContact CD1-CD2 3.86Å; I313-I362 HydrophobicContact CD1-CG2 3.63Å
314G74Confident82.5Confident26 Ų2656.7 Ų56.727%0.26829%0.294SS..THydrogen-bonded Turntrans85.28.917800000115.9G310 R311 H312 K316G310-G314 PolarHBondContact O-N 3.06Å; R311-G314 PolarHBondContact O-N 3.32Å; R311-G314 VanDerWaalsContact O-N 3.12Å; H312-G314 PolarHBondContact O-N 3.07Å; H312-G314 VanDerWaalsContact O-N 3.16Å; G314-K316 PolarHBondContact O-N 3.05Å
315I77.8Confident82.6Confident43 Ų4357.1 Ų57.122%0.22130%0.296CS..  trans-67133.3169.8-65174.3000108.9G310 I313 L319 A320 I362G310-I315 WeakPolarHBondContact O-CB 3.39Å; G310-I315 PolarHBondContact O-N 3.03Å; I313-I315 HydrophobicContact CD1-CD1 3.49Å; I313-I315 VanDerWaalsContact CD1-CD1 3.49Å; I313-I315 HydrophobicContact CD1-CG1 3.97Å; I313-I315 HydrophobicContact CG1-CD1 3.94Å; I313-I315 HydrophobicContact CG1-CG1 3.93Å; I315-L319 HydrophobicContact CG2-CB 3.51Å; I315-A320 VanDerWaalsContact O-CB 3.24Å; I315-A320 WeakPolarHBondContact O-CB 3.25Å; I315-I362 HydrophobicContact CD1-CB 4.27Å; I315-I362 HydrophobicContact CD1-CG1 4.31Å; I315-I362 HydrophobicContact CD1-CG2 3.57Å
316K80.7Confident82.7Confident189 Ų18956.4 Ų56.482%0.82229%0.292SS*.  trans-106.5163.8176-63.4-176.3-179.7-179.60110.3G314G314-K316 PolarHBondContact O-N 3.05Å
317G84.2Confident82.6Confident50 Ų5056.9 Ų56.952%0.51530%0.295SS..SBendtrans81.7-157.8177.200000113.4L319 A320G317-L319 PolarHBondContact O-N 2.85Å; G317-A320 WeakPolarHBondContact O-CB 3.33Å; G317-A320 PolarHBondContact O-N 3Å
318P83.2Confident82.6Confident125 Ų12552.3 Ų52.381%0.81228%0.276SS*.G310 helixtrans-58.2-34.6-174.9-25.234.3000113.8A320 L321P318-A320 PolarHBondContact O-N 3.37Å; P318-L321 PolarHBondContact O-N 3.45Å
319L80.6Confident82.3Confident69 Ų6954.3 Ų54.336%0.36129%0.286SS..G310 helixtrans-69.5-13.5178.3-62.7175.4000113.2I315 G317 L321 Q322 A361I315-L319 HydrophobicContact CG2-CB 3.51Å; G317-L319 PolarHBondContact O-N 2.85Å; L319-L321 PolarHBondContact O-N 2.92Å; L319-Q322 WeakPolarHBondContact O-CB 3.28Å; L319-Q322 PolarHBondContact O-N 3.16Å; L319-Q322 VanDerWaalsContact O-N 3.14Å; L319-A361 HydrophobicContact CD2-CB 3.77Å
320A82.6Confident82.1Confident15 Ų1551.8 Ų51.812%0.12428%0.275CS..G310 helixtrans-65.1-26.4178.200000112.8G310 R311 I315 G317 P318G310-A320 PolarHBondContact N-O 2.92Å; R311-A320 HydrophobicContact CB-CB 4.03Å; R311-A320 WeakPolarHBondContact CB-O 3.45Å; R311-A320 PolarHBondContact N-O 3Å; I315-A320 VanDerWaalsContact O-CB 3.24Å; I315-A320 WeakPolarHBondContact O-CB 3.25Å; G317-A320 WeakPolarHBondContact O-CB 3.33Å; G317-A320 PolarHBondContact O-N 3Å; P318-A320 PolarHBondContact O-N 3.37Å
321L84.1Confident81.8Confident123 Ų12354.8 Ų54.864%0.64429%0.294SS*.G310 helixtrans-90.5-0.3177.8-64.8176.7000113.2H309 P318 L319H309-L321 PolarHBondContact CD2-O 3.12Å; P318-L321 PolarHBondContact O-N 3.45Å; L319-L321 PolarHBondContact O-N 2.92Å
322Q83.4Confident81.6Confident44 Ų4451.2 Ų51.221%0.20629%0.29CS..  trans-78.6137.3-176.9-163.8172.424.200111.2H309 G310 L319 T359 I362H309-Q322 CarbonylContact C-O 3.53Å; H309-Q322 VanDerWaalsContact CA-O 3.23Å; H309-Q322 WeakPolarHBondContact CA-O 3.41Å; G310-Q322 PolarHBondContact N-O 3.38Å; L319-Q322 WeakPolarHBondContact O-CB 3.28Å; L319-Q322 PolarHBondContact O-N 3.16Å; L319-Q322 VanDerWaalsContact O-N 3.14Å; Q322-T359 VanDerWaalsContact CD-OG1 3.28Å; Q322-T359 PolarHBondContact NE2-OG1 3.41Å; Q322-T359 PolarHBondContact OE1-OG1 3.43Å; Q322-I362 HydrophobicContact CB-CD1 3.72Å; Q322-I362 HydrophobicContact CB-CG1 4.38Å; Q322-I362 HydrophobicContact CG-CD1 3.73Å; Q322-I362 HydrophobicContact CG-CG1 4.36Å
323K83.6Confident81.2Confident120 Ų12050.5 Ų50.552%0.52229%0.289SS..EExtended strand (participates in β ladder)trans-77.8142.1-176.5-61177.5-176.9174.90111.3M308M308-K323 CarbonylContact O-C 3.46Å; M308-K323 WeakPolarHBondContact O-CA 3.45Å
324L83.6Confident80.9Confident1 Ų156.5 Ų56.51%0.00532%0.316CS..EExtended strand (participates in β ladder)trans-129.9137.7167.8-33.288.4000108.3M308 H309 G310 I313 T357 A358 I362 F363M308-L324 HydrophobicContact CG-CB 3.64Å; M308-L324 HydrophobicContact CG-CD1 3.63Å; M308-L324 HydrophobicContact CG-CG 4.17Å; M308-L324 VanDerWaalsContact CG-O 3.3Å; M308-L324 WeakPolarHBondContact CG-O 3.45Å; M308-L324 PolarHBondContact N-O 3.31Å; M308-L324 PolarHBondContact O-N 3.14Å; M308-L324 VanDerWaalsContact O-O 3.13Å; M308-L324 HydrophobicContact SD-CB 4.16Å; M308-L324 HydrophobicContact SD-CD1 4.11Å; H309-L324 VanDerWaalsContact CA-CD1 3.48Å; G310-L324 VanDerWaalsContact N-CD1 3.28Å; I313-L324 HydrophobicContact CD1-CD2 3.86Å; L324-T357 WeakPolarHBondContact CA-O 3.24Å; L324-A358 HydrophobicContact CB-CB 4.06Å; L324-A358 HydrophobicContact CD2-CB 3.97Å; L324-A358 HydrophobicContact CG-CB 4.07Å; L324-I362 HydrophobicContact CD1-CD1 4.23Å; L324-I362 HydrophobicContact CD2-CB 4.37Å; L324-I362 HydrophobicContact CD2-CD1 3.83Å; L324-I362 HydrophobicContact CD2-CG2 3.43Å; L324-I362 VanDerWaalsContact CD2-CG2 3.43Å; L324-I362 HydrophobicContact CG-CD1 3.69Å; L324-I362 HydrophobicContact CG-CG2 4.43Å; L324-F363 HydrophobicContact CD2-CE2 3.83Å; L324-F363 HydrophobicContact CD2-CZ 3.92Å
325N84.9Confident80.5Confident12 Ų1258.7 Ų58.76%0.06432%0.322CS..EExtended strand (participates in β ladder)trans-110136.4178.7-56.6-34.5000109.7D271 A306 K307 T357D271-N325 PolarHBondContact OD2-ND2 3.27Å; A306-N325 WeakPolarHBondContact O-CA 3.38Å; K307-N325 WeakPolarHBondContact CG-OD1 3.2Å; N325-T357 WeakPolarHBondContact CB-OG1 3.11Å; N325-T357 PolarHBondContact N-O 3.35Å; N325-T357 PolarHBondContact O-N 3.45Å; N325-T357 PolarHBondContact O-OG1 3.42Å
326I86.9Confident79.8Confident0 Ų065.1 Ų65.10%035%0.351CS..EExtended strand (participates in β ladder)trans-114.1134.7-179.8-59150.7000107.5L241 L244 F246 I305 A306 M308 V354 T355 F356L241-I326 HydrophobicContact CD2-CD1 3.3Å; L241-I326 HydrophobicContact CD2-CG1 4.14Å; L241-I326 HydrophobicContact CD2-CG2 4.31Å; L244-I326 HydrophobicContact CD1-CD1 3.69Å; F246-I326 HydrophobicContact CE1-CG2 4.26Å; I305-I326 CarbonylContact C-O 3.57Å; I305-I326 VanDerWaalsContact CA-O 3.3Å; I305-I326 WeakPolarHBondContact CA-O 3.2Å; A306-I326 PolarHBondContact N-O 3.45Å; A306-I326 PolarHBondContact O-N 3.43Å; M308-I326 HydrophobicContact CB-CD1 4.17Å; M308-I326 HydrophobicContact CG-CD1 3.76Å; M308-I326 HydrophobicContact CG-CG1 4.26Å; M308-I326 HydrophobicContact SD-CD1 3.48Å; M308-I326 WeakPolarHBondContact SD-CD1 3.35Å; M308-I326 HydrophobicContact SD-CG1 3.96Å; I326-V354 HydrophobicContact CG2-CG1 3.45Å; I326-V354 VanDerWaalsContact CG2-CG1 3.45Å; I326-T355 CarbonylContact C-O 3.58Å; I326-T355 WeakPolarHBondContact CA-O 3.42Å; I326-F356 HydrophobicContact CD1-CE1 4.38Å; I326-F356 HydrophobicContact CG1-CD1 3.8Å; I326-F356 HydrophobicContact CG1-CE1 3.84Å; I326-F356 HydrophobicContact CG2-CE1 4.47Å
327S84.5Confident78.7Confident12 Ų1258.7 Ų58.78%0.08433%0.326CS..EExtended strand (participates in β ladder)trans-143.2139.7175.162.10000112.4L304 T355L304-S327 WeakPolarHBondContact O-CA 3.5Å; S327-T355 PolarHBondContact N-O 2.95Å; S327-T355 PolarHBondContact O-N 2.77Å
328F84.9Confident77.1Confident6 Ų667.9 Ų67.93%0.02635%0.345CS..EExtended strand (participates in β ladder)trans-147.9157171.965.7-90000111.9F246 L288 I290 L304 V330 T352 V354F246-F328 AromaticContact CD1-CE1 3.75Å; F246-F328 HydrophobicContact CD1-CE1 3.75Å; F246-F328 HydrophobicContact CD1-CZ 4.49Å; F246-F328 HydrophobicContact CE1-CD1 4.13Å; F246-F328 AromaticContact CE1-CE1 3.46Å; F246-F328 HydrophobicContact CE1-CE1 3.46Å; F246-F328 VanDerWaalsContact CE1-CE1 3.46Å; F246-F328 HydrophobicContact CE1-CZ 4.46Å; F246-F328 HydrophobicContact CE2-CE1 4.39Å; F246-F328 HydrophobicContact CG-CE1 4.37Å; F246-F328 AromaticContact CZ-CE1 3.81Å; F246-F328 HydrophobicContact CZ-CE1 3.81Å; L288-F328 HydrophobicContact CD1-CD1 4.41Å; L288-F328 HydrophobicContact CD1-CD2 3.83Å; L288-F328 HydrophobicContact CD1-CE1 4.27Å; L288-F328 HydrophobicContact CD1-CE2 3.68Å; L288-F328 HydrophobicContact CD1-CG 4.19Å; L288-F328 HydrophobicContact CD1-CZ 3.92Å; I290-F328 HydrophobicContact CD1-CE2 4.16Å; L304-F328 HydrophobicContact CB-CD1 4.34Å; L304-F328 HydrophobicContact CB-CE1 3.97Å; L304-F328 HydrophobicContact CB-CE2 4.16Å; L304-F328 HydrophobicContact CB-CZ 3.87Å; L304-F328 HydrophobicContact CD1-CD2 4.39Å; L304-F328 HydrophobicContact CD1-CE2 3.91Å; L304-F328 HydrophobicContact CD1-CZ 4.31Å; L304-F328 HydrophobicContact CD2-CE2 4.15Å; L304-F328 HydrophobicContact CD2-CZ 3.79Å; L304-F328 HydrophobicContact CG-CE2 4.32Å; L304-F328 HydrophobicContact CG-CZ 4.22Å; L304-F328 PolarHBondContact N-O 2.87Å; L304-F328 PolarHBondContact O-N 2.86Å; F328-V330 HydrophobicContact CD2-CG2 4.12Å; F328-V330 HydrophobicContact CE2-CG2 3.69Å; F328-T352 HydrophobicContact CB-CG2 4.21Å; F328-T352 HydrophobicContact CD2-CG2 3.97Å; F328-T352 HydrophobicContact CG-CG2 4.39Å; F328-V354 HydrophobicContact CB-CB 4.44Å; F328-V354 HydrophobicContact CB-CG2 3.98Å; F328-V354 HydrophobicContact CD1-CG2 4.32Å; F328-V354 HydrophobicContact CG-CG2 4.28Å
329L80.1Confident75.7Confident43 Ų4372 Ų7223%0.22535%0.35CS..EExtended strand (participates in β ladder)trans-95.8132178.6-170.281.8000110.1A254 A258 T352A254-L329 HydrophobicContact CB-CD1 4.36Å; A258-L329 HydrophobicContact CB-CD1 4.38Å; L329-T352 PolarHBondContact O-OG1 3.35Å
330V81.6Confident74.5Confident3 Ų371.1 Ų71.12%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-98.8113.2163.1172.50000107.8I290 S301 Y302 L304 F328 L350I290-V330 HydrophobicContact CD1-CG1 4.45Å; I290-V330 HydrophobicContact CD1-CG2 3.33Å; S301-V330 VanDerWaalsContact CA-O 3.32Å; S301-V330 WeakPolarHBondContact CA-O 3.46Å; Y302-V330 HydrophobicContact CD2-CG1 4.44Å; Y302-V330 PolarHBondContact N-O 3.1Å; Y302-V330 PolarHBondContact O-N 3.44Å; L304-V330 HydrophobicContact CD1-CB 3.91Å; L304-V330 HydrophobicContact CD1-CG2 3.31Å; F328-V330 HydrophobicContact CD2-CG2 4.12Å; F328-V330 HydrophobicContact CE2-CG2 3.69Å; V330-L350 HydrophobicContact CB-CD1 4.29Å; V330-L350 HydrophobicContact CG1-CD1 3.83Å; V330-L350 HydrophobicContact CG2-CD1 3.86Å
331P77.8Confident73.1Confident62 Ų6281 Ų8140%0.40340%0.398SS..  trans-66.8160.4177.329.7-34.4000110.7V333 L350P331-V333 WeakPolarHBondContact O-CG2 3.3Å; P331-V333 PolarHBondContact O-N 3.05Å; P331-L350 HydrophobicContact CG-CD2 3.79Å
332S77.4Confident71.7Confident62 Ų6282.7 Ų82.743%0.43440%0.402SS..  trans-59.5106.9174.4158.50000111N299 M300N299-S332 VanDerWaalsContact C-OG 3.27Å; N299-S332 WeakPolarHBondContact CA-OG 3.41Å; N299-S332 PolarHBondContact O-OG 3.02Å; M300-S332 WeakPolarHBondContact O-CA 3.28Å
333V72.8Confident70.3Confident29 Ų2985.1 Ų85.118%0.17642%0.422CS..  trans-85.7126176.2-173.50000109.3N299 P331 V348N299-V333 PolarHBondContact N-O 3.49Å; P331-V333 WeakPolarHBondContact O-CG2 3.3Å; P331-V333 PolarHBondContact O-N 3.05Å; V333-V348 HydrophobicContact CB-CG1 4.49Å; V333-V348 HydrophobicContact CG1-CG1 4.01Å; V333-V348 HydrophobicContact CG1-CG2 4.15Å; V333-V348 HydrophobicContact CG2-CG1 3.63Å; V333-V348 HydrophobicContact CG2-CG2 4.46Å
334Q69.4Low68.9Low153 Ų15382.9 Ų82.972%0.71542%0.416SS*.  trans-76.2136.6173.7-64.3-173.29.900110.3N299 E336N299-Q334 WeakPolarHBondContact OD1-CA 3.5Å; Q334-E336 PolarHBondContact O-N 3.42Å
335N67.1Low67.8Low71 Ų7187.7 Ų87.738%0.3844%0.437SS..  trans-75.6104171-175.93.4000109.5Y298 N337Y298-N335 HydrophobicContact CD1-CB 3.89Å; Y298-N335 HydrophobicContact CD2-CB 4.23Å; Y298-N335 HydrophobicContact CE1-CB 4.37Å; Y298-N335 HydrophobicContact CG-CB 3.82Å; N335-N337 PolarHBondContact O-N 2.82Å; N335-N337 PolarHBondContact OD1-N 3.3Å
336E62.7Low67.1Low179 Ų17994.4 Ų94.484%0.83646%0.462SS*.  trans-68.9-13.2175.8-66.5-148.3154.300113.3Q334 R338Q334-E336 PolarHBondContact O-N 3.42Å; E336-R338 PolarHBondContact O-N 3.19Å
337N56.7Low66.5Low54 Ų5496.9 Ų96.929%0.28948%0.478SS..  trans-99.380.5-179.7-76.3-23.3000112.2N335 K339 N344N335-N337 PolarHBondContact O-N 2.82Å; N335-N337 PolarHBondContact OD1-N 3.3Å; N337-K339 PolarHBondContact O-N 3.07Å; N337-N344 PolarHBondContact ND2-ND2 2.91Å
338R51.9Low66Low242 Ų24297.3 Ų97.391%0.91348%0.48SS*.SBendtrans-77.23.6166-83.6-171177.7-1730.3114.8E336E336-R338 PolarHBondContact O-N 3.19Å
339K53.6Low65.7Low211 Ų211102.3 Ų102.392%0.91750%0.503SS*.SBendtrans-135.210.7-169.4-78.1-172.1177.6-179.90118.4N337N337-K339 PolarHBondContact O-N 3.07Å
340G54.7Low65.6Low52 Ų52101 Ų10154%0.53650%0.496SS..  trans-119.5134.7175.400000112.2E342G340-E342 VanDerWaalsContact C-N 3.27Å; G340-E342 PolarHBondContact O-N 3.27Å
341K53.8Low65.5Low223 Ų223109 Ų10997%0.9753%0.531SS*.SBendtrans-82.66.8175.7-91.4-172.7177.6-1770114.1
342E53.5Low65.5Low157 Ų157107 Ų10773%0.73452%0.517SS*.SBendtrans-100.9136.4174.6-70.6-177.9171.900110G340 N344G340-E342 VanDerWaalsContact C-N 3.27Å; G340-E342 PolarHBondContact O-N 3.27Å; E342-N344 VanDerWaalsContact C-N 3.28Å; E342-N344 PolarHBondContact O-N 2.78Å
343P54.2Low65.6Low96 Ų96107.5 Ų107.562%0.62352%0.52SS*.  trans-64.794.2171.528-32.1000107.8F345P343-F345 HydrophobicContact CB-CE2 4.14Å; P343-F345 HydrophobicContact CB-CZ 4.34Å; P343-F345 HydrophobicContact CG-CE2 4.07Å; P343-F345 VanDerWaalsContact O-CD2 3.32Å; P343-F345 WeakPolarHBondContact O-CD2 3.25Å; P343-F345 PolarHBondContact O-N 2.75Å
344N54.9Low66.1Low72 Ų72106.4 Ų106.439%0.38551%0.513SS..  trans-74.497.1175-108.8-36.5000107.4N337 E342 R346N337-N344 PolarHBondContact ND2-ND2 2.91Å; E342-N344 VanDerWaalsContact C-N 3.28Å; E342-N344 PolarHBondContact O-N 2.78Å; N344-R346 HydrophobicContact CB-CG 4.31Å; N344-R346 PolarHBondContact O-N 2.88Å
345F61.2Low66.8Low103 Ų103101 Ų10145%0.45249%0.491SS..  trans-67.349.7168.1-63.1-77.9000111.3P292 E294 P343P292-F345 VanDerWaalsContact O-CD1 3.25Å; P292-F345 WeakPolarHBondContact O-CD1 3.17Å; E294-F345 HydrophobicContact CG-CE1 4.44Å; E294-F345 HydrophobicContact CG-CZ 4.22Å; P343-F345 HydrophobicContact CB-CE2 4.14Å; P343-F345 HydrophobicContact CB-CZ 4.34Å; P343-F345 HydrophobicContact CG-CE2 4.07Å; P343-F345 VanDerWaalsContact O-CD2 3.32Å; P343-F345 WeakPolarHBondContact O-CD2 3.25Å; P343-F345 PolarHBondContact O-N 2.75Å
346R69Low67.6Low153 Ų15397.9 Ų97.958%0.57747%0.474SS*.PPolyproline II helixtrans-69.1130.2176.2-76.7-171.1-178.8-171.60.4108.4N344N344-R346 HydrophobicContact CB-CG 4.31Å; N344-R346 PolarHBondContact O-N 2.88Å
347P74.1Confident68.6Low52 Ų5289.9 Ų89.934%0.33844%0.437SS..PPolyproline II helixtrans-67.6141.3178.828.7-34.4000110.5L289 I290 Y291L289-P347 HydrophobicContact CD1-CB 3.69Å; L289-P347 HydrophobicContact CD1-CG 4.35Å; L289-P347 HydrophobicContact CD2-CB 4.05Å; L289-P347 HydrophobicContact CG-CB 3.79Å; I290-P347 CarbonylContact O-C 3.52Å; I290-P347 WeakPolarHBondContact O-CA 3.32Å; Y291-P347 HydrophobicContact CD1-CB 4.01Å; Y291-P347 HydrophobicContact CE1-CB 3.71Å; Y291-P347 HydrophobicContact CE1-CG 4.23Å
348V75.1Confident69.9Low21 Ų2187.5 Ų87.513%0.12743%0.425CS..EExtended strand (participates in β ladder)trans-97119.7176.6-175.50000108.8I290 V333 L350I290-V348 PolarHBondContact N-O 2.88Å; I290-V348 PolarHBondContact O-N 3.25Å; V333-V348 HydrophobicContact CB-CG1 4.49Å; V333-V348 HydrophobicContact CG1-CG1 4.01Å; V333-V348 HydrophobicContact CG1-CG2 4.15Å; V333-V348 HydrophobicContact CG2-CG1 3.63Å; V333-V348 HydrophobicContact CG2-CG2 4.46Å; V348-L350 HydrophobicContact CG1-CD1 4.31Å; V348-L350 HydrophobicContact CG1-CD2 3.8Å; V348-L350 HydrophobicContact CG1-CG 3.83Å
349H79.3Confident71.2Confident110 Ų11077 Ų7751%0.50939%0.388SS..EExtended strand (participates in β ladder)trans-84.8124.2171.7-65.4-97.6000109.9L289 Y388L289-H349 WeakPolarHBondContact CD1-CE1 3.38Å; L289-H349 WeakPolarHBondContact CD1-ND1 3.36Å; H349-Y388 AromaticContact CE1-CD1 3.89Å; H349-Y388 AromaticContact CE1-CE1 3.78Å; H349-Y388 AromaticContact ND1-CD1 3.37Å; H349-Y388 WeakPolarHBondContact ND1-CD1 3.29Å; H349-Y388 AromaticContact ND1-CE1 3.11Å; H349-Y388 WeakPolarHBondContact ND1-CE1 3.38Å; H349-Y388 AromaticContact ND1-CZ 3.78Å
350L77.5Confident72.3Confident16 Ų1669 Ų698%0.08436%0.358CS..EExtended strand (participates in β ladder)trans-128136.8-179.6-64171.2000110P287 L288 I290 V330 P331 V348P287-L350 CarbonylContact C-O 3.6Å; P287-L350 WeakPolarHBondContact CA-O 3.35Å; L288-L350 PolarHBondContact N-O 3.08Å; L288-L350 PolarHBondContact O-N 2.82Å; I290-L350 HydrophobicContact CD1-CD1 3.4Å; I290-L350 VanDerWaalsContact CD1-CD1 3.4Å; I290-L350 HydrophobicContact CG1-CD1 3.99Å; V330-L350 HydrophobicContact CB-CD1 4.29Å; V330-L350 HydrophobicContact CG1-CD1 3.83Å; V330-L350 HydrophobicContact CG2-CD1 3.86Å; P331-L350 HydrophobicContact CG-CD2 3.79Å; V348-L350 HydrophobicContact CG1-CD1 4.31Å; V348-L350 HydrophobicContact CG1-CD2 3.8Å; V348-L350 HydrophobicContact CG1-CG 3.83Å
351K78.5Confident73Confident172 Ų17269.2 Ų69.275%0.74835%0.354SS*.EExtended strand (participates in β ladder)trans-104.8111.8162.9-67.9-173.9179.1-175.40106.9
352T78.3Confident73.9Confident19 Ų1959.3 Ų59.312%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-142.4152.7-175.4-167.70000110.4L286 L288 F328 L329 V354L286-T352 PolarHBondContact N-O 2.99Å; L286-T352 PolarHBondContact O-N 3.46Å; L288-T352 HydrophobicContact CD1-CG2 3.62Å; L288-T352 HydrophobicContact CG-CG2 4.27Å; F328-T352 HydrophobicContact CB-CG2 4.21Å; F328-T352 HydrophobicContact CD2-CG2 3.97Å; F328-T352 HydrophobicContact CG-CG2 4.39Å; L329-T352 PolarHBondContact O-OG1 3.35Å; T352-V354 PolarHBondContact O-N 2.81Å
353C80.4Confident74.7Confident73 Ų7354 Ų5449%0.49329%0.286SS..EExtended strand (participates in β ladder)trans-82116.9174.2-69.80000109.1I284I284-C353 WeakPolarHBondContact O-CA 3.25Å
354V82.4Confident75.1Confident5 Ų553.4 Ų53.43%0.0328%0.282CS..EExtended strand (participates in β ladder)trans-88.9120.7171.1-177.20000108.3A283 I284 L286 L288 I326 F328 T352 F356A283-V354 WeakPolarHBondContact CA-O 3.48Å; I284-V354 PolarHBondContact N-O 2.9Å; I284-V354 PolarHBondContact O-N 3.29Å; L286-V354 HydrophobicContact CB-CG2 4.06Å; L286-V354 HydrophobicContact CD1-CB 3.99Å; L286-V354 HydrophobicContact CD1-CG2 3.82Å; L286-V354 HydrophobicContact CG-CG2 4.32Å; L288-V354 HydrophobicContact CD1-CG2 4.1Å; I326-V354 HydrophobicContact CG2-CG1 3.45Å; I326-V354 VanDerWaalsContact CG2-CG1 3.45Å; F328-V354 HydrophobicContact CB-CB 4.44Å; F328-V354 HydrophobicContact CB-CG2 3.98Å; F328-V354 HydrophobicContact CD1-CG2 4.32Å; F328-V354 HydrophobicContact CG-CG2 4.28Å; T352-V354 PolarHBondContact O-N 2.81Å; V354-F356 HydrophobicContact CB-CE2 4.06Å; V354-F356 HydrophobicContact CG1-CD2 4.29Å; V354-F356 HydrophobicContact CG1-CE2 3.6Å; V354-F356 HydrophobicContact CG1-CZ 3.84Å
355T84.3Confident75.1Confident41 Ų4154 Ų5425%0.25229%0.29SS..EExtended strand (participates in β ladder)trans-98.4125-179.1-540000109.6H282 I326 S327 T357H282-T355 CarbonylContact O-C 3.56Å; H282-T355 WeakPolarHBondContact O-CA 3.49Å; I326-T355 CarbonylContact C-O 3.58Å; I326-T355 WeakPolarHBondContact CA-O 3.42Å; S327-T355 PolarHBondContact N-O 2.95Å; S327-T355 PolarHBondContact O-N 2.77Å; T355-T357 HydrophobicContact CG2-CG2 4.22Å
356F84Confident74.8Confident4 Ų454.5 Ų54.52%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-105.3128.7173.9-62.9-100.1000108.5L237 L241 S281 H282 I284 I326 V354 F363L237-F356 HydrophobicContact CD1-CE1 4.3Å; L241-F356 HydrophobicContact CD1-CE1 4.07Å; L241-F356 HydrophobicContact CD1-CZ 3.8Å; L241-F356 HydrophobicContact CD2-CE1 4.03Å; L241-F356 HydrophobicContact CD2-CZ 4.27Å; S281-F356 CarbonylContact C-O 3.57Å; S281-F356 VanDerWaalsContact CA-O 3.28Å; S281-F356 WeakPolarHBondContact CA-O 3.42Å; H282-F356 PolarHBondContact N-O 2.99Å; H282-F356 PolarHBondContact O-N 3.26Å; I284-F356 HydrophobicContact CD1-CD2 3.68Å; I284-F356 HydrophobicContact CD1-CE2 3.53Å; I284-F356 HydrophobicContact CD1-CZ 4.45Å; I326-F356 HydrophobicContact CD1-CE1 4.38Å; I326-F356 HydrophobicContact CG1-CD1 3.8Å; I326-F356 HydrophobicContact CG1-CE1 3.84Å; I326-F356 HydrophobicContact CG2-CE1 4.47Å; V354-F356 HydrophobicContact CB-CE2 4.06Å; V354-F356 HydrophobicContact CG1-CD2 4.29Å; V354-F356 HydrophobicContact CG1-CE2 3.6Å; V354-F356 HydrophobicContact CG1-CZ 3.84Å; F356-F363 HydrophobicContact CB-CE2 3.85Å; F356-F363 HydrophobicContact CB-CZ 4.25Å
357T83.5Confident73Confident11 Ų1154.3 Ų54.37%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-121.8123.9176.755.30000109.3L267 I280 L324 N325 T355L267-T357 HydrophobicContact CD1-CG2 4.2Å; I280-T357 WeakPolarHBondContact O-CA 3.42Å; L324-T357 WeakPolarHBondContact CA-O 3.24Å; N325-T357 WeakPolarHBondContact CB-OG1 3.11Å; N325-T357 PolarHBondContact N-O 3.35Å; N325-T357 PolarHBondContact O-N 3.45Å; N325-T357 PolarHBondContact O-OG1 3.42Å; T355-T357 HydrophobicContact CG2-CG2 4.22Å
358A83.4Confident71Confident5 Ų556.8 Ų56.84%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-154.9172.5177.200000110.7I279 I280 L324 I362 F363I279-A358 WeakPolarHBondContact CA-O 3.37Å; I280-A358 PolarHBondContact N-O 3.2Å; I280-A358 PolarHBondContact O-N 3.15Å; I280-A358 VanDerWaalsContact O-N 3.09Å; L324-A358 HydrophobicContact CB-CB 4.06Å; L324-A358 HydrophobicContact CD2-CB 3.97Å; L324-A358 HydrophobicContact CG-CB 4.07Å; A358-I362 HydrophobicContact CB-CB 4.22Å; A358-I362 HydrophobicContact CB-CD1 4.18Å; A358-F363 HydrophobicContact CB-CD2 3.61Å; A358-F363 HydrophobicContact CB-CE2 3.84Å
359T80.2Confident68.7Low20 Ų2062.3 Ų62.312%0.12335%0.351CS..  trans-70.7158.117478.40000111.5N277 Q322 A361 I362 F363N277-T359 HydrophobicContact CB-CG2 4.44Å; Q322-T359 VanDerWaalsContact CD-OG1 3.28Å; Q322-T359 PolarHBondContact NE2-OG1 3.41Å; Q322-T359 PolarHBondContact OE1-OG1 3.43Å; T359-A361 PolarHBondContact O-N 2.67Å; T359-A361 PolarHBondContact OG1-N 3.41Å; T359-I362 PolarHBondContact O-N 3.26Å; T359-F363 PolarHBondContact O-N 2.98Å
360P75.7Confident66Low45 Ų4565.1 Ų65.129%0.29237%0.366SS..THydrogen-bonded Turntrans-59.4-16.2175.522.4-33.8000114.4M278 I280 I362 F363 P364M278-P360 HydrophobicContact CB-CG 4.29Å; M278-P360 WeakPolarHBondContact O-CD 3.23Å; I280-P360 HydrophobicContact CD1-CB 3.7Å; I280-P360 HydrophobicContact CG1-CB 4.36Å; P360-I362 VanDerWaalsContact C-N 3.27Å; P360-I362 PolarHBondContact O-N 3.02Å; P360-F363 VanDerWaalsContact CA-O 3.3Å; P360-F363 WeakPolarHBondContact CA-O 3.3Å; P360-F363 CarbonylContact O-C 3.52Å; P360-P364 WeakPolarHBondContact O-CA 3.46Å
361A70.8Confident63.7Low55 Ų5568.1 Ų68.146%0.45539%0.389SS..THydrogen-bonded Turntrans-70.7-23.4176.100000113L319 T359L319-A361 HydrophobicContact CD2-CB 3.77Å; T359-A361 PolarHBondContact O-N 2.67Å; T359-A361 PolarHBondContact OG1-N 3.41Å
362I71.8Confident61.2Low15 Ų1564.8 Ų64.88%0.07739%0.387CS..THydrogen-bonded Turntrans-99.5-49.6177.1-57.3179.7000110.8I313 I315 Q322 L324 A358 T359 P360 P364I313-I362 HydrophobicContact CD1-CG2 3.63Å; I315-I362 HydrophobicContact CD1-CB 4.27Å; I315-I362 HydrophobicContact CD1-CG1 4.31Å; I315-I362 HydrophobicContact CD1-CG2 3.57Å; Q322-I362 HydrophobicContact CB-CD1 3.72Å; Q322-I362 HydrophobicContact CB-CG1 4.38Å; Q322-I362 HydrophobicContact CG-CD1 3.73Å; Q322-I362 HydrophobicContact CG-CG1 4.36Å; L324-I362 HydrophobicContact CD1-CD1 4.23Å; L324-I362 HydrophobicContact CD2-CB 4.37Å; L324-I362 HydrophobicContact CD2-CD1 3.83Å; L324-I362 HydrophobicContact CD2-CG2 3.43Å; L324-I362 VanDerWaalsContact CD2-CG2 3.43Å; L324-I362 HydrophobicContact CG-CD1 3.69Å; L324-I362 HydrophobicContact CG-CG2 4.43Å; A358-I362 HydrophobicContact CB-CB 4.22Å; A358-I362 HydrophobicContact CB-CD1 4.18Å; T359-I362 PolarHBondContact O-N 3.26Å; P360-I362 VanDerWaalsContact C-N 3.27Å; P360-I362 PolarHBondContact O-N 3.02Å; I362-P364 WeakPolarHBondContact O-CD 3.22Å
363F70.4Confident58.7Low46 Ų4673.7 Ų73.720%0.20242%0.42CS..SBendtrans-110.595.3174.3-64.6-50.5000108.4I280 H282 L324 F356 A358 T359 P360I280-F363 WeakPolarHBondContact CD1-O 3.39Å; H282-F363 AromaticContact CD2-CG 3.87Å; L324-F363 HydrophobicContact CD2-CE2 3.83Å; L324-F363 HydrophobicContact CD2-CZ 3.92Å; F356-F363 HydrophobicContact CB-CE2 3.85Å; F356-F363 HydrophobicContact CB-CZ 4.25Å; A358-F363 HydrophobicContact CB-CD2 3.61Å; A358-F363 HydrophobicContact CB-CE2 3.84Å; T359-F363 PolarHBondContact O-N 2.98Å; P360-F363 VanDerWaalsContact CA-O 3.3Å; P360-F363 WeakPolarHBondContact CA-O 3.3Å; P360-F363 CarbonylContact O-C 3.52Å
364P62.2Low56.2Low84 Ų8477.7 Ų77.755%0.54543%0.429SS..  trans-57.4145.3173.523.9-31.7000108.9P360 I362 I366P360-P364 WeakPolarHBondContact O-CA 3.46Å; I362-P364 WeakPolarHBondContact O-CD 3.22Å; P364-I366 PolarHBondContact O-N 3.17Å
365P55.9Low53.5Low85 Ų8588.5 Ų88.555%0.55247%0.469SS*.  trans-57.9106.6172.824-30.7000107.1I280 L367I280-P365 HydrophobicContact CD1-CB 3.74Å; I280-P365 HydrophobicContact CD1-CG 4.11Å; P365-L367 PolarHBondContact O-N 3.01Å
366I54.4Low50.6Low112 Ų11294.3 Ų94.357%0.57450%0.498SS*.  trans-63.7109.7171.8-53.8171.5000103.7P364 C368P364-I366 PolarHBondContact O-N 3.17Å; I366-C368 PolarHBondContact O-N 3.01Å
367L31.2Very low47.9Very low150 Ų15099.4 Ų99.479%0.78553%0.53SS*.  trans-62.487.5158.7-130.8119.8000103.5P365 I369P365-L367 PolarHBondContact O-N 3.01Å; L367-I369 HydrophobicContact CD2-CG1 4.18Å; L367-I369 PolarHBondContact O-N 2.83Å
368C32.2Very low45.1Very low104 Ų104105.7 Ų105.770%0.70356%0.563SS**  trans-63.378161.4-76.50000104.8I366 M370I366-C368 PolarHBondContact O-N 3.01Å; C368-M370 VanDerWaalsContact C-N 3.28Å; C368-M370 PolarHBondContact O-N 2.95Å
369I26.9Very low42.4Very low137 Ų137111.9 Ų111.970%0.70359%0.591SS**  trans-45.8113145.2-60.9170.2000101.9L367 S371L367-I369 HydrophobicContact CD2-CG1 4.18Å; L367-I369 PolarHBondContact O-N 2.83Å; I369-S371 PolarHBondContact O-N 3.19Å
370M22.9Very low40.2Very low168 Ų168116.2 Ų116.283%0.82862%0.619SS**  trans-50.586.1-175.8-70.3177.359.900109.5C368 S372C368-M370 VanDerWaalsContact C-N 3.28Å; C368-M370 PolarHBondContact O-N 2.95Å; M370-S372 PolarHBondContact O-N 3.45Å
371S27.9Very low37.7Very low80 Ų80124.2 Ų124.256%0.55964%0.644SS**  trans-86.173.5170.1-168.70000104.9I369 Y373I369-S371 PolarHBondContact O-N 3.19Å; S371-Y373 PolarHBondContact O-N 3.28Å
372S26.7Very low35.5Very low101 Ų101128.5 Ų128.571%0.70666%0.658SS**THydrogen-bonded Turntrans-6823.2167.7-160.70000111.6M370M370-S372 PolarHBondContact O-N 3.45Å
373Y26.3Very low33.2Very low206 Ų206137.8 Ų137.881%0.80869%0.694SS**THydrogen-bonded Turntrans-130.418.6-172.7-67.3-72.5000113.3S371 W375S371-Y373 PolarHBondContact O-N 3.28Å; Y373-W375 VanDerWaalsContact C-N 3.34Å
374F27.3Very low31Very low158 Ų158144 Ų14469%0.69372%0.721SS**SBendtrans-90.710173.1-137.1-95.1000114.7P224P224-F374 HydrophobicContact CG-CE2 4.42Å
375W25Very low29.1Very low231 Ų231146.9 Ų146.988%0.87573%0.727SS**SBendtrans-131.8135.1169.5-71.694.2000108.9Y373Y373-W375 VanDerWaalsContact C-N 3.34Å
376L24.6Very low27.6Very low163 Ų163150.9 Ų150.985%0.85373%0.732SS**  trans93.175.1-179.1-59.3148.5000116
377V26.3Very low26.2Very low112 Ų112151.7 Ų151.768%0.67973%0.732SS**  trans-141.8115.2130.6-175.50000109H379V377-H379 PolarHBondContact O-N 3.42Å
378D25Very low26Very low143 Ų143149.4 Ų149.477%0.76571%0.713SS**  trans-49.2118.8170-65.1-65.1000112.6
379H26.2Very low26.3Very low135 Ų135147.5 Ų147.563%0.62569%0.692SS**  trans-135.5103153.1-99.2-72.4000108.9V377 W381V377-H379 PolarHBondContact O-N 3.42Å; H379-W381 PolarHBondContact O-N 2.85Å
380P34.1Very low26.6Very low111 Ų111147.7 Ų147.772%0.72168%0.684SS**THydrogen-bonded Turntrans-78.831.4-169.331.6-35.5000114.7
381W23.8Very low27.1Very low213 Ų213140 Ų14081%0.80765%0.647SS**THydrogen-bonded Turntrans-124.31.9-176.9-77.199.8000116.4H379H379-W381 PolarHBondContact O-N 2.85Å
382L24.2Very low27.1Very low145 Ų145145 Ų14576%0.75965%0.654SS**  trans-103.993.8167.8-78.6157000108.2F384L382-F384 PolarHBondContact O-N 3.2Å
383Y23.7Very low27.3Very low210 Ų210141 Ų14182%0.82462%0.624SS**  trans-51.697.6158-81.2-97000106.9H385Y383-H385 PolarHBondContact O-N 2.79Å
384F23.5Very low27.5Very low176 Ų176138 Ų13877%0.77262%0.622SS**  trans-59.497.4159.6-87.4-91.9000104.9L382 Y386L382-F384 PolarHBondContact O-N 3.2Å; F384-Y386 WeakPolarHBondContact O-CD2 3.4Å; F384-Y386 PolarHBondContact O-N 2.94Å
385H21.9Very low27.5Very low145 Ų145137 Ų13767%0.67162%0.619SS**  trans-53.3105155.5-118-115.3000104.2Y383 F387Y383-H385 PolarHBondContact O-N 2.79Å; H385-F387 HydrophobicContact CB-CD2 4.05Å; H385-F387 HydrophobicContact CB-CE2 3.78Å; H385-F387 HydrophobicContact CB-CZ 4.37Å; H385-F387 WeakPolarHBondContact O-CD2 3.41Å; H385-F387 PolarHBondContact O-N 3.22Å
386Y24.7Very low27.7Very low169 Ų169132 Ų13266%0.66361%0.605SS**  trans-60.989.5167.6-73.8-90.8000105.5F384 Y388F384-Y386 WeakPolarHBondContact O-CD2 3.4Å; F384-Y386 PolarHBondContact O-N 2.94Å; Y386-Y388 VanDerWaalsContact C-N 3.33Å; Y386-Y388 WeakPolarHBondContact O-CD2 3.45Å; Y386-Y388 PolarHBondContact O-N 3.4Å
387F25.7Very low27.8Very low129 Ų129130.3 Ų130.357%0.56659%0.591SS**  trans-68.5101.2167.8-77.7-82.7000105.6H385 Y389H385-F387 HydrophobicContact CB-CD2 4.05Å; H385-F387 HydrophobicContact CB-CE2 3.78Å; H385-F387 HydrophobicContact CB-CZ 4.37Å; H385-F387 WeakPolarHBondContact O-CD2 3.41Å; H385-F387 PolarHBondContact O-N 3.22Å; F387-Y389 HydrophobicContact CB-CD2 4.39Å; F387-Y389 HydrophobicContact CB-CE1 4.19Å; F387-Y389 HydrophobicContact CB-CE2 3.6Å; F387-Y389 VanDerWaalsContact CB-CZ 3.48Å; F387-Y389 WeakPolarHBondContact CB-OH 3.5Å; F387-Y389 VanDerWaalsContact O-CD2 3.25Å; F387-Y389 WeakPolarHBondContact O-CD2 3.29Å; F387-Y389 VanDerWaalsContact O-CE2 3.25Å; F387-Y389 WeakPolarHBondContact O-CE2 3.37Å
388Y26.1Very low27.9Very low102 Ų102131.4 Ų131.440%0.459%0.586SS.*PPolyproline II helixtrans-75.5121.1163.9-69.9-82.8000106.7H349 Y386H349-Y388 AromaticContact CE1-CD1 3.89Å; H349-Y388 AromaticContact CE1-CE1 3.78Å; H349-Y388 AromaticContact ND1-CD1 3.37Å; H349-Y388 WeakPolarHBondContact ND1-CD1 3.29Å; H349-Y388 AromaticContact ND1-CE1 3.11Å; H349-Y388 WeakPolarHBondContact ND1-CE1 3.38Å; H349-Y388 AromaticContact ND1-CZ 3.78Å; Y386-Y388 VanDerWaalsContact C-N 3.33Å; Y386-Y388 WeakPolarHBondContact O-CD2 3.45Å; Y386-Y388 PolarHBondContact O-N 3.4Å
389Y39.6Very low28.1Very low64 Ų64130.6 Ų130.625%0.25158%0.575SS.*EExtended strand (participates in β ladder)trans-94.8135.1178.9-63.5-85000110L238 L289 F387L238-Y389 HydrophobicContact CB-CD1 4.27Å; L238-Y389 HydrophobicContact CB-CE1 3.96Å; L238-Y389 HydrophobicContact CD1-CE1 4.05Å; L238-Y389 HydrophobicContact CD1-CE2 4.16Å; L238-Y389 HydrophobicContact CG-CE1 4.47Å; L289-Y389 PolarHBondContact N-O 2.99Å; F387-Y389 HydrophobicContact CB-CD2 4.39Å; F387-Y389 HydrophobicContact CB-CE1 4.19Å; F387-Y389 HydrophobicContact CB-CE2 3.6Å; F387-Y389 VanDerWaalsContact CB-CZ 3.48Å; F387-Y389 WeakPolarHBondContact CB-OH 3.5Å; F387-Y389 VanDerWaalsContact O-CD2 3.25Å; F387-Y389 WeakPolarHBondContact O-CD2 3.29Å; F387-Y389 VanDerWaalsContact O-CE2 3.25Å; F387-Y389 WeakPolarHBondContact O-CE2 3.37Å
390Y33.1Very low28.2Very low140 Ų140130.3 Ų130.355%0.54957%0.572SS.*EExtended strand (participates in β ladder)trans-85.6120.7-173.7-56.9-72.8000110.1L289 Y291L289-Y390 HydrophobicContact CD2-CD1 3.77Å; L289-Y390 HydrophobicContact CD2-CE1 3.63Å; Y291-Y390 AromaticContact CE2-CD1 3.68Å; Y291-Y390 HydrophobicContact CE2-CD1 3.68Å; Y291-Y390 HydrophobicContact CE2-CE1 4.29Å; Y291-Y390 WeakPolarHBondContact OH-CE1 3.25Å
391V32.6Very low27.8Very low8 Ų8131.7 Ų131.75%0.04856%0.561CS.*EExtended strand (participates in β ladder)trans-111.2109.5165.7179.90000106.7F246 L288 L289 L393F246-V391 HydrophobicContact CD2-CG1 3.66Å; F246-V391 HydrophobicContact CE2-CG1 3.62Å; F246-V391 HydrophobicContact CE2-CG2 4.48Å; L288-V391 HydrophobicContact CD2-CG2 4.37Å; L289-V391 PolarHBondContact O-N 2.81Å; V391-L393 HydrophobicContact CG1-CD2 4.12Å
392R28.8Very low28.1Very low183 Ų183125.5 Ų125.569%0.69154%0.542SS*.EExtended strand (participates in β ladder)trans-80.4121.7169.2178172.8-100.8-177.6-7.6107.2D394R392-D394 VanDerWaalsContact CD-OD1 3.29Å; R392-D394 WeakPolarHBondContact CD-OD1 3.32Å; R392-D394 WeakPolarHBondContact CG-OD1 3.25Å
393L29.7Very low28.4Very low18 Ų18123.8 Ų123.89%0.09452%0.524CS..  trans-89.8106166.9-58.4179.5000105.7I290 F296 L304 V391I290-L393 HydrophobicContact CG2-CD1 3.4Å; I290-L393 VanDerWaalsContact CG2-CD1 3.4Å; I290-L393 HydrophobicContact CG2-CG 3.89Å; F296-L393 HydrophobicContact CD2-CD1 4.48Å; L304-L393 HydrophobicContact CD2-CD1 4.46Å; L304-L393 HydrophobicContact CD2-CD2 3.25Å; L304-L393 HydrophobicContact CD2-CG 4.48Å; V391-L393 HydrophobicContact CG1-CD2 4.12Å
394D32Very low28.9Very low142 Ų142116 Ų11676%0.75950%0.497SS*.  trans-860167.9-75.2-28.7000109.5N293 R392N293-D394 PolarHBondContact ND2-OXT 3.48Å; R392-D394 VanDerWaalsContact CD-OD1 3.29Å; R392-D394 WeakPolarHBondContact CD-OD1 3.32Å; R392-D394 WeakPolarHBondContact CG-OD1 3.25Å

Retrieved 394 of 394 residues in 96.7 ms (Link to these results)