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Poly(A) RNA polymerase gld-2 homolog B

Cytoplasmic poly(A) RNA polymerase that adds successive AMP monomers to the 3'-end of specific maternal RNAs (bcd, Tl, and tor), forming a poly(A) tail, during late oogenesis and early embryogenesis1,2,3. In contrast to the canonical nuclear poly(A) RNA polymerase, it only adds poly(A) to selected cytoplasmic mRNAs4,5. Required for localization of mRNAs to both poles of the egg, to recruit or maintain known centrosomal proteins with two types of microtubule organizing centers (MTOCs): the central MTOC that forms between the meiosis II tandem spindles and the centrosomes of the mitotic spindle6. Required at the final stage of oogenesis for meiosis I metaphase arrest and for progression beyond this stage7,8,9. Functions with the RNA-binding protein Dcr-2 to promote cytoplasmic polyadenylation and translational activation of certain mRNAs such as Tl and r2d210. As a consequence, is involved in regulating Toll immune signaling and promoting resistance to fungal infection11.

AlphaFold DB , UniProt , Accession Q9VYS4, Species DROME (Drosophila melanogaster, Fruit fly), Gene wisp, Length 1,373 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
1M31.6Very low30Very low222 Ų222159.7 Ų159.7100%1.09484%0.836SS**  0165.20-62175.2-177.800107.8
2F32.1Very low29.8Very low178 Ų178157.5 Ų157.578%0.78182%0.823SS**  trans48.372.3173.2-53.1-69.6000115.2
3S28.4Very low29.4Very low124 Ų124161.2 Ų161.287%0.86783%0.829SS**  -34.9113.986.6-170.20000117.6
4T32.6Very low29.3Very low118 Ų118156.7 Ų156.772%0.72483%0.828SS**  trans-147.3150.6153.5-18.20000109.9
5R28Very low29.5Very low232 Ų232153.1 Ų153.188%0.87583%0.83SS**  trans-79.7143.9178.4-57.4166.7178.8158.6-3.8110.8
6I32.7Very low29.6Very low171 Ų171152.8 Ų152.888%0.87783%0.827SS**  trans-124.8120.1136.3-63-176.4000107.3
7S29.6Very low29.8Very low122 Ų122150.8 Ų150.885%0.85382%0.821SS**  trans-123.1109.9165.71690000104.8
8G28.1Very low29.9Very low50 Ų50146.9 Ų146.952%0.51581%0.812SS.*  trans-173.6114.3-174.100000111.4
9D29.9Very low30.1Very low156 Ų156148.7 Ų148.783%0.83481%0.814SS**  trans52.9103.7142.6-47.4-32.3000120.1
10M28.2Very low30.4Very low179 Ų179147.3 Ų147.388%0.88282%0.815SS**  -152.882.1102.5-100.4-177.277.700110.4
11K28.8Very low30.5Very low205 Ų205145.4 Ų145.489%0.89181%0.813SS**  trans-99.2121.9158.5-80.6-176.1174.7-1770108
12I27.1Very low30.7Very low133 Ų133141.1 Ų141.168%0.68280%0.799SS**  trans-137.9142.1162.1-50.9-177.2000107.8
13F25.4Very low30.8Very low205 Ų205138.9 Ų138.990%0.89980%0.799SS**SBendtrans61.473.4-176.5-67.1-64000117.4
14A28.1Very low31.1Very low99 Ų99137.9 Ų137.982%0.81880%0.799SS**  trans-144.6150.2143.100000110.2
15A31.3Very low31.1Very low103 Ų103138.7 Ų138.785%0.85180%0.804SS**  trans72.7118.9167.300000119.8
16D32.2Very low31.4Very low148 Ų148133.9 Ų133.979%0.79181%0.805SS**  -159.4154.8125.4-136.8-4.9000105.7
17V31.9Very low31.2Very low118 Ų118133 Ų13372%0.71580%0.801SS**  cis-132.3117.3-0.4-178.90000103.5
18A32.6Very low31.5Very low81 Ų81133.4 Ų133.467%0.66980%0.799SS**  53.5147.577.800000113.5
19E33.6Very low31.6Very low182 Ų182135.5 Ų135.585%0.8581%0.806SS**  cis-159.6156.5-19.6-140.3-169.6-17700108.4
20S34.6Very low31.6Very low120 Ų120134.7 Ų134.784%0.83981%0.806SS**  trans178.6145.7133.935.10000112.5
21S34.3Very low31.8Very low108 Ų108133.9 Ų133.976%0.75580%0.8SS**  trans-107-176-179.157.80000111
22V35.2Very low31.9Very low132 Ų132131.4 Ų131.480%0.879%0.792SS**  -162.7153.271.9163.20000111
23T33.5Very low32.1Very low130 Ų130133.7 Ų133.780%0.79880%0.799SS**  trans-85.8154.2179.550.70000115.6
24A36.1Very low32.3Very low104 Ų104132.3 Ų132.386%0.8680%0.796SS**  trans-151.5147.8150.600000111.4
25T32Very low32.5Very low135 Ų135132 Ų13283%0.82879%0.788SS**  trans-130.2145.7-174.450.90000112.4
26C33.6Very low32.5Very low131 Ų131134.1 Ų134.189%0.88578%0.78SS**  trans-167.9161.2139.2-117.40000113.3
27N29.9Very low32.7Very low151 Ų151134.3 Ų134.381%0.80778%0.776SS**  trans-89.1159.2179.1-61.9-47000112.1
28T35.5Very low32.8Very low131 Ų131135.9 Ų135.980%0.80478%0.78SS**  173.1142.7116.2-72.10000113.6
29S30.6Very low33.1Very low95 Ų95138.3 Ų138.366%0.66478%0.777SS**  trans11.1120.2170.467.20000123.4
30V30.1Very low33.1Very low138 Ų138138.6 Ų138.684%0.83678%0.776SS**  28104.8120.8-168.70000118.5
31Q30.7Very low33.2Very low162 Ų162141.4 Ų141.476%0.75777%0.768SS**  -170.9146.2118.6-107.2-172.153.200114.3
32Q31Very low33.2Very low153 Ų153140.9 Ų140.972%0.71576%0.76SS**  trans65.5131.5156.2-64-165.93100123.7
33Q31.5Very low33.1Very low181 Ų181144.9 Ų144.985%0.84676%0.761SS**  trans77.2157.5154.6-68.4-172.38.300120.7
34Q30.9Very low33.1Very low177 Ų177146.9 Ų146.983%0.82776%0.764SS**  trans-139.7168.8-157.5-60.2175-29.600110.1
35S30.6Very low32.9Very low92 Ų92146.8 Ų146.864%0.64376%0.757SS**  trans73.2149.1158.2-63.90000116.4
36Q32.4Very low32.9Very low147 Ų147145.5 Ų145.569%0.68776%0.759SS**  cis-159.8140.7-6.4-120.5165.372.100111.6
37Q36Very low32.9Very low153 Ų153142.7 Ų142.772%0.71575%0.753SS**  trans53170.1136.3-74.1-178.131.800122.9
38L34.6Very low33.2Very low150 Ų150141.4 Ų141.479%0.78576%0.756SS**  trans74158161.8-67.6139.2000115
39E37.6Very low33.4Very low132 Ų132141.2 Ų141.262%0.61776%0.757SS**  cis-127.4155.216.7-76-164.7129.100115.1
40F33.9Very low33.4Very low189 Ų189142 Ų14283%0.82976%0.762SS**SBend-134.379.6118.5-132.8-89.6000111.7
41R36.3Very low33.7Very low178 Ų178140.3 Ų140.367%0.67276%0.757SS**  trans66.6138.2138.2-87.8-178177.4-171.90.1120
42T34.4Very low33.9Very low97 Ų97142.9 Ų142.960%0.59577%0.765SS**  cis-156.9148.96.7-30.10000113.5
43R33.1Very low33.8Very low217 Ų217141.6 Ų141.682%0.81977%0.773SS**  trans78118.2146.9-88.5170.2-167.1-164.71.6122.6
44M33.5Very low33.8Very low172 Ų172136.3 Ų136.385%0.84777%0.768SS**  trans77.7137.4133.4-55.9-96.8-88.100119.2
45S32.1Very low33.7Very low102 Ų102136.9 Ų136.971%0.71377%0.77SS**  cis-166.2141.3-20.7-166.60000111.2
46A32.7Very low33.6Very low107 Ų107138.8 Ų138.888%0.88478%0.782SS**  trans54.9150.3161.800000120.6
47G34.2Very low33.5Very low72 Ų72139 Ų13974%0.74278%0.783SS**  trans175.9-60.6172.500000116
48S34.9Very low33.1Very low124 Ų124139.6 Ų139.687%0.86779%0.79SS**  trans67.8159.8177.3-74.90000118.6
49P39.4Very low32.9Very low127 Ų127141 Ų14183%0.82579%0.789SS**  trans-132.7177.7-151.343.1-27.5000116.3
50S32.3Very low32.5Very low113 Ų113144.5 Ų144.579%0.7980%0.803SS**  trans-158155.2148.971.20000115.9
51S36.4Very low32.4Very low102 Ų102138.8 Ų138.871%0.71380%0.797SS**  trans87.8104.6156.278.60000122.3
52K34.2Very low32Very low215 Ų215139.8 Ų139.894%0.93581%0.806SS**  trans73.2149.5139.4-64.8180178.7176.70120.1
53S28.5Very low31.8Very low126 Ų126146.1 Ų146.188%0.88182%0.821SS**  trans-111.7146.5-163.646.50000113.3
54G31.5Very low31.9Very low71 Ų71142 Ų14273%0.73282%0.815SS**  trans-136.4122.2171.800000111.4C56G54-C56 PolarHBondContact O-N 3.25Å
55Q28.8Very low31.9Very low189 Ų189139.3 Ų139.388%0.88380%0.804SS**  trans-79.4102.8174.8-73.4179.1-53.800110.7H57Q55-H57 PolarHBondContact O-N 3.38Å
56C29.8Very low31.8Very low131 Ų131142.5 Ų142.589%0.88581%0.805SS**  trans-76.374.9169.4-74.60000111.4G54 L58G54-C56 PolarHBondContact O-N 3.25Å; C56-L58 PolarHBondContact O-N 3.28Å; C56-L58 VanDerWaalsContact O-N 3.08Å
57H28.9Very low31.7Very low153 Ų153144 Ų14471%0.70880%0.803SS**  trans-68.4101.1171.1-138.2-52.1000109Q55 K59Q55-H57 PolarHBondContact O-N 3.38Å; H57-K59 VanDerWaalsContact C-N 3.26Å; H57-K59 PolarHBondContact O-N 3.46Å
58L29.1Very low31.5Very low164 Ų164144.2 Ų144.286%0.85980%0.799SS**  trans-69.182.8175.5-104.7161.9000110.3C56 F60C56-L58 PolarHBondContact O-N 3.28Å; C56-L58 VanDerWaalsContact O-N 3.08Å; L58-F60 PolarHBondContact O-N 3.4Å
59K29.1Very low31.2Very low179 Ų179146.2 Ų146.278%0.77880%0.8SS**  trans-65116.5172.8-73.6176.8176.6172.80109.1H57 G61H57-K59 VanDerWaalsContact C-N 3.26Å; H57-K59 PolarHBondContact O-N 3.46Å; K59-G61 PolarHBondContact O-N 3.09Å
60F29.1Very low30.9Very low207 Ų207146.9 Ų146.991%0.90880%0.795SS**  trans-63.8104.6163.6-92.7-90.4000109.5L58 K62L58-F60 PolarHBondContact O-N 3.4Å; F60-K62 PolarHBondContact O-N 3.44Å
61G31.7Very low30.9Very low68 Ų68147 Ų14770%0.70179%0.786SS**  trans-71.1116.3-179.700000111.4K59 Y63K59-G61 PolarHBondContact O-N 3.09Å; G61-Y63 PolarHBondContact O-N 3.37Å
62K28.5Very low30.5Very low200 Ų200154.2 Ų154.287%0.8780%0.798SS**  trans-47.6120.7178.7-59.1168.6-178.91760112.4F60F60-K62 PolarHBondContact O-N 3.44Å
63Y30.4Very low30.3Very low230 Ų230153.1 Ų153.190%0.90280%0.796SS**  trans-113.6130.2143.4-94.6-88.2000107.6G61G61-Y63 PolarHBondContact O-N 3.37Å
64N34.4Very low30.4Very low129 Ų129153.4 Ų153.469%0.6979%0.792SS**  trans-147160.5-173-165.718.5000111.5
65N34.1Very low30.3Very low116 Ų116157.5 Ų157.562%0.6280%0.797SS**  trans63.994.1166.6-65.1-28.1000118
66K31Very low30.3Very low169 Ų169154 Ų15474%0.73579%0.794SS**SBendtrans-15747.1138.9-112.5173-170.3170.90113.1E153K66-E153 IonicContact NZ-OE1 2.81Å; K66-E153 PolarHBondContact NZ-OE1 3.04Å
67T29.7Very low30.2Very low138 Ų138153 Ų15385%0.84779%0.788SS**SBendtrans-169.583.1154.4-69.60000108.8
68A29.7Very low30.5Very low78 Ų78153.9 Ų153.965%0.64579%0.791SS**  trans-162.278173.600000109.6
69N29.1Very low30.4Very low166 Ų166152.1 Ų152.189%0.88879%0.793SS**  trans-158.255.1174.9-111.7-17.6000112.7
70L33.6Very low30.6Very low140 Ų140148.6 Ų148.673%0.73379%0.791SS**SBendtrans-150.8143.8159-98135.8000105.9
71L31Very low30.6Very low115 Ų115146.2 Ų146.260%0.60279%0.787SS**SBendtrans62.368.5-167.4-61.479.6000116.5Q485L71-Q485 VanDerWaalsContact CG-NE2 3.29Å
72R28.1Very low30.6Very low254 Ų254147.8 Ų147.896%0.95879%0.788SS**  trans-164.176.9141.7-112.3177.6-162.6-1254.6110.9
73Q30.4Very low30.8Very low193 Ų193143.3 Ų143.390%0.90278%0.782SS**  trans-148.551.2176-153.8177.49.100114.4
74V31.3Very low30.9Very low131 Ų131137 Ų13779%0.79477%0.771SS**SBendtrans-140.7151.5151.9-148.80000107.9
75N27.7Very low30.7Very low157 Ų157137.3 Ų137.384%0.8477%0.773SS**SBendtrans64.872.1171.7-56.7-14.8000117.1
76S29.2Very low30.6Very low116 Ų116137.7 Ų137.781%0.81178%0.78SS**  174.2123.6103.8-172.50000111
77C29.2Very low30.6Very low111 Ų111134 Ų13475%0.7578%0.775SS**  trans-147.9110.3169.5-88.50000110.3
78H33.2Very low30.6Very low170 Ų170133.8 Ų133.879%0.78777%0.769SS**  trans56.2102.8152.4-54.495.8000118.8
79S27.1Very low30.9Very low128 Ų128135.9 Ų135.990%0.89577%0.769SS**  trans-70.7131.7157.5-48.40000111.1
80S33.3Very low31Very low104 Ų104134 Ų13473%0.72776%0.759SS**  trans-159.9106.6150.437.20000113.5
81N30.5Very low31Very low157 Ų157133.9 Ų133.984%0.8476%0.759SS**  trans65.7139.6144.5-68.44.4000123.5
82S31.9Very low31Very low101 Ų101137.1 Ų137.171%0.70677%0.771SS**  trans78.991.9145.2-58.70000120.7
83S31.3Very low31.2Very low106 Ų106129.4 Ų129.474%0.74176%0.762SS**  30.3129.3113.3650000118.1
84S32.3Very low31.3Very low98 Ų98127.8 Ų127.869%0.68576%0.758SS**  cis-173.5168.336.650.10000113.5
85N30.4Very low31.5Very low135 Ų135131.4 Ų131.472%0.72276%0.763SS**  trans55.4117142.5-71.46.3000121.8
86T31.9Very low31.6Very low125 Ų125127.1 Ų127.177%0.76776%0.755SS**  54.5142.9128.960.40000121.5
87S31.4Very low31.8Very low90 Ų90129.7 Ų129.763%0.62975%0.754SS**  cis-172.9170.5-9.350.60000110.4
88N31.1Very low31.9Very low135 Ų135131.6 Ų131.672%0.72275%0.752SS**  trans69.7137.4144.6-74.26.2000122.2
89N34Very low31.9Very low121 Ų121130.8 Ų130.865%0.64775%0.749SS**  trans88.894.1138.5-66.60.7000122.4
90N31.6Very low31.9Very low128 Ų128133 Ų13368%0.68475%0.745SS**  81.1161.1108.6-59.8-10.3000121.7
91N34.2Very low31.9Very low136 Ų136132.6 Ų132.673%0.72774%0.74SS**  trans71.7109.3171.2-55.9-4.5000114.4
92E30.2Very low31.7Very low184 Ų184131.4 Ų131.486%0.8673%0.733SS**  64.3112.269.9-67.4-162.7134.100114
93A33.6Very low31.5Very low92 Ų92133.7 Ų133.776%0.7673%0.732SS**  179.2109.9112.900000113.8
94I32Very low31.4Very low159 Ų159139 Ų13982%0.81574%0.737SS**  32.4134.8126.1-44168000119.6
95K35.1Very low31Very low207 Ų207139.7 Ų139.790%0.974%0.741SS**  trans106.6134.2168-61.8167.5-172.1171.50113.2
96G30.3Very low30.9Very low66 Ų66140.9 Ų140.968%0.6875%0.748SS**  cis141.7156.3-4.800000112.7
97Q33.5Very low30.6Very low170 Ų170138.8 Ų138.879%0.79474%0.738SS**  trans75.5120.3179.3-57.2-177.5-10.400114.5
98Q31.9Very low30.6Very low151 Ų151141.4 Ų141.471%0.70675%0.745SS**  76.4146.688.1-68.5-178.227.900114.4
99Q32.4Very low30.4Very low154 Ų154141.7 Ų141.772%0.7275%0.746SS**  cis-112.3165.1-13.8-69.797.334.600108.8
100Q26.7Very low30Very low173 Ų173140.1 Ų140.181%0.80875%0.745SS**  cis64.6142.944.8-69.3-80-500113.4
101P34.6Very low30Very low96 Ų96142.4 Ų142.462%0.62375%0.751SS**  -142.1-147.9-124.133.1-6.3000113.9
102L26.4Very low29.7Very low133 Ų133140 Ų14070%0.69675%0.745SS**  trans98.6149.4154.2-62.1171.1000120.9
103H27.7Very low29.5Very low148 Ų148140.7 Ų140.769%0.68574%0.74SS**  trans41.9133155.3-61.4-60.9000119.7
104Y27.6Very low29.4Very low217 Ų217141.8 Ų141.885%0.85175%0.749SS**  -160161.266.1-115.9-89000114.2
105C23.6Very low29.3Very low113 Ų113142.4 Ų142.476%0.76474%0.741SS**  trans-101.5137163.4-540000109.6
106N28.3Very low29.2Very low161 Ų161142.3 Ų142.386%0.86174%0.741SS**  trans-159.6160.4139.5-142.6-15000113.6
107S26.8Very low29.2Very low81 Ų81146 Ų14657%0.56674%0.738SS**  trans-67.8144.9165.8174.80000111.4
108N30.3Very low29.2Very low144 Ų144148.3 Ų148.377%0.7774%0.741SS**  -177.5138.5111.5-90.3-19.1000115.4
109N27.4Very low29.2Very low141 Ų141149.2 Ų149.275%0.75474%0.743SS**  trans20.9127.4143.5-88-15.4000121.8
110S26.8Very low29Very low89 Ų89145.1 Ų145.162%0.62274%0.743SS**  88.5143.4129.8-61.20000120.5
111H29.8Very low29.1Very low176 Ų176145.6 Ų145.682%0.81575%0.75SS**  trans64.6143.1167.4-61-64.1000118.3
112S27.7Very low28.9Very low85 Ų85144.6 Ų144.659%0.59476%0.758SS**  cis171.7147.9-39.5450000107.4
113W27.7Very low29Very low198 Ų198145.8 Ų145.875%0.7577%0.765SS**  trans75.6106.9167.7-65.419.7000118.9R115W113-R115 HydrophobicContact CB-CB 4.29Å; W113-R115 HydrophobicContact CD2-CB 4.13Å; W113-R115 HydrophobicContact CE3-CB 3.95Å; W113-R115 HydrophobicContact CE3-CG 4.44Å; W113-R115 HydrophobicContact CG-CB 4.29Å
114A31.5Very low29.1Very low116 Ų116143.6 Ų143.696%0.95977%0.767SS**  trans-10772.1139.200000109.2
115R29.6Very low29.2Very low172 Ų172140 Ų14065%0.64976%0.762SS**  trans-91.3123.1-176.2-169.1-174.9-164.9-161.37.3110.7W113W113-R115 HydrophobicContact CB-CB 4.29Å; W113-R115 HydrophobicContact CD2-CB 4.13Å; W113-R115 HydrophobicContact CE3-CB 3.95Å; W113-R115 HydrophobicContact CE3-CG 4.44Å; W113-R115 HydrophobicContact CG-CB 4.29Å
116K31.7Very low29.5Very low205 Ų205141.6 Ų141.689%0.89176%0.763SS**  trans-123.491.5169.4-145.8173.9-172.8-179.90108
117K32.2Very low29.7Very low143 Ų143139.4 Ų139.462%0.62276%0.76SS**  6189.881.7-69.2-166.3178.7-173.10112.7F119K117-F119 HydrophobicContact CD-CE2 4.46Å
118Y31.5Very low29.8Very low218 Ų218143.3 Ų143.386%0.85577%0.774SS**  -119.5138.792.6-75.4-90.6000106.5
119F31.9Very low29.7Very low170 Ų170142.3 Ų142.375%0.74677%0.768SS**  58.5122.165-64.8-66.9000112.3K117K117-F119 HydrophobicContact CD-CE2 4.46Å
120G29.7Very low29.8Very low69 Ų69144.2 Ų144.271%0.71177%0.772SS**  cis152.8143.2-10.700000113.4
121N29.2Very low29.8Very low182 Ų182149.3 Ų149.397%0.97379%0.786SS**  trans61.2156.2176.4-88.618.5000118.5
122G30.1Very low29.8Very low76 Ų76149 Ų14978%0.78479%0.785SS**  trans12495.8158.600000116
123N26.9Very low30.1Very low157 Ų157151.7 Ų151.784%0.8479%0.788SS**  trans-44.2141.9172.1-65.4-10.8000115
124S30.3Very low30.3Very low103 Ų103150 Ų15072%0.7279%0.789SS**  151.6121.2117.5-650000114.5
125N30.3Very low30.4Very low141 Ų141150.9 Ų150.975%0.75479%0.785SS**  trans56.2115137.9-53.9-11.7000122.7
126N30.6Very low30.8Very low147 Ų147145.1 Ų145.179%0.78677%0.77SS**  trans77.5150.2135.9-62.6-18.9000122.4
127S31.6Very low31.5Very low115 Ų115139.2 Ų139.280%0.80476%0.755SS**  trans50.991.8175.950.70000115.7
128L28Very low32.3Very low162 Ų162139.8 Ų139.885%0.84876%0.758SS**  83.9122.150.8-162.379.2000114.6
129L28.6Very low33.1Very low123 Ų123133.8 Ų133.864%0.64474%0.737SS**  trans83.4143.2165.1-117.274.9000121.1
130Q29.9Very low34.3Very low182 Ų182131.1 Ų131.185%0.8573%0.726SS**  trans77.369.1154.9-147.8175.5116.600120.4
131Q27.8Very low35.9Very low196 Ų196135.3 Ų135.392%0.91672%0.721SS**  trans-146.196.6149.7-169.2173102.500112.7
132Q29.6Very low37.6Very low170 Ų170131.7 Ų131.779%0.79470%0.698SS**  trans-157.7108164.7-164.8174.810100111.7
133Q32.8Very low39.4Very low141 Ų141133 Ų13366%0.65968%0.684SS**  trans175.9139.8162.9-100.9146.1112.300108.3
134Q33.1Very low41.4Very low163 Ų163131.2 Ų131.276%0.76267%0.67SS**  trans163.788.5151.7-88.8-88.212.100110.9S136Q134-S136 PolarHBondContact OE1-OG 3.02Å
135P32.9Very low43.3Very low134 Ų134131.8 Ų131.887%0.8766%0.662SS**  trans-120.466.9168.937.8-23.9000111.9
136S37.7Very low45.2Very low50 Ų50128 Ų12835%0.3564%0.639SS.*  trans-129.7-15.4-171.157.30000115.1Q134 F138Q134-S136 PolarHBondContact OE1-OG 3.02Å; S136-F138 PolarHBondContact O-N 3.33Å
137S47.5Very low47.2Very low82 Ų82126.6 Ų126.657%0.57363%0.628SS**THydrogen-bonded Turntrans-77.3-7.7-159.462.90000116.9R141S137-R141 WeakPolarHBondContact O-CB 3.43Å
138F47.5Very low49.1Very low155 Ų155126.3 Ų126.368%0.6862%0.615SS**THydrogen-bonded Turntrans-86.9-52.2175.3-170.5-92.6000111.9S136 Q140 R141 Q142S136-F138 PolarHBondContact O-N 3.33Å; F138-Q140 PolarHBondContact O-N 3.01Å; F138-R141 WeakPolarHBondContact O-CB 3.37Å; F138-R141 PolarHBondContact O-N 3.3Å; F138-R141 VanDerWaalsContact O-N 3.1Å; F138-Q142 PolarHBondContact O-N 3.5Å
139F48.7Very low51.1Low92 Ų92123.3 Ų123.340%0.40460%0.597SS.*Hα-helixtrans-63.1-42.7-177.1-163.6-97.1000111.6R141 Q142 Q143 M1248F139-R141 VanDerWaalsContact C-N 3.27Å; F139-R141 PolarHBondContact O-N 3.13Å; F139-Q142 PolarHBondContact O-N 3.4Å; F139-Q143 WeakPolarHBondContact O-CB 3.45Å; F139-Q143 PolarHBondContact O-N 2.97Å; F139-M1248 HydrophobicContact CD2-CE 4.15Å; F139-M1248 HydrophobicContact CE1-SD 4.27Å; F139-M1248 HydrophobicContact CE2-CE 3.79Å; F139-M1248 HydrophobicContact CE2-SD 3.76Å; F139-M1248 HydrophobicContact CZ-CE 4.03Å; F139-M1248 HydrophobicContact CZ-SD 3.53Å; F139-M1248 VanDerWaalsContact CZ-SD 3.53Å
140Q58.5Low52.8Low113 Ų113122.2 Ų122.253%0.52859%0.589SS.*Hα-helixtrans-65.6-29176.6-162.2168.820.500112.8F138 Q144F138-Q140 PolarHBondContact O-N 3.01Å; Q140-Q144 PolarHBondContact O-N 3.4Å
141R63Low54.5Low158 Ų158119.2 Ų119.260%0.59658%0.576SS**Hα-helixtrans-73.3-39.6174-170.3-178.1-59-128.6-1.9111.9S137 F138 F139 Q143 Q144 Q145S137-R141 WeakPolarHBondContact O-CB 3.43Å; F138-R141 WeakPolarHBondContact O-CB 3.37Å; F138-R141 PolarHBondContact O-N 3.3Å; F138-R141 VanDerWaalsContact O-N 3.1Å; F139-R141 VanDerWaalsContact C-N 3.27Å; F139-R141 PolarHBondContact O-N 3.13Å; R141-Q143 VanDerWaalsContact C-N 3.33Å; R141-Q144 PolarHBondContact O-N 3.31Å; R141-Q145 WeakPolarHBondContact O-CG 3.4Å; R141-Q145 PolarHBondContact O-N 3.49Å
142Q65Low56.2Low106 Ų106116.1 Ų116.150%0.49556%0.561SS.*Hα-helixtrans-62.4-42.8172-127.1-176.75.800110.9F138 F139 Q145 H146F138-Q142 PolarHBondContact O-N 3.5Å; F139-Q142 PolarHBondContact O-N 3.4Å; Q142-Q145 PolarHBondContact O-N 3.4Å; Q142-H146 PolarHBondContact O-N 2.88Å
143Q66.8Low57.6Low103 Ų103112.2 Ų112.248%0.48154%0.543SS..Hα-helixtrans-63.2-41.4177.2-162.2177.736.300112.4F139 R141 Q147F139-Q143 WeakPolarHBondContact O-CB 3.45Å; F139-Q143 PolarHBondContact O-N 2.97Å; R141-Q143 VanDerWaalsContact C-N 3.33Å; Q143-Q147 PolarHBondContact O-N 3.45Å
144Q68.7Low58.8Low120 Ų120112.2 Ų112.256%0.56154%0.541SS*.Hα-helixtrans-65.1-43.6172.6-81.6-174.5-20.700112.9Q140 R141 H146 Q147 M148Q140-Q144 PolarHBondContact O-N 3.4Å; R141-Q144 PolarHBondContact O-N 3.31Å; Q144-H146 VanDerWaalsContact C-N 3.32Å; Q144-H146 PolarHBondContact O-N 3.22Å; Q144-Q147 PolarHBondContact O-N 3.01Å; Q144-M148 PolarHBondContact O-N 3.39Å
145Q70.7Confident59.6Low115 Ų115110.5 Ų110.554%0.53753%0.533SS..Hα-helixtrans-60.7-42.5176.8-77.2179-27.100111.4R141 Q142 M148 Q149R141-Q145 WeakPolarHBondContact O-CG 3.4Å; R141-Q145 PolarHBondContact O-N 3.49Å; Q142-Q145 PolarHBondContact O-N 3.4Å; Q145-M148 PolarHBondContact O-N 2.96Å; Q145-Q149 PolarHBondContact O-N 3.26Å
146H70.6Confident60.3Low60 Ų60106.4 Ų106.428%0.27851%0.51SS..Hα-helixtrans-72-32.6177.5-156.890.6000112.9Q142 Q144 Q149 M150 Y1257Q142-H146 PolarHBondContact O-N 2.88Å; Q144-H146 VanDerWaalsContact C-N 3.32Å; Q144-H146 PolarHBondContact O-N 3.22Å; H146-Q149 PolarHBondContact O-N 3.21Å; H146-M150 WeakPolarHBondContact O-CB 3.3Å; H146-M150 WeakPolarHBondContact O-CG 3.44Å; H146-M150 PolarHBondContact O-N 3.42Å; H146-Y1257 WeakPolarHBondContact CB-OH 3.35Å; H146-Y1257 AromaticContact CD2-CE1 3.81Å; H146-Y1257 AromaticContact CD2-CE2 3.99Å; H146-Y1257 AromaticContact CD2-CZ 3.41Å; H146-Y1257 VanDerWaalsContact CD2-CZ 3.41Å; H146-Y1257 PolarHBondContact CD2-OH 3.12Å; H146-Y1257 VanDerWaalsContact CD2-OH 3.27Å; H146-Y1257 AromaticContact CE1-CE2 3.68Å; H146-Y1257 AromaticContact CE1-CZ 3.92Å; H146-Y1257 AromaticContact CG-CZ 3.71Å; H146-Y1257 VanDerWaalsContact CG-OH 3.22Å; H146-Y1257 AromaticContact ND1-CE2 3.92Å; H146-Y1257 AromaticContact NE2-CE1 3.9Å; H146-Y1257 AromaticContact NE2-CE2 3.72Å; H146-Y1257 AromaticContact NE2-CZ 3.56Å
147Q72.4Confident60.6Low119 Ų119107.4 Ų107.456%0.55651%0.514SS*.Hα-helixtrans-62.9-43.3169.6-84.1-171.6-10.900112.2Q143 Q144 Q149 M150 Q151Q143-Q147 PolarHBondContact O-N 3.45Å; Q144-Q147 PolarHBondContact O-N 3.01Å; Q147-Q149 VanDerWaalsContact C-N 3.33Å; Q147-Q149 PolarHBondContact O-N 2.89Å; Q147-M150 PolarHBondContact O-N 3.35Å; Q147-Q151 WeakPolarHBondContact O-CG 3.26Å; Q147-Q151 PolarHBondContact O-N 3.02Å
148M71.8Confident60.4Low109 Ų109108.8 Ų108.854%0.53752%0.515SS..Hα-helixtrans-63.1-39.4174.2-71.9-165.3-62.700111.8Q144 Q145 Q151 Q152Q144-M148 PolarHBondContact O-N 3.39Å; Q145-M148 PolarHBondContact O-N 2.96Å; M148-Q151 PolarHBondContact O-N 3.5Å; M148-Q152 WeakPolarHBondContact O-CG 3.38Å; M148-Q152 PolarHBondContact O-N 3.25Å
149Q68.8Low60.2Low98 Ų98107 Ų10746%0.45851%0.513SS..Hα-helixtrans-64.6-43.8176.7-168.1165.99.100112Q145 H146 Q147 Q151 Q152 E153Q145-Q149 PolarHBondContact O-N 3.26Å; H146-Q149 PolarHBondContact O-N 3.21Å; Q147-Q149 VanDerWaalsContact C-N 3.33Å; Q147-Q149 PolarHBondContact O-N 2.89Å; Q149-Q151 VanDerWaalsContact C-N 3.33Å; Q149-Q151 PolarHBondContact O-N 3.22Å; Q149-Q152 PolarHBondContact O-N 3.01Å; Q149-E153 PolarHBondContact O-N 3.1Å
150M65.1Low59.9Low100 Ų100108 Ų10849%0.49352%0.522SS..Hα-helixtrans-63.3-34.3173.5-77-73.5-72.800113.1H146 Q147 K154H146-M150 WeakPolarHBondContact O-CB 3.3Å; H146-M150 WeakPolarHBondContact O-CG 3.44Å; H146-M150 PolarHBondContact O-N 3.42Å; Q147-M150 PolarHBondContact O-N 3.35Å; M150-K154 WeakPolarHBondContact O-CB 3.4Å; M150-K154 WeakPolarHBondContact O-CG 3.4Å; M150-K154 PolarHBondContact O-N 3.41Å; M150-K154 VanDerWaalsContact O-N 3.09Å
151Q65.8Low59.1Low120 Ų120107 Ų10756%0.56152%0.521SS*.Hα-helixtrans-70.6-41.5173.4-74.5179.35.100111.8Q147 M148 Q149 K154 Q155Q147-Q151 WeakPolarHBondContact O-CG 3.26Å; Q147-Q151 PolarHBondContact O-N 3.02Å; M148-Q151 PolarHBondContact O-N 3.5Å; Q149-Q151 VanDerWaalsContact C-N 3.33Å; Q149-Q151 PolarHBondContact O-N 3.22Å; Q151-K154 PolarHBondContact O-N 2.97Å; Q151-Q155 WeakPolarHBondContact O-CG 3.36Å; Q151-Q155 PolarHBondContact O-N 2.94Å
152Q62.7Low57.9Low131 Ų131102.5 Ų102.561%0.61252%0.517SS*.Hα-helixtrans-64.7-40.2175.7-74.51795.400112.1M148 Q149 Q155 A156M148-Q152 WeakPolarHBondContact O-CG 3.38Å; M148-Q152 PolarHBondContact O-N 3.25Å; Q149-Q152 PolarHBondContact O-N 3.01Å; Q152-Q155 PolarHBondContact O-N 3.03Å; Q152-A156 WeakPolarHBondContact O-CB 3.41Å; Q152-A156 PolarHBondContact O-N 3.16Å
153E58.7Low56.5Low88 Ų88104.7 Ų104.741%0.41153%0.532SS..Hα-helixtrans-71.4-34.2176.7-70.5-171156.100112.2K66 Q149 A156 T157K66-E153 IonicContact NZ-OE1 2.81Å; K66-E153 PolarHBondContact NZ-OE1 3.04Å; Q149-E153 PolarHBondContact O-N 3.1Å; E153-A156 PolarHBondContact O-N 3.14Å; E153-T157 PolarHBondContact O-N 3.14Å; E153-T157 PolarHBondContact O-OG1 3.36Å
154K59.2Low55Low141 Ų141108 Ų10861%0.61355%0.549SS*.Hα-helixtrans-65.4-34.9168.9-78.2-171.8174.3-1690113.7M150 Q151 T157 N158M150-K154 WeakPolarHBondContact O-CB 3.4Å; M150-K154 WeakPolarHBondContact O-CG 3.4Å; M150-K154 PolarHBondContact O-N 3.41Å; M150-K154 VanDerWaalsContact O-N 3.09Å; Q151-K154 PolarHBondContact O-N 2.97Å; K154-T157 PolarHBondContact O-OG1 3.39Å; K154-N158 WeakPolarHBondContact O-CB 3.48Å; K154-N158 VanDerWaalsContact O-CG 3.23Å; K154-N158 PolarHBondContact O-N 2.92Å; K154-N158 PolarHBondContact O-OD1 3.44Å
155Q48.9Very low53.5Low126 Ų126109.4 Ų109.459%0.58955%0.554SS**Hα-helixtrans-70.3-36.8172.1-73.6176.9-4.300111.4Q151 Q152 N158 N159Q151-Q155 WeakPolarHBondContact O-CG 3.36Å; Q151-Q155 PolarHBondContact O-N 2.94Å; Q152-Q155 PolarHBondContact O-N 3.03Å; Q155-N158 PolarHBondContact O-N 3.38Å; Q155-N159 WeakPolarHBondContact O-CB 3.5Å; Q155-N159 VanDerWaalsContact O-CG 3.29Å; Q155-N159 PolarHBondContact O-N 2.93Å; Q155-N159 PolarHBondContact O-ND2 3.25Å
156A47.2Very low51.7Low49 Ų49111 Ų11141%0.40557%0.566SS.*Hα-helixtrans-67-37.417600000112.9Q152 E153 N160Q152-A156 WeakPolarHBondContact O-CB 3.41Å; Q152-A156 PolarHBondContact O-N 3.16Å; E153-A156 PolarHBondContact O-N 3.14Å; A156-N160 PolarHBondContact O-N 3.22Å; A156-N160 PolarHBondContact O-ND2 2.95Å
157T45.3Very low50Low70 Ų70116.8 Ų116.843%0.42959%0.593SS.*Hα-helixtrans-66.8-48.717351.70000111.3E153 K154 N159 N160 D161E153-T157 PolarHBondContact O-N 3.14Å; E153-T157 PolarHBondContact O-OG1 3.36Å; K154-T157 PolarHBondContact O-OG1 3.39Å; T157-N159 VanDerWaalsContact C-N 3.27Å; T157-N159 PolarHBondContact O-N 2.99Å; T157-N160 PolarHBondContact O-N 3.31Å; T157-D161 PolarHBondContact O-N 3.43Å
158N43.3Very low48.1Very low112 Ų112118.4 Ų118.460%0.59961%0.605SS**Hα-helixtrans-62-33.4-177.4-71.210.4000112.8K154 Q155K154-N158 WeakPolarHBondContact O-CB 3.48Å; K154-N158 VanDerWaalsContact O-CG 3.23Å; K154-N158 PolarHBondContact O-N 2.92Å; K154-N158 PolarHBondContact O-OD1 3.44Å; Q155-N158 PolarHBondContact O-N 3.38Å
159N42.8Very low46.3Very low118 Ų118119.8 Ų119.863%0.63162%0.62SS**Hα-helixtrans-76.5-17.8177.5-72.6-13.4000114.1Q155 T157Q155-N159 WeakPolarHBondContact O-CB 3.5Å; Q155-N159 VanDerWaalsContact O-CG 3.29Å; Q155-N159 PolarHBondContact O-N 2.93Å; Q155-N159 PolarHBondContact O-ND2 3.25Å; T157-N159 VanDerWaalsContact C-N 3.27Å; T157-N159 PolarHBondContact O-N 2.99Å
160N41.8Very low44.5Very low112 Ų112120.9 Ų120.960%0.59963%0.633SS**Hα-helixtrans-89-34.8176-80.6-76.9000112.5A156 T157 A162 L163A156-N160 PolarHBondContact O-N 3.22Å; A156-N160 PolarHBondContact O-ND2 2.95Å; T157-N160 PolarHBondContact O-N 3.31Å; N160-A162 PolarHBondContact O-N 2.95Å; N160-L163 PolarHBondContact O-N 3.22Å; N160-L163 VanDerWaalsContact O-N 3.09Å
161D41.9Very low42.9Very low92 Ų92123.8 Ų123.849%0.49265%0.65SS.*Hα-helixtrans-63.4-24.3174-105.9-63.9000113.3T157 L163 K165T157-D161 PolarHBondContact O-N 3.43Å; D161-L163 VanDerWaalsContact C-N 3.32Å; D161-K165 IonicContact OD1-NZ 2.68Å; D161-K165 PolarHBondContact OD1-NZ 3.34Å
162A38Very low41.1Very low64 Ų64122.2 Ų122.253%0.52966%0.658SS.*THydrogen-bonded Turntrans-71.3-22174.100000113.8N160N160-A162 PolarHBondContact O-N 2.95Å
163L36.1Very low39.5Very low151 Ų151124.7 Ų124.779%0.79167%0.669SS**THydrogen-bonded Turntrans-96.6-4.8-173.1-139.176.1000114.4N160 D161N160-L163 PolarHBondContact O-N 3.22Å; N160-L163 VanDerWaalsContact O-N 3.09Å; D161-L163 VanDerWaalsContact C-N 3.32Å
164M35.9Very low38.3Very low174 Ų174126.6 Ų126.686%0.85769%0.686SS**SBendtrans-110.76.9175.8-82-75.3178.900113.4
165K35.5Very low37Very low149 Ų149123.7 Ų123.765%0.64868%0.684SS**SBendtrans-128.238.5-175.9-71.3171.6179.91440112.9D161D161-K165 IonicContact OD1-NZ 2.68Å; D161-K165 PolarHBondContact OD1-NZ 3.34Å
166N34.4Very low36.3Very low149 Ų149124.8 Ų124.880%0.79769%0.693SS**SBendtrans-155.869.8172.4-100.8-37.3000112.7
167Q34.6Very low35.3Very low181 Ų181127.9 Ų127.985%0.84671%0.711SS**  trans-159.6153161.2-114.7163.735.200111.5
168N32.7Very low34.5Very low153 Ų153134 Ų13482%0.81873%0.732SS**  trans67.674172.4-59.1-13000117.8
169V34.4Very low34.1Very low138 Ų138134.1 Ų134.184%0.83674%0.741SS**  trans-130115.6151176.80000109.1
170V30.3Very low33.6Very low120 Ų120132.8 Ų132.873%0.72774%0.741SS**  trans55.5105.8159.4-178.80000118.3
171N30.5Very low33.3Very low161 Ų161134 Ų13486%0.86175%0.748SS**  -166159.9106.3-107.2-37.8000112
172A28.3Very low33Very low87 Ų87133.7 Ų133.772%0.71975%0.752SS**  trans-142.3133.7177.900000110.8
173H30.8Very low32.9Very low184 Ų184137 Ų13785%0.85276%0.761SS**  trans-172.3-177.9154-123.3-96.3000109.9
174V33.3Very low32.9Very low127 Ų127135.5 Ų135.577%0.7775%0.754SS**  trans75.397.1-175-170.70000111
175S31Very low32.9Very low80 Ų80133.8 Ų133.856%0.55975%0.748SS**  cis65.5140.741.888.80000112.4
176D33.5Very low32.9Very low149 Ų149131.2 Ų131.280%0.79775%0.749SS**  cis-150.1-175.935.3-104-65.1000114.9
177C26.8Very low33Very low114 Ų114130.2 Ų130.277%0.7775%0.748SS**  trans-116.2163.6179.8-61.30000113.1
178K29.1Very low33.1Very low200 Ų200126 Ų12687%0.8774%0.739SS**  trans101.4155.7159-60.5-179.6174.6178.60119.3
179S33.8Very low33.3Very low113 Ų113123.8 Ų123.879%0.7974%0.736SS**  trans65.7137.9169.160.30000119
180S32.8Very low33.5Very low90 Ų90122 Ų12263%0.62973%0.729SS**  cis-175.5166.7-35.246.10000107.1
181D35.1Very low33.9Very low139 Ų139122.8 Ų122.874%0.74373%0.729SS**  trans68.1146.5160.9-50.3-54.1000117.6
182S36Very low34.2Very low84 Ų84121.5 Ų121.559%0.58772%0.722SS**  cis-163.7147-13.5-113.30000111
183N35.9Very low34.6Very low134 Ų134123.4 Ų123.472%0.71772%0.72SS**  trans66.6150149.6-61.5-17.1000119.7
184N36.4Very low34.9Very low120 Ų120119 Ų11964%0.64271%0.711SS**  cis-159153.6-1.4-123.2-12.8000113.2
185N36.4Very low34.9Very low138 Ų138118.5 Ų118.574%0.73871%0.708SS**  trans56.9140.3150.8-67.5-11.8000120.2
186S35.4Very low35.3Very low95 Ų95122.7 Ų122.766%0.66472%0.722SS**  cis-161.7145.323.3-110.70000114.1
187T36.6Very low35.3Very low127 Ų127120.7 Ų120.778%0.77972%0.72SS**  trans30.9144.9141.456.20000123.1
188S36.5Very low35.7Very low94 Ų94119.4 Ų119.466%0.65771%0.712SS**  cis-176.6164.9-348.90000112.9
189S37.2Very low36.1Very low106 Ų106116.1 Ų116.174%0.74170%0.704SS**  trans63.6149.5152.944.50000119.3
190S37.7Very low36.1Very low100 Ų100116.4 Ų116.470%0.69970%0.697SS**  cis-178.8165.1-5.1470000109.2
191N38.4Very low36.1Very low137 Ų137117.7 Ų117.773%0.73370%0.697SS**  cis-171.2168.4-14.5-98.610.5000109.2
192N37.6Very low35.9Very low133 Ų133117.6 Ų117.671%0.71170%0.696SS**  trans69.3151.8157.8-59.8-3.3000119.1
193N36.8Very low35.7Very low127 Ų127118.7 Ų118.768%0.67970%0.699SS**  cis-155.3138.2-14.6-105.5-3000108.1
194S36.7Very low35.5Very low93 Ų93117.3 Ų117.365%0.6570%0.701SS**  62.9144.390.4100.20000114.8
195T34.3Very low35.1Very low115 Ų115116.6 Ų116.671%0.70671%0.705SS**  cis-162.2161.312.2-21.60000110.2
196I38.4Very low35Very low169 Ų169114.5 Ų114.587%0.86771%0.706SS**  trans-176.6143132.6-98.8159.5000112
197S34Very low34.8Very low106 Ų106114.1 Ų114.174%0.74170%0.704SS**  trans-151.7157.9-173.2-650000109
198S34.8Very low34.7Very low88 Ų88114.3 Ų114.362%0.61570%0.7SS**  cis-170.2-159-15.855.90000107.2
199N36.9Very low34.6Very low131 Ų131115.8 Ų115.870%0.70170%0.701SS**  trans73156.6163-56.9-7.7000116.1
200N34.8Very low34.6Very low118 Ų118117 Ų11763%0.63170%0.699SS**  cis-163.3158.2-21.1-108.5-10.8000112
201N32.9Very low34.5Very low118 Ų118118.6 Ų118.663%0.63170%0.704SS**  trans59.9134.9139.3-64.9-5.8000123.5
202N31.3Very low34.5Very low136 Ų136115.4 Ų115.473%0.72770%0.704SS**  trans71.5153.9132.7-66.73.5000119.5
203T31.4Very low34.5Very low107 Ų107114.2 Ų114.266%0.65671%0.706SS**  cis-166.4160.3-15.224.60000107.8
204S30.5Very low34.5Very low106 Ų106113.6 Ų113.674%0.74171%0.712SS**  trans58.6152.7146.958.30000120
205S29.7Very low34.5Very low105 Ų105114 Ų11473%0.73471%0.714SS**  cis-174.8166.3-1449.10000108.3
206A32.5Very low34.6Very low93 Ų93113.5 Ų113.577%0.76972%0.716SS**  trans65.9157.9156.800000118
207S32Very low34.4Very low87 Ų87110.6 Ų110.661%0.60871%0.709SS**  cis-169.7172.1-25.555.10000109.9
208N35.4Very low34.4Very low131 Ų131110.4 Ų110.470%0.70171%0.708SS**  trans71.4150.1154.8-61-12.1000118.1
209N33.9Very low34.4Very low125 Ų125113.1 Ų113.167%0.66872%0.716SS**  cis-164.9175.7-18.9-109.2-14.4000112
210N36.7Very low34.2Very low132 Ų132117 Ų11771%0.70672%0.721SS**  trans74.2116.8161.5-65.1-1000116.9
211T34.8Very low34.2Very low133 Ų133117 Ų11782%0.81673%0.725SS**  79.4133.152.766.20000113.9
212G38.6Very low34.2Very low71 Ų71120.8 Ų120.873%0.73274%0.736SS**  cis-154.7-149.40.300000110.4
213S37.4Very low34.5Very low108 Ų108120.5 Ų120.576%0.75574%0.742SS**  cis-163.9155.83.9-66.60000110.4
214S36.9Very low34.3Very low114 Ų114120 Ų12080%0.79775%0.748SS**  trans56.8142.8151.944.70000121.3
215S37.3Very low34.4Very low100 Ų100124.8 Ų124.870%0.69976%0.755SS**  cis-170.7146.1-4.344.50000113.7
216S36.6Very low34.2Very low106 Ų106131.4 Ų131.474%0.74176%0.764SS**  trans57.8144.9149.157.60000120.9
217C34.7Very low34.1Very low107 Ų107135.3 Ų135.372%0.72377%0.772SS**  cis-155.3138.2-3.8280000108.4
218S33.9Very low33.9Very low103 Ų103136.9 Ų136.972%0.7277%0.773SS**  59.9126.877.7-49.80000112.6
219N33.8Very low33.7Very low144 Ų144139.9 Ų139.977%0.7778%0.783SS**  cis-161.2176.222.1-99.5-41.8000109.1
220R33.4Very low33.4Very low213 Ų213140.5 Ų140.580%0.80479%0.786SS**  cis-156.8168.72-131.9-179.7-171.9-171.70.9113.3
221T34Very low33.2Very low118 Ų118139.7 Ų139.772%0.72479%0.791SS**  trans-6.8143.6156.750.20000124.9
222K34Very low33Very low197 Ų197138.6 Ų138.686%0.85779%0.789SS**  trans-63.4167.5155.1-48.9173.2179.2175.60112.3
223P36.1Very low32.8Very low131 Ų131140 Ų14085%0.85179%0.788SS**  -146.5-176.386.340-23000114.7
224A28.7Very low32.5Very low95 Ų95139.6 Ų139.679%0.78579%0.785SS**  trans-111.9156177.500000112.5
225K31.4Very low32.3Very low208 Ų208139 Ų13990%0.90478%0.781SS**  trans-160.9150.5155-115.8174.6-175.7-177.90111.8
226W26Very low32Very low243 Ų243139.5 Ų139.592%0.9278%0.784SS**  trans-79.5152.4163.1-73.229.7000109.9
227L30.9Very low31.9Very low176 Ų176139.6 Ų139.692%0.92179%0.785SS**  -170.9172.2115.2-101.8164000111.4
228N27.3Very low31.7Very low120 Ų120141.5 Ų141.564%0.64279%0.787SS**  trans-126.4128.9-169.415689.7000110.2
229E31.8Very low31.5Very low193 Ų193142.4 Ų142.490%0.90278%0.784SS**  trans-136.5134.7163.9-68.3-162.4143.600111.2
230N27.3Very low31.3Very low138 Ų138141.5 Ų141.574%0.73878%0.779SS**  trans-90.3153.4170.5-67.1-71.8000109.6
231S32.4Very low31.1Very low115 Ų115137.4 Ų137.480%0.80477%0.774SS**  trans-162.6132.1137.9-870000113.3
232S31.2Very low30.9Very low111 Ų111139 Ų13978%0.77678%0.776SS**  trans6.7147.214863.10000120
233S33.5Very low30.7Very low101 Ų101134.1 Ų134.171%0.70677%0.767SS**  cis-169.8170.14162.60000114.6
234S32.2Very low30.3Very low99 Ų99133.1 Ų133.169%0.69276%0.761SS**  trans11.1149.5149.143.40000123
235S32.7Very low30.3Very low102 Ų102138.4 Ų138.471%0.71376%0.761SS**  cis-177.9147-5.350.40000114.8
236S31.1Very low30.2Very low109 Ų109133.6 Ų133.676%0.76275%0.745SS**  trans69.7153.1136.1-640000124.1
237S32.7Very low30.4Very low109 Ų109127.8 Ų127.876%0.76273%0.732SS**  trans77.399.9160.7-57.80000117.3
238N30.5Very low30.4Very low146 Ų146125.9 Ų125.978%0.78172%0.723SS**  87134.753.6-82-18.1000116.3
239N30.8Very low30.5Very low122 Ų122125.4 Ų125.465%0.65273%0.725SS**  trans77.1102.9144.1-69.4-7.8000121.1
240N29.5Very low30.6Very low125 Ų125121.9 Ų121.967%0.66872%0.721SS**  97.6138.8112.1-69.3-15000121.1
241N29.9Very low30.9Very low128 Ų128119.3 Ų119.368%0.68471%0.714SS**  trans79.9127.5138.3-78.9-7.5000120.7
242I29.5Very low31Very low151 Ų151121 Ų12177%0.77471%0.713SS**  61.4129.9124.7-61171.5000116.7
243S28.8Very low31.2Very low94 Ų94122.5 Ų122.566%0.65771%0.712SS**  cis-176.4-178.1-7.8-176.30000106.7
244C28.6Very low31.1Very low110 Ų110123.2 Ų123.274%0.74371%0.712SS**  trans67.4162.5160.4-69.60000116.9
245R28.7Very low31.3Very low207 Ų207128.8 Ų128.878%0.78172%0.724SS**  cis-164.3154.3-45.5-137.5-170.4169.3156.9-3.1108.5
246N29.9Very low31.2Very low106 Ų106134.6 Ų134.657%0.56773%0.73SS**  trans52.1116.1146.7-78.426.3000120.9
247N29.6Very low31.3Very low121 Ų121140.7 Ų140.765%0.64774%0.736SS**  87.7145116.3-65.911.8000121.4
248N30.8Very low31.3Very low136 Ų136141.5 Ų141.573%0.72773%0.732SS**  trans72.7143.6145-70.59.3000118.1
249T29.7Very low31.3Very low111 Ų111140.1 Ų140.168%0.68173%0.734SS**  cis-165.7165.2-14.915.40000107.9
250S33.7Very low31.4Very low118 Ų118139.8 Ų139.883%0.82574%0.741SS**  trans70.1162.4158.195.70000115.7
251S32.4Very low31.4Very low84 Ų84135.9 Ų135.959%0.58773%0.726SS**  cis-155.9151.7-5.984.20000110.7
252I36Very low31.3Very low151 Ų151132.2 Ų132.277%0.77472%0.719SS**  trans68.4144.2148.4-63.4168.8000114.5
253D34.9Very low31.4Very low142 Ų142130 Ų13076%0.75972%0.723SS**  cis-133.1178.517.4-143.5-31.1000114.4
254T31.6Very low31.5Very low117 Ų117129.9 Ų129.972%0.71872%0.719SS**  trans-102.3150.7-170.853.60000114.2
255K35.7Very low31.6Very low215 Ų215128.3 Ų128.394%0.93571%0.713SS**  trans-150.7130.7140.4-114.1159.8-170.91700111.4
256R31.4Very low31.5Very low225 Ų225123 Ų12385%0.84971%0.714SS**  trans-86144.7-174.1-65.5173.6169.5-173.8-4.5112.6
257R33.3Very low31.6Very low236 Ų236128.1 Ų128.189%0.89173%0.727SS**  -170.2108.6127.9-98.9160.4-173.4-1631106.5
258N32.1Very low31.7Very low127 Ų127132.5 Ų132.568%0.67974%0.736SS**  74.4118.583.8-80.732.8000113.2
259S31Very low31.6Very low116 Ų116135.6 Ų135.681%0.81174%0.737SS**  trans58.3147.4150.7450000119
260S31.5Very low31.7Very low116 Ų116137.7 Ų137.781%0.81174%0.737SS**  cis-160.2174.1-4.236.70000109.7
261A29.4Very low31.5Very low42 Ų42136 Ų13635%0.34773%0.725SS.*  trans-69.3157.8173.800000112.8Q380A261-Q380 HydrophobicContact CB-CG 4.5Å
262G27.7Very low31.4Very low52 Ų52139.4 Ų139.454%0.53673%0.732SS.*  trans75.7111147.900000118.1
263A33.7Very low31.3Very low104 Ų104137.5 Ų137.586%0.8673%0.732SS**  trans-144.7113.3157.600000110.3
264T29.3Very low31.2Very low92 Ų92140.3 Ų140.356%0.56474%0.74SS**  trans-89.2155.9150.3920000108.4E376T264-E376 VanDerWaalsContact CB-OE1 3.24Å; T264-E376 WeakPolarHBondContact CB-OE1 3.46Å; T264-E376 WeakPolarHBondContact CB-OE2 3.42Å; T264-E376 HydrophobicContact CG2-CG 4.5Å; T264-E376 PolarHBondContact OG1-OE1 3.25Å; T264-E376 PolarHBondContact OG1-OE2 3.21Å
265A30.3Very low31.3Very low76 Ų76140.5 Ų140.563%0.62875%0.747SS**  trans177.7120.9158.400000106.7
266A27.5Very low31.1Very low97 Ų97133.5 Ų133.580%0.80274%0.736SS**  78.56364.900000114.5
267Y31.9Very low31.2Very low212 Ų212128.7 Ų128.783%0.83174%0.736SS**  trans-128.7130.3153.7-71.1-93.2000107
268Y31.2Very low31.2Very low213 Ų213121.9 Ų121.984%0.83573%0.725SS**  cis-114.9145.8-2.1-97.6-114.5000110.9
269R28.8Very low31.1Very low202 Ų202125.5 Ų125.576%0.76274%0.738SS**  trans-132.997.9152.8-177-169.6-70.2-175.4-0.9108.2S271R269-S271 PolarHBondContact O-N 3.2Å
270K31.6Very low31.3Very low155 Ų155124 Ų12467%0.67474%0.741SS**  trans-88.393.5169.9-158.1-173.5-165.5-132.40109.1E272K270-E272 VanDerWaalsContact CE-CD 3.47Å; K270-E272 WeakPolarHBondContact CE-OE1 3.38Å; K270-E272 IonicContact NZ-OE1 2.63Å; K270-E272 PolarHBondContact NZ-OE1 3.47Å; K270-E272 IonicContact NZ-OE2 2.76Å; K270-E272 PolarHBondContact NZ-OE2 3.36Å
271S31.2Very low31.3Very low81 Ų81123.6 Ų123.657%0.56675%0.745SS**  trans-118.994.6171.452.10000108.4R269R269-S271 PolarHBondContact O-N 3.2Å
272E30Very low31.5Very low156 Ų156126.1 Ų126.173%0.72977%0.765SS**  trans-86.3123166.8-74.3161.216600107.4K270K270-E272 VanDerWaalsContact CE-CD 3.47Å; K270-E272 WeakPolarHBondContact CE-OE1 3.38Å; K270-E272 IonicContact NZ-OE1 2.63Å; K270-E272 PolarHBondContact NZ-OE1 3.47Å; K270-E272 IonicContact NZ-OE2 2.76Å; K270-E272 PolarHBondContact NZ-OE2 3.36Å
273S32.8Very low31.8Very low112 Ų112132.4 Ų132.478%0.78378%0.781SS**  trans-140.7142.7178.257.30000109.4
274E32.3Very low31.9Very low200 Ų200132.5 Ų132.594%0.93578%0.775SS**  trans-72.9142.5-161.1-58151.5119.500114.5
275S33.7Very low32Very low122 Ų122133.5 Ų133.585%0.85378%0.781SS**  trans-158.4133.9145.254.80000108.5
276G32.5Very low32.3Very low68 Ų68137.1 Ų137.170%0.70179%0.785SS**  trans-114.6-155.9-171.400000114.6
277S32.8Very low32.7Very low123 Ų123138.1 Ų138.186%0.8678%0.782SS**  trans71.2143.2-175.975.40000115.6
278S33.4Very low32.7Very low94 Ų94136 Ų13666%0.65778%0.779SS**  cis-170.7139.9-2045.70000111
279E31Very low32.9Very low202 Ų202129.8 Ų129.894%0.94477%0.772SS**  trans62.5153.5154.2-63.2179.9160.900119.9
280G34.6Very low33.2Very low85 Ų85125 Ų12588%0.87677%0.765SS**  trans143.386.7-178.700000112.1
281A30.8Very low33.3Very low108 Ų108129 Ų12989%0.89378%0.776SS**  trans-111.5136-171.800000113.8
282A34.7Very low33.5Very low95 Ų95131 Ų13179%0.78579%0.785SS**  trans-173.1123153.300000105.9
283E33.4Very low33.8Very low183 Ų183127.6 Ų127.686%0.85579%0.792SS**  cis97.4146.445.7-174.7164.9-142.600112.3
284S35.4Very low34Very low106 Ų106125.6 Ų125.674%0.74179%0.789SS**  trans70148.6175.770.60000118.8
285T32.4Very low34.1Very low113 Ų113121.4 Ų121.469%0.69378%0.781SS**  cis-156.7-172.7-48.4-19.10000108.9
286E36.4Very low34.3Very low153 Ų153123 Ų12372%0.71578%0.779SS**  trans76.4109.4144.5-84158.2-112.900118.8
287T34.9Very low34.4Very low118 Ų118123.6 Ų123.672%0.72477%0.773SS**  85146.780.651.60000114.4
288E33.4Very low34.5Very low168 Ų168123.7 Ų123.779%0.78576%0.764SS**  cis-165.6170.4-15.7-162.3-170142.100108.8
289A35.1Very low34.5Very low81 Ų81129.1 Ų129.167%0.66977%0.77SS**  trans74.7163.5146.400000120.6
290T34.1Very low34.5Very low103 Ų103125.1 Ų125.163%0.63276%0.759SS**  cis-174.6138.2-36.7-85.90000108T292T290-T292 HydrophobicContact CG2-CG2 4.11Å
291R35.1Very low34.4Very low239 Ų239124.9 Ų124.990%0.90275%0.749SS**  trans163.4156.4147.2-91.9154.6-170.8-134.41.5111.7
292T34.7Very low34.5Very low121 Ų121128.3 Ų128.374%0.74275%0.747SS**  176.9143.9-61.835.70000109.5T290T290-T292 HydrophobicContact CG2-CG2 4.11Å
293G37Very low34.3Very low85 Ų85129 Ų12988%0.87675%0.745SS**  trans103.1143.2176.500000112.9
294G36.5Very low34.3Very low71 Ų71124.8 Ų124.873%0.73274%0.736SS**  cis147.5149.43.700000109.6
295C34.7Very low34.1Very low112 Ų112124.7 Ų124.776%0.75774%0.736SS**  cis-157.71611.5-69.80000110.2
296N36.9Very low34.2Very low155 Ų155123.7 Ų123.783%0.82974%0.739SS**  trans61.7152.4142.3-69.9-1.2000122.1
297S36.2Very low34.1Very low80 Ų80124.4 Ų124.456%0.55975%0.748SS**  cis-178160.2-18.3570000112.1
298N34.6Very low34.2Very low125 Ų125121.7 Ų121.767%0.66874%0.743SS**  trans68.8164.6151.9-65.4-38.8000117.3
299R32.1Very low34.2Very low208 Ų208117.2 Ų117.279%0.78574%0.742SS**  cis-176165.4-19.8-99.7-177.8-159.9-149.31.3107.3
300T32.3Very low34.3Very low118 Ų118119 Ų11972%0.72475%0.745SS**  cis-158.7154.3-10.83.20000108.9
301A31.2Very low34.2Very low80 Ų80122.9 Ų122.966%0.66176%0.756SS**  trans62.1172.9154.900000116.6
302E33.8Very low34.2Very low181 Ų181114.9 Ų114.985%0.84674%0.741SS**  cis-148-177.86.5-150.4137.1-110.100112.3
303S30.9Very low34.1Very low108 Ų108114.5 Ų114.576%0.75574%0.739SS**  trans-71.2-175.8178.956.50000113.7
304S33.8Very low33.8Very low95 Ų95119.1 Ų119.166%0.66474%0.739SS**  cis-166.2136.122.457.40000110.3
305S31.1Very low33.7Very low105 Ų105118.9 Ų118.973%0.73474%0.738SS**  89.3143.194.173.70000118.5
306A34.1Very low33.4Very low92 Ų92123.2 Ų123.276%0.7674%0.744SS**  trans66.2154.9161.900000117
307D34Very low33.2Very low167 Ų167120.6 Ų120.689%0.89374%0.737SS**  cis-153.1172.8-12.7-131.2-17.1000106.9
308G36.1Very low32.8Very low61 Ų61124.6 Ų124.663%0.62975%0.747SS**  cis166.3144.2-0.200000111.8
309G34.7Very low32.7Very low74 Ų74123.8 Ų123.876%0.76374%0.743SS**  trans85.6155.2157.700000120.1
310T35.9Very low32.6Very low120 Ų120121.2 Ų121.274%0.73674%0.739SS**  cis-161.7123.1-7.9-72.60000111.3
311Q33.2Very low32.4Very low183 Ų183123.8 Ų123.886%0.85574%0.743SS**  trans40.7167.9140.6-48.7179.7100121.1
312A35.1Very low32.1Very low71 Ų71128.8 Ų128.859%0.58775%0.753SS**  cis-160.4142.718.100000114.9
313T32.4Very low31.8Very low114 Ų114126.2 Ų126.270%0.69975%0.745SS**  trans53.4150.4130.563.30000123.2
314M29.8Very low31.9Very low181 Ų181130.1 Ų130.189%0.89275%0.751SS**  cis-168164.6-11.2-114.2-167.9-74.800112.2
315G34.2Very low31.6Very low67 Ų67129.1 Ų129.169%0.69174%0.742SS**  trans109111.2166.200000113.9
316K29.8Very low31.7Very low203 Ų203131.5 Ų131.588%0.88375%0.751SS**  61.212452.5-64.9-169173.1-175.80112.5
317S31.9Very low31.5Very low99 Ų99134.4 Ų134.469%0.69275%0.747SS**  cis-150175.526.2-63.20000114.2
318Q29Very low31.3Very low165 Ų165133.8 Ų133.877%0.77174%0.739SS**  trans7.8148.8144.1-72.2168-9900120.3
319D32Very low30.9Very low108 Ų108142.4 Ų142.458%0.57875%0.752SS**  cis-157.6171.126-129.6-48.5000114.8
320Q29.8Very low30.5Very low153 Ų153144 Ų14472%0.71575%0.749SS**  trans26.2112.6158.1-76.6151.475.100123.3
321E26.8Very low30.1Very low173 Ų173148.3 Ų148.381%0.80875%0.752SS**  40.2101.1111.3-165.6178.3179.600120.4
322Q26.9Very low30Very low185 Ų185147 Ų14786%0.86475%0.745SS**  -167.9150.9116.8-108176.230.200115.5
323D27.4Very low29.7Very low127 Ų127151.7 Ų151.768%0.67976%0.755SS**  trans-30.5134.5174.1179.215000117.6T325D323-T325 PolarHBondContact OD1-N 3.36Å; D323-T325 VanDerWaalsContact OD1-N 3.07Å
324Q31.6Very low29.6Very low189 Ų189152.2 Ų152.288%0.88376%0.761SS**  trans-148.289.7150-131.3164.5114.400115.1
325T27.6Very low29.5Very low75 Ų75150.9 Ų150.946%0.4676%0.756SS.*  trans-22.7128.2161.362.10000117.4D323 K327D323-T325 PolarHBondContact OD1-N 3.36Å; D323-T325 VanDerWaalsContact OD1-N 3.07Å; T325-K327 PolarHBondContact O-N 3.28Å; T325-K327 VanDerWaalsContact OG1-CE 3.29Å; T325-K327 WeakPolarHBondContact OG1-CE 3.37Å
326V34.2Very low29.3Very low155 Ų155152.8 Ų152.894%0.93976%0.759SS**  trans-78.3116.1157.6176.70000108.8
327K29Very low29.2Very low152 Ų152151.2 Ų151.266%0.66175%0.753SS**  trans-100.7130-166.9-84.3173.9175.9161.30115.1T325T325-K327 PolarHBondContact O-N 3.28Å; T325-K327 VanDerWaalsContact OG1-CE 3.29Å; T325-K327 WeakPolarHBondContact OG1-CE 3.37Å
328Q29.2Very low29Very low155 Ų155157.7 Ų157.772%0.72476%0.762SS**  trans55.5125.8132.7-62179.2-4.700120.9
329R27.5Very low28.9Very low241 Ų241157.6 Ų157.691%0.90976%0.759SS**  -142.2105.2113.7-97-167.2178.6-173.70.5111.4
330P26.8Very low29Very low107 Ų107158.8 Ų158.870%0.69577%0.771SS**  trans-87.7133.2168.933.4-31.8000111.5
331R28.1Very low28.9Very low212 Ų212157.6 Ų157.680%0.877%0.769SS**  trans-156.7143.9171.8-93.3-166.9161.1169.4-3.4109
332Q30.3Very low29Very low154 Ų154159.2 Ų159.272%0.7277%0.769SS**  cis-157.4144.1-18.3-139.7165.2-2100107.2
333Q28.9Very low29.4Very low170 Ų170155.4 Ų155.479%0.79476%0.76SS**PPolyproline II helixtrans-81.8144.8178.5-72.5-176.5-13.900112.1
334P30.2Very low29.6Very low125 Ų125159 Ų15981%0.81277%0.773SS**PPolyproline II helixtrans-88.4134.9144.4-4.824.2000110.1
335L27.3Very low29.8Very low153 Ų153151.9 Ų151.980%0.80174%0.743SS**PPolyproline II helixtrans-87.9139.4172.2-74.5155.7000110.4
336S30.9Very low30.4Very low108 Ų108151.7 Ų151.776%0.75574%0.744SS**  -178134.7124.138.20000114.2
337F27Very low30.8Very low169 Ų169148.1 Ų148.174%0.74173%0.731SS**  trans19.4124.3146.2-69-105000118.1
338W29.5Very low31.6Very low235 Ų235145.8 Ų145.889%0.8973%0.73SS**  -130.1153.657.5-76.479.1000113.9
339K26.6Very low32.3Very low164 Ų164142.8 Ų142.871%0.71372%0.715SS**  trans-123.194.4-170.7-172.8178.6-177.9178.80111.8N341K339-N341 VanDerWaalsContact CE-OD1 3.29Å; K339-N341 WeakPolarHBondContact CE-OD1 3.41Å; K339-N341 PolarHBondContact O-N 2.96Å
340T34.3Very low33.2Very low133 Ų133135.6 Ų135.682%0.81670%0.695SS**  trans-75.4102.7166.2380000109.2Y342T340-Y342 PolarHBondContact O-N 3.44Å; T340-Y342 VanDerWaalsContact O-N 3.15Å
341N27.6Very low34.3Very low127 Ų127137.6 Ų137.668%0.67969%0.693SS**  trans-68.6110.5-179-72.7-42.5000111.2K339K339-N341 VanDerWaalsContact CE-OD1 3.29Å; K339-N341 WeakPolarHBondContact CE-OD1 3.41Å; K339-N341 PolarHBondContact O-N 2.96Å
342Y28.9Very low35.9Very low208 Ų208132.1 Ų132.182%0.81668%0.679SS**  trans-103.7124.6155.4-94.5-84.6000109.2T340T340-Y342 PolarHBondContact O-N 3.44Å; T340-Y342 VanDerWaalsContact O-N 3.15Å
343P34.5Very low37Very low104 Ų104130 Ų13068%0.67567%0.667SS**  trans-70.4131172.828.5-32.3000109.9T345P343-T345 PolarHBondContact O-N 2.98Å; P343-T345 VanDerWaalsContact O-N 3.08Å
344Q32.4Very low38.5Very low204 Ų204127.5 Ų127.595%0.95366%0.656SS**  trans-66.1108.7170.7-80-174-33.100109.5
345T36.1Very low40.2Very low39 Ų39125.7 Ų125.724%0.23964%0.642CS.*  trans-82.4134.2174.656.30000110P343 Q349 K353P343-T345 PolarHBondContact O-N 2.98Å; P343-T345 VanDerWaalsContact O-N 3.08Å; T345-Q349 VanDerWaalsContact CB-OE1 3.27Å; T345-K353 VanDerWaalsContact CG2-NZ 3.33Å; T345-K353 PolarHBondContact OG1-NZ 3.36Å
346S40.1Very low42Very low71 Ų71122.8 Ų122.850%0.49763%0.631SS.*  trans-59.8161.5-17756.80000113.5T348 Q349 L350S346-T348 PolarHBondContact O-N 3.48Å; S346-Q349 PolarHBondContact O-N 2.81Å; S346-L350 PolarHBondContact O-N 3.34Å
347A42.2Very low43.3Very low80 Ų80119.9 Ų119.966%0.66161%0.614SS**Hα-helixtrans-55.3-27.2-176.400000114.4L350 K351A347-L350 WeakPolarHBondContact O-CB 3.49Å; A347-L350 PolarHBondContact O-N 2.86Å; A347-K351 PolarHBondContact O-N 3.49Å
348T44.5Very low45.2Very low103 Ų103114.6 Ų114.663%0.63260%0.601SS**Hα-helixtrans-63.5-46.9172.4-6.80000111.8S346 L350 K351 D352S346-T348 PolarHBondContact O-N 3.48Å; T348-L350 PolarHBondContact O-N 2.89Å; T348-K351 PolarHBondContact O-N 3.29Å; T348-K351 VanDerWaalsContact O-N 3.13Å; T348-D352 PolarHBondContact O-N 3.05Å; T348-D352 VanDerWaalsContact O-N 3.15Å
349Q44.7Very low47.2Very low91 Ų91107.9 Ų107.943%0.42559%0.586SS.*Hα-helixtrans-69.1-17.7176.2-69.6-169.522.200113.2T345 S346 K353T345-Q349 VanDerWaalsContact CB-OE1 3.27Å; S346-Q349 PolarHBondContact O-N 2.81Å; Q349-K353 VanDerWaalsContact O-CB 3.31Å; Q349-K353 WeakPolarHBondContact O-CB 3.43Å; Q349-K353 WeakPolarHBondContact O-CD 3.45Å; Q349-K353 WeakPolarHBondContact O-CG 3.48Å; Q349-K353 PolarHBondContact O-N 3.33Å
350L46.8Very low49.2Very low91 Ų91104 Ų10448%0.47658%0.575SS.*Hα-helixtrans-66.7-45.9169.5-103.2155.8000110.6S346 A347 T348 D352 K353 E354S346-L350 PolarHBondContact O-N 3.34Å; A347-L350 WeakPolarHBondContact O-CB 3.49Å; A347-L350 PolarHBondContact O-N 2.86Å; T348-L350 PolarHBondContact O-N 2.89Å; L350-D352 VanDerWaalsContact C-N 3.34Å; L350-D352 PolarHBondContact O-N 3.45Å; L350-K353 PolarHBondContact O-N 3.08Å; L350-E354 WeakPolarHBondContact O-CB 3.32Å; L350-E354 WeakPolarHBondContact O-CG 3.42Å; L350-E354 PolarHBondContact O-N 3.15Å
351K49Very low50.7Low149 Ų14999.3 Ų99.365%0.64855%0.548SS*.Hα-helixtrans-62.4-37.2171.8-91-172.6170.6-176.20113.3A347 T348 T355A347-K351 PolarHBondContact O-N 3.49Å; T348-K351 PolarHBondContact O-N 3.29Å; T348-K351 VanDerWaalsContact O-N 3.13Å; K351-T355 WeakPolarHBondContact O-CB 3.49Å; K351-T355 PolarHBondContact O-N 2.9Å; K351-T355 PolarHBondContact O-OG1 3.39Å
352D61.4Low52.8Low97 Ų9796.1 Ų96.152%0.51954%0.54SS..Hα-helixtrans-66.2-41.9175.2-60.5-35.3000111T348 L350 T355 V356T348-D352 PolarHBondContact O-N 3.05Å; T348-D352 VanDerWaalsContact O-N 3.15Å; L350-D352 VanDerWaalsContact C-N 3.34Å; L350-D352 PolarHBondContact O-N 3.45Å; D352-T355 PolarHBondContact O-N 3.48Å; D352-V356 WeakPolarHBondContact O-CB 3.35Å; D352-V356 WeakPolarHBondContact O-CG2 3.38Å; D352-V356 PolarHBondContact O-N 2.73Å
353K54Low54.8Low108 Ų10889 Ų8947%0.4752%0.524SS..Hα-helixtrans-66.1-39.6175.3-76.9169.6179.1178.20112.8T345 Q349 L350 V356 A357T345-K353 VanDerWaalsContact CG2-NZ 3.33Å; T345-K353 PolarHBondContact OG1-NZ 3.36Å; Q349-K353 VanDerWaalsContact O-CB 3.31Å; Q349-K353 WeakPolarHBondContact O-CB 3.43Å; Q349-K353 WeakPolarHBondContact O-CD 3.45Å; Q349-K353 WeakPolarHBondContact O-CG 3.48Å; Q349-K353 PolarHBondContact O-N 3.33Å; L350-K353 PolarHBondContact O-N 3.08Å; K353-V356 PolarHBondContact O-N 2.83Å; K353-A357 VanDerWaalsContact O-CB 3.24Å; K353-A357 WeakPolarHBondContact O-CB 3.48Å; K353-A357 PolarHBondContact O-N 3.02Å
354E60.1Low56.3Low119 Ų11986.3 Ų86.356%0.55651%0.51SS*.Hα-helixtrans-63.8-44.2173.7-74.5172.7160.400111L350 A357 A358L350-E354 WeakPolarHBondContact O-CB 3.32Å; L350-E354 WeakPolarHBondContact O-CG 3.42Å; L350-E354 PolarHBondContact O-N 3.15Å; E354-A357 PolarHBondContact O-N 3.28Å; E354-A358 WeakPolarHBondContact O-CB 3.47Å; E354-A358 PolarHBondContact O-N 3.04Å
355T65.5Low58.3Low86 Ų8680.1 Ų80.153%0.52849%0.486SS..Hα-helixtrans-60.8-46.8174.3-58.10000111.4K351 D352 A358 V359K351-T355 WeakPolarHBondContact O-CB 3.49Å; K351-T355 PolarHBondContact O-N 2.9Å; K351-T355 PolarHBondContact O-OG1 3.39Å; D352-T355 PolarHBondContact O-N 3.48Å; T355-A358 PolarHBondContact O-N 3.27Å; T355-V359 WeakPolarHBondContact O-CB 3.38Å; T355-V359 VanDerWaalsContact O-CG2 3.31Å; T355-V359 WeakPolarHBondContact O-CG2 3.43Å; T355-V359 PolarHBondContact O-N 3.34Å
356V66.6Low60.1Low93 Ų9381 Ų8156%0.56450%0.498SS*.Hα-helixtrans-64.2-41.2176.6169.90000111.4D352 K353 A358 V359 V360D352-V356 WeakPolarHBondContact O-CB 3.35Å; D352-V356 WeakPolarHBondContact O-CG2 3.38Å; D352-V356 PolarHBondContact O-N 2.73Å; K353-V356 PolarHBondContact O-N 2.83Å; V356-A358 PolarHBondContact O-N 2.71Å; V356-V359 PolarHBondContact O-N 3.43Å; V356-V360 HydrophobicContact CG1-CG2 4.36Å; V356-V360 WeakPolarHBondContact O-CB 3.47Å; V356-V360 VanDerWaalsContact O-CG2 3.31Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.97Å
357A58.2Low61.5Low47 Ų4780.5 Ų80.539%0.38850%0.497SS..Hα-helixtrans-65.2-37.817600000112.2K353 E354 S361K353-A357 VanDerWaalsContact O-CB 3.24Å; K353-A357 WeakPolarHBondContact O-CB 3.48Å; K353-A357 PolarHBondContact O-N 3.02Å; E354-A357 PolarHBondContact O-N 3.28Å; A357-S361 VanDerWaalsContact O-CB 3.32Å; A357-S361 WeakPolarHBondContact O-CB 3.42Å; A357-S361 PolarHBondContact O-N 3.01Å; A357-S361 PolarHBondContact O-OG 3.03Å
358A65.4Low62.8Low58 Ų5879.6 Ų79.648%0.47949%0.49SS..Hα-helixtrans-66.7-41.4173.300000111.9E354 T355 V356 S361 A362E354-A358 WeakPolarHBondContact O-CB 3.47Å; E354-A358 PolarHBondContact O-N 3.04Å; T355-A358 PolarHBondContact O-N 3.27Å; V356-A358 PolarHBondContact O-N 2.71Å; A358-S361 WeakPolarHBondContact O-CB 3.47Å; A358-S361 PolarHBondContact O-N 3.25Å; A358-A362 WeakPolarHBondContact O-CB 3.31Å; A358-A362 PolarHBondContact O-N 3.46Å
359V71.6Confident64.2Low93 Ų9377.3 Ų77.356%0.56448%0.482SS*.Hα-helixtrans-65.7-42.9175168.70000111.5T355 V356 S361 A362 A363T355-V359 WeakPolarHBondContact O-CB 3.38Å; T355-V359 VanDerWaalsContact O-CG2 3.31Å; T355-V359 WeakPolarHBondContact O-CG2 3.43Å; T355-V359 PolarHBondContact O-N 3.34Å; V356-V359 PolarHBondContact O-N 3.43Å; V359-S361 VanDerWaalsContact C-N 3.32Å; V359-S361 PolarHBondContact O-N 3.49Å; V359-A362 PolarHBondContact O-N 2.92Å; V359-A363 VanDerWaalsContact O-CB 3.28Å; V359-A363 WeakPolarHBondContact O-CB 3.35Å; V359-A363 PolarHBondContact O-N 3.27Å
360V70.1Confident65.6Low82 Ų8275.5 Ų75.550%0.49748%0.483SS..Hα-helixtrans-64.3-37.2173.61700000111V356 A363 A364V356-V360 HydrophobicContact CG1-CG2 4.36Å; V356-V360 WeakPolarHBondContact O-CB 3.47Å; V356-V360 VanDerWaalsContact O-CG2 3.31Å; V356-V360 WeakPolarHBondContact O-CG2 3.4Å; V356-V360 PolarHBondContact O-N 2.97Å; V360-A363 PolarHBondContact O-N 3.48Å; V360-A364 WeakPolarHBondContact O-CB 3.22Å; V360-A364 PolarHBondContact O-N 3.13Å
361S66Low66.7Low35 Ų3574.2 Ų74.225%0.24549%0.485CS..Hα-helixtrans-64.7-46.8174-58.70000112.1A357 A358 V359 A363 A364 V365 L1207A357-S361 VanDerWaalsContact O-CB 3.32Å; A357-S361 WeakPolarHBondContact O-CB 3.42Å; A357-S361 PolarHBondContact O-N 3.01Å; A357-S361 PolarHBondContact O-OG 3.03Å; A358-S361 WeakPolarHBondContact O-CB 3.47Å; A358-S361 PolarHBondContact O-N 3.25Å; V359-S361 VanDerWaalsContact C-N 3.32Å; V359-S361 PolarHBondContact O-N 3.49Å; S361-A363 VanDerWaalsContact C-N 3.33Å; S361-A363 PolarHBondContact O-N 3.04Å; S361-A364 PolarHBondContact O-N 3.01Å; S361-V365 WeakPolarHBondContact O-CG2 3.37Å; S361-V365 PolarHBondContact O-N 3.41Å; S361-L1207 WeakPolarHBondContact OG-CD2 3.27Å
362A69.7Low67.7Low61 Ų6169.2 Ų69.250%0.50447%0.472SS..Hα-helixtrans-62.2-41.3175.800000111.3A358 V359 V365 A366A358-A362 WeakPolarHBondContact O-CB 3.31Å; A358-A362 PolarHBondContact O-N 3.46Å; V359-A362 PolarHBondContact O-N 2.92Å; A362-V365 PolarHBondContact O-N 3.46Å; A362-A366 WeakPolarHBondContact O-CB 3.39Å; A362-A366 PolarHBondContact O-N 3.26Å
363A71.8Confident68.2Low58 Ų5867 Ų6748%0.47946%0.464SS..Hα-helixtrans-65.2-39.6175.300000112.4V359 V360 S361 A366 A367V359-A363 VanDerWaalsContact O-CB 3.28Å; V359-A363 WeakPolarHBondContact O-CB 3.35Å; V359-A363 PolarHBondContact O-N 3.27Å; V360-A363 PolarHBondContact O-N 3.48Å; S361-A363 VanDerWaalsContact C-N 3.33Å; S361-A363 PolarHBondContact O-N 3.04Å; A363-A366 PolarHBondContact O-N 3.26Å; A363-A367 VanDerWaalsContact O-CB 3.24Å; A363-A367 WeakPolarHBondContact O-CB 3.43Å; A363-A367 PolarHBondContact O-N 3.45Å
364A66.8Low68.9Low47 Ų4764.3 Ų64.339%0.38846%0.461SS..Hα-helixtrans-67.5-42.1175.600000112.1V360 S361 A367 A368 L1207V360-A364 WeakPolarHBondContact O-CB 3.22Å; V360-A364 PolarHBondContact O-N 3.13Å; S361-A364 PolarHBondContact O-N 3.01Å; A364-A367 PolarHBondContact O-N 3.43Å; A364-A368 WeakPolarHBondContact O-CB 3.27Å; A364-A368 PolarHBondContact O-N 3.5Å; A364-L1207 HydrophobicContact CB-CD1 4.24Å
365V73.2Confident69.3Low74 Ų7461.5 Ų61.545%0.44846%0.455SS..Hα-helixtrans-66.5-39.3174.4171.70000111.2S361 A362 A368 A369S361-V365 WeakPolarHBondContact O-CG2 3.37Å; S361-V365 PolarHBondContact O-N 3.41Å; A362-V365 PolarHBondContact O-N 3.46Å; V365-A368 PolarHBondContact O-N 2.93Å; V365-A369 WeakPolarHBondContact O-CB 3.4Å; V365-A369 PolarHBondContact O-N 3.27Å
366A73.9Confident69.5Low59 Ų5959.6 Ų59.649%0.48844%0.44SS..Hα-helixtrans-66.3-39.7174.100000111.9A362 A363 A369 A370A362-A366 WeakPolarHBondContact O-CB 3.39Å; A362-A366 PolarHBondContact O-N 3.26Å; A363-A366 PolarHBondContact O-N 3.26Å; A366-A369 PolarHBondContact O-N 3.09Å; A366-A370 VanDerWaalsContact O-CB 3.23Å; A366-A370 WeakPolarHBondContact O-CB 3.26Å; A366-A370 PolarHBondContact O-N 2.94Å
367A70.4Confident69.2Low59 Ų5960.5 Ų60.549%0.48844%0.438SS..Hα-helixtrans-66.5-38.5174.600000112.1A363 A364 A370 A371A363-A367 VanDerWaalsContact O-CB 3.24Å; A363-A367 WeakPolarHBondContact O-CB 3.43Å; A363-A367 PolarHBondContact O-N 3.45Å; A364-A367 PolarHBondContact O-N 3.43Å; A367-A370 PolarHBondContact O-N 3.39Å; A367-A371 WeakPolarHBondContact O-CB 3.44Å; A367-A371 PolarHBondContact O-N 2.9Å
368A69.3Low69.2Low62 Ų6264.3 Ų64.351%0.51245%0.448SS..Hα-helixtrans-65.9-42.1173.200000111.9A364 V365 A371 A372A364-A368 WeakPolarHBondContact O-CB 3.27Å; A364-A368 PolarHBondContact O-N 3.5Å; V365-A368 PolarHBondContact O-N 2.93Å; A368-A371 PolarHBondContact O-N 3.27Å; A368-A372 WeakPolarHBondContact O-CB 3.45Å; A368-A372 PolarHBondContact O-N 3.44Å
369A73.4Confident68.8Low54 Ų5468.5 Ų68.545%0.44646%0.458SS..Hα-helixtrans-66.7-35.9173.900000112.5V365 A366 S373V365-A369 WeakPolarHBondContact O-CB 3.4Å; V365-A369 PolarHBondContact O-N 3.27Å; A366-A369 PolarHBondContact O-N 3.09Å; A369-S373 WeakPolarHBondContact O-CB 3.47Å; A369-S373 PolarHBondContact O-N 3.39Å; A369-S373 PolarHBondContact O-OG 3.37Å
370A73.6Confident67.9Low54 Ų5467.3 Ų67.345%0.44645%0.446SS..Hα-helixtrans-67.6-38.817300000111.8A366 A367 S373 A374A366-A370 VanDerWaalsContact O-CB 3.23Å; A366-A370 WeakPolarHBondContact O-CB 3.26Å; A366-A370 PolarHBondContact O-N 2.94Å; A367-A370 PolarHBondContact O-N 3.39Å; A370-S373 WeakPolarHBondContact CA-OG 3.32Å; A370-S373 PolarHBondContact O-OG 2.9Å; A370-A374 WeakPolarHBondContact O-CB 3.42Å; A370-A374 PolarHBondContact O-N 3.25Å
371A70Confident66.9Low64 Ų6469.6 Ų69.653%0.52945%0.451SS..Hα-helixtrans-67.3-42.4174.300000112A367 A368 A374 S375A367-A371 WeakPolarHBondContact O-CB 3.44Å; A367-A371 PolarHBondContact O-N 2.9Å; A368-A371 PolarHBondContact O-N 3.27Å; A371-A374 PolarHBondContact O-N 2.92Å; A371-S375 WeakPolarHBondContact O-CB 3.23Å; A371-S375 PolarHBondContact O-N 3.19Å
372A71.8Confident65.9Low44 Ų4473.4 Ų73.436%0.36447%0.465SS..Hα-helixtrans-59.6-56.1174.100000111.1A368 A374 S375 E376A368-A372 WeakPolarHBondContact O-CB 3.45Å; A368-A372 PolarHBondContact O-N 3.44Å; A372-A374 VanDerWaalsContact C-N 3.33Å; A372-A374 PolarHBondContact O-N 2.93Å; A372-S375 WeakPolarHBondContact O-CA 3.37Å; A372-S375 WeakPolarHBondContact O-CB 3.48Å; A372-S375 PolarHBondContact O-N 3Å; A372-S375 PolarHBondContact O-OG 2.78Å; A372-E376 PolarHBondContact O-N 3.47Å
373S71.1Confident64.6Low51 Ų5174 Ų7436%0.35747%0.465SS..Hα-helixtrans-65.3-30.2179.355.30000113.6A369 A370 E376 Q377A369-S373 WeakPolarHBondContact O-CB 3.47Å; A369-S373 PolarHBondContact O-N 3.39Å; A369-S373 PolarHBondContact O-OG 3.37Å; A370-S373 WeakPolarHBondContact CA-OG 3.32Å; A370-S373 PolarHBondContact O-OG 2.9Å; S373-E376 PolarHBondContact O-N 3.09Å; S373-Q377 WeakPolarHBondContact O-CB 3.41Å; S373-Q377 VanDerWaalsContact O-CG 3.31Å; S373-Q377 WeakPolarHBondContact O-CG 3.44Å; S373-Q377 PolarHBondContact O-N 3.09Å
374A69.5Low63Low50 Ų5078.4 Ų78.441%0.41348%0.48SS..Hα-helixtrans-67.6-38.2169.500000112.2A370 A371 A372 Q377 Q378A370-A374 WeakPolarHBondContact O-CB 3.42Å; A370-A374 PolarHBondContact O-N 3.25Å; A371-A374 PolarHBondContact O-N 2.92Å; A372-A374 VanDerWaalsContact C-N 3.33Å; A372-A374 PolarHBondContact O-N 2.93Å; A374-Q377 PolarHBondContact O-N 3.29Å; A374-Q378 PolarHBondContact O-N 3.27Å
375S67.4Low61.5Low61 Ų6179.5 Ų79.543%0.42749%0.485SS..Hα-helixtrans-66.5-37.9174.178.90000112A371 A372 Q378 Q379A371-S375 WeakPolarHBondContact O-CB 3.23Å; A371-S375 PolarHBondContact O-N 3.19Å; A372-S375 WeakPolarHBondContact O-CA 3.37Å; A372-S375 WeakPolarHBondContact O-CB 3.48Å; A372-S375 PolarHBondContact O-N 3Å; A372-S375 PolarHBondContact O-OG 2.78Å; S375-Q378 PolarHBondContact O-N 3.05Å; S375-Q379 PolarHBondContact O-N 3.47Å
376E69.5Low59.8Low45 Ų4582.4 Ų82.421%0.2150%0.497CS..Hα-helixtrans-63.7-48.5171.4-72.3178.4-122.200112.1T264 A372 S373 Q378 Q379 Q380T264-E376 VanDerWaalsContact CB-OE1 3.24Å; T264-E376 WeakPolarHBondContact CB-OE1 3.46Å; T264-E376 WeakPolarHBondContact CB-OE2 3.42Å; T264-E376 HydrophobicContact CG2-CG 4.5Å; T264-E376 PolarHBondContact OG1-OE1 3.25Å; T264-E376 PolarHBondContact OG1-OE2 3.21Å; A372-E376 PolarHBondContact O-N 3.47Å; S373-E376 PolarHBondContact O-N 3.09Å; E376-Q378 PolarHBondContact O-N 3.43Å; E376-Q379 CarbonylContact O-C 3.49Å; E376-Q379 PolarHBondContact O-N 3.48Å; E376-Q380 WeakPolarHBondContact O-CB 3.42Å; E376-Q380 WeakPolarHBondContact O-CG 3.3Å; E376-Q380 PolarHBondContact O-N 3.47Å
377Q61.4Low58Low113 Ų11388.6 Ų88.653%0.52852%0.515SS..Hα-helixtrans-61.9-33.9177.9-75.2-176.310.700111.3S373 A374 Q381S373-Q377 WeakPolarHBondContact O-CB 3.41Å; S373-Q377 VanDerWaalsContact O-CG 3.31Å; S373-Q377 WeakPolarHBondContact O-CG 3.44Å; S373-Q377 PolarHBondContact O-N 3.09Å; A374-Q377 PolarHBondContact O-N 3.29Å; Q377-Q381 VanDerWaalsContact O-CB 3.23Å; Q377-Q381 WeakPolarHBondContact O-CB 3.13Å; Q377-Q381 WeakPolarHBondContact O-CG 3.05Å; Q377-Q381 PolarHBondContact O-N 2.89Å
378Q57.2Low56.5Low127 Ų12794.6 Ų94.659%0.59353%0.533SS*.Hα-helixtrans-66.3-40.1169.7-77.8-166.4-1200113A374 S375 E376 Q382A374-Q378 PolarHBondContact O-N 3.27Å; S375-Q378 PolarHBondContact O-N 3.05Å; E376-Q378 PolarHBondContact O-N 3.43Å; Q378-Q382 VanDerWaalsContact O-CB 3.25Å; Q378-Q382 WeakPolarHBondContact O-CB 3.19Å; Q378-Q382 WeakPolarHBondContact O-CG 3.06Å; Q378-Q382 PolarHBondContact O-N 2.99Å
379Q56.5Low54.8Low146 Ų146102.4 Ų102.468%0.68255%0.549SS*.Hα-helixtrans-69.5-36.6175.6-71-174.3700112.8S375 E376 S383S375-Q379 PolarHBondContact O-N 3.47Å; E376-Q379 CarbonylContact O-C 3.49Å; E376-Q379 PolarHBondContact O-N 3.48Å; Q379-S383 PolarHBondContact O-N 2.97Å; Q379-S383 VanDerWaalsContact O-N 3.08Å; Q379-S383 PolarHBondContact O-OG 3.39Å
380Q53.6Low52.8Low68 Ų68108.6 Ų108.632%0.31856%0.561SS.*Hα-helixtrans-72-38.1176.1-66.8-174.129.400112.2A261 E376 S383 L384A261-Q380 HydrophobicContact CB-CG 4.5Å; E376-Q380 WeakPolarHBondContact O-CB 3.42Å; E376-Q380 WeakPolarHBondContact O-CG 3.3Å; E376-Q380 PolarHBondContact O-N 3.47Å; Q380-S383 WeakPolarHBondContact CA-OG 3.37Å; Q380-S383 PolarHBondContact O-N 3.47Å; Q380-S383 PolarHBondContact O-OG 3.17Å; Q380-S383 VanDerWaalsContact O-OG 3.07Å; Q380-L384 PolarHBondContact O-N 2.97Å
381Q49.8Very low50.9Low130 Ų130112.2 Ų112.261%0.60757%0.573SS**Hα-helixtrans-75.7-29.9175.2-69.4177.119.100112.7Q377 L384 S385Q377-Q381 VanDerWaalsContact O-CB 3.23Å; Q377-Q381 WeakPolarHBondContact O-CB 3.13Å; Q377-Q381 WeakPolarHBondContact O-CG 3.05Å; Q377-Q381 PolarHBondContact O-N 2.89Å; Q381-L384 PolarHBondContact O-N 2.94Å; Q381-S385 WeakPolarHBondContact O-CB 3.44Å; Q381-S385 PolarHBondContact O-N 3.16Å; Q381-S385 PolarHBondContact O-OG 2.88Å
382Q43.6Very low49.3Very low115 Ų115115.1 Ų115.154%0.53759%0.589SS.*Hα-helixtrans-70-33.5171.3-75176.537.100112.1Q378 L384 I386Q378-Q382 VanDerWaalsContact O-CB 3.25Å; Q378-Q382 WeakPolarHBondContact O-CB 3.19Å; Q378-Q382 WeakPolarHBondContact O-CG 3.06Å; Q378-Q382 PolarHBondContact O-N 2.99Å; Q382-L384 PolarHBondContact O-N 3.25Å; Q382-I386 VanDerWaalsContact O-CD1 3.27Å; Q382-I386 WeakPolarHBondContact O-CD1 3.49Å; Q382-I386 VanDerWaalsContact O-CG1 3.3Å; Q382-I386 WeakPolarHBondContact O-CG1 3.31Å
383S43Very low47.4Very low73 Ų73116.1 Ų116.151%0.5160%0.603SS.*THydrogen-bonded Turntrans-73.9-7175.642.70000114.8Q379 Q380Q379-S383 PolarHBondContact O-N 2.97Å; Q379-S383 VanDerWaalsContact O-N 3.08Å; Q379-S383 PolarHBondContact O-OG 3.39Å; Q380-S383 WeakPolarHBondContact CA-OG 3.37Å; Q380-S383 PolarHBondContact O-N 3.47Å; Q380-S383 PolarHBondContact O-OG 3.17Å; Q380-S383 VanDerWaalsContact O-OG 3.07Å
384L38.3Very low45.3Very low150 Ų150124.4 Ų124.479%0.78563%0.628SS**THydrogen-bonded Turntrans-120.411.5177.5-69.3174.5000115Q380 Q381 Q382Q380-L384 PolarHBondContact O-N 2.97Å; Q381-L384 PolarHBondContact O-N 2.94Å; Q382-L384 PolarHBondContact O-N 3.25Å
385S35.8Very low43.4Very low70 Ų70131 Ų13149%0.4965%0.651SS.*THydrogen-bonded Turntrans-1270.6-178.3560000115.9Q381 E387Q381-S385 WeakPolarHBondContact O-CB 3.44Å; Q381-S385 PolarHBondContact O-N 3.16Å; Q381-S385 PolarHBondContact O-OG 2.88Å; S385-E387 PolarHBondContact O-N 3.01Å
386I37.5Very low41.7Very low136 Ų136135.4 Ų135.470%0.69767%0.665SS**G310 helixtrans-75-23.1-171.5-78170.2000114.4Q382 H388Q382-I386 VanDerWaalsContact O-CD1 3.27Å; Q382-I386 WeakPolarHBondContact O-CD1 3.49Å; Q382-I386 VanDerWaalsContact O-CG1 3.3Å; Q382-I386 WeakPolarHBondContact O-CG1 3.31Å; I386-H388 PolarHBondContact O-N 2.94Å
387E34.8Very low39.9Very low188 Ų188141.3 Ų141.388%0.87969%0.692SS**G310 helixtrans-77.1-18.1-177.4-64.8-161.6125.200114.8S385S385-E387 PolarHBondContact O-N 3.01Å
388H38.5Very low38.3Very low185 Ų185143.7 Ų143.786%0.85670%0.703SS**G310 helixtrans-109.617-169.1-92.387.5000116.1I386I386-H388 PolarHBondContact O-N 2.94Å
389R35.2Very low36.9Very low227 Ų227145.1 Ų145.186%0.85771%0.71SS**  trans-130.227.8178.6-144.9179.7-72.6-164.2-0.7116.7
390R31.6Very low35.5Very low184 Ų184145.9 Ų145.969%0.69471%0.713SS**SBendtrans-104.878.4164-81.3-176.8171.5146.9-6.9111.3
391N33.4Very low34.5Very low130 Ų130149 Ų14970%0.69573%0.732SS**SBendtrans167.360.4151.5-87.8-15.5000113.6
392S35.7Very low33.3Very low125 Ų125152.5 Ų152.587%0.87474%0.741SS**  trans-173.9144.2154.2-167.80000107.2
393G31Very low32.6Very low64 Ų64157 Ų15766%0.6675%0.754SS**  cis169.3128-1.600000106.9Q395G393-Q395 PolarHBondContact O-N 3.4Å
394Y28.1Very low31.8Very low225 Ų225157.7 Ų157.788%0.88276%0.757SS**  trans-70123.8-175.2-96.5-102.1000111.2
395Q30Very low31.3Very low188 Ų188159.3 Ų159.388%0.87975%0.754SS**  trans-142.3131.8149.4-110.4173.84.500110.1G393G393-Q395 PolarHBondContact O-N 3.4Å
396Q31.9Very low30.8Very low155 Ų155165.2 Ų165.272%0.72477%0.767SS**  trans-85.1147.2173.2-66.3171.4-38.200109.1
397H30.7Very low30.4Very low169 Ų169169.9 Ų169.978%0.78278%0.777SS**  trans-131.2113148.1-104.348.9000108.4
398Q27.2Very low30.2Very low163 Ų163166 Ų16676%0.76277%0.772SS**  trans-82.5130.6159.1-66.4175.9-7.900106.8
399Q29.5Very low29.6Very low156 Ų156165.7 Ų165.773%0.72977%0.77SS**  trans-130.2118.9160.6-74.1-167.3-14.600108.7N401Q399-N401 PolarHBondContact O-N 3.31Å
400H27Very low29.6Very low163 Ų163160.9 Ų160.976%0.75577%0.768SS**  trans-73.6117.4166.5-87.9-99.5000108.4
401N31.3Very low29.4Very low134 Ų134161.2 Ų161.272%0.71778%0.775SS**  trans-103102.8161.9-84.6-15.4000109.2Q399Q399-N401 PolarHBondContact O-N 3.31Å
402Y24.8Very low29.1Very low202 Ų202162.5 Ų162.579%0.79278%0.777SS**  trans-76.6124164.5-105.8-102.7000108.9
403Y29.3Very low28.8Very low210 Ų210164 Ų16482%0.82477%0.774SS**  trans-129.3112.5163.6-91.1-83.1000109.2
404P26.4Very low28.6Very low87 Ų87166.6 Ų166.657%0.56578%0.777SS**  trans-96.5-177.7171.827.5-13.5000111.5
405Y27Very low28.6Very low185 Ų185163.1 Ų163.173%0.72577%0.773SS**  trans70.7135.2177.5-58.9-111.5000114.1
406Y26.9Very low28.4Very low194 Ų194158.5 Ų158.576%0.76177%0.766SS**  cis-155.6145.6-15.9-113.3-28.2000107.8
407Y28.8Very low28.2Very low233 Ų233155 Ų15591%0.91476%0.759SS**  trans-137.3137.2156.3-113.2-92.5000109
408S29.1Very low28Very low108 Ų108156 Ų15676%0.75576%0.761SS**PPolyproline II helixtrans-80.4125.4-171.251.70000112.2P410S408-P410 WeakPolarHBondContact O-CD 3.45Å
409Q25.8Very low28.2Very low177 Ų177155.8 Ų155.883%0.82777%0.765SS**PPolyproline II helixtrans-69.6126.8171.3-68.4-176.8-9.600111.7
410P35.1Very low28.2Very low126 Ų126157 Ų15782%0.81877%0.77SS**PPolyproline II helixtrans-65.7139.7146.6-11.229000108.5S408S408-P410 WeakPolarHBondContact O-CD 3.45Å
411K28.8Very low28.3Very low192 Ų192157.7 Ų157.784%0.83577%0.771SS**PPolyproline II helixtrans-76.7139-170.5-64.6167.6-177170.80111.3
412Q26.7Very low28.4Very low157 Ų157158.1 Ų158.173%0.73477%0.769SS**PPolyproline II helixtrans-61.3135160.5-68.4-177.7-14.900109.6
413L29Very low28.5Very low155 Ų155156 Ų15681%0.81277%0.768SS**  trans-134.395166.8-108.1168.9000109.5I415L413-I415 PolarHBondContact O-N 3.1Å
414T28Very low28.7Very low120 Ų120152.8 Ų152.874%0.73677%0.765SS**  trans-74.7116.4177.1-52.50000110.2A416T414-A416 HydrophobicContact CG2-CB 4.35Å
415I28.1Very low28.9Very low152 Ų152153.8 Ų153.878%0.77977%0.771SS**  trans-123.691.9165.1-57.2-177000108.1L413L413-I415 PolarHBondContact O-N 3.1Å
416A25.2Very low29.1Very low90 Ų90152.8 Ų152.874%0.74478%0.778SS**  trans-136.665179.900000110.4T414T414-A416 HydrophobicContact CG2-CB 4.35Å
417S27.4Very low29.4Very low82 Ų82148.4 Ų148.457%0.57378%0.776SS**  trans-164.1141.217357.40000110.5
418F27.3Very low29.6Very low189 Ų189143.4 Ų143.483%0.82977%0.77SS**  trans68.8127.6179.3-53.6-78.1000114.1
419L31.5Very low29.7Very low160 Ų160145.3 Ų145.384%0.83877%0.767SS**  cis-143.71641-104.6161.5000111.5
420Q28.1Very low30Very low180 Ų180144.4 Ų144.484%0.84176%0.76SS**  trans-139.7156.7176-167.6177.625.800108.1
421K29.6Very low29.8Very low178 Ų178143.5 Ų143.577%0.77476%0.757SS**  trans69.8141.2-176.9-92.5-164163.1-140.50114.2
422E32.5Very low29.9Very low143 Ų143139.2 Ų139.267%0.66875%0.751SS**  cis-135.8149.9-4.1-55.6-159.4115.500107.4
423M28.2Very low30.1Very low158 Ų158136.5 Ų136.578%0.77875%0.749SS**  49.2114.664.6-67.3-76.1-74.200112
424L33Very low30.4Very low143 Ų143136.4 Ų136.475%0.74975%0.75SS**  cis-148.6164.810.2-83.2157.5000109.5
425P30.7Very low30.7Very low108 Ų108136.9 Ų136.970%0.70175%0.752SS**  trans-87.8157.8170.336.7-34.1000112.7
426D32.1Very low30.8Very low163 Ų163133.7 Ų133.787%0.87276%0.757SS**  -161.4164128.9-117.2-26.7000112.7
427S32.4Very low31.2Very low102 Ų102133.2 Ų133.271%0.71376%0.761SS**  trans-113.3176179.157.90000109.8
428T34.1Very low31.6Very low128 Ų128134.4 Ų134.479%0.78577%0.769SS**  cis-145.5177.725.246.80000113.5
429E30.2Very low32Very low148 Ų148132.2 Ų132.269%0.69277%0.766SS**  trans-52.2166.2-179.5-46.1174.297.900119.6
430K32.1Very low32Very low159 Ų159131.7 Ų131.769%0.69176%0.762SS**  trans105.7118.9131.7-92.5154.2-170.51540121.7
431S30.2Very low32.3Very low107 Ų107129.3 Ų129.375%0.74875%0.753SS**  trans79.5135.9144.443.10000122.6
432S32.4Very low32.4Very low101 Ų101131.8 Ų131.871%0.70676%0.758SS**  trans59.6100.5155.348.80000120.2
433S30.7Very low32.5Very low101 Ų101129.5 Ų129.571%0.70676%0.757SS**  21.3121.4126.856.30000117.5
434N33.7Very low32.7Very low153 Ų153127 Ų12782%0.81876%0.756SS**  -165.1177.668.8-117.1-14.4000115.7
435T34.2Very low32.8Very low129 Ų129125 Ų12579%0.79175%0.753SS**  trans-45.9147.3-178.848.70000117.7
436G31.6Very low32.8Very low86 Ų86128 Ų12889%0.88776%0.764SS**  trans-68.4171-17200000119
437G33.4Very low32.9Very low80 Ų80124 Ų12483%0.82576%0.761SS**  trans-167.8119.3175.400000110.3
438S35Very low32.9Very low106 Ų106126.5 Ų126.574%0.74177%0.766SS**  trans-85.8164.1-166.1-47.60000115.2
439N36.3Very low32.9Very low144 Ų144124.5 Ų124.577%0.7776%0.758SS**  trans72.9155154.4-63.4-24.3000117.5
440M31.7Very low33Very low149 Ų149124.6 Ų124.673%0.73476%0.763SS**  cis-168.1162.8-13.9-105.2-91.9-160.800109.4
441I35.1Very low33.1Very low129 Ų129127.5 Ų127.566%0.66278%0.776SS**  trans67.6118.5145-75.4164.9000120.8
442R31.6Very low33Very low231 Ų231128.1 Ų128.187%0.87278%0.78SS**  trans49.9155.1132.6-59.9-176.4-175.4174.50.5121
443S32.8Very low33Very low94 Ų94134.1 Ų134.166%0.65779%0.787SS**  cis-173.4170.3-12.948.90000110.2
444S32.7Very low33.1Very low107 Ų107137.2 Ų137.275%0.74879%0.79SS**  trans65.4155.6160.629.80000117.2
445S35.4Very low33Very low100 Ų100139.3 Ų139.370%0.69980%0.795SS**  cis-168.7155.7-12.945.70000111.1
446N31.8Very low33Very low172 Ų172144.3 Ų144.392%0.9280%0.801SS**  trans37.9131.9154.1-64.3-1.4000122
447G33.1Very low32.9Very low79 Ų79144 Ų14481%0.81480%0.797SS**  trans-175.682.6166.400000117.6
448N33.3Very low32.8Very low153 Ų153149.4 Ų149.482%0.81880%0.801SS**  trans37.8105.5150.9-83.611.7000123.5
449S34.6Very low32.7Very low87 Ų87153.7 Ų153.761%0.60881%0.809SS**  66.8129.1109.975.30000123.7
450N31.7Very low32.5Very low149 Ų149151.6 Ų151.680%0.79781%0.806SS**  trans68.8105.1137.9-60.9-8.8000120.8
451F33.2Very low32.7Very low221 Ų221152 Ų15297%0.96982%0.817SS**  -145.9147.2111-112.7-80000109.4
452S29.7Very low33Very low119 Ų119148.7 Ų148.783%0.83281%0.814SS**  trans-124.6130.5-169-172.70000112.8
453R31.3Very low33.4Very low228 Ų228141.2 Ų141.286%0.8680%0.798SS**  trans-151.1134.4167.1-178.4168.8-88.9-152.9-4.7111
454H32.2Very low33.7Very low166 Ų166139.3 Ų139.377%0.76979%0.793SS**  trans-25.6138.4-177.8-45.8-76.1000119.7
455Q33.1Very low34Very low196 Ų196142.1 Ų142.192%0.91679%0.788SS**  -156.7154.5114.8-110.6173.96.600111.7
456Y33.2Very low34.7Very low235 Ų235144.6 Ų144.692%0.92279%0.789SS**  trans-82.4149.2178.5-88.8-103.1000111.4
457G29.4Very low35.9Very low78 Ų78141.3 Ų141.380%0.80477%0.768SS**  trans-91.1149.4-168.300000116
458H31.8Very low36.6Very low195 Ų195140.2 Ų140.290%0.90374%0.742SS**  trans-121121.7165.5-114-83.1000108.8
459Q32.1Very low38Very low195 Ų195137.1 Ų137.191%0.91172%0.722SS**  trans-149.4122.6168-71.4-168.92.900111
460S32.7Very low39.6Very low101 Ų101137.2 Ų137.271%0.70671%0.713SS**  trans164.796.1136.1-174.50000110.8
461T35.1Very low40.9Very low157 Ų157135.5 Ų135.596%0.96370%0.695SS**SBendtrans-13753.5173.141.50000110.3
462G41.8Very low41.7Very low59 Ų59128.5 Ų128.561%0.60866%0.663SS**  trans-150.5-3.5-177.800000117.3
463S39.7Very low43.4Very low75 Ų75129.5 Ų129.552%0.52465%0.649SS.*Hα-helixtrans-75.4-38.2-173.7-174.30000114Y465 Q466 Q467S463-Y465 PolarHBondContact O-N 2.87Å; S463-Q466 PolarHBondContact O-N 3.43Å; S463-Q467 PolarHBondContact O-N 2.72Å
464G40.5Very low45.2Very low54 Ų54122.7 Ų122.756%0.55763%0.629SS**Hα-helixtrans-57.1-45.8-168.300000114.5Q466 Q467 Q468G464-Q466 PolarHBondContact O-N 3.2Å; G464-Q467 PolarHBondContact O-N 2.94Å; G464-Q468 WeakPolarHBondContact O-CB 3.32Å; G464-Q468 PolarHBondContact O-N 3.44Å
465Y38.8Very low46.5Very low165 Ų165115.7 Ų115.765%0.64760%0.6SS**Hα-helixtrans-64.9-37.2-173.6-160.6-112.3000113.3S463 Q469S463-Y465 PolarHBondContact O-N 2.87Å; Y465-Q469 WeakPolarHBondContact O-CG 3.33Å; Y465-Q469 PolarHBondContact O-N 2.72Å; Y465-Q469 VanDerWaalsContact O-N 3.1Å
466Q49.9Very low48Very low153 Ų153110.8 Ų110.872%0.71558%0.577SS**Hα-helixtrans-70.2-40.5174.8-70.1-170.2-4.100111.7S463 G464 Q468 Q469 Q470S463-Q466 PolarHBondContact O-N 3.43Å; G464-Q466 PolarHBondContact O-N 3.2Å; Q466-Q468 VanDerWaalsContact C-N 3.34Å; Q466-Q468 PolarHBondContact O-N 2.92Å; Q466-Q469 PolarHBondContact O-N 3.49Å; Q466-Q470 PolarHBondContact O-N 2.67Å; Q466-Q470 VanDerWaalsContact O-N 3.09Å
467Q56.4Low49.8Very low103 Ų103103.3 Ų103.348%0.48155%0.553SS.*Hα-helixtrans-65.6-39.5178.1-160.3-176100.700111.3S463 G464 Q470 R471S463-Q467 PolarHBondContact O-N 2.72Å; G464-Q467 PolarHBondContact O-N 2.94Å; Q467-Q470 PolarHBondContact O-N 3.3Å; Q467-R471 WeakPolarHBondContact O-CG 2.97Å; Q467-R471 PolarHBondContact O-N 3.49Å
468Q48.3Very low51.7Low56 Ų56103.5 Ų103.526%0.26254%0.538SS..Hα-helixtrans-62-48.2175.2-162.7-176.436.600111.7G464 Q466 Q470 R471 Y472 D1074G464-Q468 WeakPolarHBondContact O-CB 3.32Å; G464-Q468 PolarHBondContact O-N 3.44Å; Q466-Q468 VanDerWaalsContact C-N 3.34Å; Q466-Q468 PolarHBondContact O-N 2.92Å; Q468-Q470 PolarHBondContact O-N 2.93Å; Q468-R471 WeakPolarHBondContact O-CB 3.03Å; Q468-R471 PolarHBondContact O-N 3.24Å; Q468-R471 VanDerWaalsContact O-N 3.13Å; Q468-Y472 HydrophobicContact CG-CD2 4.13Å; Q468-Y472 HydrophobicContact CG-CE2 3.76Å; Q468-Y472 VanDerWaalsContact O-CD2 3.26Å; Q468-Y472 WeakPolarHBondContact O-CD2 3.32Å; Q468-Y472 PolarHBondContact O-N 3.47Å; Q468-D1074 HydrophobicContact CG-CB 4.33Å
469Q63.6Low53.1Low87 Ų8796.9 Ų96.941%0.40751%0.506SS..Hα-helixtrans-57.7-36.4174.4-74.8-173.224.100112.9Y465 Q466 Y472 R473Y465-Q469 WeakPolarHBondContact O-CG 3.33Å; Y465-Q469 PolarHBondContact O-N 2.72Å; Y465-Q469 VanDerWaalsContact O-N 3.1Å; Q466-Q469 PolarHBondContact O-N 3.49Å; Q469-Y472 PolarHBondContact O-N 3.03Å; Q469-R473 PolarHBondContact O-N 2.89Å
470Q68.1Low54.9Low89 Ų8993.1 Ų93.142%0.41649%0.488SS..Hα-helixtrans-72-35.1177.8-165.26317.700112.4Q466 Q467 Q468 R473 N474Q466-Q470 PolarHBondContact O-N 2.67Å; Q466-Q470 VanDerWaalsContact O-N 3.09Å; Q467-Q470 PolarHBondContact O-N 3.3Å; Q468-Q470 PolarHBondContact O-N 2.93Å; Q470-R473 PolarHBondContact O-N 3.39Å; Q470-N474 WeakPolarHBondContact O-CB 3.18Å; Q470-N474 PolarHBondContact O-N 2.8Å; Q470-N474 PolarHBondContact O-ND2 2.94Å; Q470-N474 PolarHBondContact O-OD1 3.29Å
471R57.5Low56.8Low114 Ų11495 Ų9543%0.4349%0.486SS..Hα-helixtrans-60.4-47.6169.8-68172.6-170.5-153.97.1110.9Q467 Q468 R473 N474 A475 D1074Q467-R471 WeakPolarHBondContact O-CG 2.97Å; Q467-R471 PolarHBondContact O-N 3.49Å; Q468-R471 WeakPolarHBondContact O-CB 3.03Å; Q468-R471 PolarHBondContact O-N 3.24Å; Q468-R471 VanDerWaalsContact O-N 3.13Å; R471-R473 PolarHBondContact O-N 3.01Å; R471-N474 PolarHBondContact O-N 3.18Å; R471-A475 PolarHBondContact O-N 3.32Å; R471-D1074 WeakPolarHBondContact CD-OD1 3.4Å; R471-D1074 WeakPolarHBondContact CD-OD2 3.5Å; R471-D1074 IonicContact CZ-OD1 2.84Å; R471-D1074 IonicContact NE-OD1 3.85Å; R471-D1074 IonicContact NH1-OD1 2.76Å; R471-D1074 PolarHBondContact NH1-OD1 2.93Å
472Y50Low58.1Low74 Ų7489.1 Ų89.129%0.2945%0.446SS..Hα-helixtrans-56.5-48.2175.7-80.7-65.3000113Q468 Q469 N474 A475 Q476 M1007 V1071Q468-Y472 HydrophobicContact CG-CD2 4.13Å; Q468-Y472 HydrophobicContact CG-CE2 3.76Å; Q468-Y472 VanDerWaalsContact O-CD2 3.26Å; Q468-Y472 WeakPolarHBondContact O-CD2 3.32Å; Q468-Y472 PolarHBondContact O-N 3.47Å; Q469-Y472 PolarHBondContact O-N 3.03Å; Y472-N474 PolarHBondContact O-N 3Å; Y472-A475 PolarHBondContact O-N 3.1Å; Y472-Q476 PolarHBondContact O-N 3.26Å; Y472-M1007 HydrophobicContact CD1-CE 3.75Å; Y472-M1007 HydrophobicContact CE1-CE 3.69Å; Y472-V1071 HydrophobicContact CD1-CG2 4.42Å; Y472-V1071 HydrophobicContact CE1-CG1 3.54Å; Y472-V1071 HydrophobicContact CE1-CG2 4.05Å; Y472-V1071 WeakPolarHBondContact OH-CG1 3.41Å
473R66.1Low59.2Low140 Ų14090.4 Ų90.453%0.52844%0.436SS..Hα-helixtrans-58.7-47.4175.5-79.5-171.8-179133.8-0.2112.4Q469 Q470 R471 A475 Q476 N477Q469-R473 PolarHBondContact O-N 2.89Å; Q470-R473 PolarHBondContact O-N 3.39Å; R471-R473 PolarHBondContact O-N 3.01Å; R473-A475 VanDerWaalsContact C-N 3.28Å; R473-A475 PolarHBondContact O-N 3.37Å; R473-Q476 PolarHBondContact O-N 3.27Å; R473-N477 WeakPolarHBondContact O-CB 3.45Å; R473-N477 PolarHBondContact O-N 2.78Å; R473-N477 PolarHBondContact O-ND2 3.33Å; R473-N477 PolarHBondContact O-OD1 2.71Å
474N70Confident60.6Low85 Ų8592.3 Ų92.346%0.45544%0.437SS..Hα-helixtrans-59.8-41.4-179-70.2-9.6000111.2Q470 R471 Y472 N477 V478Q470-N474 WeakPolarHBondContact O-CB 3.18Å; Q470-N474 PolarHBondContact O-N 2.8Å; Q470-N474 PolarHBondContact O-ND2 2.94Å; Q470-N474 PolarHBondContact O-OD1 3.29Å; R471-N474 PolarHBondContact O-N 3.18Å; Y472-N474 PolarHBondContact O-N 3Å; N474-N477 PolarHBondContact O-N 3.41Å; N474-V478 WeakPolarHBondContact O-CG2 3.46Å; N474-V478 PolarHBondContact O-N 3.39Å
475A57.6Low61.9Low18 Ų1892.7 Ų92.715%0.14942%0.424CS..Hα-helixtrans-68.3-40.4178.300000112.7R471 Y472 R473 V478 Y479 L1067R471-A475 PolarHBondContact O-N 3.32Å; Y472-A475 PolarHBondContact O-N 3.1Å; R473-A475 VanDerWaalsContact C-N 3.28Å; R473-A475 PolarHBondContact O-N 3.37Å; A475-V478 PolarHBondContact O-N 3.31Å; A475-Y479 PolarHBondContact O-N 3.36Å; A475-L1067 HydrophobicContact CB-CD1 3.59Å
476Q65.3Low62.8Low94 Ų9488.8 Ų88.844%0.43941%0.412SS..Hα-helixtrans-62.3-40.9172.1-74.6-174-17.400112.4Y472 R473 V478 Y479 Q480 M1007Y472-Q476 PolarHBondContact O-N 3.26Å; R473-Q476 PolarHBondContact O-N 3.27Å; Q476-V478 VanDerWaalsContact C-N 3.35Å; Q476-V478 PolarHBondContact O-N 3.37Å; Q476-Y479 PolarHBondContact O-N 3.28Å; Q476-Q480 WeakPolarHBondContact O-CG 3.4Å; Q476-Q480 PolarHBondContact O-N 3.34Å; Q476-M1007 HydrophobicContact CG-SD 4.28Å
477N72.2Confident63.3Low78 Ų7886.5 Ų86.542%0.41740%0.401SS..Hα-helixtrans-61.4-41178.7-69.6-18.3000112.1R473 N474 Q480 Q481R473-N477 WeakPolarHBondContact O-CB 3.45Å; R473-N477 PolarHBondContact O-N 2.78Å; R473-N477 PolarHBondContact O-ND2 3.33Å; R473-N477 PolarHBondContact O-OD1 2.71Å; N474-N477 PolarHBondContact O-N 3.41Å; N477-Q480 PolarHBondContact O-N 2.88Å; N477-Q481 WeakPolarHBondContact O-CG 3.43Å; N477-Q481 PolarHBondContact O-N 2.9Å
478V68.9Low63.3Low82 Ų8286.1 Ų86.150%0.49740%0.399SS..Hα-helixtrans-62.5-43.1175.4172.20000111.1N474 A475 Q476 Q481 Y482N474-V478 WeakPolarHBondContact O-CG2 3.46Å; N474-V478 PolarHBondContact O-N 3.39Å; A475-V478 PolarHBondContact O-N 3.31Å; Q476-V478 VanDerWaalsContact C-N 3.35Å; Q476-V478 PolarHBondContact O-N 3.37Å; V478-Q481 PolarHBondContact O-N 2.82Å; V478-Y482 PolarHBondContact O-N 2.89Å; V478-Y482 VanDerWaalsContact O-N 3.14Å
479Y60.6Low63.6Low56 Ų5687.5 Ų87.522%0.2241%0.405CS..Hα-helixtrans-64.7-41.2177-173.2-95.4000112.4A475 Q476 Y482 Q483 I1063 I1064A475-Y479 PolarHBondContact O-N 3.36Å; Q476-Y479 PolarHBondContact O-N 3.28Å; Y479-Y482 PolarHBondContact O-N 2.9Å; Y479-Q483 HydrophobicContact CD1-CG 4.48Å; Y479-Q483 HydrophobicContact CE1-CG 4.09Å; Y479-Q483 PolarHBondContact O-N 3.3Å; Y479-Q483 VanDerWaalsContact O-N 3.14Å; Y479-Q483 PolarHBondContact OH-NE2 3.03Å; Y479-I1063 HydrophobicContact CD2-CG2 4.46Å; Y479-I1064 HydrophobicContact CD2-CD1 4.31Å; Y479-I1064 HydrophobicContact CE2-CD1 3.89Å
480Q70.1Confident62.8Low116 Ų11686.6 Ų86.654%0.54241%0.413SS..Hα-helixtrans-64.9-40.8176.1-71.6179.517.800112.4Q476 N477 Y482 Q483 H484Q476-Q480 WeakPolarHBondContact O-CG 3.4Å; Q476-Q480 PolarHBondContact O-N 3.34Å; N477-Q480 PolarHBondContact O-N 2.88Å; Q480-Y482 VanDerWaalsContact C-N 3.33Å; Q480-Y482 PolarHBondContact O-N 2.84Å; Q480-Q483 PolarHBondContact O-N 3.28Å; Q480-H484 PolarHBondContact O-N 3.48Å
481Q72Confident61.8Low139 Ų13988.6 Ų88.665%0.6542%0.422SS*.Hα-helixtrans-60.7-41.1175.4-76.6179.4-5.500112N477 V478 H484 Q485N477-Q481 WeakPolarHBondContact O-CG 3.43Å; N477-Q481 PolarHBondContact O-N 2.9Å; V478-Q481 PolarHBondContact O-N 2.82Å; Q481-H484 PolarHBondContact O-N 3.16Å; Q481-Q485 WeakPolarHBondContact O-CB 3.44Å; Q481-Q485 PolarHBondContact O-N 3.11Å
482Y62.9Low61.2Low34 Ų3490.6 Ų90.613%0.13344%0.437CS..Hα-helixtrans-61.8-44.5174.8179-119.2000112.2V478 Y479 Q480 Q485 Q486 T1059 I1063V478-Y482 PolarHBondContact O-N 2.89Å; V478-Y482 VanDerWaalsContact O-N 3.14Å; Y479-Y482 PolarHBondContact O-N 2.9Å; Q480-Y482 VanDerWaalsContact C-N 3.33Å; Q480-Y482 PolarHBondContact O-N 2.84Å; Y482-Q485 PolarHBondContact O-N 2.95Å; Y482-Q486 HydrophobicContact CD2-CG 4.47Å; Y482-Q486 HydrophobicContact CE1-CG 4.3Å; Y482-Q486 HydrophobicContact CE2-CG 4.23Å; Y482-Q486 VanDerWaalsContact O-CG 3.26Å; Y482-Q486 WeakPolarHBondContact O-CG 3.43Å; Y482-Q486 PolarHBondContact O-N 2.57Å; Y482-Q486 PolarHBondContact OH-NE2 2.67Å; Y482-T1059 HydrophobicContact CE2-CG2 4Å; Y482-I1063 HydrophobicContact CD1-CD1 3.81Å; Y482-I1063 HydrophobicContact CD2-CD1 3.4Å; Y482-I1063 HydrophobicContact CE1-CD1 4.02Å; Y482-I1063 HydrophobicContact CE2-CD1 3.64Å; Y482-I1063 HydrophobicContact CG-CD1 3.49Å; Y482-I1063 VanDerWaalsContact CG-CD1 3.49Å
483Q65.4Low60.9Low86 Ų8694 Ų9440%0.40246%0.455SS..Hα-helixtrans-65-39.5176.6-68.9-153.3-2200113.1Y479 Q480 Q485 Q486 Q487Y479-Q483 HydrophobicContact CD1-CG 4.48Å; Y479-Q483 HydrophobicContact CE1-CG 4.09Å; Y479-Q483 PolarHBondContact O-N 3.3Å; Y479-Q483 VanDerWaalsContact O-N 3.14Å; Y479-Q483 PolarHBondContact OH-NE2 3.03Å; Q480-Q483 PolarHBondContact O-N 3.28Å; Q483-Q485 VanDerWaalsContact C-N 3.28Å; Q483-Q485 PolarHBondContact O-N 3.45Å; Q483-Q486 PolarHBondContact O-N 3.18Å; Q483-Q487 WeakPolarHBondContact O-CG 3.46Å; Q483-Q487 PolarHBondContact O-N 2.62Å; Q483-Q487 VanDerWaalsContact O-N 3.13Å
484H69Low59.6Low115 Ų11591.9 Ų91.953%0.53246%0.458SS..Hα-helixtrans-61.3-38.6173.7-123.877.4000111.8Q480 Q481 Q487 H488Q480-H484 PolarHBondContact O-N 3.48Å; Q481-H484 PolarHBondContact O-N 3.16Å; H484-Q487 PolarHBondContact O-N 3.36Å; H484-H488 AromaticContact CD2-NE2 3.82Å; H484-H488 PolarHBondContact O-CD2 2.83Å; H484-H488 VanDerWaalsContact O-CD2 3.3Å; H484-H488 PolarHBondContact O-N 3.2Å
485Q67.9Low57.9Low62 Ų6296 Ų9629%0.2947%0.474SS..Hα-helixtrans-71.1-38.5179.1-178.1162.168.700113.5L71 Q481 Y482 Q483 Q487 H488 H489L71-Q485 VanDerWaalsContact CG-NE2 3.29Å; Q481-Q485 WeakPolarHBondContact O-CB 3.44Å; Q481-Q485 PolarHBondContact O-N 3.11Å; Y482-Q485 PolarHBondContact O-N 2.95Å; Q483-Q485 VanDerWaalsContact C-N 3.28Å; Q483-Q485 PolarHBondContact O-N 3.45Å; Q485-Q487 VanDerWaalsContact C-N 3.31Å; Q485-Q487 PolarHBondContact O-N 3.46Å; Q485-H488 PolarHBondContact O-N 3.47Å; Q485-H489 PolarHBondContact O-N 3.13Å; Q485-H489 PolarHBondContact O-ND1 2.87Å
486Q58.2Low56.7Low84 Ų84100.7 Ų100.739%0.39350%0.503SS..Hα-helixtrans-56.3-47.1170.9-68.6-94.25200110.3Y482 Q483 H488 H489 A490Y482-Q486 HydrophobicContact CD2-CG 4.47Å; Y482-Q486 HydrophobicContact CE1-CG 4.3Å; Y482-Q486 HydrophobicContact CE2-CG 4.23Å; Y482-Q486 VanDerWaalsContact O-CG 3.26Å; Y482-Q486 WeakPolarHBondContact O-CG 3.43Å; Y482-Q486 PolarHBondContact O-N 2.57Å; Y482-Q486 PolarHBondContact OH-NE2 2.67Å; Q483-Q486 PolarHBondContact O-N 3.18Å; Q486-H488 PolarHBondContact O-N 3.05Å; Q486-H489 PolarHBondContact O-N 3.14Å; Q486-A490 PolarHBondContact O-N 2.77Å
487Q58.9Low55.3Low104 Ų104104.8 Ų104.849%0.48652%0.521SS..Hα-helixtrans-62.8-42.1177.8-69.1175.58.800112.6Q483 H484 Q485 A490 Q491Q483-Q487 WeakPolarHBondContact O-CG 3.46Å; Q483-Q487 PolarHBondContact O-N 2.62Å; Q483-Q487 VanDerWaalsContact O-N 3.13Å; H484-Q487 PolarHBondContact O-N 3.36Å; Q485-Q487 VanDerWaalsContact C-N 3.31Å; Q485-Q487 PolarHBondContact O-N 3.46Å; Q487-A490 PolarHBondContact O-N 2.89Å; Q487-Q491 WeakPolarHBondContact O-CG 3.43Å; Q487-Q491 PolarHBondContact O-N 2.95Å; Q487-Q491 VanDerWaalsContact O-N 3.09Å
488H57.9Low53.2Low96 Ų96110.7 Ų110.744%0.44454%0.544SS..Hα-helixtrans-64.8-37.4175.8-81.8-57000113.5H484 Q485 Q486 Q491 Q492H484-H488 AromaticContact CD2-NE2 3.82Å; H484-H488 PolarHBondContact O-CD2 2.83Å; H484-H488 VanDerWaalsContact O-CD2 3.3Å; H484-H488 PolarHBondContact O-N 3.2Å; Q485-H488 PolarHBondContact O-N 3.47Å; Q486-H488 PolarHBondContact O-N 3.05Å; H488-Q491 PolarHBondContact O-N 3.25Å; H488-Q492 WeakPolarHBondContact O-CG 3.18Å; H488-Q492 PolarHBondContact O-N 3.32Å
489H53.5Low51.4Low84 Ų84118.8 Ų118.839%0.38957%0.565SS.*Hα-helixtrans-68.5-39.7175.7-76.272.7000111.6Q485 Q486 Q491 Q492 H493Q485-H489 PolarHBondContact O-N 3.13Å; Q485-H489 PolarHBondContact O-ND1 2.87Å; Q486-H489 PolarHBondContact O-N 3.14Å; H489-Q491 VanDerWaalsContact C-N 3.31Å; H489-Q491 PolarHBondContact O-N 3.36Å; H489-Q492 PolarHBondContact O-N 3.11Å; H489-H493 PolarHBondContact O-CD2 3.2Å
490A46.1Very low49.9Very low69 Ų69126.8 Ų126.857%0.5760%0.595SS**Hα-helixtrans-60.9-37.817500000112.7Q486 Q487Q486-A490 PolarHBondContact O-N 2.77Å; Q487-A490 PolarHBondContact O-N 2.89Å
491Q47.4Very low48.1Very low131 Ų131130.8 Ų130.861%0.61261%0.611SS**Hα-helixtrans-77.8-20.1-178.9-70.5176.216.700114.6Q487 H488 H489 T494Q487-Q491 WeakPolarHBondContact O-CG 3.43Å; Q487-Q491 PolarHBondContact O-N 2.95Å; Q487-Q491 VanDerWaalsContact O-N 3.09Å; H488-Q491 PolarHBondContact O-N 3.25Å; H489-Q491 VanDerWaalsContact C-N 3.31Å; H489-Q491 PolarHBondContact O-N 3.36Å; Q491-T494 PolarHBondContact O-OG1 3.03Å
492Q45.6Very low46.4Very low156 Ų156132 Ų13273%0.72962%0.616SS**Hα-helixtrans-84.7-10.3-178.7-73.6-176.616.900114.3H488 H489H488-Q492 WeakPolarHBondContact O-CG 3.18Å; H488-Q492 PolarHBondContact O-N 3.32Å; H489-Q492 PolarHBondContact O-N 3.11Å
493H44.5Very low45.1Very low145 Ų145135.1 Ų135.167%0.67164%0.643SS**THydrogen-bonded Turntrans-94.58.5-177.7-81-62.4000115.4H489H489-H493 PolarHBondContact O-CD2 3.2Å
494T38.4Very low43.6Very low96 Ų96137.1 Ų137.159%0.58966%0.656SS**SBendtrans-112.919.9-169.750.80000116.4Q491Q491-T494 PolarHBondContact O-OG1 3.03Å
495H33.7Very low42Very low172 Ų172139.4 Ų139.480%0.79667%0.672SS**  trans-136.4114.4174.2-79.8-55.2000115
496P33.1Very low40.3Very low116 Ų116140 Ų14075%0.75370%0.696SS**  trans-113.894.7171.836.2-24.7000112.6
497H35.5Very low39Very low179 Ų179141.8 Ų141.883%0.82972%0.717SS**  trans-135.2112.3175-84.7-60.3000115.2
498F27.6Very low37.7Very low203 Ų203139.7 Ų139.789%0.8972%0.724SS**  trans-71.9137.6157.1-94.2-101.9000110.8
499R32Very low36.5Very low251 Ų251142.5 Ų142.595%0.94774%0.74SS**  trans-152.3137.7149.5-126.8172.9-171.1169.44.1112
500R28.4Very low35.4Very low225 Ų225145.7 Ų145.785%0.84976%0.76SS**  trans-97.9150.3175.6-64.5178.2179.1169.9-2.1111.1
501K33Very low34.8Very low200 Ų200151.6 Ų151.687%0.8777%0.773SS**  trans175.2154.4142.1-99177.8176.1-168.40108.1
502H34.8Very low34Very low164 Ų164154.4 Ų154.476%0.75978%0.783SS**  cis-169.8177.3-35.8-125.5-87.3000105.9
503S35.5Very low33.4Very low99 Ų99154.7 Ų154.769%0.69279%0.787SS**  trans79.3134.8176.2-1660000115.6
504D35.2Very low32.8Very low128 Ų128155.8 Ų155.868%0.68479%0.792SS**  cis-158172.4-20.2-104.5-42.3000112.6
505N34.6Very low32.5Very low163 Ų163161.5 Ų161.587%0.87280%0.804SS**  trans68.8132.8165.2-68-26.1000119.6
506G31.7Very low32.3Very low76 Ų76158.2 Ų158.278%0.78480%0.8SS**  trans12997.5158.800000116
507S32.3Very low32.8Very low120 Ų120158.6 Ų158.684%0.83980%0.803SS**  trans-54.5145.5159.11710000110.5
508G31Very low32.9Very low61 Ų61156.3 Ų156.363%0.62980%0.804SS**  cis138.3173.711.800000110.2
509I33.8Very low33Very low154 Ų154150 Ų15079%0.7980%0.796SS**  trans73.6128.7172.9-56.7174.3000117.2
510N29Very low33.1Very low152 Ų152147.4 Ų147.481%0.81379%0.792SS**  trans-80130.1167.2-70.1-76.1000112.1
511K34.4Very low33.3Very low192 Ų192142.3 Ų142.384%0.83579%0.79SS**  trans-174.6132.7147.5-91.5137.3-172.6-176.80106.5
512K29.7Very low33.2Very low191 Ų191136.3 Ų136.383%0.8379%0.785SS**  cis70.575.344.8-136.8-158.6-165.5-165.30114.3
513M32.9Very low33.3Very low162 Ų162136.2 Ų136.280%0.79879%0.79SS**  trans-153.2128.8143.3-72.3-153.1-7800105.9
514H31.5Very low33.7Very low168 Ų168137.4 Ų137.478%0.77880%0.795SS**  54.1116.766.9-77.7-84.5000114.1
515Y32.5Very low33.8Very low215 Ų215135.8 Ų135.884%0.84380%0.8SS**  -168.3166.7118.8-105-71.2000110.9
516S30.7Very low33.9Very low103 Ų103133.6 Ų133.672%0.7279%0.788SS**  trans-93.8160.9-171.2-58.70000113
517P43.5Very low34.1Very low124 Ų124140.1 Ų140.181%0.80579%0.789SS**  trans-74.9157.6175.335.6-38.7000111.6
518P36.1Very low34.3Very low131 Ų131139.7 Ų139.785%0.85179%0.786SS**  -136.7171.38238.1-24.2000114
519G30.6Very low34.6Very low70 Ų70140.9 Ų140.972%0.72279%0.79SS**  trans-106172.9176.800000114.1
520K33.7Very low34.7Very low198 Ų198139.6 Ų139.686%0.86179%0.794SS**  trans-166.7140.4161.5-113.2171.3-175-178.70112
521S32.2Very low34.8Very low117 Ų117135.4 Ų135.482%0.81879%0.788SS**  trans32.5131.8148.559.80000122.4
522G32.6Very low34.8Very low74 Ų74134.7 Ų134.776%0.76379%0.787SS**  126.6112127.200000117.4
523D36.3Very low34.9Very low163 Ų163131.8 Ų131.887%0.87278%0.776SS**  trans-69.7164.5155.7-60.1-69.7000111
524P43.7Very low34.9Very low123 Ų123131.4 Ų131.480%0.79977%0.773SS**  -133.4159123.737.4-29.5000114.6
525A36.6Very low35.1Very low94 Ų94130.1 Ų130.178%0.77777%0.767SS**  trans-74.4-172.9170.700000111.1
526D38.2Very low35.1Very low117 Ų117126.4 Ų126.463%0.62676%0.757SS**  cis-172.1168.839.3-177.424.1000111.1
527R35.9Very low35.3Very low214 Ų214128.6 Ų128.681%0.80876%0.756SS**  trans72.7148.5165.3-44.2-170.1-175.5175.80.9116.4
528S36.3Very low34.8Very low111 Ų111128 Ų12878%0.77675%0.752SS**  cis-175.9154.7-1345.30000108.1
529A36.9Very low34.7Very low85 Ų85130.1 Ų130.170%0.70275%0.75SS**  cis-169.7179.4-15.600000107.8
530S35Very low34.7Very low127 Ų127134.6 Ų134.689%0.88875%0.752SS**  trans45128.816359.40000120.3
531G32.5Very low34.5Very low65 Ų65133.9 Ų133.967%0.6775%0.752SS**  cis146.51682.100000111.4
532Q33.4Very low34.3Very low177 Ų177136.1 Ų136.183%0.82775%0.749SS**  trans68.9148174.9-55.6-169.1400115.4
533Q32Very low34.1Very low129 Ų129142.2 Ų142.260%0.60376%0.755SS**  cis-163.1165.5-9.6-122.8-179.236.600111.5
534Q33.6Very low33.6Very low155 Ų155140 Ų14072%0.72475%0.747SS**  trans66.4149.7153.7-68.1-178.747.900119.3
535H34Very low32.9Very low140 Ų140141.3 Ų141.365%0.64875%0.746SS**  cis-167.9154.2-29.2-124-30.7000111.1
536H33.6Very low32.4Very low138 Ų138144.1 Ų144.164%0.63974%0.743SS**  trans59.7157.9157.8-56.7-56.6000119.1
537H35.5Very low32Very low149 Ų149146.3 Ų146.369%0.6975%0.753SS**  cis-153.6137.9-26.1-117.8-49.2000108.6
538P32.4Very low31.5Very low112 Ų112143 Ų14373%0.72775%0.751SS**  trans-99.6138.3169.335-29.6000112.1
539H34.2Very low31Very low175 Ų175142.6 Ų142.681%0.8175%0.754SS**  trans-142155.4164.1-109.6-70.5000112.3
540Q29.4Very low30.7Very low164 Ų164144.4 Ų144.477%0.76676%0.761SS**  trans-82.2156.7-172.4-52.4137.3-44.400112.2
541Q31.3Very low30.3Very low182 Ų182142.9 Ų142.985%0.8575%0.751SS**  -168.3166.2107.8-102.7174.827.400112.3
542Q27.2Very low30.3Very low165 Ų165148.9 Ų148.977%0.77176%0.761SS**  trans-76.4149.6-176.5-50.2105.4-4200112.4
543K27.4Very low30.1Very low201 Ų201148.1 Ų148.187%0.87476%0.755SS**  trans-162.9154.5136-107.5147.1-168.8174.20114.4
544T26.4Very low30.1Very low117 Ų117148.9 Ų148.972%0.71876%0.763SS**  trans-35.7138.4173.2-44.40000115.2E546T544-E546 HydrophobicContact CG2-CG 4.15Å; T544-E546 PolarHBondContact O-N 3.1Å
545I28.8Very low29.9Very low151 Ų151145 Ų14577%0.77476%0.758SS**  trans-88.892.8162.4-59.2176.4000108.2I547I545-I547 HydrophobicContact CG2-CD1 4.36Å; I545-I547 HydrophobicContact CG2-CG1 3.92Å
546E25.8Very low29.9Very low152 Ų152146.6 Ų146.671%0.7177%0.768SS**  trans-82.1144.4153.6-66.3-175.8150.400108.6T544T544-E546 HydrophobicContact CG2-CG 4.15Å; T544-E546 PolarHBondContact O-N 3.1Å
547I30.6Very low29.8Very low164 Ų164148.2 Ų148.284%0.84178%0.775SS**  trans-116.173.6168.6-53.8-176.6000107.9I545I545-I547 HydrophobicContact CG2-CD1 4.36Å; I545-I547 HydrophobicContact CG2-CG1 3.92Å
548L25.9Very low29.5Very low144 Ų144152.2 Ų152.275%0.75478%0.784SS**  trans-84.4140.9163.4-96.6166.7000109.5
549A25.8Very low29.2Very low103 Ų103158 Ų15885%0.85179%0.792SS**  trans-82.9132.4178.800000111.2
550S29.4Very low29Very low122 Ų122156.6 Ų156.685%0.85379%0.787SS**  trans-144.8154.8166.664.20000111.2
551S27.7Very low28.8Very low95 Ų95157.3 Ų157.366%0.66479%0.791SS**  trans-116.4138.5-167.556.70000112.3
552H32.1Very low28.7Very low192 Ų192152.7 Ų152.789%0.88979%0.792SS**  trans-145.6156157-93.7-101.2000109.4
553F29Very low28.7Very low161 Ų161148.9 Ų148.971%0.70680%0.796SS**  cis175.7156.2-41.7-140.9-95.8000104.8
554N31.3Very low28.7Very low144 Ų144146.7 Ų146.777%0.7780%0.795SS**  trans68.1148.8171.1-68.7-34.4000118.1
555A30.2Very low28.9Very low74 Ų74147.8 Ų147.861%0.61280%0.796SS**  cis-165.1177.3-15.600000111.4
556M32.8Very low29Very low174 Ų174148.9 Ų148.986%0.85780%0.795SS**  trans75.6142.2163.9-56.4-139.3-174.100117.9
557H32.9Very low29.3Very low171 Ų171148.4 Ų148.479%0.79280%0.797SS**  cis-154.1166.4-23.5-141-98.9000111
558R27.9Very low29.3Very low233 Ų233143.7 Ų143.788%0.87979%0.789SS**  trans-93.3148.5178.5-69.4179.5-82.7-171.2-7.9113
559R28Very low29.5Very low234 Ų234146.5 Ų146.588%0.88379%0.791SS**  -174.6118.1125.3-178.3163.8-81.2-149.3-2.8116
560M28Very low29.7Very low146 Ų146151.6 Ų151.672%0.71979%0.79SS**  trans30.3130.6141.9-60.2-55.7-155.900125.3
561Q26.6Very low29.4Very low179 Ų179153.4 Ų153.484%0.83679%0.785SS**  66.2133.8126.1-65.6173.7-13.500123
562G28.1Very low29.6Very low85 Ų85157.4 Ų157.488%0.87679%0.793SS**  trans132.2120.5145.400000115.9
563G28.7Very low29.2Very low84 Ų84152.2 Ų152.287%0.86678%0.778SS**  trans140.1105.9167.700000115.2
564N26.8Very low29.2Very low156 Ų156155.4 Ų155.483%0.83479%0.787SS**  trans-102.1157175.1-114.8-12.4000111.1
565N31.3Very low29.1Very low139 Ų139155.5 Ų155.574%0.74379%0.787SS**  trans118.8145.7159.2-66.4-28.6000116
566K30.5Very low29.2Very low175 Ų175157.5 Ų157.576%0.76179%0.794SS**  cis-172.2164.9-33.2-127.2178.9-175.5179.20109.7
567N31.6Very low29.1Very low142 Ų142157.3 Ų157.376%0.75979%0.793SS**  trans72.2144173.8-46.9-16.1000114.3
568G30.6Very low29Very low65 Ų65155.7 Ų155.767%0.6780%0.795SS**  cis128.8138.55.400000109.7
569Y29.3Very low29.2Very low203 Ų203148.4 Ų148.480%0.79679%0.793SS**  cis-126.7-162.513-81.4-97.1000109.7
570Y30.4Very low29.3Very low209 Ų209146.4 Ų146.482%0.8279%0.794SS**  cis-153165.121.1-111.7-78.2000111.7
571Q24.5Very low29.4Very low160 Ų160146.1 Ų146.175%0.74880%0.8SS**  trans-158150.9176-178179.71.300110.3
572H30.6Very low29.7Very low180 Ų180141.2 Ų141.283%0.83380%0.798SS**  trans-140.8154.7160.6-93.6-78.4000110.5
573S24.7Very low30Very low82 Ų82143 Ų14357%0.57380%0.796SS**  trans-139.6164.5-167.5-46.50000110.8
574Y29.5Very low30.5Very low229 Ų229145.2 Ų145.290%0.89879%0.794SS**  trans-169.1171.3133.8-105.8-65.8000112.5
575N28.6Very low31.1Very low146 Ų146140.8 Ų140.878%0.78177%0.773SS**  trans-87.6156.4-157.4-71.6-9000116.5
576P31.1Very low31.6Very low116 Ų116137.3 Ų137.375%0.75376%0.757SS**  trans-97.3170.9162.139.4-33.9000113.2
577M31.5Very low32.1Very low170 Ų170138.4 Ų138.484%0.83776%0.757SS**  trans-141.5121.3165.1-94.1-67.6167.300112.2
578T30.6Very low32.5Very low136 Ų136135.2 Ų135.283%0.83475%0.745SS**  trans30.1118.4151.856.90000121.2
579G32.1Very low33Very low81 Ų81136.7 Ų136.784%0.83574%0.735SS**  trans-172.3130.4159.900000112.2
580E29.8Very low33.8Very low192 Ų192131 Ų13190%0.89772%0.715SS**  trans-81.5165179.1-68-174.8127.400112.2
581V30.3Very low34.2Very low139 Ų139125.9 Ų125.984%0.84270%0.699SS**  cis-159.6151.6-14.5129.40000106.9
582G32.3Very low34.9Very low77 Ų77122.9 Ų122.979%0.79469%0.688SS**  trans171.7122.6168.200000114.2
583S35.8Very low35.4Very low121 Ų121118.5 Ų118.585%0.84667%0.669SS**PPolyproline II helixtrans-103.7127.7-174.653.20000113.5
584T38.7Very low36.2Very low132 Ų132118.3 Ų118.381%0.8166%0.657SS**PPolyproline II helixtrans-76.9142.216947.70000111.7
585P38.3Very low36.7Very low62 Ų62110.7 Ų110.740%0.40363%0.632SS.*PPolyproline II helixtrans-67.7149.2-176.2-17.930.9000114.3E589P585-E589 HydrophobicContact CB-CB 3.98Å
586T43.1Very low37.1Very low67 Ų67109.2 Ų109.241%0.41162%0.623SS.*PPolyproline II helixtrans-72.3163.4171.163.20000112.4S588 E589 H590T586-S588 PolarHBondContact O-N 3.06Å; T586-S588 PolarHBondContact OG1-OG 3.4Å; T586-E589 WeakPolarHBondContact CB-OE2 3.42Å; T586-E589 VanDerWaalsContact CG2-OE2 3.27Å; T586-E589 WeakPolarHBondContact CG2-OE2 3.29Å; T586-E589 PolarHBondContact N-OE2 2.77Å; T586-E589 PolarHBondContact O-N 2.9Å; T586-E589 VanDerWaalsContact OG1-CD 3.31Å; T586-E589 WeakPolarHBondContact OG1-CG 3.46Å; T586-E589 PolarHBondContact OG1-N 3.47Å; T586-E589 PolarHBondContact OG1-OE2 3.09Å; T586-H590 PolarHBondContact O-N 3.29Å
587R40.3Very low37.5Very low198 Ų198107.6 Ų107.675%0.74761%0.611SS**Hα-helixtrans-54.5-34.8172.9-174.7176179.5174.40.3112.7Q591R587-Q591 WeakPolarHBondContact O-CB 3.31Å; R587-Q591 PolarHBondContact O-N 3.3Å; R587-Q591 VanDerWaalsContact O-N 3.08Å
588S39.6Very low37.6Very low74 Ų74103.9 Ų103.952%0.51759%0.588SS.*Hα-helixtrans-68.5-43.217422.40000112.9T586 Q591 N592T586-S588 PolarHBondContact O-N 3.06Å; T586-S588 PolarHBondContact OG1-OG 3.4Å; S588-Q591 PolarHBondContact O-N 2.91Å; S588-N592 PolarHBondContact O-N 3.37Å
589E42.2Very low38Very low96 Ų96102.9 Ų102.945%0.44958%0.577SS.*Hα-helixtrans-70.5-41178.3-71.7156.6133.500111.4P585 T586 Q591 N592 I593P585-E589 HydrophobicContact CB-CB 3.98Å; T586-E589 WeakPolarHBondContact CB-OE2 3.42Å; T586-E589 VanDerWaalsContact CG2-OE2 3.27Å; T586-E589 WeakPolarHBondContact CG2-OE2 3.29Å; T586-E589 PolarHBondContact N-OE2 2.77Å; T586-E589 PolarHBondContact O-N 2.9Å; T586-E589 VanDerWaalsContact OG1-CD 3.31Å; T586-E589 WeakPolarHBondContact OG1-CG 3.46Å; T586-E589 PolarHBondContact OG1-N 3.47Å; T586-E589 PolarHBondContact OG1-OE2 3.09Å; E589-Q591 VanDerWaalsContact C-N 3.33Å; E589-Q591 PolarHBondContact O-N 2.87Å; E589-N592 PolarHBondContact O-N 3.26Å; E589-I593 WeakPolarHBondContact O-CB 3.38Å; E589-I593 WeakPolarHBondContact O-CD1 3.34Å; E589-I593 WeakPolarHBondContact O-CG1 3.19Å; E589-I593 PolarHBondContact O-N 3.42Å
590H45Very low38.2Very low84 Ų84106.5 Ų106.539%0.38957%0.572SS.*Hα-helixtrans-54.8-48.4167.7-80.6172.3000111.5T586 N592 I593 Y594T586-H590 PolarHBondContact O-N 3.29Å; H590-N592 VanDerWaalsContact C-N 3.3Å; H590-N592 PolarHBondContact O-N 3.34Å; H590-I593 PolarHBondContact O-N 3.48Å; H590-Y594 HydrophobicContact CB-CD2 4.32Å; H590-Y594 HydrophobicContact CB-CE2 4.22Å; H590-Y594 WeakPolarHBondContact O-CB 3.23Å; H590-Y594 WeakPolarHBondContact O-CD2 3.22Å; H590-Y594 PolarHBondContact O-N 2.99Å
591Q39.7Very low38.7Very low102 Ų102102 Ų10248%0.47756%0.557SS.*Hα-helixtrans-59.2-41.5178.3-168.764.46100112R587 S588 E589 N595R587-Q591 WeakPolarHBondContact O-CB 3.31Å; R587-Q591 PolarHBondContact O-N 3.3Å; R587-Q591 VanDerWaalsContact O-N 3.08Å; S588-Q591 PolarHBondContact O-N 2.91Å; E589-Q591 VanDerWaalsContact C-N 3.33Å; E589-Q591 PolarHBondContact O-N 2.87Å; Q591-N595 PolarHBondContact NE2-OD1 2.64Å; Q591-N595 VanDerWaalsContact NE2-OD1 3.13Å; Q591-N595 WeakPolarHBondContact O-CB 3.17Å; Q591-N595 PolarHBondContact O-N 2.75Å; Q591-N595 PolarHBondContact O-ND2 2.75Å; Q591-N595 PolarHBondContact O-OD1 3.31Å; Q591-N595 VanDerWaalsContact O-OD1 3.14Å
592N39.7Very low38.9Very low96 Ų9698.8 Ų98.851%0.51354%0.535SS..Hα-helixtrans-69.6-40.8178.2-71.9-13.7000112.9S588 E589 H590 N595 L596S588-N592 PolarHBondContact O-N 3.37Å; E589-N592 PolarHBondContact O-N 3.26Å; H590-N592 VanDerWaalsContact C-N 3.3Å; H590-N592 PolarHBondContact O-N 3.34Å; N592-N595 PolarHBondContact O-N 3.4Å; N592-L596 WeakPolarHBondContact O-CG 3.27Å; N592-L596 PolarHBondContact O-N 3.2Å
593I41.5Very low38.9Very low88 Ų88100.4 Ų100.445%0.45153%0.53SS..Hα-helixtrans-62.9-42.9175.3-68.4162.7000110.7E589 H590 L596 T597E589-I593 WeakPolarHBondContact O-CB 3.38Å; E589-I593 WeakPolarHBondContact O-CD1 3.34Å; E589-I593 WeakPolarHBondContact O-CG1 3.19Å; E589-I593 PolarHBondContact O-N 3.42Å; H590-I593 PolarHBondContact O-N 3.48Å; I593-L596 PolarHBondContact O-N 3.13Å; I593-T597 PolarHBondContact O-N 3.3Å; I593-T597 VanDerWaalsContact O-N 3.13Å; I593-T597 PolarHBondContact O-OG1 3.5Å
594Y39.9Very low38.9Very low78 Ų78103.2 Ų103.231%0.30653%0.53SS..Hα-helixtrans-69.4-31.2175.5-74-56.7000113.4H590 T597H590-Y594 HydrophobicContact CB-CD2 4.32Å; H590-Y594 HydrophobicContact CB-CE2 4.22Å; H590-Y594 WeakPolarHBondContact O-CB 3.23Å; H590-Y594 WeakPolarHBondContact O-CD2 3.22Å; H590-Y594 PolarHBondContact O-N 2.99Å; Y594-T597 WeakPolarHBondContact CA-OG1 3.18Å; Y594-T597 PolarHBondContact O-OG1 3.48Å
595N40.9Very low38.4Very low70 Ų70101.9 Ų101.937%0.37453%0.532SS..Hα-helixtrans-66.8-47.3172.4-68.3-11.1000110.4Q591 N592 T597 Y598 I599Q591-N595 PolarHBondContact NE2-OD1 2.64Å; Q591-N595 VanDerWaalsContact NE2-OD1 3.13Å; Q591-N595 WeakPolarHBondContact O-CB 3.17Å; Q591-N595 PolarHBondContact O-N 2.75Å; Q591-N595 PolarHBondContact O-ND2 2.75Å; Q591-N595 PolarHBondContact O-OD1 3.31Å; Q591-N595 VanDerWaalsContact O-OD1 3.14Å; N592-N595 PolarHBondContact O-N 3.4Å; N595-T597 VanDerWaalsContact C-N 3.34Å; N595-T597 PolarHBondContact O-N 3.43Å; N595-Y598 PolarHBondContact O-N 3.08Å; N595-I599 HydrophobicContact CB-CD1 4.31Å; N595-I599 WeakPolarHBondContact O-CB 3.27Å; N595-I599 WeakPolarHBondContact O-CD1 3.25Å; N595-I599 VanDerWaalsContact O-CG1 3.24Å; N595-I599 WeakPolarHBondContact O-CG1 3.18Å; N595-I599 PolarHBondContact O-N 3.29Å
596L36.3Very low38.1Very low115 Ų115105.7 Ų105.760%0.60255%0.554SS**Hα-helixtrans-59.1-40.2179-77.4163.5000112.9N592 I593 Y598N592-L596 WeakPolarHBondContact O-CG 3.27Å; N592-L596 PolarHBondContact O-N 3.2Å; I593-L596 PolarHBondContact O-N 3.13Å; L596-Y598 VanDerWaalsContact C-N 3.34Å; L596-Y598 PolarHBondContact O-N 2.92Å
597T39Very low37.4Very low82 Ų82106.2 Ų106.250%0.50357%0.573SS.*Hα-helixtrans-70-24.7-179.3230000114.3I593 Y594 N595 V601I593-T597 PolarHBondContact O-N 3.3Å; I593-T597 VanDerWaalsContact O-N 3.13Å; I593-T597 PolarHBondContact O-OG1 3.5Å; Y594-T597 WeakPolarHBondContact CA-OG1 3.18Å; Y594-T597 PolarHBondContact O-OG1 3.48Å; N595-T597 VanDerWaalsContact C-N 3.34Å; N595-T597 PolarHBondContact O-N 3.43Å; T597-V601 WeakPolarHBondContact O-CG2 3.22Å
598Y35.6Very low37.1Very low91 Ų91106.2 Ų106.236%0.35758%0.582SS.*Hα-helixtrans-100.6-25.1179.4-96-81.5000114.5N595 L596 H600 V601N595-Y598 PolarHBondContact O-N 3.08Å; L596-Y598 VanDerWaalsContact C-N 3.34Å; L596-Y598 PolarHBondContact O-N 2.92Å; Y598-H600 PolarHBondContact O-N 3.4Å; Y598-V601 PolarHBondContact O-N 3.03Å; Y598-V601 VanDerWaalsContact O-N 3.16Å
599I37.7Very low36.6Very low115 Ų115107.9 Ų107.959%0.5960%0.6SS**Hα-helixtrans-62.2-28.3174.5-72.6165.4000111.5N595 T603N595-I599 HydrophobicContact CB-CD1 4.31Å; N595-I599 WeakPolarHBondContact O-CB 3.27Å; N595-I599 WeakPolarHBondContact O-CD1 3.25Å; N595-I599 VanDerWaalsContact O-CG1 3.24Å; N595-I599 WeakPolarHBondContact O-CG1 3.18Å; N595-I599 PolarHBondContact O-N 3.29Å; I599-T603 PolarHBondContact O-OG1 3.44Å
600H36.7Very low36.2Very low158 Ų158108.2 Ų108.273%0.73162%0.619SS**THydrogen-bonded Turntrans-81.9-4.2176.7-94.5-84.7000115.7Y598Y598-H600 PolarHBondContact O-N 3.4Å
601V39.7Very low35.7Very low96 Ų96110.3 Ų110.358%0.58264%0.643SS**THydrogen-bonded Turntrans-106.5-20.9-170.3179.50000113.7T597 Y598T597-V601 WeakPolarHBondContact O-CG2 3.22Å; Y598-V601 PolarHBondContact O-N 3.03Å; Y598-V601 VanDerWaalsContact O-N 3.16Å
602D35.3Very low35.2Very low73 Ų73110.6 Ų110.639%0.3966%0.663SS.*SBendtrans-95.97.4177.4-81.1-23.5000113.3E604 K990 R994D602-E604 PolarHBondContact O-N 2.77Å; D602-E604 VanDerWaalsContact O-N 3.13Å; D602-K990 IonicContact OD1-NZ 3.26Å; D602-K990 PolarHBondContact OD1-NZ 3.3Å; D602-R994 IonicContact OD2-CZ 3.64Å; D602-R994 IonicContact OD2-NH1 2.73Å; D602-R994 IonicContact OD2-NH2 3.33Å; D602-R994 PolarHBondContact OD2-NH2 2.96Å
603T32.4Very low35Very low110 Ų110111 Ų11168%0.67568%0.68SS**  trans-87.566.2-176.1-44.90000112.8I599I599-T603 PolarHBondContact O-OG1 3.44Å
604E35.1Very low34.5Very low181 Ų181109.9 Ų109.985%0.84669%0.69SS**  trans-74.6137.8167.9-71.6-164.117800111.5D602 T606D602-E604 PolarHBondContact O-N 2.77Å; D602-E604 VanDerWaalsContact O-N 3.13Å; E604-T606 PolarHBondContact O-N 2.77Å; E604-T606 VanDerWaalsContact O-N 3.11Å
605A28.7Very low34.1Very low104 Ų104111.4 Ų111.486%0.8671%0.712SS**  trans-83.889.2-163.700000114.1G607A605-G607 PolarHBondContact O-N 3Å; A605-G607 VanDerWaalsContact O-N 3.09Å
606T32.2Very low33.8Very low141 Ų141114.6 Ų114.687%0.86573%0.734SS**  trans-7686.2163.654.40000110.6E604 E608E604-T606 PolarHBondContact O-N 2.77Å; E604-T606 VanDerWaalsContact O-N 3.11Å; T606-E608 PolarHBondContact O-N 2.77Å
607G28.8Very low33.6Very low79 Ų79114.9 Ų114.981%0.81474%0.743SS**  trans-82.389.4-176.900000114.5A605A605-G607 PolarHBondContact O-N 3Å; A605-G607 VanDerWaalsContact O-N 3.09Å
608E32.7Very low33.2Very low198 Ų198117.5 Ų117.593%0.92576%0.759SS**  trans-107.2127.4157.5-69.1-164.3142.100109.8T606T606-E608 PolarHBondContact O-N 2.77Å
609A29.9Very low32.9Very low108 Ų108118.7 Ų118.789%0.89378%0.775SS**  trans-111.7113.2-173.700000111.4
610A33.1Very low32.5Very low104 Ų104122.5 Ų122.586%0.8679%0.787SS**  trans-133.4117.6169.600000109.6
611S34.9Very low32.5Very low127 Ų127120.9 Ų120.989%0.88879%0.791SS**  trans-82.9132.4-177.252.80000112.1
612A29.1Very low32Very low108 Ų108121.3 Ų121.389%0.89380%0.798SS**  trans-91.8127.5-175.100000114.3
613A35Very low31.7Very low105 Ų105125.4 Ų125.487%0.86882%0.819SS**  trans-166138.1154.500000108.2
614G31.1Very low31.5Very low65 Ų65127.6 Ų127.667%0.6783%0.826SS**  cis178.6170.4-7.800000111.4
615S33Very low31.2Very low110 Ų110123.8 Ų123.877%0.76982%0.819SS**  trans60.2113.2165.751.20000121.4
616T34.3Very low31.6Very low137 Ų137128.4 Ų128.484%0.8482%0.82SS**  trans76.3130137.455.10000122
617P32.3Very low31.7Very low121 Ų121127.9 Ų127.979%0.78682%0.819SS**  trans-104.4169.2176.741-35.7000114
618V29.3Very low31.7Very low137 Ų137131 Ų13183%0.8382%0.817SS**  trans-174.1120.6143.9134.20000114.4
619V28.9Very low31.9Very low115 Ų115129.1 Ų129.170%0.69781%0.811SS**  trans70.3107.2140.1-179.10000123.5
620K30.2Very low31.8Very low196 Ų196128.6 Ų128.685%0.85280%0.801SS**  trans77.7141.6137.6-74.7176.6-176.7174.90123.4
621P36Very low31.8Very low123 Ų123131.4 Ų131.480%0.79980%0.8SS**  trans-114.1167.2178.442.6-34.5000115.3
622S30Very low31.6Very low106 Ų106131.4 Ų131.474%0.74180%0.795SS**  trans-165.4120.8155.5570000116.3
623L28.7Very low32.1Very low158 Ų158132.2 Ų132.283%0.82779%0.791SS**  trans74.2147.8135.7-65.9172.7000123.8
624L28.5Very low32Very low156 Ų156131.7 Ų131.782%0.81779%0.787SS**  trans62.6150.1169.2-83.472.9000117.4
625S29.8Very low32Very low101 Ų101133.4 Ų133.471%0.70679%0.788SS**  cis-163.6148.6-19.743.60000110.3
626K35.2Very low31.9Very low201 Ų201133.4 Ų133.487%0.87479%0.789SS**  trans-71.2159.9171.4-66.9-176.9178.2-179.90111.7
627P34.8Very low31.8Very low131 Ų131133.1 Ų133.185%0.85179%0.787SS**  -127.1-178111.537.4-32.4000113.6
628N29.7Very low31.7Very low143 Ų143133.3 Ų133.377%0.76579%0.786SS**  trans-130.9143.9-172.5-177.331.7000109
629I35.6Very low32Very low159 Ų159132.3 Ų132.382%0.81578%0.782SS**  trans-130.7134.4171.3-64.9-177.1000109.3
630S27.8Very low32Very low97 Ų97132.7 Ų132.768%0.67879%0.785SS**  trans-147.8140.2177.5178.60000108.3
631I34.3Very low32Very low163 Ų163129.5 Ų129.584%0.83678%0.782SS**  trans-145.9156.2172-97.4149.7000108.4
632T29.6Very low31.6Very low128 Ų128129.3 Ų129.379%0.78578%0.778SS**  trans-123.7172.2-148.624.30000114.4
633P40.6Very low31.5Very low124 Ų124130.6 Ų130.681%0.80578%0.777SS**  trans-108.4168-157.941.2-37.2000116.5
634A32.5Very low31.4Very low94 Ų94133.4 Ų133.478%0.77778%0.777SS**  trans-162.3165.5164.100000109.9
635S30.4Very low31.3Very low101 Ų101129.9 Ų129.971%0.70677%0.77SS**  cis-173.5146.8-39.856.30000109.7
636S31Very low31.2Very low111 Ų111132 Ų13278%0.77677%0.773SS**  trans61.6166.5167.7830000116.9
637T32.4Very low31Very low130 Ų130129.9 Ų129.980%0.79877%0.77SS**  cis-148.6146.73.2-21.90000110.7
638T30.5Very low31.1Very low126 Ų126129.5 Ų129.577%0.77377%0.767SS**  trans-91.4158.8158.846.40000108.8
639P35.7Very low31.1Very low116 Ų116126.5 Ų126.575%0.75376%0.763SS**  -155-17569.844.2-22.5000117.7
640T28.1Very low30.8Very low122 Ų122124.9 Ų124.975%0.74876%0.76SS**  trans-6.9147.6155.354.20000118.8
641T30.6Very low31.1Very low130 Ų130131.1 Ų131.180%0.79877%0.769SS**  -160.7167.874.6-59.90000113.2
642V27.4Very low30.8Very low118 Ų118128.1 Ų128.172%0.71576%0.762SS**  trans-90.8176.9-177.1-78.40000114.3
643D29Very low31Very low134 Ų134128.8 Ų128.872%0.71777%0.766SS**  trans73.2157.6167.8-72.4-56.4000118.7
644R26.8Very low30.7Very low217 Ų217128.1 Ų128.182%0.81976%0.764SS**  cis-179.1151.9-35.9173168.6-178.9172.30.1108.8
645A26.2Very low30.7Very low82 Ų82128.1 Ų128.168%0.67876%0.764SS**  trans67.1162.5165.600000117.2
646L26.2Very low31.3Very low146 Ų146129.2 Ų129.276%0.76477%0.769SS**  cis-165.2121.5-24.1-104.7169.3000109.6
647L31.9Very low31.5Very low155 Ų155128.3 Ų128.381%0.81277%0.768SS**  trans53.3-175.1151.3-63.8177.9000117.6
648P37.8Very low31.7Very low123 Ų123128.3 Ų128.380%0.79977%0.773SS**  cis-110.8-142.2-15.227.8-2.9000110.1
649A29.2Very low32Very low81 Ų81125.9 Ų125.967%0.66977%0.773SS**  cis-157.8133.3300000115.3
650V28.3Very low32Very low124 Ų124125.9 Ų125.975%0.75278%0.776SS**  trans33.6116.9132.5-160.80000121.4
651R34.2Very low32.2Very low228 Ų228124.3 Ų124.386%0.8678%0.776SS**  178.7130117.4-93.9172.8-178.21770.4109.7
652S28.6Very low32.4Very low101 Ų101125.8 Ų125.871%0.70678%0.778SS**  65.3132.374.8-45.10000112.2
653V34.3Very low32.8Very low141 Ų141125.6 Ų125.686%0.85578%0.779SS**  cis-142.1-170.414.3-135.60000108.4
654S34.1Very low33Very low111 Ų111123.4 Ų123.478%0.77678%0.78SS**  cis-155.1-175.616.4-88.50000111.3
655A31.6Very low33.4Very low93 Ų93119.1 Ų119.177%0.76978%0.78SS**  trans-129.9-157.9166.500000109.1
656P43.5Very low33.6Very low124 Ų124119.1 Ų119.181%0.80578%0.78SS**  cis-137.3-172.4-12.943-24.9000114.9
657A35.4Very low33.7Very low92 Ų92119 Ų11976%0.7678%0.78SS**  152.5136.6126.600000116.7
658S36.9Very low33.9Very low130 Ų130119.9 Ų119.991%0.90978%0.78SS**  trans16.4141.5150-46.80000121.9
659G36.3Very low33.4Very low75 Ų75119.6 Ų119.677%0.77378%0.775SS**  cis171.1-165.1900000109.6
660S35.1Very low33.4Very low116 Ų116126.1 Ų126.181%0.81178%0.782SS**  cis179.7150-14.147.50000111.5
661A33.5Very low33.3Very low90 Ų90127 Ų12774%0.74478%0.783SS**  trans71.4154.9161.100000120.5
662L34.2Very low33.2Very low160 Ų160125 Ų12584%0.83879%0.786SS**  cis-168.2-170.9-18.5-96.6171.6000107
663P36.4Very low33.1Very low115 Ų115129.8 Ų129.875%0.74779%0.794SS**  -125.5-176.4-7439.6-21.8000115.2
664A31.7Very low33.1Very low88 Ų88127.8 Ų127.873%0.72778%0.784SS**  trans-91.6177163.200000111.9
665P36.1Very low33Very low126 Ų126128.4 Ų128.482%0.81879%0.785SS**  -163.2-178.88944.3-23.7000119.4
666A31Very low33.1Very low82 Ų82129.5 Ų129.568%0.67878%0.784SS**  trans77.8115.113900000125.1
667N28.5Very low32.7Very low143 Ų143129.6 Ų129.677%0.76579%0.785SS**  42.1124.3123.8-58.6-15.2000123.5
668H34.6Very low32.4Very low175 Ų175133.8 Ų133.881%0.8179%0.794SS**  173.7121.4111.2-90.2-65000109.4
669V26.8Very low32Very low116 Ų116131.6 Ų131.670%0.70378%0.783SS**  87.5127.368.2167.70000114.8
670R29.6Very low31.6Very low219 Ų219136.4 Ų136.483%0.82679%0.788SS**  trans81.1119165.6-80.8171.5-178.5175.30.9121.4
671N27Very low31.3Very low143 Ų143138.6 Ų138.677%0.76579%0.79SS**  39.8125.6125.9-52.513000120.8
672M30.9Very low31Very low186 Ų186138.3 Ų138.392%0.91680%0.796SS**  -158.5161.5111.1-98.9-61.3174.200110.2
673F26.6Very low30.7Very low201 Ų201134.3 Ų134.388%0.88279%0.793SS**PPolyproline II helixtrans-91.3168.7-176.3-105.9-117.9000112.9
674P35.8Very low30.4Very low99 Ų99138.4 Ų138.464%0.64380%0.802SS**PPolyproline II helixtrans-97.7172.7-16439.5-37.2000114.7
675P32.4Very low30.2Very low123 Ų123138.1 Ų138.180%0.79981%0.807SS**PPolyproline II helixtrans-102.3122.9158.434.3-25.7000112.7
676P31.7Very low29.7Very low116 Ų116140.5 Ų140.575%0.75381%0.812SS**  trans-85.7-178.9166.937.2-34.3000111.4
677P35.9Very low29.5Very low127 Ų127144.9 Ų144.983%0.82582%0.823SS**  trans-98.8166.1-14738.2-37.1000116.3
678L29.1Very low29.4Very low180 Ų180143 Ų14394%0.94282%0.821SS**  trans-134.7148.5163.6-97.5169.7000110.8
679A27.9Very low29.1Very low83 Ų83140.6 Ų140.669%0.68682%0.821SS**  trans-111.4166.2175.500000110.6
680M28.4Very low29.2Very low176 Ų176141.8 Ų141.887%0.86783%0.828SS**  trans-171.7167.7131.7-96.5-44.3163.300112.8
681L28.9Very low29.1Very low162 Ų162137.4 Ų137.485%0.84883%0.826SS**  trans-69140.1-165.9-80.154.9000116.9
682G26.7Very low29.3Very low85 Ų85137.4 Ų137.488%0.87683%0.832SS**  89.1147.299.900000121.6
683G27.9Very low29.4Very low75 Ų75134.6 Ų134.677%0.77383%0.825SS**  trans131.388.2150.400000119.4
684H30.1Very low29.7Very low202 Ų202130.5 Ų130.594%0.93582%0.817SS**  trans-16.9146.6162.3-52.4-88.1000121.3
685G27.6Very low29.5Very low81 Ų81131.9 Ų131.984%0.83583%0.826SS**  trans-172.49116700000115.6
686L26.8Very low29.4Very low176 Ų176131.1 Ų131.192%0.92182%0.819SS**  trans-46.9145.4-177.3-62.1160.9000117.6
687L26.9Very low29.6Very low174 Ų174135.1 Ų135.191%0.91182%0.824SS**  trans-161.5166.1136.7-109171.3000112.4
688S26.2Very low29.6Very low103 Ų103137.2 Ų137.272%0.7283%0.825SS**PPolyproline II helixtrans-76.3156-158.3-65.60000117.5
689P27.7Very low30.6Very low126 Ų126133.2 Ų133.282%0.81880%0.804SS**PPolyproline II helixtrans-81147.5-178.733.3-36.4000114
690V29.7Very low31.7Very low140 Ų140132 Ų13285%0.84879%0.79SS**PPolyproline II helixtrans-102.5140.6168.6175.10000109.8
691T27.1Very low32.4Very low127 Ų127128.7 Ų128.778%0.77978%0.783SS**PPolyproline II helixtrans-84.2134.9-169.350.70000114.1
692T31.4Very low33.7Very low144 Ų144124.4 Ų124.488%0.88377%0.771SS**  trans-123.5127.7159.8-43.40000108.8
693T32.4Very low35.3Very low127 Ų127124.7 Ų124.778%0.77975%0.75SS**  trans-90.8125.2-161.6510000114.1
694T32.9Very low37Very low115 Ų115125.4 Ų125.471%0.70674%0.735SS**  trans-76.7138161.542.30000110.8T696T694-T696 VanDerWaalsContact C-N 3.29Å; T694-T696 PolarHBondContact O-N 2.83Å
695P31.7Very low38.3Very low128 Ų128120.8 Ų120.883%0.83172%0.717SS**  trans-80.272-179.832.5-35.5000111.8K697P695-K697 PolarHBondContact O-N 2.81Å
696T31.2Very low39.9Very low107 Ų107123.3 Ų123.366%0.65671%0.707SS**  trans-74.787.1177.8-53.50000111.4T694T694-T696 VanDerWaalsContact C-N 3.29Å; T694-T696 PolarHBondContact O-N 2.83Å
697K36Very low41.4Very low200 Ų200117 Ų11787%0.8768%0.68SS**  trans-116.283158.3-77.8-169.9175.1-175.70109.3P695 I699P695-K697 PolarHBondContact O-N 2.81Å; K697-I699 PolarHBondContact O-N 3.1Å
698M35.6Very low42.9Very low170 Ų170113.4 Ų113.484%0.83766%0.661SS**  trans-71.9114.9164.3-67.1-162.5-58.300108.4
699I49.3Very low44.8Very low97 Ų97113 Ų11350%0.49765%0.654SS.*  trans-68.3135.1168.2-100.5175.5000108.3K697 Q703 L704K697-I699 PolarHBondContact O-N 3.1Å; I699-Q703 HydrophobicContact CB-CB 4.32Å; I699-Q703 HydrophobicContact CG1-CB 4.06Å; I699-Q703 HydrophobicContact CG2-CB 3.9Å; I699-L704 HydrophobicContact CG2-CB 3.65Å; I699-L704 HydrophobicContact CG2-CD1 4.12Å; I699-L704 HydrophobicContact CG2-CG 4.47Å
700S50.3Low46.2Very low58 Ų58109.5 Ų109.541%0.40664%0.636SS.*  trans-71.3161.6171.976.50000110.8A702 Q703 L704S700-A702 PolarHBondContact O-N 3.48Å; S700-Q703 CarbonylContact O-C 3.57Å; S700-Q703 WeakPolarHBondContact O-CA 3.37Å; S700-Q703 PolarHBondContact O-N 3.01Å; S700-Q703 WeakPolarHBondContact OG-CG 3.35Å; S700-Q703 PolarHBondContact OG-N 3.43Å; S700-Q703 PolarHBondContact OG-OE1 3.4Å; S700-L704 PolarHBondContact O-N 3.14Å
701C43.6Very low47.3Very low106 Ų106105.8 Ų105.872%0.71662%0.621SS**Hα-helixtrans-57.2-37.3177.9-56.30000112.4L704 D705C701-L704 WeakPolarHBondContact O-CB 3.46Å; C701-L704 PolarHBondContact O-N 2.88Å; C701-L704 VanDerWaalsContact O-N 3.13Å; C701-D705 PolarHBondContact O-N 2.9Å
702A56.3Low48.2Very low72 Ų72103.8 Ų103.860%0.59562%0.617SS**Hα-helixtrans-65.2-37.7174.300000112.7S700 L704 E706S700-A702 PolarHBondContact O-N 3.48Å; A702-L704 VanDerWaalsContact C-N 3.29Å; A702-E706 VanDerWaalsContact O-CB 3.25Å; A702-E706 WeakPolarHBondContact O-CB 3.47Å; A702-E706 PolarHBondContact O-N 2.87Å
703Q61.3Low49Very low90 Ų90101 Ų10142%0.42161%0.609SS.*Hα-helixtrans-73.9-20.5173.1-70.9171.7-40.900112.7I699 S700 A707I699-Q703 HydrophobicContact CB-CB 4.32Å; I699-Q703 HydrophobicContact CG1-CB 4.06Å; I699-Q703 HydrophobicContact CG2-CB 3.9Å; S700-Q703 CarbonylContact O-C 3.57Å; S700-Q703 WeakPolarHBondContact O-CA 3.37Å; S700-Q703 PolarHBondContact O-N 3.01Å; S700-Q703 WeakPolarHBondContact OG-CG 3.35Å; S700-Q703 PolarHBondContact OG-N 3.43Å; S700-Q703 PolarHBondContact OG-OE1 3.4Å; Q703-A707 WeakPolarHBondContact O-CB 3.33Å; Q703-A707 PolarHBondContact O-N 3.39Å
704L62.3Low49.3Very low90 Ų9099.6 Ų99.647%0.47160%0.604SS.*Hα-helixtrans-77.4-44.6173.7-170.263.6000109.9I699 S700 C701 A702 E706 A707 I708I699-L704 HydrophobicContact CG2-CB 3.65Å; I699-L704 HydrophobicContact CG2-CD1 4.12Å; I699-L704 HydrophobicContact CG2-CG 4.47Å; S700-L704 PolarHBondContact O-N 3.14Å; C701-L704 WeakPolarHBondContact O-CB 3.46Å; C701-L704 PolarHBondContact O-N 2.88Å; C701-L704 VanDerWaalsContact O-N 3.13Å; A702-L704 VanDerWaalsContact C-N 3.29Å; L704-E706 VanDerWaalsContact C-N 3.35Å; L704-A707 PolarHBondContact O-N 2.73Å; L704-I708 HydrophobicContact CD1-CD1 4.36Å; L704-I708 HydrophobicContact CG-CD1 3.94Å; L704-I708 VanDerWaalsContact O-CB 3.32Å; L704-I708 WeakPolarHBondContact O-CB 3.3Å; L704-I708 WeakPolarHBondContact O-CG1 3.4Å; L704-I708 PolarHBondContact O-N 2.95Å
705D57.7Low49.3Very low105 Ų10597.2 Ų97.256%0.56160%0.602SS**Hα-helixtrans-62.7-40.7170.5-73.9-24.3000111.3C701 I708 T709C701-D705 PolarHBondContact O-N 2.9Å; D705-I708 PolarHBondContact O-N 3.24Å; D705-T709 WeakPolarHBondContact O-CB 3.4Å; D705-T709 PolarHBondContact O-N 3.44Å; D705-T709 PolarHBondContact O-OG1 2.57Å
706E60.6Low49.5Very low134 Ų13497.1 Ų97.163%0.62660%0.595SS**Hα-helixtrans-63.6-42.1174-172.7176.7-143.700111.6A702 L704 A710A702-E706 VanDerWaalsContact O-CB 3.25Å; A702-E706 WeakPolarHBondContact O-CB 3.47Å; A702-E706 PolarHBondContact O-N 2.87Å; L704-E706 VanDerWaalsContact C-N 3.35Å; E706-A710 WeakPolarHBondContact O-CB 3.5Å; E706-A710 PolarHBondContact O-N 2.81Å
707A58.1Low49.5Very low43 Ų4399.6 Ų99.636%0.35560%0.596SS.*Hα-helixtrans-70-36.617600000113.1Q703 L704 A711Q703-A707 WeakPolarHBondContact O-CB 3.33Å; Q703-A707 PolarHBondContact O-N 3.39Å; L704-A707 PolarHBondContact O-N 2.73Å; A707-A711 VanDerWaalsContact O-CB 3.23Å; A707-A711 WeakPolarHBondContact O-CB 3.1Å; A707-A711 PolarHBondContact O-N 2.67Å
708I58.4Low49.2Very low100 Ų10098.6 Ų98.651%0.51360%0.599SS.*Hα-helixtrans-69.9-42.3175.1-71.9167.7000110.2L704 D705 A711 A712L704-I708 HydrophobicContact CD1-CD1 4.36Å; L704-I708 HydrophobicContact CG-CD1 3.94Å; L704-I708 VanDerWaalsContact O-CB 3.32Å; L704-I708 WeakPolarHBondContact O-CB 3.3Å; L704-I708 WeakPolarHBondContact O-CG1 3.4Å; L704-I708 PolarHBondContact O-N 2.95Å; D705-I708 PolarHBondContact O-N 3.24Å; I708-A711 PolarHBondContact O-N 2.85Å; I708-A712 VanDerWaalsContact O-CB 3.29Å; I708-A712 WeakPolarHBondContact O-CB 3.32Å; I708-A712 PolarHBondContact O-N 2.96Å
709T68Low48.9Very low93 Ų9395.2 Ų95.257%0.57159%0.593SS**Hα-helixtrans-65.5-42.8175.2-590000110.9D705 A712 A713D705-T709 WeakPolarHBondContact O-CB 3.4Å; D705-T709 PolarHBondContact O-N 3.44Å; D705-T709 PolarHBondContact O-OG1 2.57Å; T709-A712 PolarHBondContact O-N 3.46Å; T709-A713 VanDerWaalsContact O-CB 3.22Å; T709-A713 WeakPolarHBondContact O-CB 3.4Å; T709-A713 PolarHBondContact O-N 2.99Å
710A56.7Low48.1Very low53 Ų5396.8 Ų96.844%0.43861%0.607SS.*Hα-helixtrans-63.7-42.2174.700000111.8E706 A713 S714E706-A710 WeakPolarHBondContact O-CB 3.5Å; E706-A710 PolarHBondContact O-N 2.81Å; A710-A713 CarbonylContact O-C 3.59Å; A710-A713 PolarHBondContact O-N 2.82Å; A710-S714 WeakPolarHBondContact O-CB 3.38Å; A710-S714 PolarHBondContact O-N 2.98Å; A710-S714 PolarHBondContact O-OG 2.89Å
711A51.9Low47.2Very low63 Ų6399 Ų9952%0.52162%0.623SS.*Hα-helixtrans-65.9-37.8175.200000112.4A707 I708 A713 S714A707-A711 VanDerWaalsContact O-CB 3.23Å; A707-A711 WeakPolarHBondContact O-CB 3.1Å; A707-A711 PolarHBondContact O-N 2.67Å; I708-A711 PolarHBondContact O-N 2.85Å; A711-A713 VanDerWaalsContact C-N 3.34Å; A711-S714 PolarHBondContact O-N 3.45Å
712A47Very low46.7Very low85 Ų85100 Ų10070%0.70263%0.628SS**Hα-helixtrans-68.9-31.2173.500000112.6I708 T709I708-A712 VanDerWaalsContact O-CB 3.29Å; I708-A712 WeakPolarHBondContact O-CB 3.32Å; I708-A712 PolarHBondContact O-N 2.96Å; T709-A712 PolarHBondContact O-N 3.46Å
713A46.6Very low45.5Very low86 Ų86102.6 Ų102.671%0.71164%0.642SS**Hα-helixtrans-85-8.417700000114.3T709 A710 A711T709-A713 VanDerWaalsContact O-CB 3.22Å; T709-A713 WeakPolarHBondContact O-CB 3.4Å; T709-A713 PolarHBondContact O-N 2.99Å; A710-A713 CarbonylContact O-C 3.59Å; A710-A713 PolarHBondContact O-N 2.82Å; A711-A713 VanDerWaalsContact C-N 3.34Å
714S39Very low43.7Very low96 Ų96108.4 Ų108.467%0.67166%0.661SS**SBendtrans-123.247.7-177.457.40000113A710 A711A710-S714 WeakPolarHBondContact O-CB 3.38Å; A710-S714 PolarHBondContact O-N 2.98Å; A710-S714 PolarHBondContact O-OG 2.89Å; A711-S714 PolarHBondContact O-N 3.45Å
715G34.3Very low42Very low65 Ų65110.2 Ų110.267%0.6767%0.671SS**  trans-133.410.9-173.300000117.2
716D34.9Very low40.5Very low127 Ų127113.8 Ų113.868%0.67968%0.684SS**  trans-107.9121.7-168.9-144.327.6000116
717K30.7Very low39Very low158 Ų158112 Ų11269%0.68769%0.693SS**  trans39.3111153.4-63.2165.7-163102.50119.9
718L30.4Very low37.7Very low179 Ų179113.1 Ų113.194%0.93771%0.708SS**  trans-121.1124.7138.3-103.8155.6000108.5
719S29.5Very low36.5Very low100 Ų100117.1 Ų117.170%0.69972%0.724SS**  trans-150.9110.4-175.962.70000113.3
720T33.2Very low34.6Very low130 Ų130123.5 Ų123.580%0.79874%0.74SS**  trans-161.5151.3167.242.10000107.7
721S30.8Very low33.4Very low105 Ų105128.4 Ų128.473%0.73476%0.757SS**  cis-157.8155.4-24.1-84.20000107.5
722P33.5Very low32.4Very low127 Ų127132.6 Ų132.683%0.82577%0.767SS**  trans-91145.1-175.734.9-34000113.7
723S29.7Very low31.8Very low126 Ų126134.1 Ų134.188%0.88177%0.77SS**  trans-160.4172.2150.7-155.30000111.9
724Y25Very low31.3Very low212 Ų212134.3 Ų134.383%0.83176%0.764SS**  trans-96.2169-170.4-112.4-105.7000114.4
725N25.7Very low31Very low128 Ų128137.3 Ų137.368%0.68477%0.767SS**  trans86113.2157.1-70.1-23.6000121.8
726Q27Very low31Very low179 Ų179141.4 Ų141.484%0.83677%0.769SS**  80137.9129.1-67-172.6-100123.3
727A28Very low31Very low98 Ų98142.4 Ų142.481%0.8177%0.77SS**  trans61.296.8147.300000119.7
728G31.4Very low31.1Very low65 Ų65142.4 Ų142.467%0.6777%0.772SS**  trans-77-160.516300000115
729H32.5Very low31.2Very low185 Ų185140.3 Ų140.386%0.85676%0.758SS**  trans-167.6139.4157.2-99.3-53.1000112.5
730Y29.1Very low31.4Very low227 Ų227142.3 Ų142.389%0.8976%0.756SS**  trans179.9127.6154-92.9-57.5000104.4
731I31.6Very low31.5Very low155 Ų155143.2 Ų143.280%0.79575%0.751SS**  cis-135.4165.513.8-81154.2000110.9
732M30.6Very low31.6Very low151 Ų151144.8 Ų144.874%0.74475%0.751SS**  trans-66.7171.6178.5-74.5-154.18200114.8P734M732-P734 HydrophobicContact CE-CB 4.11Å
733P33.8Very low31.5Very low118 Ų118143.7 Ų143.777%0.76675%0.746SS**  cis-140.7-154.234.446.5-23.1000115.6
734P36.9Very low31.6Very low90 Ų90142.2 Ų142.258%0.58474%0.735SS**  -136176.1-100.641-20.9000118.5M732M732-P734 HydrophobicContact CE-CB 4.11Å
735Q32.4Very low32.1Very low158 Ų158140.4 Ų140.474%0.73873%0.734SS**  trans91.7126.7156.2-62.6-161.115.900122.3
736Q34.4Very low33Very low151 Ų151138.9 Ų138.971%0.70673%0.731SS**  trans67146.1149.7-61.6176.450.800119.2
737Q33.9Very low33.4Very low149 Ų149137.6 Ų137.670%0.69673%0.729SS**  cis-164.4149.6-13.9-116.6177.711.700111
738Q34Very low34.1Very low157 Ų157137.5 Ų137.573%0.73472%0.72SS**  trans60157.1154.8-73.9-178.9-16.800120.8
739Q32.8Very low34.3Very low135 Ų135141.2 Ų141.263%0.63173%0.73SS**  cis-167.4150.2-30.6-118.5-177.9-15.600112
740Q34.2Very low34.6Very low142 Ų142135.6 Ų135.666%0.66472%0.722SS**  trans65157.3148.9-65177.624.500121.1
741Q33.7Very low35.1Very low150 Ų150131.9 Ų131.970%0.70172%0.723SS**  cis-165.8151.1-24.4-112178.81.700114.7
742L32.7Very low35.3Very low138 Ų138129.7 Ų129.772%0.72372%0.721SS**  trans62.3135.9139-74.9165.2000127.9
743S31.3Very low35.6Very low104 Ų104128 Ų12873%0.72773%0.725SS**  trans76.9153.2133.568.20000123
744S33.5Very low35.7Very low94 Ų94131.4 Ų131.466%0.65773%0.73SS**  cis-177.1158.6-25.960.40000115.4
745H35.3Very low35.9Very low175 Ų175132.6 Ų132.681%0.8174%0.738SS**  trans81.8168.3145.5-74.9-46.6000121.5
746P43.6Very low36.1Very low95 Ų95130.8 Ų130.862%0.61774%0.739SS**  -149.6-164.6-83.241.9-18.1000118.8
747I35.4Very low36.1Very low152 Ų152129 Ų12978%0.77974%0.741SS**  trans80.6149144-89.8173.1000120.4
748P43.1Very low36.2Very low96 Ų96127.6 Ų127.662%0.62375%0.745SS**  cis-147.1-179.8-28.345.7-27.6000118.1
749T35.7Very low36.3Very low144 Ų144125.8 Ų125.888%0.88375%0.747SS**  trans55.4143.8153.552.80000121.6
750G39.1Very low36.4Very low67 Ų67125 Ų12569%0.69175%0.754SS**  cis-174-164.35.100000109.7
751T39.8Very low36.5Very low148 Ų148123.8 Ų123.891%0.90876%0.758SS**  cis-125.7-117.93.760.20000112.6
752S35.9Very low36.2Very low109 Ų109125.6 Ų125.676%0.76277%0.766SS**  trans-170.5141.8-158.258.60000119.9
753S36.8Very low35.8Very low117 Ų117126.9 Ų126.982%0.81877%0.77SS**  trans-156.3133.4130.359.50000111.5
754H35.3Very low35.6Very low188 Ų188130.8 Ų130.887%0.8777%0.774SS**  trans-152.5133.7-175.2-112.1-76.6000111.1
755P41.3Very low35.3Very low116 Ų116134.1 Ų134.175%0.75378%0.777SS**PPolyproline II helixtrans-82.1166.4159.9-11.129.4000112.3
756P37Very low34.8Very low119 Ų119132.9 Ų132.977%0.77377%0.772SS**PPolyproline II helixtrans-95.5165.2-155.436.5-37.7000117.3
757P34.4Very low34.1Very low115 Ų115137.8 Ų137.875%0.74778%0.784SS**PPolyproline II helixtrans-70.7171.8169.232.1-37000113.3
758P34.6Very low33.7Very low118 Ų118133 Ų13377%0.76677%0.767SS**PPolyproline II helixtrans-82.8151.3-15531.8-37000116
759P38Very low33.1Very low119 Ų119135.6 Ų135.677%0.77378%0.775SS**PPolyproline II helixtrans-80.5153.1169.234.1-34.6000112.8
760P33.7Very low32.9Very low120 Ų120131.6 Ų131.678%0.77976%0.763SS**  trans-99-163-173.545.5-40.9000112.1
761P35.7Very low32.4Very low115 Ų115137.2 Ų137.275%0.74777%0.769SS**  trans-90.9152.8-142.337.7-40000116.2
762H28.2Very low31.9Very low188 Ų188135.7 Ų135.787%0.8776%0.763SS**  trans-140.8128.4158.9-87.2-85.9000111.6
763M25Very low31.7Very low165 Ų165137.6 Ų137.681%0.81376%0.764SS**  trans-81.6153.7165-59.9-157-54.800110.5
764F26Very low31.7Very low187 Ų187137.6 Ų137.682%0.8276%0.762SS**  trans-14596153.3-121.7-93.5000113.6
765F26.7Very low31.4Very low163 Ų163132 Ų13272%0.71575%0.754SS**  trans56.7102.4148.8-65.3-94.4000124
766H26Very low30.9Very low150 Ų150135.7 Ų135.769%0.69476%0.762SS**  19.1133.1114-85.2-88.5000121.7
767F28.3Very low30.5Very low198 Ų198133.1 Ų133.187%0.86876%0.757SS**  -138.713295.3-101.8-94.5000106.3
768A27.7Very low30.5Very low52 Ų52135.5 Ų135.543%0.4376%0.758SS.*  66123.851.100000111.6
769D31Very low30.4Very low149 Ų149138.2 Ų138.280%0.79776%0.76SS**  cis-142.4170.413.5-75.8-60.9000111.3
770G29.6Very low30.1Very low61 Ų61136.7 Ų136.763%0.62976%0.757SS**  cis163.9179.2-5.500000113.4
771F29.7Very low30.3Very low184 Ų184136.5 Ų136.581%0.80776%0.756SS**  trans73.7104.8162.4-62-82.4000122.3
772C28.1Very low30.4Very low116 Ų116136.3 Ų136.378%0.78476%0.755SS**  88.178.5124.6-720000123.2
773N31.7Very low30.5Very low149 Ų149131.6 Ų131.680%0.79775%0.749SS**  -40.9175.3113.6-140.811000113.2
774P38.1Very low30.7Very low117 Ų117130 Ų13076%0.7675%0.749SS**  cis-134.7-178.2-9.640.3-22.6000115.1
775G28.3Very low30.7Very low70 Ų70127.9 Ų127.972%0.72274%0.743SS**  trans138.2153.4148.100000116.8
776Q30.4Very low30.7Very low195 Ų195130.9 Ų130.991%0.91175%0.75SS**  cis-162.6124.9-12.9-153.4177.52400110.9
777G30.2Very low31.3Very low64 Ų64128.6 Ų128.666%0.6675%0.748SS**  trans67.2178169.700000116.5
778H32.6Very low31.3Very low166 Ų166127.6 Ų127.677%0.76975%0.746SS**  cis-153.5151.5-21.1-110.8-65.8000109.7
779Q33.6Very low31.2Very low174 Ų174129.4 Ų129.481%0.81376%0.755SS**  trans5689.6152.7-69.1168.8-10.300118.8
780A31.9Very low31.1Very low87 Ų87127.6 Ų127.672%0.71975%0.754SS**  -64.3-179.1126.700000109.9
781P38.4Very low31.3Very low117 Ų117130.1 Ų130.176%0.7676%0.762SS**  cis-135.4-127.55.534.1-8.3000112.1
782P36.3Very low31.6Very low110 Ų110127.4 Ų127.471%0.71476%0.763SS**  -118.7170.6-77.428.9-10.9000115.5
783A29.9Very low31.5Very low90 Ų90127.1 Ų127.174%0.74476%0.761SS**  trans45.4124.2139.900000122.5
784T30.8Very low31.5Very low132 Ų132130.2 Ų130.281%0.8176%0.763SS**  trans-169.4155.9142.3170000105.4
785M25.2Very low31.3Very low142 Ų142130.8 Ų130.870%0.777%0.767SS**  cis161.8123.4-22.2-108.7-174.961.600104.4
786W27.8Very low31.2Very low226 Ų226131 Ų13186%0.85676%0.762SS**  trans65.6169.8152.8-67.256.3000117.3
787P37.5Very low31.1Very low102 Ų102126.3 Ų126.366%0.66275%0.751SS**  cis-132.4-175.2-36.237.5-19.9000114
788H27.9Very low31.1Very low176 Ų176134.2 Ų134.282%0.81576%0.762SS**  trans39.4134.1143.7-98.4-111.5000124.9
789S26.9Very low30.9Very low90 Ų90129.8 Ų129.863%0.62976%0.762SS**  trans71.9133.3133.864.30000124.3
790S28.5Very low30.8Very low112 Ų112127 Ų12778%0.78376%0.762SS**  trans69.5144.2144.247.80000121.9
791S33.8Very low30.8Very low114 Ų114127.9 Ų127.980%0.79776%0.762SS**  trans-62.7160.6168.2-41.60000112.4
792P35.6Very low30.4Very low127 Ų127128.1 Ų128.183%0.82577%0.765SS**  -143.1168.2110.137.6-24.1000116.9
793C26.4Very low30.1Very low110 Ų110125.7 Ų125.774%0.74376%0.76SS**  trans-56.6160.5-179.1-55.70000117.8
794Y31.6Very low30.4Very low213 Ų213127.9 Ų127.984%0.83577%0.77SS**  trans34.8138.5139.7-78.4-77.8000120.8
795P32.8Very low30.5Very low129 Ų129124.3 Ų124.384%0.83876%0.759SS**  -131.9153.294.937.2-30000114.3
796A27.5Very low30.9Very low74 Ų74124.7 Ų124.761%0.61277%0.77SS**  trans-94.3160.8163.800000110.2
797S28.6Very low31.2Very low98 Ų98117.7 Ų117.769%0.68577%0.768SS**  163.6160.9113-69.60000115.1
798Y29.7Very low31Very low230 Ų230118.1 Ų118.190%0.90278%0.78SS**  trans69.3120152.1-70.2-59.4000122.8
799G29Very low31.4Very low73 Ų73112.7 Ų112.775%0.75377%0.772SS**  trans101.6132.4140.100000116.2
800S32Very low31.8Very low116 Ų116115.2 Ų115.281%0.81178%0.783SS**  cis-163.9167.2-12.2-148.30000111.2
801S30.9Very low32.1Very low105 Ų105115.4 Ų115.473%0.73479%0.785SS**  trans24.7137.2141.1-150.30000119.8
802C29Very low32.3Very low121 Ų121115 Ų11582%0.81878%0.78SS**  cis-175.7172.92.248.10000107.2
803G31.1Very low32.5Very low60 Ų60117.4 Ų117.462%0.61978%0.78SS**  cis162.8166.1-2.700000110.4
804S35.2Very low32.9Very low136 Ų136118.1 Ų118.195%0.95178%0.776SS**  trans62.4146.117464.10000118.5
805G32.9Very low33.2Very low56 Ų56113.5 Ų113.558%0.57777%0.766SS**  cis-162.3147.9-8.700000111.3
806T34Very low33.3Very low151 Ų151114.5 Ų114.593%0.92676%0.764SS**  59.6123.7102.4610000115.1
807G34.1Very low33.6Very low79 Ų79114.6 Ų114.681%0.81477%0.772SS**  cis-177.3-152.34.300000107.7
808A34.4Very low33.6Very low110 Ų110117.8 Ų117.891%0.90978%0.782SS**  cis-177.5156.6-26.400000107.8
809G34.6Very low33.8Very low63 Ų63111.6 Ų111.665%0.64978%0.778SS**  trans125113.5170.200000115
810T36.9Very low33.9Very low142 Ų142112.4 Ų112.487%0.87179%0.786SS**  78137.562.760.90000114.6
811S33.6Very low33.8Very low116 Ų116111.2 Ų111.281%0.81178%0.784SS**  cis-167.3165.3-18.8-1240000109.8
812P39.3Very low33.9Very low107 Ų107114.7 Ų114.770%0.69579%0.793SS**  trans-110.2161.3-169.640.3-34000116.8
813H38.2Very low34Very low177 Ų177120.2 Ų120.282%0.81980%0.797SS**  trans-170156.1167.1-85.7-42.4000109.1
814N36.5Very low34.1Very low125 Ų125122.9 Ų122.967%0.66880%0.803SS**  cis-164.9174.6-19.2-121.740.8000111.7
815N36.1Very low34Very low115 Ų115120.9 Ų120.962%0.61580%0.795SS**  trans55.1111.6158.1-69.165.9000123.4
816D35.1Very low34.2Very low150 Ų150123.6 Ų123.680%0.80281%0.805SS**  59.7125.6121-45.4-30.5000123.2
817G33.9Very low34.4Very low76 Ų76122 Ų12278%0.78480%0.797SS**  trans-177.222.7177.500000121.2
818N28.4Very low34.3Very low166 Ų166122.2 Ų122.289%0.88879%0.791SS**  trans53.785.9163.3-172.426.9000119.2
819A35.6Very low34.3Very low99 Ų99124.8 Ų124.882%0.81879%0.789SS**  trans-153.5121.4159.700000112.6A821A819-A821 PolarHBondContact O-N 3.41Å
820G29.2Very low34.3Very low90 Ų90126.3 Ų126.393%0.92879%0.79SS**  trans-90.885.8-173.300000115.1
821A31.5Very low34Very low92 Ų92124.4 Ų124.476%0.7678%0.782SS**  trans-154.798.7170.500000113.1A819A819-A821 PolarHBondContact O-N 3.41Å
822L31.6Very low34Very low178 Ų178124.3 Ų124.393%0.93278%0.781SS**  trans-142.1147.4172.5-77.7177.5000112.9
823R31.5Very low33.6Very low237 Ų237124 Ų12489%0.89478%0.781SS**  trans-90.4148.6161.9-75.7-179.1166.8-152.9-1.2110
824P34.5Very low33.3Very low116 Ų116123.8 Ų123.875%0.75379%0.786SS**  -102.2145129.512.16.1000109.1
825A31.2Very low32.9Very low94 Ų94121.1 Ų121.178%0.77779%0.787SS**  cis78113.93500000112.9
826S38.6Very low32.7Very low113 Ų113121.6 Ų121.679%0.7980%0.8SS**  trans-81.6168.9176.6-320000111.8
827P36.7Very low32.3Very low118 Ų118123.3 Ų123.377%0.76680%0.803SS**  trans-103.9146.1130.638-32.6000108.6
828A32.7Very low32.2Very low83 Ų83124.8 Ų124.869%0.68680%0.801SS**  cis66.6146.334.200000111.5
829L33.8Very low32.2Very low163 Ų163125.2 Ų125.285%0.85380%0.798SS**  cis-125-172.61.3-64.6157.1000107.1
830S35.1Very low31.9Very low96 Ų96132.2 Ų132.267%0.67180%0.803SS**  cis-154.113121.7-63.80000107.6
831S30.9Very low31.9Very low102 Ų102133.1 Ų133.171%0.71380%0.795SS**  39.5130.791.669.50000114.9
832S33.2Very low31.8Very low114 Ų114132 Ų13280%0.79779%0.794SS**  cis-131.6151.535.846.60000114.1
833S30.5Very low31.6Very low99 Ų99129.6 Ų129.669%0.69279%0.786SS**  cis92.567.321.286.30000117.1
834L33.4Very low31.6Very low174 Ų174122.9 Ų122.991%0.91178%0.775SS**  trans-141.2127148-70.2178000107.3
835G28.5Very low31.6Very low68 Ų68123.8 Ų123.870%0.70177%0.774SS**  cis100.266.8-2.900000113.9
836S31Very low31.4Very low125 Ų125130.3 Ų130.387%0.87478%0.778SS**  trans-156134.8159.2-96.50000110.8
837E26.3Very low31.1Very low187 Ų187129.6 Ų129.687%0.87477%0.774SS**  trans-72.1155.2167-60.6155.994.700110.2
838S32.5Very low30.7Very low107 Ų107134.7 Ų134.775%0.74878%0.778SS**  trans-150110.7157.544.40000112.1
839Q27.1Very low30.5Very low175 Ų175138.9 Ų138.982%0.81879%0.787SS**  trans-72.8127.5163.1-60.8175.95.400108.5
840W30.4Very low30.4Very low245 Ų245134 Ų13493%0.92878%0.776SS**  trans-131.6100.7159.1-88.388.6000110.2
841S29.1Very low30.4Very low109 Ų109137.7 Ų137.776%0.76278%0.783SS**  trans-86149.5176.4-48.70000111.4
842G28.7Very low30.6Very low70 Ų70140.1 Ų140.172%0.72279%0.788SS**  trans164.8134.5158.600000114.6
843T27.9Very low30.7Very low127 Ų127138.4 Ų138.478%0.77979%0.789SS**  cis-151.6173.4-10.259.40000110.2
844S31.9Very low30.8Very low95 Ų95142.7 Ų142.766%0.66480%0.797SS**  trans78.3127.8156.4-53.40000117.3
845N34.1Very low30.9Very low136 Ų136139.6 Ų139.673%0.72779%0.788SS**  cis-145.1141.2-8.6-88.3-43.4000107.8
846R27.2Very low31.2Very low230 Ų230140.7 Ų140.787%0.86878%0.784SS**  40.5120.987.7-84.6-169.7177.9-1543.1112.5
847S32.8Very low31.4Very low99 Ų99142.5 Ų142.569%0.69278%0.783SS**  cis-163.3146.435.2-62.30000115.4
848R27.1Very low31.5Very low224 Ų224138.4 Ų138.485%0.84578%0.775SS**  50.8135.4128.6-64.6-175.6170.7-153.3-3.4123.3
849L29.9Very low31.9Very low171 Ų171139.1 Ų139.190%0.89578%0.776SS**  trans71.7141.2152.2-59.8152.6000117
850G31.2Very low32.2Very low60 Ų60137 Ų13762%0.61978%0.776SS**  cis167.1155.9-9.400000113
851H35.4Very low32.5Very low174 Ų174130.7 Ų130.781%0.80677%0.766SS**  trans64.8153.8175.4-67.4-60.9000116.9
852N34.6Very low32.8Very low153 Ų153131 Ų13182%0.81877%0.769SS**  cis-156.8156.3-5.6-112-15000110.1
853G33.8Very low33.1Very low79 Ų79132 Ų13281%0.81477%0.77SS**  trans147.581.9164.900000118.6
854H34Very low33.2Very low188 Ų188134.1 Ų134.187%0.8778%0.776SS**  trans-93.1178.1164.1-111.3-106000110.3
855P36Very low33.2Very low110 Ų110133.4 Ų133.471%0.71478%0.783SS**  cis-119.7-162.8-12.937.9-17.5000110.6
856S33.5Very low33Very low90 Ų90132.4 Ų132.463%0.62979%0.787SS**  -179131.256.2-161.90000115.2
857I34.7Very low33.3Very low164 Ų164125.5 Ų125.584%0.84178%0.779SS**  trans61.4131140.1-64173.6000121
858S29.9Very low33.1Very low101 Ų101128.9 Ų128.971%0.70678%0.783SS**  trans-97178.1170.357.30000112.1
859P39.7Very low33.2Very low121 Ų121124.7 Ų124.779%0.78678%0.777SS**  -149153.994.437.8-21.1000116.3
860T33.7Very low33.2Very low132 Ų132121.7 Ų121.781%0.8177%0.771SS**  trans-95160.7150.4500000108.8
861P38Very low33.5Very low111 Ų111124.2 Ų124.272%0.72178%0.776SS**  -152.9168.596.641.8-24.7000116.2
862S35.1Very low33.2Very low117 Ų117123.9 Ų123.982%0.81878%0.775SS**  trans39.3153.2132.4-600000123.4
863A34.4Very low33Very low89 Ų89123.6 Ų123.674%0.73677%0.772SS**  cis-169.3-175.6-15.100000109.7
864L30.4Very low32.8Very low173 Ų173123.5 Ų123.591%0.90676%0.764SS**  trans-56.9148.2177.4-69.270000113.4
865G31.5Very low32.5Very low79 Ų79122.6 Ų122.681%0.81476%0.76SS**  trans-154.7120.4164.900000110.4
866S31Very low32.2Very low116 Ų116124.1 Ų124.181%0.81176%0.759SS**  trans-104.7165.1-171.9-66.70000113.3
867A31.6Very low32.1Very low85 Ų85129.9 Ų129.970%0.70277%0.767SS**  trans85.4125.5152.400000120.6
868Q29.2Very low31.9Very low169 Ų169127.3 Ų127.379%0.7976%0.759SS**  trans69.3125.4133.6-74.5-175.1-78.700123.3
869L29.3Very low32.1Very low137 Ų137131.5 Ų131.572%0.71777%0.767SS**  trans68.9103.4134.7-62.8172.3000120.3
870S29.9Very low31.8Very low108 Ų108134.2 Ų134.276%0.75577%0.769SS**  70.7172.5127.6-65.10000118.7
871P38.3Very low32Very low112 Ų112133.1 Ų133.173%0.72776%0.764SS**  cis-128.9176.4-36.733.8-17.4000113.4
872H29.2Very low31.8Very low168 Ų168134.9 Ų134.978%0.77877%0.767SS**  trans56141.3148-109.6-51.9000122.9
873L29.6Very low31.9Very low147 Ų147136.6 Ų136.677%0.7776%0.761SS**  trans66.1112.5154.1-69.4159000116.1
874A31.1Very low31.8Very low77 Ų77138.5 Ų138.564%0.63676%0.755SS**  97.511081.800000109.8
875E27.1Very low32.1Very low169 Ų169137.6 Ų137.679%0.7975%0.746SS**  84.3141.473.5-169179.6-144.300112.1
876M30Very low32.4Very low142 Ų142142.5 Ų142.570%0.775%0.748SS**  trans70.3149.2-173-64.1176.8-84.800114.8
877R30.9Very low33Very low210 Ų210142.2 Ų142.279%0.79274%0.743SS**  cis-148.6132.9-8.2-112.9161.9172.3150.6-3.9106.9
878V29.3Very low33.5Very low110 Ų110143.5 Ų143.567%0.66774%0.744SS**  53.5107.887.7-174.60000115.5
879Q34.1Very low33.6Very low189 Ų189139.8 Ų139.888%0.88374%0.737SS**  trans-176.1101.2139.3-98.9159.740.600106.7
880H33.8Very low34.1Very low178 Ų178141.6 Ų141.682%0.82474%0.741SS**  68.1143.275.9-90.1-76.8000116.3
881P38.4Very low34.4Very low109 Ų109140.6 Ų140.671%0.70874%0.74SS**  trans-110.7170.9-158.842.9-36000114.9
882L33.9Very low34.3Very low149 Ų149139.8 Ų139.878%0.7874%0.736SS**  trans-149.5130.5162.9-93.6175.5000107.5
883H36.3Very low34.7Very low152 Ų152140 Ų14070%0.70474%0.738SS**  69.4142.898.6-87.143.8000115.2
884Q33.3Very low34.8Very low129 Ų129143 Ų14360%0.60374%0.739SS**  cis-172.2177.1-6.5-160.1-17657.700109.1
885Q37.3Very low35.4Very low155 Ų155145.2 Ų145.272%0.72475%0.746SS**  trans73123.3162.1-53175.925.200115.5
886H37.4Very low35.8Very low182 Ų182145.4 Ų145.484%0.84375%0.747SS**  cis58.9150.938.2-71.8-68.1000115
887P43.1Very low36Very low110 Ų110142 Ų14271%0.71475%0.748SS**  cis-130.4-138.3-36.539.8-19.9000107.6
888P41.5Very low36.3Very low112 Ų112139.8 Ų139.873%0.72775%0.747SS**  cis-128-171.7-24.438.8-20000114.5
889S32.6Very low36.5Very low90 Ų90142.7 Ų142.763%0.62976%0.755SS**  trans-64.5161.2166.453.50000114.7
890H38.9Very low36.6Very low176 Ų176137.1 Ų137.182%0.81575%0.749SS**  179.8142.7122-98.2-65.7000113.7
891A36.7Very low36.8Very low87 Ų87131.8 Ų131.872%0.71974%0.742SS**  trans59.8174.1141.600000120
892S34.9Very low36.7Very low94 Ų94135.8 Ų135.866%0.65775%0.751SS**  cis-165.8152.7-45.8-87.60000109.2
893H38.3Very low36.8Very low174 Ų174133 Ų13381%0.80675%0.75SS**  trans58.6133.2158.2-61.5-53.3000121.7
894R32.5Very low36.6Very low209 Ų209134.6 Ų134.679%0.78976%0.759SS**  17.3145.7121.6-83.2-174.8177.1-158.9-1.4118.7
895P42.6Very low36.7Very low123 Ų123133.4 Ų133.480%0.79977%0.765SS**  -145.8-171.851.842.1-23.1000117.9
896H34.9Very low36.6Very low173 Ų173130.5 Ų130.580%0.80176%0.762SS**  trans-67.2158.9174.4-68.3-83.3000114.2
897G35.6Very low36.3Very low71 Ų71132 Ų13273%0.73276%0.762SS**  139.7165129.400000115.4
898Q35.9Very low36.1Very low164 Ų164132 Ų13277%0.76676%0.76SS**  cis-173.7157.8-31.7-150.7-179.716.100107
899M35.3Very low35.9Very low170 Ų170132.2 Ų132.284%0.83776%0.761SS**  trans66.2155.9173.6-44.6-57.4-169.500115.6
900G35.6Very low36.3Very low73 Ų73136.5 Ų136.575%0.75377%0.771SS**  cis172.5169.4-7.500000112.3
901G37.1Very low36.2Very low66 Ų66137.6 Ų137.668%0.6877%0.768SS**  trans89105.3179.200000113
902H36.9Very low36.5Very low193 Ų193138.7 Ų138.789%0.89477%0.767SS**  cis83.413944.4-67.5-73.3000116.3
903A36Very low36.7Very low91 Ų91139.5 Ų139.575%0.75277%0.77SS**  trans928715500000120.8
904M33.1Very low36.8Very low184 Ų184135.6 Ų135.691%0.90676%0.761SS**  53.2118.3121-58.8-56.9178.500122
905S34.6Very low37.6Very low104 Ų104131.1 Ų131.173%0.72776%0.759SS**  132127.5111.2-158.50000117
906S34.7Very low37.6Very low94 Ų94131.1 Ų131.166%0.65776%0.759SS**  trans68.9119.9144.8-58.10000122.9
907Y31.8Very low37.9Very low214 Ų214131.5 Ų131.584%0.83976%0.761SS**  trans30.1120.5135.4-64-88000120.6
908V39.2Very low38Very low110 Ų110133.7 Ų133.767%0.66776%0.762SS**  -17113591.2152.10000109.4
909P37.3Very low38.1Very low117 Ų117131.5 Ų131.576%0.7677%0.765SS**  trans-92.6128.3178.734.1-31.6000113.1
910H40.6Very low38.1Very low179 Ų179131.7 Ų131.783%0.82977%0.767SS**  trans-117.8147.4170-82.3-74.5000112.5
911R37.5Very low38.2Very low199 Ų199133.1 Ų133.175%0.75177%0.766SS**  trans-138.5129.7-167.8175.9-173.3-171.1-114.54.8112
912P41.9Very low38.1Very low110 Ų110135.4 Ų135.471%0.71477%0.771SS**  trans-105.3173.9159.741.4-32.9000110.8
913P40.5Very low38Very low111 Ų111132.5 Ų132.572%0.72177%0.77SS**  -113.4168.4-86.928.5-10.8000113.7
914P40Very low38Very low93 Ų93135.1 Ų135.160%0.60477%0.771SS**PPolyproline II helixtrans-95.2143.9-173.535.7-33.6000115.2
915P48.1Very low38.2Very low114 Ų114132.1 Ų132.174%0.7477%0.765SS**PPolyproline II helixtrans-76.7166.1156.1-13.730.9000112.5
916P44.1Very low38.3Very low124 Ų124132.9 Ų132.981%0.80577%0.765SS**PPolyproline II helixtrans-82.7164.1-159.232-37.2000116.9
917H39.8Very low38.5Very low181 Ų181134.7 Ų134.784%0.83878%0.775SS**PPolyproline II helixtrans-75.2154.7-177.1-70.5-107.1000114.1
918P37.5Very low38.7Very low117 Ų117130.7 Ų130.776%0.7677%0.773SS**PPolyproline II helixtrans-80.9141.1176.233.1-34.7000112.9
919S38.6Very low38.3Very low118 Ų118129.9 Ų129.983%0.82578%0.778SS**PPolyproline II helixtrans-77.4131.8169.852.20000111.5
920I35.6Very low38.1Very low174 Ų174131 Ų13189%0.89278%0.782SS**PPolyproline II helixtrans-85.8126.4-177.3-62.4166.7000110.7
921S37.2Very low37.6Very low103 Ų103126.9 Ų126.972%0.7279%0.789SS**  trans-158.6105.2163.860.40000112.4
922S35.6Very low37.5Very low113 Ų113122.2 Ų122.279%0.7979%0.792SS**  trans59.4129.9166.8-58.10000119.3N924S922-N924 PolarHBondContact O-N 3.2Å
923P34.8Very low36.9Very low133 Ų133120.6 Ų120.686%0.86480%0.796SS**  trans-80121.2178.832.1-33.1000111.9
924N35.4Very low36.7Very low146 Ų146118.1 Ų118.178%0.78179%0.79SS**  trans-100.7128.4166.6-150.89.5000107.6S922 T926S922-N924 PolarHBondContact O-N 3.2Å; N924-T926 PolarHBondContact O-N 3.13Å
925P36.8Very low36.6Very low121 Ų121117.4 Ų117.479%0.78679%0.786SS**  trans-72.4101.1-165.527.2-34.8000112.9
926T37.1Very low36Very low119 Ų119120 Ų12073%0.7378%0.781SS**  trans-78.6123.4165.651.10000109.8N924 V928N924-T926 PolarHBondContact O-N 3.13Å; T926-V928 PolarHBondContact O-N 3.4Å
927P38.3Very low35.8Very low133 Ų133121.1 Ų121.186%0.86477%0.77SS**  trans-67.6134.2-176.526.9-34.3000111.8
928V36.1Very low36Very low130 Ų130120.1 Ų120.179%0.78877%0.766SS**  trans-104.1126.7178.7176.50000109.7T926T926-V928 PolarHBondContact O-N 3.4Å
929A31.1Very low37Very low93 Ų93120.9 Ų120.977%0.76976%0.761SS**  trans41.897.3160.300000119.4
930T34.5Very low38.7Very low140 Ų140118.4 Ų118.486%0.85974%0.737SS**  trans-131.4106.6149.841.90000110.8A932T930-A932 PolarHBondContact O-N 2.89Å
931G30.1Very low41Very low93 Ų93112 Ų11296%0.95971%0.705SS**  trans-88.651.6-175.900000114.6
932A34.2Very low43.2Very low100 Ų100108.1 Ų108.183%0.82668%0.677SS**  trans-157.188.1175.300000110.3T930T930-A932 PolarHBondContact O-N 2.89Å
933G29.2Very low45.7Very low77 Ų77102.8 Ų102.879%0.79464%0.64SS**  trans-148.851.4-167.300000114.4
934G36.5Very low48.3Very low58 Ų5897.5 Ų97.560%0.59860%0.604SS**  trans-62.2146.1163.100000110.3W936G934-W936 PolarHBondContact O-N 2.94Å; G934-W936 VanDerWaalsContact O-N 3.14Å
935P38.2Very low50.7Low79 Ų7996.2 Ų96.251%0.51359%0.589SS.*  trans-59.2118.4177.6-21.934.1000110.2Y937 E938P935-Y937 HydrophobicContact CB-CD2 3.55Å; P935-Y937 HydrophobicContact CB-CE2 3.89Å; P935-Y937 PolarHBondContact O-N 2.91Å; P935-E938 WeakPolarHBondContact O-CB 3.48Å; P935-E938 PolarHBondContact O-N 2.8Å
936W35.5Very low53.1Low168 Ų16891.3 Ų91.364%0.63656%0.555SS**G310 helixtrans-54.8-26-169.257-97.2000115.1G934 E938 M939 I940G934-W936 PolarHBondContact O-N 2.94Å; G934-W936 VanDerWaalsContact O-N 3.14Å; W936-E938 PolarHBondContact O-N 2.92Å; W936-M939 PolarHBondContact O-N 3.14Å; W936-I940 HydrophobicContact CE3-CD1 4.37Å; W936-I940 HydrophobicContact CZ3-CD1 4.15Å
937Y39.7Very low55.5Low147 Ų14786.6 Ų86.658%0.57653%0.525SS*.G310 helixtrans-53.7-29.6171.7-30.4-98.5000113.3P935 M939 I940P935-Y937 HydrophobicContact CB-CD2 3.55Å; P935-Y937 HydrophobicContact CB-CE2 3.89Å; P935-Y937 PolarHBondContact O-N 2.91Å; Y937-M939 VanDerWaalsContact C-N 3.27Å; Y937-M939 PolarHBondContact O-N 2.93Å; Y937-I940 PolarHBondContact O-N 2.75Å
938E44.4Very low57.5Low160 Ų16084 Ų8475%0.74852%0.515SS*.G310 helixtrans-72.5-16.3-177.4-163.9164.2-132.600113P935 W936P935-E938 WeakPolarHBondContact O-CB 3.48Å; P935-E938 PolarHBondContact O-N 2.8Å; W936-E938 PolarHBondContact O-N 2.92Å
939M57.8Low59.5Low133 Ų13381 Ų8166%0.65549%0.492SS*.G310 helixtrans-86.8-9.2177.7-164.2168.568.200113.5W936 Y937 L941W936-M939 PolarHBondContact O-N 3.14Å; Y937-M939 VanDerWaalsContact C-N 3.27Å; Y937-M939 PolarHBondContact O-N 2.93Å; M939-L941 PolarHBondContact O-N 2.86Å
940I75Confident62.1Low66 Ų6676.6 Ų76.634%0.33846%0.456SS..SBendtrans-86.4111.3-175.7-54.1178.9000109.8W936 Y937 D944 R945W936-I940 HydrophobicContact CE3-CD1 4.37Å; W936-I940 HydrophobicContact CZ3-CD1 4.15Å; Y937-I940 PolarHBondContact O-N 2.75Å; I940-D944 HydrophobicContact CG2-CB 3.82Å; I940-R945 HydrophobicContact CG2-CG 3.75Å
941L83.5Confident64.4Low39 Ų3977.9 Ų77.920%0.20445%0.445CS..  trans-65.1147.5179.8-57.2-172.7000110.2M939 P943 D944 Y1000 L1001M939-L941 PolarHBondContact O-N 2.86Å; L941-P943 VanDerWaalsContact C-CD 3.46Å; L941-P943 VanDerWaalsContact O-N 3.16Å; L941-D944 WeakPolarHBondContact CB-OD2 3.23Å; L941-D944 PolarHBondContact N-OD2 3.3Å; L941-D944 WeakPolarHBondContact O-CB 3.46Å; L941-D944 PolarHBondContact O-N 3.46Å; L941-Y1000 HydrophobicContact CD1-CD1 4.42Å; L941-Y1000 HydrophobicContact CD2-CE1 4.16Å; L941-L1001 HydrophobicContact CD1-CD2 3.56Å; L941-L1001 HydrophobicContact CD1-CG 3.95Å
942P83.1Confident67Low23 Ų2378.2 Ų78.215%0.14943%0.425CS..Hα-helixtrans-49.7-45.7-175.1-27.935.6000114.5D944 R945 Y946 W996 Y1000P942-D944 PolarHBondContact O-N 3.01Å; P942-R945 PolarHBondContact O-N 2.82Å; P942-Y946 WeakPolarHBondContact O-CD2 3.47Å; P942-Y946 VanDerWaalsContact O-CE2 3.22Å; P942-Y946 WeakPolarHBondContact O-CE2 3.3Å; P942-W996 HydrophobicContact CB-CZ2 4.46Å; P942-Y1000 HydrophobicContact CB-CE2 4.4Å; P942-Y1000 VanDerWaalsContact CD-CZ 3.46Å; P942-Y1000 HydrophobicContact CG-CD2 4.44Å; P942-Y1000 HydrophobicContact CG-CE2 3.63Å
943P88.2Confident69.6Low0 Ų075.1 Ų75.10%039%0.394CS..Hα-helixtrans-61.4-25.8178.7-23.536.4000114.7L941 R945 Y946 L947 W996 R997L941-P943 VanDerWaalsContact C-CD 3.46Å; L941-P943 VanDerWaalsContact O-N 3.16Å; P943-R945 VanDerWaalsContact C-N 3.35Å; P943-Y946 WeakPolarHBondContact O-CB 3.48Å; P943-Y946 PolarHBondContact O-N 3.23Å; P943-L947 PolarHBondContact O-N 2.87Å; P943-W996 HydrophobicContact CB-CD2 4.15Å; P943-W996 HydrophobicContact CB-CE3 3.91Å; P943-W996 HydrophobicContact CB-CG 4.48Å; P943-W996 HydrophobicContact CB-CZ3 4.46Å; P943-W996 HydrophobicContact CG-CB 4.4Å; P943-W996 HydrophobicContact CG-CD2 3.68Å; P943-W996 HydrophobicContact CG-CE3 3.92Å; P943-W996 HydrophobicContact CG-CG 3.91Å; P943-W996 HydrophobicContact CG-CZ3 4.46Å; P943-R997 HydrophobicContact CB-CB 4.08Å; P943-R997 HydrophobicContact CG-CB 4.26Å
944D89.2Confident72.6Confident22 Ų2273 Ų7312%0.11836%0.363CS..Hα-helixtrans-72-32.8-176.3-54.9-20.8000111.4I940 L941 P942 Y946 L947 A948 R997I940-D944 HydrophobicContact CG2-CB 3.82Å; L941-D944 WeakPolarHBondContact CB-OD2 3.23Å; L941-D944 PolarHBondContact N-OD2 3.3Å; L941-D944 WeakPolarHBondContact O-CB 3.46Å; L941-D944 PolarHBondContact O-N 3.46Å; P942-D944 PolarHBondContact O-N 3.01Å; D944-Y946 PolarHBondContact O-N 2.93Å; D944-L947 WeakPolarHBondContact O-CB 3.29Å; D944-L947 PolarHBondContact O-N 3.01Å; D944-A948 PolarHBondContact O-N 2.86Å; D944-R997 IonicContact OD1-CZ 2.92Å; D944-R997 IonicContact OD1-NE 2.83Å; D944-R997 IonicContact OD1-NH1 3.84Å; D944-R997 PolarHBondContact OD1-NH1 2.85Å; D944-R997 IonicContact OD2-CZ 3.86Å; D944-R997 IonicContact OD2-NH1 3.29Å; D944-R997 PolarHBondContact OD2-NH1 2.65Å
945R85.4Confident75.3Confident119 Ų11972.2 Ų72.245%0.44935%0.347SS..Hα-helixtrans-60.6-34.5172.1-67.6-172.6-97.2176.1-10.8111.8I940 P942 P943 I1198I940-R945 HydrophobicContact CG2-CG 3.75Å; P942-R945 PolarHBondContact O-N 2.82Å; P943-R945 VanDerWaalsContact C-N 3.35Å; R945-I1198 HydrophobicContact CB-CD1 3.8Å
946Y87.6Confident77.8Confident19 Ų1972.6 Ų72.68%0.07535%0.348CS..Hα-helixtrans-78-36.1174.7-58.2-93.5000112.1P942 P943 D944 A948 Q949 A950 M993 W996 I1020 L1197 I1198P942-Y946 WeakPolarHBondContact O-CD2 3.47Å; P942-Y946 VanDerWaalsContact O-CE2 3.22Å; P942-Y946 WeakPolarHBondContact O-CE2 3.3Å; P943-Y946 WeakPolarHBondContact O-CB 3.48Å; P943-Y946 PolarHBondContact O-N 3.23Å; D944-Y946 PolarHBondContact O-N 2.93Å; Y946-A948 VanDerWaalsContact C-N 3.31Å; Y946-A948 PolarHBondContact O-N 2.82Å; Y946-Q949 CarbonylContact O-C 3.5Å; Y946-Q949 PolarHBondContact O-N 3.24Å; Y946-Q949 VanDerWaalsContact O-N 3.11Å; Y946-A950 PolarHBondContact O-N 3.44Å; Y946-M993 HydrophobicContact CG-SD 4.24Å; Y946-W996 HydrophobicContact CD2-CE3 4.47Å; Y946-W996 AromaticContact CD2-CH2 3.89Å; Y946-W996 HydrophobicContact CD2-CH2 3.89Å; Y946-W996 AromaticContact CD2-CZ3 3.42Å; Y946-W996 HydrophobicContact CD2-CZ3 3.42Å; Y946-W996 VanDerWaalsContact CD2-CZ3 3.42Å; Y946-W996 AromaticContact CE2-CH2 3.49Å; Y946-W996 HydrophobicContact CE2-CH2 3.49Å; Y946-W996 VanDerWaalsContact CE2-CH2 3.49Å; Y946-W996 AromaticContact CE2-CZ3 3.54Å; Y946-W996 HydrophobicContact CE2-CZ3 3.54Å; Y946-W996 AromaticContact CG-CZ3 3.99Å; Y946-W996 HydrophobicContact CG-CZ3 3.99Å; Y946-I1020 HydrophobicContact CD1-CD1 3.84Å; Y946-I1020 HydrophobicContact CE1-CD1 3.32Å; Y946-I1020 HydrophobicContact CE1-CG1 4.41Å; Y946-L1197 HydrophobicContact CE1-CB 4.2Å; Y946-L1197 WeakPolarHBondContact CE1-O 3.47Å; Y946-I1198 HydrophobicContact CD1-CG2 3.5Å; Y946-I1198 VanDerWaalsContact CD1-CG2 3.5Å; Y946-I1198 HydrophobicContact CE1-CG2 3.49Å; Y946-I1198 VanDerWaalsContact CE1-CG2 3.49Å; Y946-I1198 HydrophobicContact CG-CG2 4.34Å
947L87.4Confident80.5Confident20 Ų2069.8 Ų69.811%0.10535%0.349CS..Hα-helixtrans-58.2-42.3173.3-77.4171.4000111.8P943 D944 Q949 A950 K990 M993P943-L947 PolarHBondContact O-N 2.87Å; D944-L947 WeakPolarHBondContact O-CB 3.29Å; D944-L947 PolarHBondContact O-N 3.01Å; L947-Q949 VanDerWaalsContact C-N 3.26Å; L947-Q949 PolarHBondContact O-N 3.1Å; L947-A950 VanDerWaalsContact O-CB 3.26Å; L947-A950 WeakPolarHBondContact O-CB 3.46Å; L947-A950 PolarHBondContact O-N 3.07Å; L947-K990 HydrophobicContact CD2-CG 4.11Å; L947-M993 HydrophobicContact CD2-CB 3.6Å; L947-M993 HydrophobicContact CD2-CG 4.2Å; L947-M993 HydrophobicContact CG-CB 3.77Å; L947-M993 HydrophobicContact CG-CG 4.34Å
948A80.1Confident83Confident79 Ų7968.3 Ų68.365%0.65335%0.347SS*.Hα-helixtrans-61.4-32.7175.200000113.2D944 Y946D944-A948 PolarHBondContact O-N 2.86Å; Y946-A948 VanDerWaalsContact C-N 3.31Å; Y946-A948 PolarHBondContact O-N 2.82Å
949Q79.5Confident85.4Confident67 Ų6761.8 Ų61.831%0.31332%0.319SS..Hα-helixtrans-92.3-1.9177.1-63.9-159.89.900114.4Y946 L947 R951 N952Y946-Q949 CarbonylContact O-C 3.5Å; Y946-Q949 PolarHBondContact O-N 3.24Å; Y946-Q949 VanDerWaalsContact O-N 3.11Å; L947-Q949 VanDerWaalsContact C-N 3.26Å; L947-Q949 PolarHBondContact O-N 3.1Å; Q949-R951 PolarHBondContact O-N 3.37Å; Q949-N952 WeakPolarHBondContact O-CB 3.36Å; Q949-N952 PolarHBondContact O-N 3.15Å
950A84.9Confident87Confident0 Ų064.5 Ų64.50%033%0.33CS..G310 helixtrans-57.5-23.1-170.900000114.2Y946 L947 N952 H986 F989 K990Y946-A950 PolarHBondContact O-N 3.44Å; L947-A950 VanDerWaalsContact O-CB 3.26Å; L947-A950 WeakPolarHBondContact O-CB 3.46Å; L947-A950 PolarHBondContact O-N 3.07Å; A950-N952 VanDerWaalsContact C-N 3.29Å; A950-N952 PolarHBondContact O-N 3.34Å; A950-H986 PolarHBondContact O-ND1 3.2Å; A950-F989 HydrophobicContact CB-CD1 3.58Å; A950-F989 HydrophobicContact CB-CE1 3.95Å; A950-K990 HydrophobicContact CB-CG 4.49Å
951R83.4Confident87.8Confident167 Ų16769.1 Ų69.163%0.6335%0.347SS*.G310 helixtrans-70.3-21.3175.273.6-177.5-176.4177.8-1.9114Q949 H986Q949-R951 PolarHBondContact O-N 3.37Å; R951-H986 PolarHBondContact N-ND1 3.37Å
952N84.4Confident88.3Confident100 Ų10067.4 Ų67.454%0.53534%0.338SS..G310 helixtrans-86-13179.8-59.3-3.1000112.6Q949 A950Q949-N952 WeakPolarHBondContact O-CB 3.36Å; Q949-N952 PolarHBondContact O-N 3.15Å; A950-N952 VanDerWaalsContact C-N 3.29Å; A950-N952 PolarHBondContact O-N 3.34Å
953I87.9Confident88.9Confident35 Ų3569.4 Ų69.418%0.17935%0.347CS..THydrogen-bonded Turntrans-70.7-46.3-175.2-61.2-66.4000110.9F989 R1129I953-F989 HydrophobicContact CB-CD2 4.21Å; I953-F989 HydrophobicContact CB-CG 4.29Å; I953-F989 HydrophobicContact CD1-CD2 4.04Å; I953-F989 HydrophobicContact CD1-CE1 4.36Å; I953-F989 HydrophobicContact CD1-CE2 3.58Å; I953-F989 HydrophobicContact CD1-CZ 3.76Å; I953-F989 HydrophobicContact CG1-CD1 3.97Å; I953-F989 HydrophobicContact CG1-CD2 3.71Å; I953-F989 HydrophobicContact CG1-CE1 3.94Å; I953-F989 HydrophobicContact CG1-CE2 3.71Å; I953-F989 HydrophobicContact CG1-CG 3.86Å; I953-F989 HydrophobicContact CG1-CZ 3.82Å; I953-F989 HydrophobicContact CG2-CB 4.28Å; I953-F989 HydrophobicContact CG2-CD2 3.71Å; I953-F989 HydrophobicContact CG2-CE2 4.31Å; I953-F989 HydrophobicContact CG2-CG 4.11Å; I953-R1129 PolarHBondContact O-NH1 2.96Å; I953-R1129 VanDerWaalsContact O-NH1 3.16Å; I953-R1129 PolarHBondContact O-NH2 3.29Å
954E92.9Very high89.1Confident33 Ų3372.7 Ų72.715%0.15437%0.369CS..SBendtrans-81.4128.6177.2-168.2-176.8149.800110.4T956 R980 Q983 T985 H986E954-T956 HydrophobicContact CB-CG2 4.36Å; E954-T956 HydrophobicContact CG-CG2 4.24Å; E954-T956 PolarHBondContact O-N 2.94Å; E954-R980 IonicContact OE1-CZ 2.71Å; E954-R980 IonicContact OE1-NH2 2.66Å; E954-R980 PolarHBondContact OE1-NH2 3.02Å; E954-Q983 HydrophobicContact CG-CG 4.23Å; E954-T985 VanDerWaalsContact OE2-CA 3.31Å; E954-T985 WeakPolarHBondContact OE2-CA 3.45Å; E954-H986 PolarHBondContact OE2-N 3.34Å; E954-H986 VanDerWaalsContact OE2-N 3.13Å
955V92.1Very high89.2Confident41 Ų4179.9 Ų79.925%0.24840%0.404CS..  trans-80.2103172.3-167.10000108.3W976 F979 R980 Q983 R1129V955-W976 HydrophobicContact CB-CH2 4.41Å; V955-W976 HydrophobicContact CG1-CH2 3.69Å; V955-W976 HydrophobicContact CG1-CZ2 4.47Å; V955-F979 HydrophobicContact CB-CE1 4.06Å; V955-F979 HydrophobicContact CB-CZ 4.18Å; V955-F979 HydrophobicContact CG2-CE1 4.2Å; V955-F979 HydrophobicContact CG2-CZ 3.87Å; V955-R980 WeakPolarHBondContact O-CD 3.22Å; V955-R980 PolarHBondContact O-NE 3.46Å; V955-R980 PolarHBondContact O-NH1 3.43Å; V955-Q983 PolarHBondContact O-NE2 3.02Å; V955-R1129 VanDerWaalsContact CG2-NH1 3.26Å
956T91.4Very high89.6Confident87 Ų8776.2 Ų76.253%0.53440%0.396SS..  trans-92.9-28.1-175.153.20000114E954 R980E954-T956 HydrophobicContact CB-CG2 4.36Å; E954-T956 HydrophobicContact CG-CG2 4.24Å; E954-T956 PolarHBondContact O-N 2.94Å; T956-R980 PolarHBondContact O-NH1 3.33Å
957V92Very high90.1Very high109 Ų10982.1 Ų82.166%0.66142%0.423SS*.SBendtrans-91.9137.8-177.7-178.90000110.9W976V957-W976 WeakPolarHBondContact O-CH2 3.48Å; V957-W976 VanDerWaalsContact O-CZ2 3.26Å; V957-W976 WeakPolarHBondContact O-CZ2 3.31Å
958Q93Very high90.5Very high116 Ų11683.1 Ų83.154%0.54243%0.425SS..PPolyproline II helixtrans-77.5129.4170.9-178.6174.8-53.400110.4L962 W976Q958-L962 HydrophobicContact CG-CB 4.44Å; Q958-L962 HydrophobicContact CG-CD2 3.73Å; Q958-W976 HydrophobicContact CB-CZ2 4.45Å
959P94Very high91.3Very high23 Ų2380.3 Ų80.315%0.14940%0.399CS..PPolyproline II helixtrans-70.7135.8177.625.2-29.5000110.8K961 L962 W976 W1126P959-K961 PolarHBondContact O-N 3.28Å; P959-L962 HydrophobicContact CG-CB 4.29Å; P959-L962 VanDerWaalsContact O-CB 3.25Å; P959-L962 WeakPolarHBondContact O-CB 3.5Å; P959-L962 PolarHBondContact O-N 2.92Å; P959-W976 VanDerWaalsContact CD-CZ2 3.5Å; P959-W976 HydrophobicContact CG-CE3 4.3Å; P959-W976 HydrophobicContact CG-CH2 4.15Å; P959-W976 HydrophobicContact CG-CZ3 3.97Å; P959-W1126 HydrophobicContact CB-CD2 3.86Å; P959-W1126 HydrophobicContact CB-CE3 4Å; P959-W1126 HydrophobicContact CB-CG 4.32Å; P959-W1126 HydrophobicContact CB-CH2 4.44Å; P959-W1126 HydrophobicContact CB-CZ2 4.34Å; P959-W1126 HydrophobicContact CB-CZ3 4.27Å; P959-W1126 HydrophobicContact CG-CD2 3.82Å; P959-W1126 HydrophobicContact CG-CE3 3.4Å; P959-W1126 VanDerWaalsContact CG-CE3 3.4Å; P959-W1126 HydrophobicContact CG-CH2 3.89Å; P959-W1126 HydrophobicContact CG-CZ2 4.27Å; P959-W1126 HydrophobicContact CG-CZ3 3.43Å; P959-W1126 VanDerWaalsContact CG-CZ3 3.43Å
960E92.2Very high92.2Very high190 Ų19082 Ų8289%0.88841%0.411SS*.G310 helixtrans-55.1-38.5-179.9-60.8171.6167.200111.9L962E960-L962 PolarHBondContact O-N 3.48Å
961K90.9Very high92.8Very high162 Ų16282.1 Ų82.170%0.70441%0.411SS*.G310 helixtrans-80.618.8179.8-57.7-175.4179.8-177.70114.3P959 W1126P959-K961 PolarHBondContact O-N 3.28Å; K961-W1126 HydrophobicContact CB-CZ2 4.17Å
962L95Very high93.5Very high4 Ų474.1 Ų74.12%0.02138%0.381CS..G310 helixtrans-71.9-34176.8-178.261.4000113Q958 P959 E960 W976 W1126 L1212Q958-L962 HydrophobicContact CG-CB 4.44Å; Q958-L962 HydrophobicContact CG-CD2 3.73Å; P959-L962 HydrophobicContact CG-CB 4.29Å; P959-L962 VanDerWaalsContact O-CB 3.25Å; P959-L962 WeakPolarHBondContact O-CB 3.5Å; P959-L962 PolarHBondContact O-N 2.92Å; E960-L962 PolarHBondContact O-N 3.48Å; L962-W976 HydrophobicContact CD1-CB 3.79Å; L962-W976 HydrophobicContact CD1-CG 4.22Å; L962-W976 HydrophobicContact CD2-CB 3.66Å; L962-W976 HydrophobicContact CD2-CD2 4.17Å; L962-W976 HydrophobicContact CD2-CG 3.51Å; L962-W976 HydrophobicContact CG-CB 4.39Å; L962-W1126 HydrophobicContact CD1-CH2 4.16Å; L962-W1126 HydrophobicContact CD1-CZ3 4.25Å; L962-L1212 HydrophobicContact CD1-CD1 3.89Å
963I95.2Very high94.2Very high64 Ų6470.8 Ų70.833%0.32837%0.367SS..  trans-124.4126.2-174.8-53.7-60.5000106.3M965 D969 A973I963-M965 HydrophobicContact CG2-CE 3.95Å; I963-D969 HydrophobicContact CD1-CB 4.11Å; I963-D969 HydrophobicContact CG2-CB 4.06Å; I963-D969 VanDerWaalsContact CG2-OD2 3.28Å; I963-D969 WeakPolarHBondContact CG2-OD2 3.23Å; I963-A973 HydrophobicContact CD1-CB 4.13Å
964C91.8Very high94.7Very high70 Ų7072.2 Ų72.247%0.47337%0.373SS..  trans-133.724.7-174.472.80000114.1C966 D969 T1211C964-C966 VanDerWaalsContact C-N 3.34Å; C964-D969 PolarHBondContact N-OD1 3.5Å; C964-D969 PolarHBondContact N-OD2 3.31Å; C964-T1211 WeakPolarHBondContact SG-CG2 3.34Å
965M92Very high94.9Very high173 Ų17370.6 Ų70.685%0.85237%0.365SS*.SBendtrans59.540.8-175.9-55.6-59.913400112.8I963 D969I963-M965 HydrophobicContact CG2-CE 3.95Å; M965-D969 WeakPolarHBondContact CA-OD2 3.19Å; M965-D969 PolarHBondContact N-OD2 2.84Å
966C94.3Very high95.2Very high41 Ų4169.4 Ų69.428%0.27736%0.357SS..SBendtrans-120.1162.9179.3870000112.8C964 Y968 D969C964-C966 VanDerWaalsContact C-N 3.34Å; C966-Y968 PolarHBondContact O-N 3.31Å; C966-Y968 PolarHBondContact SG-N 2.87Å; C966-D969 PolarHBondContact N-OD1 3.21Å; C966-D969 PolarHBondContact N-OD2 3.21Å; C966-D969 WeakPolarHBondContact O-CB 3.43Å; C966-D969 VanDerWaalsContact O-CG 3.22Å; C966-D969 PolarHBondContact O-N 3.08Å; C966-D969 PolarHBondContact SG-OD1 3.14Å
967K96.8Very high95.5Very high144 Ų14471.2 Ų71.263%0.62636%0.357SS*.THydrogen-bonded Turntrans-60.4-14.7179.170176.7-171.7172.60114.8L1301K967-L1301 HydrophobicContact CB-CD1 4.15Å; K967-L1301 HydrophobicContact CD-CD1 4.04Å; K967-L1301 HydrophobicContact CG-CD1 3.97Å; K967-L1301 WeakPolarHBondContact O-CD1 3.43Å
968Y97.6Very high95.7Very high41 Ų4170.6 Ų70.616%0.16134%0.343CS..THydrogen-bonded Turntrans-96.91.8179.7-52-80.9000113.6C966 N970 L971 S972 T1211 E1214 L1217 L1301C966-Y968 PolarHBondContact O-N 3.31Å; C966-Y968 PolarHBondContact SG-N 2.87Å; Y968-N970 PolarHBondContact O-N 3.28Å; Y968-L971 PolarHBondContact O-N 2.8Å; Y968-S972 WeakPolarHBondContact O-CB 3.44Å; Y968-S972 PolarHBondContact O-N 3.12Å; Y968-S972 PolarHBondContact O-OG 3.29Å; Y968-T1211 WeakPolarHBondContact CB-OG1 3.18Å; Y968-E1214 HydrophobicContact CD1-CG 4.13Å; Y968-E1214 HydrophobicContact CD2-CG 3.31Å; Y968-E1214 HydrophobicContact CE1-CG 4.18Å; Y968-E1214 HydrophobicContact CE2-CG 3.32Å; Y968-E1214 HydrophobicContact CG-CG 3.71Å; Y968-L1217 HydrophobicContact CE1-CD2 3.81Å; Y968-L1301 HydrophobicContact CD1-CD1 4.33Å; Y968-L1301 HydrophobicContact CD1-CD2 3.74Å; Y968-L1301 HydrophobicContact CE1-CD1 4.45Å; Y968-L1301 HydrophobicContact CE1-CD2 3.66Å
969D97Very high95.9Very high19 Ų1965.1 Ų65.110%0.10232%0.317CS..Hα-helixtrans-62.6-44.6-176.1-75.4-5.1000112.3I963 C964 M965 C966 L971 S972 A973I963-D969 HydrophobicContact CD1-CB 4.11Å; I963-D969 HydrophobicContact CG2-CB 4.06Å; I963-D969 VanDerWaalsContact CG2-OD2 3.28Å; I963-D969 WeakPolarHBondContact CG2-OD2 3.23Å; C964-D969 PolarHBondContact N-OD1 3.5Å; C964-D969 PolarHBondContact N-OD2 3.31Å; M965-D969 WeakPolarHBondContact CA-OD2 3.19Å; M965-D969 PolarHBondContact N-OD2 2.84Å; C966-D969 PolarHBondContact N-OD1 3.21Å; C966-D969 PolarHBondContact N-OD2 3.21Å; C966-D969 WeakPolarHBondContact O-CB 3.43Å; C966-D969 VanDerWaalsContact O-CG 3.22Å; C966-D969 PolarHBondContact O-N 3.08Å; C966-D969 PolarHBondContact SG-OD1 3.14Å; D969-L971 VanDerWaalsContact C-N 3.35Å; D969-L971 PolarHBondContact O-N 2.91Å; D969-S972 WeakPolarHBondContact O-CB 3.4Å; D969-S972 PolarHBondContact O-N 3.46Å; D969-A973 WeakPolarHBondContact O-CB 3.42Å; D969-A973 PolarHBondContact O-N 3.41Å
970N97.1Very high96.1Very high104 Ų10467.8 Ų67.856%0.55632%0.324SS*.Hα-helixtrans-62-41.6176.8-178.165.7000112.1Y968 S972 A973 E974Y968-N970 PolarHBondContact O-N 3.28Å; N970-S972 VanDerWaalsContact C-N 3.34Å; N970-A973 PolarHBondContact O-N 3.4Å; N970-E974 PolarHBondContact O-N 2.92Å
971L98.2Very high96.2Very high1 Ų162.3 Ų62.31%0.00532%0.319CS..Hα-helixtrans-62.5-43.3174.517953.6000111Y968 D969 E974 I975 L1297 L1301 L1303Y968-L971 PolarHBondContact O-N 2.8Å; D969-L971 VanDerWaalsContact C-N 3.35Å; D969-L971 PolarHBondContact O-N 2.91Å; L971-E974 PolarHBondContact O-N 2.97Å; L971-I975 HydrophobicContact CD1-CD1 4.04Å; L971-I975 HydrophobicContact CD1-CG1 4.25Å; L971-I975 HydrophobicContact CG-CD1 3.94Å; L971-I975 WeakPolarHBondContact O-CD1 3.15Å; L971-I975 WeakPolarHBondContact O-CG1 3.47Å; L971-I975 PolarHBondContact O-N 3.46Å; L971-L1297 HydrophobicContact CD1-CD1 3.8Å; L971-L1297 HydrophobicContact CD2-CD1 3.78Å; L971-L1297 HydrophobicContact CD2-CD2 4.2Å; L971-L1297 HydrophobicContact CD2-CG 4.06Å; L971-L1297 HydrophobicContact CG-CD1 4.47Å; L971-L1301 WeakPolarHBondContact CB-O 3.39Å; L971-L1303 HydrophobicContact CD1-CB 3.82Å; L971-L1303 HydrophobicContact CD1-CD1 4.1Å
972S98.5Very high96.5Very high0 Ų055.6 Ų55.60%029%0.294CS..Hα-helixtrans-63.9-41.6177.9-57.80000111.8Y968 D969 N970 I975 W976 T1211 G1213Y968-S972 WeakPolarHBondContact O-CB 3.44Å; Y968-S972 PolarHBondContact O-N 3.12Å; Y968-S972 PolarHBondContact O-OG 3.29Å; D969-S972 WeakPolarHBondContact O-CB 3.4Å; D969-S972 PolarHBondContact O-N 3.46Å; N970-S972 VanDerWaalsContact C-N 3.34Å; S972-I975 PolarHBondContact O-N 2.54Å; S972-W976 WeakPolarHBondContact O-CB 3.49Å; S972-W976 PolarHBondContact O-N 3.29Å; S972-T1211 WeakPolarHBondContact OG-CB 3.47Å; S972-G1213 PolarHBondContact OG-N 3.06Å
973A98Very high96.5Very high30 Ų3055.6 Ų55.625%0.24829%0.293CS..Hα-helixtrans-61.3-47.1174.700000112.3I963 D969 N970 W976 K977I963-A973 HydrophobicContact CD1-CB 4.13Å; D969-A973 WeakPolarHBondContact O-CB 3.42Å; D969-A973 PolarHBondContact O-N 3.41Å; N970-A973 PolarHBondContact O-N 3.4Å; A973-W976 PolarHBondContact O-N 2.86Å; A973-K977 WeakPolarHBondContact O-CB 3.34Å; A973-K977 PolarHBondContact O-N 3.01Å
974E98Very high96.5Very high64 Ų6452.7 Ų52.730%0.29928%0.279SS..Hα-helixtrans-68.4-35177.6-72-60.6121.500112.5N970 L971 K977 R978 L1303N970-E974 PolarHBondContact O-N 2.92Å; L971-E974 PolarHBondContact O-N 2.97Å; E974-K977 WeakPolarHBondContact OE1-CD 3.32Å; E974-K977 WeakPolarHBondContact OE1-CE 3.29Å; E974-K977 IonicContact OE1-NZ 3.64Å; E974-K977 PolarHBondContact OE1-NZ 3.01Å; E974-K977 WeakPolarHBondContact OE2-CD 3.44Å; E974-K977 IonicContact OE2-NZ 2.67Å; E974-K977 PolarHBondContact OE2-NZ 3.32Å; E974-R978 VanDerWaalsContact O-CB 3.25Å; E974-R978 WeakPolarHBondContact O-CB 3.37Å; E974-R978 PolarHBondContact O-N 3.4Å; E974-L1303 VanDerWaalsContact C-CD2 3.5Å; E974-L1303 HydrophobicContact CB-CB 4.07Å; E974-L1303 HydrophobicContact CB-CD2 3.85Å; E974-L1303 WeakPolarHBondContact O-CD2 3.48Å
975I98.4Very high96.7Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-60.8-48.3171.5-68.6162.3000109.7L971 S972 R978 F979 P1130 I1134 L1212 L1216 L1303L971-I975 HydrophobicContact CD1-CD1 4.04Å; L971-I975 HydrophobicContact CD1-CG1 4.25Å; L971-I975 HydrophobicContact CG-CD1 3.94Å; L971-I975 WeakPolarHBondContact O-CD1 3.15Å; L971-I975 WeakPolarHBondContact O-CG1 3.47Å; L971-I975 PolarHBondContact O-N 3.46Å; S972-I975 PolarHBondContact O-N 2.54Å; I975-R978 PolarHBondContact O-N 3.07Å; I975-F979 WeakPolarHBondContact O-CB 3.48Å; I975-F979 PolarHBondContact O-N 2.93Å; I975-P1130 HydrophobicContact CG2-CB 4.31Å; I975-I1134 HydrophobicContact CG1-CG1 4.48Å; I975-I1134 HydrophobicContact CG2-CB 4.19Å; I975-I1134 HydrophobicContact CG2-CG1 4.49Å; I975-I1134 HydrophobicContact CG2-CG2 3.95Å; I975-L1212 HydrophobicContact CD1-CB 4.14Å; I975-L1212 HydrophobicContact CG2-CB 4.35Å; I975-L1212 HydrophobicContact CG2-CD1 3.99Å; I975-L1216 HydrophobicContact CD1-CB 3.94Å; I975-L1216 HydrophobicContact CD1-CD2 3.6Å; I975-L1216 HydrophobicContact CD1-CG 4.42Å; I975-L1216 HydrophobicContact CG1-CD2 3.93Å; I975-L1303 HydrophobicContact CG1-CD1 3.95Å; I975-L1303 HydrophobicContact CG1-CD2 4.12Å
976W98Very high96.8Very high16 Ų1645.1 Ų45.16%0.06124%0.237CC..Hα-helixtrans-62.2-48.9-179.6177.5-104.2000112.7V955 V957 Q958 P959 L962 S972 A973 R978 F979 R980 W1126 P1130V955-W976 HydrophobicContact CB-CH2 4.41Å; V955-W976 HydrophobicContact CG1-CH2 3.69Å; V955-W976 HydrophobicContact CG1-CZ2 4.47Å; V957-W976 WeakPolarHBondContact O-CH2 3.48Å; V957-W976 VanDerWaalsContact O-CZ2 3.26Å; V957-W976 WeakPolarHBondContact O-CZ2 3.31Å; Q958-W976 HydrophobicContact CB-CZ2 4.45Å; P959-W976 VanDerWaalsContact CD-CZ2 3.5Å; P959-W976 HydrophobicContact CG-CE3 4.3Å; P959-W976 HydrophobicContact CG-CH2 4.15Å; P959-W976 HydrophobicContact CG-CZ3 3.97Å; L962-W976 HydrophobicContact CD1-CB 3.79Å; L962-W976 HydrophobicContact CD1-CG 4.22Å; L962-W976 HydrophobicContact CD2-CB 3.66Å; L962-W976 HydrophobicContact CD2-CD2 4.17Å; L962-W976 HydrophobicContact CD2-CG 3.51Å; L962-W976 HydrophobicContact CG-CB 4.39Å; S972-W976 WeakPolarHBondContact O-CB 3.49Å; S972-W976 PolarHBondContact O-N 3.29Å; A973-W976 PolarHBondContact O-N 2.86Å; W976-R978 VanDerWaalsContact C-N 3.34Å; W976-R978 PolarHBondContact O-N 2.78Å; W976-F979 HydrophobicContact CD2-CD1 4.49Å; W976-F979 AromaticContact CE3-CD1 3.95Å; W976-F979 HydrophobicContact CE3-CD1 3.95Å; W976-F979 HydrophobicContact CE3-CE1 4.34Å; W976-F979 HydrophobicContact CH2-CD1 4.38Å; W976-F979 HydrophobicContact CH2-CE1 4.06Å; W976-F979 AromaticContact CZ3-CD1 3.9Å; W976-F979 HydrophobicContact CZ3-CD1 3.9Å; W976-F979 AromaticContact CZ3-CE1 3.81Å; W976-F979 HydrophobicContact CZ3-CE1 3.81Å; W976-F979 WeakPolarHBondContact O-CB 3.39Å; W976-F979 PolarHBondContact O-N 3.43Å; W976-R980 HydrophobicContact CD2-CG 4.45Å; W976-R980 HydrophobicContact CZ2-CG 4.08Å; W976-R980 WeakPolarHBondContact O-CB 3.21Å; W976-R980 WeakPolarHBondContact O-CG 3.39Å; W976-R980 PolarHBondContact O-N 3.06Å; W976-W1126 HydrophobicContact CZ3-CE3 4.48Å; W976-P1130 HydrophobicContact CE3-CG 3.89Å; W976-P1130 HydrophobicContact CZ3-CG 3.82Å
977K97.6Very high96.8Very high125 Ų12548.3 Ų48.354%0.54325%0.251SS..Hα-helixtrans-56.3-45.4175176.1-169.7175.9-164.20111.8A973 E974 R980 G981A973-K977 WeakPolarHBondContact O-CB 3.34Å; A973-K977 PolarHBondContact O-N 3.01Å; E974-K977 WeakPolarHBondContact OE1-CD 3.32Å; E974-K977 WeakPolarHBondContact OE1-CE 3.29Å; E974-K977 IonicContact OE1-NZ 3.64Å; E974-K977 PolarHBondContact OE1-NZ 3.01Å; E974-K977 WeakPolarHBondContact OE2-CD 3.44Å; E974-K977 IonicContact OE2-NZ 2.67Å; E974-K977 PolarHBondContact OE2-NZ 3.32Å; K977-R980 PolarHBondContact O-N 3.28Å; K977-G981 PolarHBondContact O-N 2.9Å; K977-G981 VanDerWaalsContact O-N 3.1Å
978R97.2Very high96.7Very high96 Ų9643.8 Ų43.836%0.36223%0.231SC..Hα-helixtrans-73.1-31.4178.8-170161.6-176.71670.7113.2E974 I975 W976 A982 I1134 L1137 L1303 F1307E974-R978 VanDerWaalsContact O-CB 3.25Å; E974-R978 WeakPolarHBondContact O-CB 3.37Å; E974-R978 PolarHBondContact O-N 3.4Å; I975-R978 PolarHBondContact O-N 3.07Å; W976-R978 VanDerWaalsContact C-N 3.34Å; W976-R978 PolarHBondContact O-N 2.78Å; R978-A982 VanDerWaalsContact O-CB 3.29Å; R978-A982 WeakPolarHBondContact O-CB 3.48Å; R978-A982 PolarHBondContact O-N 3.04Å; R978-I1134 HydrophobicContact CB-CD1 4.26Å; R978-I1134 HydrophobicContact CG-CD1 3.98Å; R978-L1137 HydrophobicContact CG-CD1 4.14Å; R978-L1303 HydrophobicContact CB-CD2 4.37Å; R978-F1307 VanDerWaalsContact NH2-CD1 3.29Å
979F97.3Very high96.6Very high1 Ų141.9 Ų41.90%0.00422%0.224CC..Hα-helixtrans-63.7-49.9167.7160.3-109.6000111.3V955 I975 W976 G981 A982 Q983 R1129 P1130 V1133V955-F979 HydrophobicContact CB-CE1 4.06Å; V955-F979 HydrophobicContact CB-CZ 4.18Å; V955-F979 HydrophobicContact CG2-CE1 4.2Å; V955-F979 HydrophobicContact CG2-CZ 3.87Å; I975-F979 WeakPolarHBondContact O-CB 3.48Å; I975-F979 PolarHBondContact O-N 2.93Å; W976-F979 HydrophobicContact CD2-CD1 4.49Å; W976-F979 AromaticContact CE3-CD1 3.95Å; W976-F979 HydrophobicContact CE3-CD1 3.95Å; W976-F979 HydrophobicContact CE3-CE1 4.34Å; W976-F979 HydrophobicContact CH2-CD1 4.38Å; W976-F979 HydrophobicContact CH2-CE1 4.06Å; W976-F979 AromaticContact CZ3-CD1 3.9Å; W976-F979 HydrophobicContact CZ3-CD1 3.9Å; W976-F979 AromaticContact CZ3-CE1 3.81Å; W976-F979 HydrophobicContact CZ3-CE1 3.81Å; W976-F979 WeakPolarHBondContact O-CB 3.39Å; W976-F979 PolarHBondContact O-N 3.43Å; F979-G981 VanDerWaalsContact C-N 3.29Å; F979-G981 PolarHBondContact O-N 3.2Å; F979-A982 PolarHBondContact O-N 3.43Å; F979-Q983 HydrophobicContact CD2-CB 4.17Å; F979-Q983 HydrophobicContact CE2-CB 3.76Å; F979-Q983 HydrophobicContact CZ-CB 4.19Å; F979-Q983 VanDerWaalsContact CZ-OE1 3.22Å; F979-Q983 PolarHBondContact O-N 2.58Å; F979-R1129 HydrophobicContact CE2-CB 4.16Å; F979-R1129 HydrophobicContact CZ-CB 4.16Å; F979-P1130 HydrophobicContact CB-CB 4Å; F979-P1130 HydrophobicContact CD1-CB 4.04Å; F979-P1130 HydrophobicContact CD1-CG 3.71Å; F979-P1130 HydrophobicContact CD2-CB 4.33Å; F979-P1130 HydrophobicContact CD2-CG 4.45Å; F979-P1130 HydrophobicContact CE1-CG 3.9Å; F979-P1130 HydrophobicContact CG-CB 3.85Å; F979-P1130 HydrophobicContact CG-CG 4Å; F979-P1130 HydrophobicContact CZ-CG 4.35Å; F979-V1133 HydrophobicContact CD2-CB 3.84Å; F979-V1133 HydrophobicContact CD2-CG1 4.09Å; F979-V1133 HydrophobicContact CD2-CG2 3.91Å; F979-V1133 HydrophobicContact CE2-CG2 4.09Å
980R96.3Very high96.5Very high78 Ų7843.1 Ų43.129%0.29423%0.228SC..Hα-helixtrans-57.2-39.1179.3-80.8-56.4-47.4-100.715.8113.2E954 V955 T956 W976 K977 A982E954-R980 IonicContact OE1-CZ 2.71Å; E954-R980 IonicContact OE1-NH2 2.66Å; E954-R980 PolarHBondContact OE1-NH2 3.02Å; V955-R980 WeakPolarHBondContact O-CD 3.22Å; V955-R980 PolarHBondContact O-NE 3.46Å; V955-R980 PolarHBondContact O-NH1 3.43Å; T956-R980 PolarHBondContact O-NH1 3.33Å; W976-R980 HydrophobicContact CD2-CG 4.45Å; W976-R980 HydrophobicContact CZ2-CG 4.08Å; W976-R980 WeakPolarHBondContact O-CB 3.21Å; W976-R980 WeakPolarHBondContact O-CG 3.39Å; W976-R980 PolarHBondContact O-N 3.06Å; K977-R980 PolarHBondContact O-N 3.28Å; R980-A982 VanDerWaalsContact C-N 3.31Å; R980-A982 PolarHBondContact O-N 3.15Å
981G95.8Very high96.4Very high75 Ų7540.6 Ų40.677%0.77322%0.215SC*.THydrogen-bonded Turntrans-79.7-1176.300000115.8K977 F979K977-G981 PolarHBondContact O-N 2.9Å; K977-G981 VanDerWaalsContact O-N 3.1Å; F979-G981 VanDerWaalsContact C-N 3.29Å; F979-G981 PolarHBondContact O-N 3.2Å
982A95.8Very high96.2Very high22 Ų2240.6 Ų40.618%0.18222%0.215CC..THydrogen-bonded Turntrans-130.1-19.7-175.500000115.1R978 F979 R980 T1025 V1133 L1137R978-A982 VanDerWaalsContact O-CB 3.29Å; R978-A982 WeakPolarHBondContact O-CB 3.48Å; R978-A982 PolarHBondContact O-N 3.04Å; F979-A982 PolarHBondContact O-N 3.43Å; R980-A982 VanDerWaalsContact C-N 3.31Å; R980-A982 PolarHBondContact O-N 3.15Å; A982-T1025 WeakPolarHBondContact O-CA 3.5Å; A982-T1025 WeakPolarHBondContact O-CB 3.4Å; A982-T1025 VanDerWaalsContact O-CG2 3.28Å; A982-T1025 WeakPolarHBondContact O-CG2 3.48Å; A982-V1133 HydrophobicContact CB-CG1 4.25Å; A982-L1137 HydrophobicContact CB-CD1 3.8Å
983Q96.4Very high96.1Very high3 Ų340.6 Ų40.61%0.01422%0.215CC..BIsolated β-bridgetrans-58160.1175.569.7178.2-19.900111.9E954 V955 F979 T985E954-Q983 HydrophobicContact CG-CG 4.23Å; V955-Q983 PolarHBondContact O-NE2 3.02Å; F979-Q983 HydrophobicContact CD2-CB 4.17Å; F979-Q983 HydrophobicContact CE2-CB 3.76Å; F979-Q983 HydrophobicContact CZ-CB 4.19Å; F979-Q983 VanDerWaalsContact CZ-OE1 3.22Å; F979-Q983 PolarHBondContact O-N 2.58Å; Q983-T985 PolarHBondContact O-N 3.2Å
984Q95.5Very high95.9Very high4 Ų444 Ų442%0.01922%0.221CC..PPolyproline II helixtrans-69.5124.8171.6-163.7175.8-62.100110.6K988 F989 G1024 D1026Q984-K988 HydrophobicContact CG-CB 4.12Å; Q984-K988 HydrophobicContact CG-CG 4.12Å; Q984-F989 VanDerWaalsContact NE2-CD2 3.35Å; Q984-G1024 PolarHBondContact N-O 3.09Å; Q984-D1026 VanDerWaalsContact CA-OD1 3.29Å; Q984-D1026 WeakPolarHBondContact CA-OD1 3.46Å
985T95.2Very high95.7Very high37 Ų3741.4 Ų41.423%0.22721%0.209CC..PPolyproline II helixtrans-77.3158.8-179.662.30000112E954 Q983 N987 K988 F989 D1026E954-T985 VanDerWaalsContact OE2-CA 3.31Å; E954-T985 WeakPolarHBondContact OE2-CA 3.45Å; Q983-T985 PolarHBondContact O-N 3.2Å; T985-N987 PolarHBondContact O-N 3.35Å; T985-K988 PolarHBondContact O-N 2.84Å; T985-K988 WeakPolarHBondContact OG1-CB 3.4Å; T985-K988 PolarHBondContact OG1-N 3.44Å; T985-K988 VanDerWaalsContact OG1-N 3.13Å; T985-F989 PolarHBondContact O-N 3.38Å; T985-D1026 PolarHBondContact N-OD1 2.85Å; T985-D1026 PolarHBondContact OG1-OD1 3.34Å; T985-D1026 VanDerWaalsContact OG1-OD1 3.06Å; T985-D1026 PolarHBondContact OG1-OD2 2.91Å
986H93.6Very high95.5Very high46 Ų4641.8 Ų41.821%0.21321%0.21CC..Hα-helixtrans-51.7-44.5170.6176.267.4000112.1A950 R951 E954 F989 K990A950-H986 PolarHBondContact O-ND1 3.2Å; R951-H986 PolarHBondContact N-ND1 3.37Å; E954-H986 PolarHBondContact OE2-N 3.34Å; E954-H986 VanDerWaalsContact OE2-N 3.13Å; H986-F989 PolarHBondContact O-N 2.96Å; H986-K990 WeakPolarHBondContact NE2-CD 3.39Å; H986-K990 WeakPolarHBondContact NE2-CE 3.37Å; H986-K990 PolarHBondContact NE2-NZ 2.95Å; H986-K990 PolarHBondContact O-N 3.05Å
987N94.2Very high95.3Very high108 Ų10842.9 Ų42.958%0.57822%0.215SC*.Hα-helixtrans-68.3-45.2-176.1-70-15.4000112T985 F989 K990 L991T985-N987 PolarHBondContact O-N 3.35Å; N987-F989 VanDerWaalsContact C-N 3.29Å; N987-F989 PolarHBondContact O-N 3.36Å; N987-K990 WeakPolarHBondContact O-CB 3.4Å; N987-K990 PolarHBondContact O-N 3.08Å; N987-L991 WeakPolarHBondContact O-CG 3.32Å; N987-L991 PolarHBondContact O-N 2.91Å
988K95.1Very high95.1Very high49 Ų4941.1 Ų41.121%0.21321%0.205CC..Hα-helixtrans-63.1-36.9174.6-173.368.763.2171.50111.8Q984 T985 L991 K992 D1026Q984-K988 HydrophobicContact CG-CB 4.12Å; Q984-K988 HydrophobicContact CG-CG 4.12Å; T985-K988 PolarHBondContact O-N 2.84Å; T985-K988 WeakPolarHBondContact OG1-CB 3.4Å; T985-K988 PolarHBondContact OG1-N 3.44Å; T985-K988 VanDerWaalsContact OG1-N 3.13Å; K988-L991 PolarHBondContact O-N 2.86Å; K988-K992 WeakPolarHBondContact O-CB 3.26Å; K988-K992 WeakPolarHBondContact O-CG 3.36Å; K988-K992 PolarHBondContact O-N 2.99Å; K988-D1026 VanDerWaalsContact CB-CG 3.49Å; K988-D1026 WeakPolarHBondContact CB-OD1 3.46Å; K988-D1026 WeakPolarHBondContact CE-O 3.43Å; K988-D1026 HydrophobicContact CG-CB 4.46Å; K988-D1026 WeakPolarHBondContact CG-OD1 3.49Å
989F95Very high94.8Very high2 Ų236.8 Ų36.81%0.00919%0.189CC..Hα-helixtrans-63.8-46.5173.8-169.7-86.9000111.7A950 I953 Q984 T985 H986 N987 L991 K992 M993 T1019A950-F989 HydrophobicContact CB-CD1 3.58Å; A950-F989 HydrophobicContact CB-CE1 3.95Å; I953-F989 HydrophobicContact CB-CD2 4.21Å; I953-F989 HydrophobicContact CB-CG 4.29Å; I953-F989 HydrophobicContact CD1-CD2 4.04Å; I953-F989 HydrophobicContact CD1-CE1 4.36Å; I953-F989 HydrophobicContact CD1-CE2 3.58Å; I953-F989 HydrophobicContact CD1-CZ 3.76Å; I953-F989 HydrophobicContact CG1-CD1 3.97Å; I953-F989 HydrophobicContact CG1-CD2 3.71Å; I953-F989 HydrophobicContact CG1-CE1 3.94Å; I953-F989 HydrophobicContact CG1-CE2 3.71Å; I953-F989 HydrophobicContact CG1-CG 3.86Å; I953-F989 HydrophobicContact CG1-CZ 3.82Å; I953-F989 HydrophobicContact CG2-CB 4.28Å; I953-F989 HydrophobicContact CG2-CD2 3.71Å; I953-F989 HydrophobicContact CG2-CE2 4.31Å; I953-F989 HydrophobicContact CG2-CG 4.11Å; Q984-F989 VanDerWaalsContact NE2-CD2 3.35Å; T985-F989 PolarHBondContact O-N 3.38Å; H986-F989 PolarHBondContact O-N 2.96Å; N987-F989 VanDerWaalsContact C-N 3.29Å; N987-F989 PolarHBondContact O-N 3.36Å; F989-L991 VanDerWaalsContact C-N 3.33Å; F989-L991 PolarHBondContact O-N 3.01Å; F989-K992 PolarHBondContact O-N 3.49Å; F989-M993 HydrophobicContact CD1-CE 4.27Å; F989-M993 HydrophobicContact CD1-CG 3.66Å; F989-M993 HydrophobicContact CD1-SD 4.38Å; F989-M993 HydrophobicContact CD2-CE 4.04Å; F989-M993 HydrophobicContact CE1-CE 3.99Å; F989-M993 HydrophobicContact CE1-CG 3.34Å; F989-M993 HydrophobicContact CE1-SD 3.69Å; F989-M993 HydrophobicContact CE2-CE 3.72Å; F989-M993 HydrophobicContact CE2-SD 4.27Å; F989-M993 HydrophobicContact CG-CE 4.31Å; F989-M993 HydrophobicContact CZ-CE 3.71Å; F989-M993 HydrophobicContact CZ-CG 3.95Å; F989-M993 HydrophobicContact CZ-SD 3.63Å; F989-M993 WeakPolarHBondContact O-CG 3.38Å; F989-M993 PolarHBondContact O-N 2.66Å; F989-T1019 HydrophobicContact CD2-CG2 4.5Å; F989-T1019 HydrophobicContact CE2-CG2 4.5Å
990K94.9Very high94.5Very high44 Ų4438.5 Ų38.519%0.19120%0.196CC..Hα-helixtrans-52.8-47172.5-92.5-177.1170.4171.10111.9D602 L947 A950 H986 N987 M993 R994D602-K990 IonicContact OD1-NZ 3.26Å; D602-K990 PolarHBondContact OD1-NZ 3.3Å; L947-K990 HydrophobicContact CD2-CG 4.11Å; A950-K990 HydrophobicContact CB-CG 4.49Å; H986-K990 WeakPolarHBondContact NE2-CD 3.39Å; H986-K990 WeakPolarHBondContact NE2-CE 3.37Å; H986-K990 PolarHBondContact NE2-NZ 2.95Å; H986-K990 PolarHBondContact O-N 3.05Å; N987-K990 WeakPolarHBondContact O-CB 3.4Å; N987-K990 PolarHBondContact O-N 3.08Å; K990-M993 PolarHBondContact O-N 3.39Å; K990-R994 VanDerWaalsContact O-CG 3.31Å; K990-R994 WeakPolarHBondContact O-CG 3.38Å; K990-R994 PolarHBondContact O-N 2.69Å
991L94.9Very high94.2Very high52 Ų5238 Ų3827%0.27220%0.199SC..Hα-helixtrans-62.2-46177.5-64.8178.8000112.2N987 K988 F989 M993 R994 L995 N1098 I1100N987-L991 WeakPolarHBondContact O-CG 3.32Å; N987-L991 PolarHBondContact O-N 2.91Å; K988-L991 PolarHBondContact O-N 2.86Å; F989-L991 VanDerWaalsContact C-N 3.33Å; F989-L991 PolarHBondContact O-N 3.01Å; L991-M993 VanDerWaalsContact C-N 3.35Å; L991-M993 PolarHBondContact O-N 3.02Å; L991-R994 PolarHBondContact O-N 3Å; L991-L995 PolarHBondContact O-N 2.84Å; L991-N1098 WeakPolarHBondContact CD2-OD1 3.42Å; L991-I1100 HydrophobicContact CB-CD1 4.39Å
992K95.4Very high93.8Very high1 Ų136 Ų360%0.00417%0.168CC..Hα-helixtrans-60.4-40.2175.8-77.6-173.8-179.7-174.50112.8K988 F989 L995 W996 T1019 S1028 D1029 I1030 I1100K988-K992 WeakPolarHBondContact O-CB 3.26Å; K988-K992 WeakPolarHBondContact O-CG 3.36Å; K988-K992 PolarHBondContact O-N 2.99Å; F989-K992 PolarHBondContact O-N 3.49Å; K992-L995 PolarHBondContact O-N 3.43Å; K992-W996 PolarHBondContact O-N 3.31Å; K992-T1019 HydrophobicContact CB-CG2 4.24Å; K992-T1019 HydrophobicContact CD-CG2 3.48Å; K992-T1019 VanDerWaalsContact CD-CG2 3.48Å; K992-T1019 WeakPolarHBondContact CD-OG1 3.34Å; K992-T1019 HydrophobicContact CG-CG2 4.49Å; K992-T1019 PolarHBondContact NZ-OG1 2.9Å; K992-S1028 VanDerWaalsContact CE-O 3.27Å; K992-S1028 WeakPolarHBondContact CE-O 3.44Å; K992-S1028 PolarHBondContact NZ-O 2.81Å; K992-D1029 PolarHBondContact NZ-O 3.32Å; K992-I1030 HydrophobicContact CB-CD1 3.76Å; K992-I1030 HydrophobicContact CD-CB 4.44Å; K992-I1030 HydrophobicContact CD-CD1 4.37Å; K992-I1030 HydrophobicContact CG-CD1 4.04Å; K992-I1030 WeakPolarHBondContact O-CD1 3.39Å; K992-I1100 HydrophobicContact CG-CD1 4Å
993M94.9Very high93.3Very high0 Ų035.4 Ų35.40%016%0.161CC..Hα-helixtrans-70.4-36.7176.2-63.3-44.99800112.1Y946 L947 F989 K990 L991 L995 W996 R997 L1015 T1019Y946-M993 HydrophobicContact CG-SD 4.24Å; L947-M993 HydrophobicContact CD2-CB 3.6Å; L947-M993 HydrophobicContact CD2-CG 4.2Å; L947-M993 HydrophobicContact CG-CB 3.77Å; L947-M993 HydrophobicContact CG-CG 4.34Å; F989-M993 HydrophobicContact CD1-CE 4.27Å; F989-M993 HydrophobicContact CD1-CG 3.66Å; F989-M993 HydrophobicContact CD1-SD 4.38Å; F989-M993 HydrophobicContact CD2-CE 4.04Å; F989-M993 HydrophobicContact CE1-CE 3.99Å; F989-M993 HydrophobicContact CE1-CG 3.34Å; F989-M993 HydrophobicContact CE1-SD 3.69Å; F989-M993 HydrophobicContact CE2-CE 3.72Å; F989-M993 HydrophobicContact CE2-SD 4.27Å; F989-M993 HydrophobicContact CG-CE 4.31Å; F989-M993 HydrophobicContact CZ-CE 3.71Å; F989-M993 HydrophobicContact CZ-CG 3.95Å; F989-M993 HydrophobicContact CZ-SD 3.63Å; F989-M993 WeakPolarHBondContact O-CG 3.38Å; F989-M993 PolarHBondContact O-N 2.66Å; K990-M993 PolarHBondContact O-N 3.39Å; L991-M993 VanDerWaalsContact C-N 3.35Å; L991-M993 PolarHBondContact O-N 3.02Å; M993-L995 VanDerWaalsContact C-N 3.34Å; M993-W996 PolarHBondContact O-N 3.05Å; M993-W996 HydrophobicContact SD-CE3 3.81Å; M993-W996 HydrophobicContact SD-CZ3 4.19Å; M993-R997 WeakPolarHBondContact O-CB 3.26Å; M993-R997 PolarHBondContact O-N 3.38Å; M993-L1015 HydrophobicContact CE-CD2 3.57Å; M993-L1015 HydrophobicContact SD-CD2 4.01Å; M993-T1019 HydrophobicContact CE-CG2 3.83Å
994R94.3Very high92.4Very high102 Ų10240.6 Ų40.639%0.38519%0.185SC..Hα-helixtrans-61.5-41.9172.9-74.7170.8175.9168.71.3111.4D602 K990 L991 R997 Y998D602-R994 IonicContact OD2-CZ 3.64Å; D602-R994 IonicContact OD2-NH1 2.73Å; D602-R994 IonicContact OD2-NH2 3.33Å; D602-R994 PolarHBondContact OD2-NH2 2.96Å; K990-R994 VanDerWaalsContact O-CG 3.31Å; K990-R994 WeakPolarHBondContact O-CG 3.38Å; K990-R994 PolarHBondContact O-N 2.69Å; L991-R994 PolarHBondContact O-N 3Å; R994-R997 PolarHBondContact O-N 3.48Å; R994-Y998 PolarHBondContact O-N 3.31Å
995L94.5Very high91.6Very high9 Ų943.5 Ų43.55%0.04720%0.199CC..Hα-helixtrans-65.1-42.2174.1177.257.2000112.5L991 K992 M993 Y998 L999 I1030 F1078 D1095 I1100 V1102L991-L995 PolarHBondContact O-N 2.84Å; K992-L995 PolarHBondContact O-N 3.43Å; M993-L995 VanDerWaalsContact C-N 3.34Å; L995-Y998 WeakPolarHBondContact O-CB 3.3Å; L995-Y998 PolarHBondContact O-N 3.48Å; L995-L999 HydrophobicContact CD1-CD1 4.49Å; L995-L999 PolarHBondContact O-N 2.96Å; L995-I1030 HydrophobicContact CD2-CG2 4.35Å; L995-F1078 HydrophobicContact CD1-CE1 3.78Å; L995-F1078 HydrophobicContact CD1-CZ 3.84Å; L995-D1095 HydrophobicContact CD1-CB 4.22Å; L995-D1095 HydrophobicContact CD2-CB 3.84Å; L995-I1100 HydrophobicContact CD2-CB 4.25Å; L995-I1100 HydrophobicContact CD2-CG2 4.2Å; L995-V1102 HydrophobicContact CD2-CG2 4.06Å
996W94.3Very high90.9Very high7 Ų746.8 Ų46.83%0.02722%0.221CC..Hα-helixtrans-64.6-39.9173.9-176.624.6000112P942 P943 Y946 K992 M993 Y998 L999 Y1000 I1013 L1015 M1032P942-W996 HydrophobicContact CB-CZ2 4.46Å; P943-W996 HydrophobicContact CB-CD2 4.15Å; P943-W996 HydrophobicContact CB-CE3 3.91Å; P943-W996 HydrophobicContact CB-CG 4.48Å; P943-W996 HydrophobicContact CB-CZ3 4.46Å; P943-W996 HydrophobicContact CG-CB 4.4Å; P943-W996 HydrophobicContact CG-CD2 3.68Å; P943-W996 HydrophobicContact CG-CE3 3.92Å; P943-W996 HydrophobicContact CG-CG 3.91Å; P943-W996 HydrophobicContact CG-CZ3 4.46Å; Y946-W996 HydrophobicContact CD2-CE3 4.47Å; Y946-W996 AromaticContact CD2-CH2 3.89Å; Y946-W996 HydrophobicContact CD2-CH2 3.89Å; Y946-W996 AromaticContact CD2-CZ3 3.42Å; Y946-W996 HydrophobicContact CD2-CZ3 3.42Å; Y946-W996 VanDerWaalsContact CD2-CZ3 3.42Å; Y946-W996 AromaticContact CE2-CH2 3.49Å; Y946-W996 HydrophobicContact CE2-CH2 3.49Å; Y946-W996 VanDerWaalsContact CE2-CH2 3.49Å; Y946-W996 AromaticContact CE2-CZ3 3.54Å; Y946-W996 HydrophobicContact CE2-CZ3 3.54Å; Y946-W996 AromaticContact CG-CZ3 3.99Å; Y946-W996 HydrophobicContact CG-CZ3 3.99Å; K992-W996 PolarHBondContact O-N 3.31Å; M993-W996 PolarHBondContact O-N 3.05Å; M993-W996 HydrophobicContact SD-CE3 3.81Å; M993-W996 HydrophobicContact SD-CZ3 4.19Å; W996-Y998 PolarHBondContact O-N 2.83Å; W996-L999 PolarHBondContact O-N 2.77Å; W996-Y1000 VanDerWaalsContact O-CB 3.26Å; W996-Y1000 WeakPolarHBondContact O-CB 3.29Å; W996-Y1000 PolarHBondContact O-N 2.95Å; W996-I1013 PolarHBondContact NE1-O 3.37Å; W996-L1015 HydrophobicContact CD2-CB 3.99Å; W996-L1015 HydrophobicContact CE3-CB 3.81Å; W996-L1015 HydrophobicContact CE3-CD2 3.8Å; W996-L1015 HydrophobicContact CE3-CG 4.36Å; W996-L1015 HydrophobicContact CH2-CB 3.69Å; W996-L1015 HydrophobicContact CZ2-CB 3.88Å; W996-L1015 HydrophobicContact CZ3-CB 3.64Å; W996-L1015 HydrophobicContact CZ3-CD2 3.78Å; W996-L1015 HydrophobicContact CZ3-CG 4.37Å; W996-M1032 HydrophobicContact CB-CE 3.93Å; W996-M1032 HydrophobicContact CG-CE 4.18Å
997R92.9Very high90.3Very high40 Ų4046.3 Ų46.315%0.15122%0.219CC..Hα-helixtrans-59.8-42172.3-176.5-179.4171.883.9-1112.1P943 D944 M993 R994 Y1000 L1001P943-R997 HydrophobicContact CB-CB 4.08Å; P943-R997 HydrophobicContact CG-CB 4.26Å; D944-R997 IonicContact OD1-CZ 2.92Å; D944-R997 IonicContact OD1-NE 2.83Å; D944-R997 IonicContact OD1-NH1 3.84Å; D944-R997 PolarHBondContact OD1-NH1 2.85Å; D944-R997 IonicContact OD2-CZ 3.86Å; D944-R997 IonicContact OD2-NH1 3.29Å; D944-R997 PolarHBondContact OD2-NH1 2.65Å; M993-R997 WeakPolarHBondContact O-CB 3.26Å; M993-R997 PolarHBondContact O-N 3.38Å; R994-R997 PolarHBondContact O-N 3.48Å; R997-Y1000 PolarHBondContact O-N 2.84Å; R997-L1001 HydrophobicContact CG-CD1 3.96Å; R997-L1001 HydrophobicContact CG-CG 4.5Å; R997-L1001 WeakPolarHBondContact O-CB 3.39Å; R997-L1001 WeakPolarHBondContact O-CG 3.42Å; R997-L1001 PolarHBondContact O-N 2.98Å
998Y92.9Very high89.9Confident88 Ų8841.2 Ų41.235%0.34519%0.192SC..Hα-helixtrans-59.6-52174176.4-88.5000111.5R994 L995 W996 Y1000 L1001 W1002 V1077 F1078R994-Y998 PolarHBondContact O-N 3.31Å; L995-Y998 WeakPolarHBondContact O-CB 3.3Å; L995-Y998 PolarHBondContact O-N 3.48Å; W996-Y998 PolarHBondContact O-N 2.83Å; Y998-Y1000 VanDerWaalsContact C-N 3.34Å; Y998-Y1000 PolarHBondContact O-N 3.11Å; Y998-L1001 PolarHBondContact O-N 3.06Å; Y998-W1002 VanDerWaalsContact O-CB 3.23Å; Y998-W1002 WeakPolarHBondContact O-CB 3.49Å; Y998-W1002 PolarHBondContact O-N 3.22Å; Y998-V1077 HydrophobicContact CE1-CG1 4.34Å; Y998-F1078 HydrophobicContact CD1-CE2 4.38Å; Y998-F1078 HydrophobicContact CD1-CZ 4.24Å; Y998-F1078 AromaticContact CE1-CE2 3.92Å; Y998-F1078 HydrophobicContact CE1-CE2 3.92Å; Y998-F1078 HydrophobicContact CE1-CZ 4.21Å
999L92.4Very high89.4Confident5 Ų544.9 Ų44.93%0.02621%0.21CC..Hα-helixtrans-62.8-39179.4-74.9168.9000112.6L995 W996 W1002 M1003 I1013 M1032 L1072 F1078 F1093L995-L999 HydrophobicContact CD1-CD1 4.49Å; L995-L999 PolarHBondContact O-N 2.96Å; W996-L999 PolarHBondContact O-N 2.77Å; L999-W1002 PolarHBondContact O-N 3.05Å; L999-M1003 WeakPolarHBondContact O-CB 3.44Å; L999-M1003 WeakPolarHBondContact O-CG 3.23Å; L999-M1003 PolarHBondContact O-N 2.98Å; L999-I1013 HydrophobicContact CB-CD1 4.34Å; L999-M1032 HydrophobicContact CD1-CE 3.95Å; L999-M1032 HydrophobicContact CD1-SD 3.88Å; L999-L1072 HydrophobicContact CD2-CD2 3.81Å; L999-F1078 HydrophobicContact CD1-CZ 4.42Å; L999-F1078 HydrophobicContact CD2-CE2 3.78Å; L999-F1078 HydrophobicContact CD2-CZ 3.71Å; L999-F1078 HydrophobicContact CG-CZ 4.1Å; L999-F1093 HydrophobicContact CD1-CZ 4.4Å
1000Y89.9Confident88.9Confident37 Ų3751.9 Ų51.915%0.14524%0.236CC..Hα-helixtrans-63.7-50.1176.6-168.8-79.3000111.6L941 P942 W996 R997 Y998 W1002 M1003 H1004 I1013L941-Y1000 HydrophobicContact CD1-CD1 4.42Å; L941-Y1000 HydrophobicContact CD2-CE1 4.16Å; P942-Y1000 HydrophobicContact CB-CE2 4.4Å; P942-Y1000 VanDerWaalsContact CD-CZ 3.46Å; P942-Y1000 HydrophobicContact CG-CD2 4.44Å; P942-Y1000 HydrophobicContact CG-CE2 3.63Å; W996-Y1000 VanDerWaalsContact O-CB 3.26Å; W996-Y1000 WeakPolarHBondContact O-CB 3.29Å; W996-Y1000 PolarHBondContact O-N 2.95Å; R997-Y1000 PolarHBondContact O-N 2.84Å; Y998-Y1000 VanDerWaalsContact C-N 3.34Å; Y998-Y1000 PolarHBondContact O-N 3.11Å; Y1000-W1002 VanDerWaalsContact C-N 3.32Å; Y1000-W1002 PolarHBondContact O-N 2.74Å; Y1000-M1003 PolarHBondContact O-N 3.34Å; Y1000-H1004 AromaticContact CD1-NE2 3.9Å; Y1000-H1004 AromaticContact CE1-NE2 3.33Å; Y1000-H1004 VanDerWaalsContact CE1-NE2 3.33Å; Y1000-H1004 WeakPolarHBondContact CE1-NE2 3.43Å; Y1000-H1004 PolarHBondContact O-CD2 2.91Å; Y1000-I1013 HydrophobicContact CD2-CG2 3.92Å
1001L89.7Confident88.6Confident68 Ų6851 Ų5136%0.35623%0.232SC..Hα-helixtrans-63.3-37176.3-77.3171.2000112.5L941 R997 Y998 H1004L941-L1001 HydrophobicContact CD1-CD2 3.56Å; L941-L1001 HydrophobicContact CD1-CG 3.95Å; R997-L1001 HydrophobicContact CG-CD1 3.96Å; R997-L1001 HydrophobicContact CG-CG 4.5Å; R997-L1001 WeakPolarHBondContact O-CB 3.39Å; R997-L1001 WeakPolarHBondContact O-CG 3.42Å; R997-L1001 PolarHBondContact O-N 2.98Å; Y998-L1001 PolarHBondContact O-N 3.06Å; L1001-H1004 PolarHBondContact O-N 2.89Å
1002W88Confident88.2Confident33 Ų3351.9 Ų51.913%0.12523%0.231CC..Hα-helixtrans-63.9-40.2175.4179.494.5000111.7Y998 L999 Y1000 H1004 Q1005 F1008 F1068 V1071 L1072 T1075Y998-W1002 VanDerWaalsContact O-CB 3.23Å; Y998-W1002 WeakPolarHBondContact O-CB 3.49Å; Y998-W1002 PolarHBondContact O-N 3.22Å; L999-W1002 PolarHBondContact O-N 3.05Å; Y1000-W1002 VanDerWaalsContact C-N 3.32Å; Y1000-W1002 PolarHBondContact O-N 2.74Å; W1002-H1004 PolarHBondContact O-N 3.31Å; W1002-Q1005 WeakPolarHBondContact O-CG 3.45Å; W1002-Q1005 PolarHBondContact O-N 3.24Å; W1002-Q1005 PolarHBondContact O-NE2 2.73Å; W1002-Q1005 VanDerWaalsContact O-NE2 3.13Å; W1002-F1008 HydrophobicContact CE3-CD2 4.47Å; W1002-F1008 HydrophobicContact CH2-CD2 4.01Å; W1002-F1008 AromaticContact CH2-CE2 3.46Å; W1002-F1008 HydrophobicContact CH2-CE2 3.46Å; W1002-F1008 VanDerWaalsContact CH2-CE2 3.46Å; W1002-F1008 HydrophobicContact CH2-CZ 4.27Å; W1002-F1008 HydrophobicContact CZ2-CE2 4.32Å; W1002-F1008 AromaticContact CZ3-CD2 3.77Å; W1002-F1008 HydrophobicContact CZ3-CD2 3.77Å; W1002-F1008 AromaticContact CZ3-CE2 3.68Å; W1002-F1008 HydrophobicContact CZ3-CE2 3.68Å; W1002-F1068 HydrophobicContact CZ3-CD1 4.18Å; W1002-F1068 HydrophobicContact CZ3-CE1 4.02Å; W1002-V1071 HydrophobicContact CH2-CB 4.14Å; W1002-V1071 HydrophobicContact CH2-CG1 4.07Å; W1002-V1071 HydrophobicContact CZ2-CB 4.16Å; W1002-V1071 HydrophobicContact CZ2-CG1 3.71Å; W1002-L1072 HydrophobicContact CD2-CD2 4.25Å; W1002-L1072 HydrophobicContact CE3-CD2 4.09Å; W1002-L1072 HydrophobicContact CH2-CD2 3.49Å; W1002-L1072 VanDerWaalsContact CH2-CD2 3.49Å; W1002-L1072 HydrophobicContact CH2-CG 3.62Å; W1002-L1072 HydrophobicContact CZ2-CD2 3.62Å; W1002-L1072 HydrophobicContact CZ2-CG 4.02Å; W1002-L1072 HydrophobicContact CZ3-CD2 3.75Å; W1002-L1072 HydrophobicContact CZ3-CG 4.15Å; W1002-T1075 HydrophobicContact CZ2-CG2 4.08Å; W1002-T1075 VanDerWaalsContact NE1-CG2 3.31Å
1003M85.1Confident88Confident9 Ų952.1 Ų52.14%0.04423%0.233CC..Hα-helixtrans-64.9-15.1179.6-82.818046.300115.3L999 Y1000 Q1005 F1008 E1009 Y1011 I1013 L1034 F1068L999-M1003 WeakPolarHBondContact O-CB 3.44Å; L999-M1003 WeakPolarHBondContact O-CG 3.23Å; L999-M1003 PolarHBondContact O-N 2.98Å; Y1000-M1003 PolarHBondContact O-N 3.34Å; M1003-Q1005 PolarHBondContact O-N 2.78Å; M1003-F1008 HydrophobicContact CB-CB 4.48Å; M1003-F1008 HydrophobicContact CG-CB 4.49Å; M1003-F1008 CarbonylContact O-C 3.57Å; M1003-F1008 VanDerWaalsContact O-CB 3.31Å; M1003-F1008 WeakPolarHBondContact O-CB 3.48Å; M1003-E1009 PolarHBondContact O-N 2.74Å; M1003-Y1011 WeakPolarHBondContact CE-O 3.37Å; M1003-I1013 HydrophobicContact CE-CB 3.9Å; M1003-I1013 HydrophobicContact CE-CG2 4.05Å; M1003-I1013 HydrophobicContact SD-CB 3.56Å; M1003-I1013 VanDerWaalsContact SD-CB 3.56Å; M1003-I1013 HydrophobicContact SD-CD1 3.97Å; M1003-I1013 HydrophobicContact SD-CG1 4.36Å; M1003-I1013 HydrophobicContact SD-CG2 3.54Å; M1003-I1013 VanDerWaalsContact SD-CG2 3.54Å; M1003-L1034 HydrophobicContact CE-CD1 3.45Å; M1003-L1034 VanDerWaalsContact CE-CD1 3.45Å; M1003-L1034 HydrophobicContact SD-CD1 3.94Å; M1003-F1068 HydrophobicContact CE-CZ 4.34Å; M1003-F1068 HydrophobicContact CG-CE1 3.98Å; M1003-F1068 HydrophobicContact CG-CZ 4.29Å; M1003-F1068 HydrophobicContact SD-CE1 3.79Å; M1003-F1068 HydrophobicContact SD-CZ 4.09Å
1004H78.2Confident87.8Confident111 Ų11153 Ų5351%0.51424%0.239SC..THydrogen-bonded Turntrans-70.123.8168.4-74.1-82.1000113.9Y1000 L1001 W1002Y1000-H1004 AromaticContact CD1-NE2 3.9Å; Y1000-H1004 AromaticContact CE1-NE2 3.33Å; Y1000-H1004 VanDerWaalsContact CE1-NE2 3.33Å; Y1000-H1004 WeakPolarHBondContact CE1-NE2 3.43Å; Y1000-H1004 PolarHBondContact O-CD2 2.91Å; L1001-H1004 PolarHBondContact O-N 2.89Å; W1002-H1004 PolarHBondContact O-N 3.31Å
1005Q77.4Confident87.7Confident65 Ų6548.2 Ų48.230%0.30422%0.221SC..SBendtrans-73.4142.7160.9-63.1-32.4-78.300109.3W1002 M1003 M1007 F1008 E1009W1002-Q1005 WeakPolarHBondContact O-CG 3.45Å; W1002-Q1005 PolarHBondContact O-N 3.24Å; W1002-Q1005 PolarHBondContact O-NE2 2.73Å; W1002-Q1005 VanDerWaalsContact O-NE2 3.13Å; M1003-Q1005 PolarHBondContact O-N 2.78Å; Q1005-M1007 PolarHBondContact O-N 2.74Å; Q1005-F1008 PolarHBondContact O-N 3.26Å; Q1005-E1009 PolarHBondContact O-N 2.8Å
1006P81.2Confident87.6Confident106 Ų10648.2 Ų48.269%0.68822%0.221SC*.THydrogen-bonded Turntrans-56.9-16179.9-28.535.8000115.9
1007M81.4Confident87.5Confident37 Ų3748.9 Ų48.918%0.18223%0.23CC..THydrogen-bonded Turntrans-79-25.9173.5-173.716461.900113.3Y472 Q476 Q1005 L1067 V1071Y472-M1007 HydrophobicContact CD1-CE 3.75Å; Y472-M1007 HydrophobicContact CE1-CE 3.69Å; Q476-M1007 HydrophobicContact CG-SD 4.28Å; Q1005-M1007 PolarHBondContact O-N 2.74Å; M1007-L1067 HydrophobicContact CE-CD1 4.26Å; M1007-L1067 HydrophobicContact SD-CD1 4.09Å; M1007-V1071 HydrophobicContact CE-CG2 3.69Å
1008F85.7Confident87.6Confident0 Ų048.5 Ų48.50%023%0.234CC..THydrogen-bonded Turntrans-116.9-6.9-174.1-63.1-48.6000114.4W1002 M1003 Q1005 R1010 Y1011 L1067 F1068 V1071W1002-F1008 HydrophobicContact CE3-CD2 4.47Å; W1002-F1008 HydrophobicContact CH2-CD2 4.01Å; W1002-F1008 AromaticContact CH2-CE2 3.46Å; W1002-F1008 HydrophobicContact CH2-CE2 3.46Å; W1002-F1008 VanDerWaalsContact CH2-CE2 3.46Å; W1002-F1008 HydrophobicContact CH2-CZ 4.27Å; W1002-F1008 HydrophobicContact CZ2-CE2 4.32Å; W1002-F1008 AromaticContact CZ3-CD2 3.77Å; W1002-F1008 HydrophobicContact CZ3-CD2 3.77Å; W1002-F1008 AromaticContact CZ3-CE2 3.68Å; W1002-F1008 HydrophobicContact CZ3-CE2 3.68Å; M1003-F1008 HydrophobicContact CB-CB 4.48Å; M1003-F1008 HydrophobicContact CG-CB 4.49Å; M1003-F1008 CarbonylContact O-C 3.57Å; M1003-F1008 VanDerWaalsContact O-CB 3.31Å; M1003-F1008 WeakPolarHBondContact O-CB 3.48Å; Q1005-F1008 PolarHBondContact O-N 3.26Å; F1008-R1010 PolarHBondContact O-N 2.91Å; F1008-Y1011 HydrophobicContact CD1-CD2 4.32Å; F1008-Y1011 HydrophobicContact CD1-CE2 4.4Å; F1008-Y1011 WeakPolarHBondContact O-CD2 3.43Å; F1008-Y1011 PolarHBondContact O-N 3.09Å; F1008-L1067 HydrophobicContact CE1-CD2 3.83Å; F1008-L1067 HydrophobicContact CE1-CG 3.82Å; F1008-L1067 HydrophobicContact CZ-CG 4.1Å; F1008-F1068 HydrophobicContact CB-CZ 4.31Å; F1008-F1068 HydrophobicContact CD1-CD2 4.04Å; F1008-F1068 HydrophobicContact CD1-CE1 4.42Å; F1008-F1068 AromaticContact CD1-CE2 3.28Å; F1008-F1068 HydrophobicContact CD1-CE2 3.28Å; F1008-F1068 AromaticContact CD1-CZ 3.51Å; F1008-F1068 HydrophobicContact CD1-CZ 3.51Å; F1008-F1068 HydrophobicContact CD2-CZ 4.47Å; F1008-F1068 AromaticContact CE1-CD2 3.52Å; F1008-F1068 HydrophobicContact CE1-CD2 3.52Å; F1008-F1068 HydrophobicContact CE1-CE1 4.5Å; F1008-F1068 AromaticContact CE1-CE2 3.27Å; F1008-F1068 HydrophobicContact CE1-CE2 3.27Å; F1008-F1068 HydrophobicContact CE1-CG 4.24Å; F1008-F1068 AromaticContact CE1-CZ 3.82Å; F1008-F1068 HydrophobicContact CE1-CZ 3.82Å; F1008-F1068 HydrophobicContact CG-CE2 4.12Å; F1008-F1068 AromaticContact CG-CZ 3.87Å; F1008-F1068 HydrophobicContact CG-CZ 3.87Å; F1008-F1068 HydrophobicContact CZ-CD2 4.07Å; F1008-F1068 HydrophobicContact CZ-CE2 4.1Å; F1008-F1068 HydrophobicContact CZ-CG 4.37Å; F1008-F1068 HydrophobicContact CZ-CZ 4.42Å; F1008-V1071 HydrophobicContact CE2-CB 4.14Å; F1008-V1071 HydrophobicContact CE2-CG1 4.14Å; F1008-V1071 HydrophobicContact CE2-CG2 4.28Å; F1008-V1071 HydrophobicContact CZ-CB 4.18Å; F1008-V1071 HydrophobicContact CZ-CG2 3.99Å
1009E84.8Confident87.6Confident126 Ų12644.5 Ų44.559%0.58922%0.219SC*.THydrogen-bonded Turntrans-45.5-31.9175.5-176.4173.7-154.100114.7M1003 Q1005 Y1011M1003-E1009 PolarHBondContact O-N 2.74Å; Q1005-E1009 PolarHBondContact O-N 2.8Å; E1009-Y1011 PolarHBondContact O-N 2.86Å
1010R84.8Confident87.7Confident150 Ų15044.6 Ų44.657%0.56622%0.219SC*.THydrogen-bonded Turntrans-81.212.7177.5-64179.5-67.3179.60.2114.7F1008 E1037F1008-R1010 PolarHBondContact O-N 2.91Å; R1010-E1037 PolarHBondContact O-N 3.32Å
1011Y88.5Confident87.8Confident25 Ų2543.1 Ų43.110%0.09821%0.214CC..EExtended strand (participates in β ladder)trans-131.3141.1177.8-51.5-81.8000111.9M1003 F1008 E1009 L1034 L1035 P1036 I1064 F1068 F1106M1003-Y1011 WeakPolarHBondContact CE-O 3.37Å; F1008-Y1011 HydrophobicContact CD1-CD2 4.32Å; F1008-Y1011 HydrophobicContact CD1-CE2 4.4Å; F1008-Y1011 WeakPolarHBondContact O-CD2 3.43Å; F1008-Y1011 PolarHBondContact O-N 3.09Å; E1009-Y1011 PolarHBondContact O-N 2.86Å; Y1011-L1034 HydrophobicContact CD1-CD2 4.48Å; Y1011-L1034 HydrophobicContact CD1-CG 4.37Å; Y1011-L1034 HydrophobicContact CG-CD1 4.28Å; Y1011-L1034 HydrophobicContact CG-CD2 4.49Å; Y1011-L1034 HydrophobicContact CG-CG 4.38Å; Y1011-L1035 CarbonylContact C-O 3.5Å; Y1011-L1035 WeakPolarHBondContact CA-O 3.34Å; Y1011-L1035 WeakPolarHBondContact CB-O 3.22Å; Y1011-P1036 HydrophobicContact CD1-CB 4.23Å; Y1011-P1036 HydrophobicContact CE1-CB 4.31Å; Y1011-I1064 HydrophobicContact CE1-CG2 4.42Å; Y1011-I1064 VanDerWaalsContact OH-CD1 3.27Å; Y1011-I1064 WeakPolarHBondContact OH-CD1 3.4Å; Y1011-F1068 HydrophobicContact CD2-CE2 4.41Å; Y1011-F1106 HydrophobicContact CD1-CE2 4.01Å; Y1011-F1106 AromaticContact CE1-CE2 3.85Å; Y1011-F1106 HydrophobicContact CE1-CE2 3.85Å; Y1011-F1106 HydrophobicContact CE1-CZ 4.41Å
1012R86.6Confident88Confident70 Ų7040.7 Ų40.726%0.26421%0.205SC..EExtended strand (participates in β ladder)trans-107.8141171.6-74.5173.553.5-168.9-6.3109.8L1035 E1037 L1193R1012-L1035 PolarHBondContact N-O 3.5Å; R1012-L1035 PolarHBondContact O-N 2.76Å; R1012-E1037 WeakPolarHBondContact CD-OE1 3.49Å; R1012-E1037 IonicContact NH1-OE1 4Å; R1012-L1193 PolarHBondContact NH2-O 2.94Å
1013I90.4Very high88.3Confident6 Ų639.2 Ų39.23%0.03120%0.199CC..EExtended strand (participates in β ladder)trans-107.4112178.1-172.7164.8000110.7W996 L999 Y1000 M1003 M1032 L1104W996-I1013 PolarHBondContact NE1-O 3.37Å; L999-I1013 HydrophobicContact CB-CD1 4.34Å; Y1000-I1013 HydrophobicContact CD2-CG2 3.92Å; M1003-I1013 HydrophobicContact CE-CB 3.9Å; M1003-I1013 HydrophobicContact CE-CG2 4.05Å; M1003-I1013 HydrophobicContact SD-CB 3.56Å; M1003-I1013 VanDerWaalsContact SD-CB 3.56Å; M1003-I1013 HydrophobicContact SD-CD1 3.97Å; M1003-I1013 HydrophobicContact SD-CG1 4.36Å; M1003-I1013 HydrophobicContact SD-CG2 3.54Å; M1003-I1013 VanDerWaalsContact SD-CG2 3.54Å; I1013-M1032 HydrophobicContact CD1-CB 4.35Å; I1013-M1032 HydrophobicContact CD1-SD 3.5Å; I1013-M1032 WeakPolarHBondContact CD1-SD 3.39Å; I1013-M1032 HydrophobicContact CG1-CB 4.21Å; I1013-M1032 HydrophobicContact CG1-SD 3.88Å; I1013-L1104 HydrophobicContact CD1-CD1 3.89Å; I1013-L1104 HydrophobicContact CG1-CD1 4.3Å
1014C90.1Very high88.7Confident20 Ų2039 Ų3914%0.13520%0.199CC..EExtended strand (participates in β ladder)trans-102131.6-177.8-660000110.5M1032 C1033 I1112C1014-M1032 CarbonylContact O-C 3.48Å; C1014-M1032 WeakPolarHBondContact O-CA 3.4Å; C1014-C1033 PolarHBondContact N-O 2.82Å; C1014-C1033 PolarHBondContact O-N 2.83Å; C1014-I1112 HydrophobicContact CB-CD1 4.09Å
1015L92Very high89.5Confident0 Ų034.2 Ų34.20%018%0.178CC..EExtended strand (participates in β ladder)trans-70.9138.6170.1-176.466.2000110.5M993 W996 T1019 I1020 I1030 L1197M993-L1015 HydrophobicContact CE-CD2 3.57Å; M993-L1015 HydrophobicContact SD-CD2 4.01Å; W996-L1015 HydrophobicContact CD2-CB 3.99Å; W996-L1015 HydrophobicContact CE3-CB 3.81Å; W996-L1015 HydrophobicContact CE3-CD2 3.8Å; W996-L1015 HydrophobicContact CE3-CG 4.36Å; W996-L1015 HydrophobicContact CH2-CB 3.69Å; W996-L1015 HydrophobicContact CZ2-CB 3.88Å; W996-L1015 HydrophobicContact CZ3-CB 3.64Å; W996-L1015 HydrophobicContact CZ3-CD2 3.78Å; W996-L1015 HydrophobicContact CZ3-CG 4.37Å; L1015-T1019 HydrophobicContact CD1-CG2 4.11Å; L1015-T1019 HydrophobicContact CD2-CG2 3.99Å; L1015-T1019 HydrophobicContact CG-CG2 4.49Å; L1015-I1020 HydrophobicContact CD2-CB 4.04Å; L1015-I1020 HydrophobicContact CD2-CD1 3.88Å; L1015-I1020 HydrophobicContact CD2-CG2 4.42Å; L1015-I1020 HydrophobicContact CG-CB 4.34Å; L1015-I1020 HydrophobicContact CG-CD1 4.32Å; L1015-I1020 HydrophobicContact CG-CG2 4.17Å; L1015-I1030 HydrophobicContact CD1-CD1 3.86Å; L1015-I1030 HydrophobicContact CD1-CG1 3.46Å; L1015-I1030 VanDerWaalsContact CD1-CG1 3.46Å; L1015-L1197 WeakPolarHBondContact O-CD1 3.1Å
1016V93Very high90.3Very high9 Ų933.8 Ų33.86%0.05518%0.178CC..  trans-137.1179.7177.4-65.10000111.8D1031 C1033 I1112 T1115V1016-D1031 HydrophobicContact CG2-CB 3.66Å; V1016-D1031 PolarHBondContact N-O 3.33Å; V1016-C1033 HydrophobicContact CG1-CB 4.16Å; V1016-I1112 HydrophobicContact CG1-CB 4.31Å; V1016-I1112 HydrophobicContact CG1-CG1 3.54Å; V1016-T1115 WeakPolarHBondContact CB-OG1 3.19Å
1017G92.9Very high90.9Very high21 Ų2133.5 Ų33.522%0.21618%0.178CC..G310 helixtrans71.4-144.6162.200000115.8T1019 I1020 T1021 D1031 T1115G1017-T1019 VanDerWaalsContact C-N 3.26Å; G1017-T1019 PolarHBondContact O-N 2.7Å; G1017-I1020 PolarHBondContact O-N 2.88Å; G1017-T1021 WeakPolarHBondContact O-CB 3.31Å; G1017-T1021 WeakPolarHBondContact O-CG2 3.36Å; G1017-T1021 PolarHBondContact O-N 2.84Å; G1017-T1021 PolarHBondContact O-OG1 3.27Å; G1017-D1031 WeakPolarHBondContact CA-OD2 3.22Å; G1017-T1115 PolarHBondContact N-OG1 3.01Å
1018S94Very high91.5Very high33 Ų3332.6 Ų32.623%0.23118%0.176CC..G310 helixtrans-67.1-27-163.4-66.70000113.3I1020 G1024 D1031S1018-I1020 VanDerWaalsContact C-N 3.27Å; S1018-I1020 PolarHBondContact O-N 3Å; S1018-G1024 WeakPolarHBondContact O-CA 3.5Å; S1018-G1024 PolarHBondContact O-N 3.23Å; S1018-G1024 VanDerWaalsContact O-N 3.08Å; S1018-D1031 PolarHBondContact N-OD2 3.2Å
1019T94.4Very high92Very high4 Ų434.9 Ų34.93%0.02519%0.188CC..G310 helixtrans-65.7-26.5-175-67.60000113.8F989 K992 M993 L1015 G1017 D1029 I1030F989-T1019 HydrophobicContact CD2-CG2 4.5Å; F989-T1019 HydrophobicContact CE2-CG2 4.5Å; K992-T1019 HydrophobicContact CB-CG2 4.24Å; K992-T1019 HydrophobicContact CD-CG2 3.48Å; K992-T1019 VanDerWaalsContact CD-CG2 3.48Å; K992-T1019 WeakPolarHBondContact CD-OG1 3.34Å; K992-T1019 HydrophobicContact CG-CG2 4.49Å; K992-T1019 PolarHBondContact NZ-OG1 2.9Å; M993-T1019 HydrophobicContact CE-CG2 3.83Å; L1015-T1019 HydrophobicContact CD1-CG2 4.11Å; L1015-T1019 HydrophobicContact CD2-CG2 3.99Å; L1015-T1019 HydrophobicContact CG-CG2 4.49Å; G1017-T1019 VanDerWaalsContact C-N 3.26Å; G1017-T1019 PolarHBondContact O-N 2.7Å; T1019-D1029 PolarHBondContact OG1-O 3.17Å; T1019-I1030 HydrophobicContact CG2-CG1 4.46Å
1020I92.6Very high92.5Very high7 Ų728.9 Ų28.94%0.03616%0.16CC..THydrogen-bonded Turntrans-127.2-20.8-165.5-178.7160.4000113.3Y946 L1015 G1017 S1018 G1022 T1115 L1197Y946-I1020 HydrophobicContact CD1-CD1 3.84Å; Y946-I1020 HydrophobicContact CE1-CD1 3.32Å; Y946-I1020 HydrophobicContact CE1-CG1 4.41Å; L1015-I1020 HydrophobicContact CD2-CB 4.04Å; L1015-I1020 HydrophobicContact CD2-CD1 3.88Å; L1015-I1020 HydrophobicContact CD2-CG2 4.42Å; L1015-I1020 HydrophobicContact CG-CB 4.34Å; L1015-I1020 HydrophobicContact CG-CD1 4.32Å; L1015-I1020 HydrophobicContact CG-CG2 4.17Å; G1017-I1020 PolarHBondContact O-N 2.88Å; S1018-I1020 VanDerWaalsContact C-N 3.27Å; S1018-I1020 PolarHBondContact O-N 3Å; I1020-G1022 PolarHBondContact O-N 2.97Å; I1020-T1115 HydrophobicContact CG2-CG2 3.37Å; I1020-L1197 HydrophobicContact CD1-CB 3.71Å; I1020-L1197 HydrophobicContact CD1-CD1 4.06Å; I1020-L1197 HydrophobicContact CG1-CB 4.39Å
1021T93.9Very high93.1Very high6 Ų623.6 Ų23.64%0.03714%0.143CC..SBendtrans-681.1175.846.70000115.3G1017 F1023 T1115 L1118 A1122G1017-T1021 WeakPolarHBondContact O-CB 3.31Å; G1017-T1021 WeakPolarHBondContact O-CG2 3.36Å; G1017-T1021 PolarHBondContact O-N 2.84Å; G1017-T1021 PolarHBondContact O-OG1 3.27Å; T1021-F1023 WeakPolarHBondContact O-CD2 3.43Å; T1021-F1023 PolarHBondContact O-N 3.39Å; T1021-F1023 VanDerWaalsContact O-N 3.16Å; T1021-T1115 HydrophobicContact CG2-CG2 3.98Å; T1021-L1118 HydrophobicContact CG2-CB 3.66Å; T1021-L1118 HydrophobicContact CG2-CD1 4.09Å; T1021-A1122 VanDerWaalsContact O-CB 3.27Å; T1021-A1122 WeakPolarHBondContact O-CB 3.33Å
1022G92.5Very high93.4Very high16 Ų1622.4 Ų22.417%0.16514%0.138CC..SBendtrans74.1-7.3-173.600000115.1I1020 R1129I1020-G1022 PolarHBondContact O-N 2.97Å; G1022-R1129 PolarHBondContact O-NE 3.42Å; G1022-R1129 PolarHBondContact O-NH2 3.42Å; G1022-R1129 VanDerWaalsContact O-NH2 3.1Å
1023F95.5Very high93.8Very high2 Ų219.1 Ų19.11%0.00913%0.126CC..  trans-99.614.5179.7-55.7-51.5000113.9T1021 L1118 A1122 T1128 R1129 V1132 K1136 V1158T1021-F1023 WeakPolarHBondContact O-CD2 3.43Å; T1021-F1023 PolarHBondContact O-N 3.39Å; T1021-F1023 VanDerWaalsContact O-N 3.16Å; F1023-L1118 HydrophobicContact CD2-CB 4.44Å; F1023-L1118 HydrophobicContact CE2-CB 4.08Å; F1023-L1118 HydrophobicContact CE2-CD2 4.35Å; F1023-A1122 HydrophobicContact CD1-CB 4.46Å; F1023-A1122 HydrophobicContact CE1-CB 3.78Å; F1023-A1122 HydrophobicContact CE2-CB 4.08Å; F1023-A1122 HydrophobicContact CZ-CB 3.57Å; F1023-T1128 HydrophobicContact CE1-CG2 4Å; F1023-T1128 HydrophobicContact CZ-CG2 3.99Å; F1023-R1129 HydrophobicContact CD1-CG 4.36Å; F1023-R1129 HydrophobicContact CE1-CG 4.09Å; F1023-V1132 HydrophobicContact CB-CG1 3.86Å; F1023-V1132 HydrophobicContact CD1-CB 3.68Å; F1023-V1132 HydrophobicContact CD1-CG1 3.52Å; F1023-V1132 HydrophobicContact CD1-CG2 3.97Å; F1023-V1132 HydrophobicContact CD2-CG1 4.44Å; F1023-V1132 HydrophobicContact CE1-CB 3.92Å; F1023-V1132 HydrophobicContact CE1-CG1 4.15Å; F1023-V1132 HydrophobicContact CE1-CG2 3.71Å; F1023-V1132 HydrophobicContact CG-CB 4.36Å; F1023-V1132 HydrophobicContact CG-CG1 3.69Å; F1023-V1132 HydrophobicContact CZ-CG2 4.17Å; F1023-K1136 PolarHBondContact O-NZ 2.86Å; F1023-V1158 HydrophobicContact CD2-CG1 3.89Å; F1023-V1158 HydrophobicContact CE2-CG1 3.78Å; F1023-V1158 HydrophobicContact CZ-CG1 4.49Å
1024G93.7Very high93.9Very high4 Ų418.9 Ų18.94%0.04113%0.125CC..  trans-74.2155.7179.400000114.2Q984 S1018Q984-G1024 PolarHBondContact N-O 3.09Å; S1018-G1024 WeakPolarHBondContact O-CA 3.5Å; S1018-G1024 PolarHBondContact O-N 3.23Å; S1018-G1024 VanDerWaalsContact O-N 3.08Å
1025T95Very high93.8Very high12 Ų1218.1 Ų18.17%0.07412%0.119CC..BIsolated β-bridgetrans-119.8162170.2610000109.6A982 S1027 S1028A982-T1025 WeakPolarHBondContact O-CA 3.5Å; A982-T1025 WeakPolarHBondContact O-CB 3.4Å; A982-T1025 VanDerWaalsContact O-CG2 3.28Å; A982-T1025 WeakPolarHBondContact O-CG2 3.48Å; T1025-S1027 PolarHBondContact O-N 3.04Å; T1025-S1027 VanDerWaalsContact O-N 3.13Å; T1025-S1027 PolarHBondContact OG1-OG 2.87Å; T1025-S1028 PolarHBondContact N-OG 2.72Å; T1025-S1028 VanDerWaalsContact O-CB 3.32Å; T1025-S1028 WeakPolarHBondContact O-CB 3.49Å; T1025-S1028 PolarHBondContact O-N 3.18Å; T1025-S1028 PolarHBondContact O-OG 2.64Å; T1025-S1028 PolarHBondContact OG1-N 3.42Å; T1025-S1028 PolarHBondContact OG1-OG 3.13Å
1026D94.4Very high93.5Very high56 Ų5620 Ų2030%0.29913%0.132SC..THydrogen-bonded Turntrans-63.8-17.5174.6-101.426.5000114.2Q984 T985 K988Q984-D1026 VanDerWaalsContact CA-OD1 3.29Å; Q984-D1026 WeakPolarHBondContact CA-OD1 3.46Å; T985-D1026 PolarHBondContact N-OD1 2.85Å; T985-D1026 PolarHBondContact OG1-OD1 3.34Å; T985-D1026 VanDerWaalsContact OG1-OD1 3.06Å; T985-D1026 PolarHBondContact OG1-OD2 2.91Å; K988-D1026 VanDerWaalsContact CB-CG 3.49Å; K988-D1026 WeakPolarHBondContact CB-OD1 3.46Å; K988-D1026 WeakPolarHBondContact CE-O 3.43Å; K988-D1026 HydrophobicContact CG-CB 4.46Å; K988-D1026 WeakPolarHBondContact CG-OD1 3.49Å
1027S92.8Very high92.5Very high99 Ų9924.3 Ų24.369%0.69215%0.151SC*.THydrogen-bonded Turntrans-91.8-1.4172.556.60000114.9T1025T1025-S1027 PolarHBondContact O-N 3.04Å; T1025-S1027 VanDerWaalsContact O-N 3.13Å; T1025-S1027 PolarHBondContact OG1-OG 2.87Å
1028S94.1Very high90.8Very high18 Ų1829.9 Ų29.913%0.12617%0.171CC..  trans-76.1138.6-179.5-66.70000111.4K992 T1025K992-S1028 VanDerWaalsContact CE-O 3.27Å; K992-S1028 WeakPolarHBondContact CE-O 3.44Å; K992-S1028 PolarHBondContact NZ-O 2.81Å; T1025-S1028 PolarHBondContact N-OG 2.72Å; T1025-S1028 VanDerWaalsContact O-CB 3.32Å; T1025-S1028 WeakPolarHBondContact O-CB 3.49Å; T1025-S1028 PolarHBondContact O-N 3.18Å; T1025-S1028 PolarHBondContact O-OG 2.64Å; T1025-S1028 PolarHBondContact OG1-N 3.42Å; T1025-S1028 PolarHBondContact OG1-OG 3.13Å
1029D95.6Very high88.4Confident48 Ų4831.2 Ų31.226%0.25719%0.191SC..  trans-55.6169.7169.8-57-0.1000112.2K992 T1019 R1092K992-D1029 PolarHBondContact NZ-O 3.32Å; T1019-D1029 PolarHBondContact OG1-O 3.17Å; D1029-R1092 IonicContact OD2-CZ 2.7Å; D1029-R1092 IonicContact OD2-NH1 2.7Å; D1029-R1092 PolarHBondContact OD2-NH1 3.3Å; D1029-R1092 IonicContact OD2-NH2 3.57Å; D1029-R1092 PolarHBondContact OD2-NH2 3.26Å
1030I96.1Very high85.6Confident0 Ų036.4 Ų36.40%022%0.222CC..EExtended strand (participates in β ladder)trans-108.596.1168.9-164.8172.9000110.6K992 L995 L1015 T1019 M1032 I1100 E1101 V1102 D1103K992-I1030 HydrophobicContact CB-CD1 3.76Å; K992-I1030 HydrophobicContact CD-CB 4.44Å; K992-I1030 HydrophobicContact CD-CD1 4.37Å; K992-I1030 HydrophobicContact CG-CD1 4.04Å; K992-I1030 WeakPolarHBondContact O-CD1 3.39Å; L995-I1030 HydrophobicContact CD2-CG2 4.35Å; L1015-I1030 HydrophobicContact CD1-CD1 3.86Å; L1015-I1030 HydrophobicContact CD1-CG1 3.46Å; L1015-I1030 VanDerWaalsContact CD1-CG1 3.46Å; T1019-I1030 HydrophobicContact CG2-CG1 4.46Å; I1030-M1032 HydrophobicContact CD1-CE 3.44Å; I1030-M1032 VanDerWaalsContact CD1-CE 3.44Å; I1030-M1032 HydrophobicContact CG1-CE 3.76Å; I1030-M1032 HydrophobicContact CG2-CE 4.23Å; I1030-I1100 HydrophobicContact CB-CG2 4.2Å; I1030-I1100 HydrophobicContact CG2-CG2 3.69Å; I1030-E1101 PolarHBondContact N-O 3.48Å; I1030-V1102 HydrophobicContact CG2-CB 4.02Å; I1030-V1102 HydrophobicContact CG2-CG1 4.04Å; I1030-V1102 HydrophobicContact CG2-CG2 3.66Å; I1030-D1103 PolarHBondContact O-N 3Å; I1030-D1103 VanDerWaalsContact O-N 3.11Å
1031D96.4Very high82.8Confident40 Ų4044.6 Ų44.621%0.21426%0.26CS..EExtended strand (participates in β ladder)trans-72.2131.1176.5-45.2-89.6000110.5V1016 G1017 S1018V1016-D1031 HydrophobicContact CG2-CB 3.66Å; V1016-D1031 PolarHBondContact N-O 3.33Å; G1017-D1031 WeakPolarHBondContact CA-OD2 3.22Å; S1018-D1031 PolarHBondContact N-OD2 3.2Å
1032M95.5Very high79.9Confident0 Ų048.7 Ų48.70%029%0.287CS..EExtended strand (participates in β ladder)trans-134.9142178.4-64.2-168.1-174.800112.7W996 L999 I1013 C1014 I1030 V1102 D1103 L1104 N1105W996-M1032 HydrophobicContact CB-CE 3.93Å; W996-M1032 HydrophobicContact CG-CE 4.18Å; L999-M1032 HydrophobicContact CD1-CE 3.95Å; L999-M1032 HydrophobicContact CD1-SD 3.88Å; I1013-M1032 HydrophobicContact CD1-CB 4.35Å; I1013-M1032 HydrophobicContact CD1-SD 3.5Å; I1013-M1032 WeakPolarHBondContact CD1-SD 3.39Å; I1013-M1032 HydrophobicContact CG1-CB 4.21Å; I1013-M1032 HydrophobicContact CG1-SD 3.88Å; C1014-M1032 CarbonylContact O-C 3.48Å; C1014-M1032 WeakPolarHBondContact O-CA 3.4Å; I1030-M1032 HydrophobicContact CD1-CE 3.44Å; I1030-M1032 VanDerWaalsContact CD1-CE 3.44Å; I1030-M1032 HydrophobicContact CG1-CE 3.76Å; I1030-M1032 HydrophobicContact CG2-CE 4.23Å; M1032-V1102 HydrophobicContact SD-CG1 4.38Å; M1032-D1103 PolarHBondContact N-O 3.19Å; M1032-L1104 HydrophobicContact CB-CD1 3.77Å; M1032-L1104 WeakPolarHBondContact O-CA 3.45Å; M1032-N1105 PolarHBondContact O-N 2.95Å; M1032-N1105 PolarHBondContact O-ND2 3.28Å
1033C94.3Very high77.1Confident1 Ų156.2 Ų56.21%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-114.2120.6174-177.80000110.4C1014 V1016 N1108 I1112C1014-C1033 PolarHBondContact N-O 2.82Å; C1014-C1033 PolarHBondContact O-N 2.83Å; V1016-C1033 HydrophobicContact CG1-CB 4.16Å; C1033-N1108 PolarHBondContact SG-N 3.39Å; C1033-I1112 HydrophobicContact CB-CD1 4.18Å; C1033-I1112 HydrophobicContact CB-CG1 4.24Å
1034L92.9Very high74.3Confident0 Ų064.4 Ų64.40%036%0.355CS..EExtended strand (participates in β ladder)trans-82.8121.3169.6-172.769.1000109.4M1003 Y1011 I1064 F1068 L1104 N1105 F1106 N1107M1003-L1034 HydrophobicContact CE-CD1 3.45Å; M1003-L1034 VanDerWaalsContact CE-CD1 3.45Å; M1003-L1034 HydrophobicContact SD-CD1 3.94Å; Y1011-L1034 HydrophobicContact CD1-CD2 4.48Å; Y1011-L1034 HydrophobicContact CD1-CG 4.37Å; Y1011-L1034 HydrophobicContact CG-CD1 4.28Å; Y1011-L1034 HydrophobicContact CG-CD2 4.49Å; Y1011-L1034 HydrophobicContact CG-CG 4.38Å; L1034-I1064 HydrophobicContact CD2-CG2 3.55Å; L1034-F1068 HydrophobicContact CD1-CE1 4.14Å; L1034-F1068 HydrophobicContact CD1-CE2 4.27Å; L1034-F1068 HydrophobicContact CD1-CZ 3.67Å; L1034-F1068 HydrophobicContact CD2-CD2 3.78Å; L1034-F1068 HydrophobicContact CD2-CE1 4.22Å; L1034-F1068 HydrophobicContact CD2-CE2 3.32Å; L1034-F1068 HydrophobicContact CD2-CG 4.41Å; L1034-F1068 HydrophobicContact CD2-CZ 3.58Å; L1034-F1068 HydrophobicContact CG-CE2 4.44Å; L1034-F1068 HydrophobicContact CG-CZ 4.3Å; L1034-L1104 HydrophobicContact CB-CD1 4.13Å; L1034-N1105 WeakPolarHBondContact CB-O 3.22Å; L1034-N1105 PolarHBondContact N-O 3.36Å; L1034-F1106 HydrophobicContact CB-CD2 4.1Å; L1034-F1106 HydrophobicContact CD2-CD2 3.91Å; L1034-F1106 HydrophobicContact CG-CD2 4.02Å; L1034-F1106 WeakPolarHBondContact O-CA 3.48Å; L1034-F1106 WeakPolarHBondContact O-CD2 3.18Å; L1034-N1107 PolarHBondContact O-N 2.84Å
1035L88.9Confident71.7Confident4 Ų473.2 Ų73.22%0.02140%0.395CS..EExtended strand (participates in β ladder)trans-110.4137.6176.5-64.2-177.9000110.6Y1011 R1012 I1112 L1193Y1011-L1035 CarbonylContact C-O 3.5Å; Y1011-L1035 WeakPolarHBondContact CA-O 3.34Å; Y1011-L1035 WeakPolarHBondContact CB-O 3.22Å; R1012-L1035 PolarHBondContact N-O 3.5Å; R1012-L1035 PolarHBondContact O-N 2.76Å; L1035-I1112 HydrophobicContact CD1-CD1 3.66Å; L1035-I1112 HydrophobicContact CD2-CD1 4Å; L1035-I1112 HydrophobicContact CG-CD1 4.05Å; L1035-L1193 HydrophobicContact CB-CD2 4.31Å; L1035-L1193 HydrophobicContact CD1-CD2 3.55Å; L1035-L1193 HydrophobicContact CD1-CG 4.35Å
1036P86Confident68.8Low40 Ų4080.3 Ų80.326%0.2643%0.428SS..EExtended strand (participates in β ladder)trans-69.8135.7164.331.1-32.2000109.7Y1011 Q1038 F1106Y1011-P1036 HydrophobicContact CD1-CB 4.23Å; Y1011-P1036 HydrophobicContact CE1-CB 4.31Å; P1036-Q1038 PolarHBondContact O-N 2.9Å; P1036-F1106 HydrophobicContact CG-CE2 4.46Å; P1036-F1106 HydrophobicContact CG-CZ 4.2Å
1037E71.2Confident66Low100 Ų10087.3 Ų87.347%0.46745%0.451SS..  trans-76.5122171.8-171.8147.2-108.300109.6R1010 R1012 G1039R1010-E1037 PolarHBondContact O-N 3.32Å; R1012-E1037 WeakPolarHBondContact CD-OE1 3.49Å; R1012-E1037 IonicContact NH1-OE1 4Å; E1037-G1039 PolarHBondContact O-N 3.4Å; E1037-G1039 VanDerWaalsContact O-N 3.17Å
1038Q57.7Low63.2Low137 Ų13791.4 Ų91.464%0.6446%0.459SS*.  trans-75.7106-178.9-67.3-171.160.300109.6P1036P1036-Q1038 PolarHBondContact O-N 2.9Å
1039G44.1Very low60.5Low62 Ų6295.9 Ų95.964%0.63948%0.478SS*.  trans-56.3148.6170.100000111.5E1037 H1041E1037-G1039 PolarHBondContact O-N 3.4Å; E1037-G1039 VanDerWaalsContact O-N 3.17Å; G1039-H1041 PolarHBondContact O-N 3.14Å
1040V34.6Very low58.2Low113 Ų113101.4 Ų101.469%0.68550%0.502SS*.SBendtrans-74.363.4-163.9-164.60000113.5
1041H34.7Very low55.6Low178 Ų178109.6 Ų109.682%0.82454%0.54SS*.  trans-14074.5174.9-73.8-58.7000111.9G1039G1039-H1041 PolarHBondContact O-N 3.14Å
1042P32.2Very low52.9Low92 Ų92112.7 Ų112.760%0.59755%0.553SS**  trans-60.2159.7154.530.2-34.6000110.2
1043H34.1Very low50.9Low174 Ų174118.1 Ų118.181%0.80658%0.577SS**SBendtrans71.884179.7-37.2-72.2000116.7
1044Q36.9Very low49.1Very low174 Ų174122 Ų12281%0.81359%0.594SS**SBendtrans-166.6-19.8133.7-114.1170.339.800117
1045H38Very low47.6Very low190 Ų190127 Ų12788%0.8862%0.621SS**  trans-118.271.1-173.4-63-26.9000113.7
1046Q35.1Very low46.8Very low161 Ų161130.1 Ų130.175%0.75264%0.636SS**  trans-121154.4160.5-158.3167.418.100108.1
1047Y34.5Very low46.6Very low203 Ų203131.5 Ų131.580%0.79664%0.637SS**SBendtrans67.582.9-170.3-43.9-76.7000115.5
1048H35.6Very low47.4Very low184 Ų184129.9 Ų129.985%0.85263%0.627SS**SBend179.5165.9126.3-88.715000110.9
1049Q36.4Very low48.9Very low112 Ų112126.3 Ų126.352%0.52362%0.615SS.*  trans53.566.6171.5-69.4-176.9-31.700119.4H1051Q1049-H1051 PolarHBondContact O-N 2.71Å
1050H46.2Very low51.1Low165 Ų165126.4 Ų126.476%0.76460%0.598SS**THydrogen-bonded Turntrans-61.8-9.2175.9-108.7-78.4000117.6
1051H41.7Very low53.9Low171 Ų171121.2 Ų121.279%0.79257%0.567SS**THydrogen-bonded Turntrans-111.7-20.1-176-82.6-67.9000115.8Q1049Q1049-H1051 PolarHBondContact O-N 2.71Å
1052H40Very low56.8Low106 Ų106114.1 Ų114.149%0.49154%0.536SS..THydrogen-bonded Turntrans-80.2-38.3176.6-76.8-105.1000111.6H1054 N1055 E1056H1052-H1054 VanDerWaalsContact C-N 3.27Å; H1052-H1054 PolarHBondContact O-N 2.63Å; H1052-N1055 PolarHBondContact O-N 2.87Å; H1052-E1056 WeakPolarHBondContact CB-OE1 3.32Å; H1052-E1056 PolarHBondContact O-N 3.46Å; H1052-E1056 VanDerWaalsContact O-N 3.16Å
1053F54.4Low59.7Low114 Ų114111.4 Ų111.450%0.552%0.515SS..Hα-helixtrans-48-34.3-176.8-162.6-127.3000116.2E1056 K1057F1053-E1056 VanDerWaalsContact CA-OE2 3.3Å; F1053-E1056 WeakPolarHBondContact CA-OE2 3.41Å; F1053-E1056 PolarHBondContact N-OE2 2.94Å; F1053-K1057 HydrophobicContact CE1-CD 4.3Å; F1053-K1057 HydrophobicContact CZ-CD 4.43Å; F1053-K1057 WeakPolarHBondContact O-CB 3.39Å; F1053-K1057 WeakPolarHBondContact O-CG 3.5Å; F1053-K1057 PolarHBondContact O-N 2.69Å; F1053-K1057 VanDerWaalsContact O-N 3.08Å
1054H56.6Low62.5Low82 Ų82103.2 Ų103.238%0.3848%0.478SS..Hα-helixtrans-76.2-33.1179.4-165.4-40.7000112.4H1052 R1058H1052-H1054 VanDerWaalsContact C-N 3.27Å; H1052-H1054 PolarHBondContact O-N 2.63Å; H1054-R1058 WeakPolarHBondContact O-CB 3.34Å; H1054-R1058 PolarHBondContact O-N 3.02Å; H1054-R1058 VanDerWaalsContact O-N 3.15Å
1055N60.8Low65.3Low105 Ų10594.9 Ų94.956%0.56144%0.439SS*.Hα-helixtrans-76.8-35.9176.3-76.2-14.1000110.9H1052 R1058 T1059H1052-N1055 PolarHBondContact O-N 2.87Å; N1055-R1058 PolarHBondContact O-N 3.27Å; N1055-T1059 WeakPolarHBondContact O-CB 3.45Å; N1055-T1059 PolarHBondContact O-N 2.92Å; N1055-T1059 PolarHBondContact O-OG1 2.93Å
1056E72.8Confident68Low70 Ų7089.1 Ų89.133%0.32742%0.417SS..Hα-helixtrans-58.6-55.8171.8-71.8155.9-171.300110.7H1052 F1053 R1058 T1059 E1060H1052-E1056 WeakPolarHBondContact CB-OE1 3.32Å; H1052-E1056 PolarHBondContact O-N 3.46Å; H1052-E1056 VanDerWaalsContact O-N 3.16Å; F1053-E1056 VanDerWaalsContact CA-OE2 3.3Å; F1053-E1056 WeakPolarHBondContact CA-OE2 3.41Å; F1053-E1056 PolarHBondContact N-OE2 2.94Å; E1056-R1058 VanDerWaalsContact C-N 3.3Å; E1056-R1058 PolarHBondContact O-N 3.39Å; E1056-T1059 WeakPolarHBondContact O-CB 3.37Å; E1056-T1059 PolarHBondContact O-N 3.35Å; E1056-E1060 WeakPolarHBondContact O-CB 3.31Å; E1056-E1060 PolarHBondContact O-N 2.91Å
1057K81Confident70.8Confident68 Ų6882.2 Ų82.230%0.29639%0.385SS..Hα-helixtrans-58.7-35.7177-75.6-170.2171.8-1670113.9F1053 A1061F1053-K1057 HydrophobicContact CE1-CD 4.3Å; F1053-K1057 HydrophobicContact CZ-CD 4.43Å; F1053-K1057 WeakPolarHBondContact O-CB 3.39Å; F1053-K1057 WeakPolarHBondContact O-CG 3.5Å; F1053-K1057 PolarHBondContact O-N 2.69Å; F1053-K1057 VanDerWaalsContact O-N 3.08Å; K1057-A1061 WeakPolarHBondContact O-CB 3.08Å; K1057-A1061 PolarHBondContact O-N 3.15Å
1058R88.1Confident73.5Confident66 Ų6672.7 Ų72.725%0.24935%0.348CS..Hα-helixtrans-66.9-43173.8179.8-174.3169.278.53.6111.6H1054 N1055 E1056 A1061 L1062 E1085 A1086 R1087 P1089H1054-R1058 WeakPolarHBondContact O-CB 3.34Å; H1054-R1058 PolarHBondContact O-N 3.02Å; H1054-R1058 VanDerWaalsContact O-N 3.15Å; N1055-R1058 PolarHBondContact O-N 3.27Å; E1056-R1058 VanDerWaalsContact C-N 3.3Å; E1056-R1058 PolarHBondContact O-N 3.39Å; R1058-A1061 PolarHBondContact O-N 2.92Å; R1058-L1062 HydrophobicContact CG-CD1 4.27Å; R1058-L1062 WeakPolarHBondContact O-CG 3.38Å; R1058-L1062 PolarHBondContact O-N 2.84Å; R1058-E1085 PolarHBondContact NH2-O 3.32Å; R1058-E1085 IonicContact NH2-OE2 3.97Å; R1058-A1086 PolarHBondContact NH1-O 3.05Å; R1058-R1087 PolarHBondContact NH1-O 3.44Å; R1058-P1089 HydrophobicContact CG-CG 4.27Å
1059T90.4Very high76.3Confident62 Ų6264.8 Ų64.838%0.3831%0.312SS..Hα-helixtrans-67-44.4-179.2-56.40000110.7Y482 N1055 E1056 L1062 I1063Y482-T1059 HydrophobicContact CE2-CG2 4Å; N1055-T1059 WeakPolarHBondContact O-CB 3.45Å; N1055-T1059 PolarHBondContact O-N 2.92Å; N1055-T1059 PolarHBondContact O-OG1 2.93Å; E1056-T1059 WeakPolarHBondContact O-CB 3.37Å; E1056-T1059 PolarHBondContact O-N 3.35Å; T1059-L1062 PolarHBondContact O-N 3.19Å; T1059-I1063 HydrophobicContact CG2-CD1 3.94Å; T1059-I1063 VanDerWaalsContact O-CG1 3.32Å; T1059-I1063 WeakPolarHBondContact O-CG1 3.47Å; T1059-I1063 PolarHBondContact O-N 3.31Å
1060E90.1Very high78.9Confident64 Ų6461.4 Ų61.430%0.29930%0.303SS..Hα-helixtrans-55.4-51.5171.4-176.5-177.4-139.700111.1E1056 L1062 I1063 I1064 F1106E1056-E1060 WeakPolarHBondContact O-CB 3.31Å; E1056-E1060 PolarHBondContact O-N 2.91Å; E1060-L1062 VanDerWaalsContact C-N 3.32Å; E1060-L1062 PolarHBondContact O-N 3.2Å; E1060-I1063 PolarHBondContact O-N 2.93Å; E1060-I1063 VanDerWaalsContact O-N 3.1Å; E1060-I1064 HydrophobicContact CG-CG1 4.31Å; E1060-I1064 WeakPolarHBondContact O-CG1 3.45Å; E1060-I1064 PolarHBondContact O-N 2.67Å; E1060-F1106 HydrophobicContact CG-CE1 3.75Å; E1060-F1106 HydrophobicContact CG-CZ 4.26Å
1061A92.8Very high81Confident4 Ų453.9 Ų53.93%0.03327%0.269CS..Hα-helixtrans-55.7-43.5177.100000112.8K1057 R1058 L1065 P1089 F1106K1057-A1061 WeakPolarHBondContact O-CB 3.08Å; K1057-A1061 PolarHBondContact O-N 3.15Å; R1058-A1061 PolarHBondContact O-N 2.92Å; A1061-L1065 VanDerWaalsContact O-CB 3.27Å; A1061-L1065 WeakPolarHBondContact O-CB 3.46Å; A1061-L1065 WeakPolarHBondContact O-CG 3.48Å; A1061-L1065 PolarHBondContact O-N 3.32Å; A1061-P1089 HydrophobicContact CB-CG 4.13Å; A1061-F1106 HydrophobicContact CB-CB 4.06Å; A1061-F1106 HydrophobicContact CB-CD1 3.82Å; A1061-F1106 HydrophobicContact CB-CG 4.4Å
1062L95Very high83.4Confident30 Ų3045.8 Ų45.816%0.15723%0.231CC..Hα-helixtrans-64.4-41.2176.5-72.9166.7000112.2R1058 T1059 E1060 T1066 L1083 E1085 P1089R1058-L1062 HydrophobicContact CG-CD1 4.27Å; R1058-L1062 WeakPolarHBondContact O-CG 3.38Å; R1058-L1062 PolarHBondContact O-N 2.84Å; T1059-L1062 PolarHBondContact O-N 3.19Å; E1060-L1062 VanDerWaalsContact C-N 3.32Å; E1060-L1062 PolarHBondContact O-N 3.2Å; L1062-T1066 VanDerWaalsContact O-CB 3.23Å; L1062-T1066 WeakPolarHBondContact O-CB 3.04Å; L1062-T1066 PolarHBondContact O-N 3.5Å; L1062-T1066 PolarHBondContact O-OG1 3.47Å; L1062-L1083 HydrophobicContact CD2-CD2 4.48Å; L1062-E1085 HydrophobicContact CD2-CB 4.44Å; L1062-E1085 HydrophobicContact CD2-CG 3.81Å; L1062-P1089 HydrophobicContact CD2-CB 3.75Å; L1062-P1089 HydrophobicContact CD2-CG 3.88Å; L1062-P1089 HydrophobicContact CG-CB 4.2Å; L1062-P1089 HydrophobicContact CG-CG 3.87Å
1063I93.2Very high85.9Confident34 Ų3445.3 Ų45.317%0.17423%0.228CC..Hα-helixtrans-67.1-47.4178.5-68.9167.2000111Y479 Y482 T1059 E1060 T1066 L1067Y479-I1063 HydrophobicContact CD2-CG2 4.46Å; Y482-I1063 HydrophobicContact CD1-CD1 3.81Å; Y482-I1063 HydrophobicContact CD2-CD1 3.4Å; Y482-I1063 HydrophobicContact CE1-CD1 4.02Å; Y482-I1063 HydrophobicContact CE2-CD1 3.64Å; Y482-I1063 HydrophobicContact CG-CD1 3.49Å; Y482-I1063 VanDerWaalsContact CG-CD1 3.49Å; T1059-I1063 HydrophobicContact CG2-CD1 3.94Å; T1059-I1063 VanDerWaalsContact O-CG1 3.32Å; T1059-I1063 WeakPolarHBondContact O-CG1 3.47Å; T1059-I1063 PolarHBondContact O-N 3.31Å; E1060-I1063 PolarHBondContact O-N 2.93Å; E1060-I1063 VanDerWaalsContact O-N 3.1Å; I1063-T1066 PolarHBondContact O-N 2.98Å; I1063-L1067 PolarHBondContact O-N 3.36Å
1064I93.2Very high87.5Confident2 Ų241.3 Ų41.31%0.0121%0.212CC..Hα-helixtrans-65.7-44.1179.6-61-50.3000111.1Y479 Y1011 L1034 E1060 T1066 L1067 F1068 F1106Y479-I1064 HydrophobicContact CD2-CD1 4.31Å; Y479-I1064 HydrophobicContact CE2-CD1 3.89Å; Y1011-I1064 HydrophobicContact CE1-CG2 4.42Å; Y1011-I1064 VanDerWaalsContact OH-CD1 3.27Å; Y1011-I1064 WeakPolarHBondContact OH-CD1 3.4Å; L1034-I1064 HydrophobicContact CD2-CG2 3.55Å; E1060-I1064 HydrophobicContact CG-CG1 4.31Å; E1060-I1064 WeakPolarHBondContact O-CG1 3.45Å; E1060-I1064 PolarHBondContact O-N 2.67Å; I1064-T1066 VanDerWaalsContact C-N 3.31Å; I1064-T1066 PolarHBondContact O-N 3.21Å; I1064-L1067 WeakPolarHBondContact O-CB 3.18Å; I1064-L1067 PolarHBondContact O-N 3.43Å; I1064-F1068 HydrophobicContact CG2-CD2 4Å; I1064-F1068 HydrophobicContact CG2-CE2 4.11Å; I1064-F1068 WeakPolarHBondContact O-CD2 3.22Å; I1064-F1068 PolarHBondContact O-N 3.19Å; I1064-F1106 HydrophobicContact CB-CD2 4.41Å; I1064-F1106 HydrophobicContact CG1-CE2 4.36Å; I1064-F1106 HydrophobicContact CG1-CZ 4.28Å; I1064-F1106 HydrophobicContact CG2-CD2 4Å; I1064-F1106 HydrophobicContact CG2-CE2 4.16Å
1065L95.5Very high89Confident0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-67.8-31.1176.4-67.1174000112.3A1061 F1068 N1069 L1083 P1089 L1091 L1104 F1106A1061-L1065 VanDerWaalsContact O-CB 3.27Å; A1061-L1065 WeakPolarHBondContact O-CB 3.46Å; A1061-L1065 WeakPolarHBondContact O-CG 3.48Å; A1061-L1065 PolarHBondContact O-N 3.32Å; L1065-F1068 PolarHBondContact O-N 2.97Å; L1065-N1069 WeakPolarHBondContact O-CB 3.03Å; L1065-N1069 PolarHBondContact O-N 3.03Å; L1065-L1083 HydrophobicContact CB-CD1 3.81Å; L1065-L1083 HydrophobicContact CD1-CD1 4.34Å; L1065-P1089 HydrophobicContact CD1-CB 3.96Å; L1065-P1089 WeakPolarHBondContact CD1-O 3.5Å; L1065-L1091 HydrophobicContact CB-CB 4.33Å; L1065-L1091 HydrophobicContact CD2-CB 4.1Å; L1065-L1104 HydrophobicContact CD2-CD2 4.22Å; L1065-L1104 HydrophobicContact CD2-CG 4Å; L1065-L1104 WeakPolarHBondContact CD2-O 3.36Å; L1065-F1106 HydrophobicContact CG-CB 4.35Å
1066T95.6Very high90.3Very high69 Ų6942.3 Ų42.342%0.42322%0.215SC..Hα-helixtrans-66.5-39.7171.3-60.70000111.7L1062 I1063 I1064 N1069 A1070 L1083L1062-T1066 VanDerWaalsContact O-CB 3.23Å; L1062-T1066 WeakPolarHBondContact O-CB 3.04Å; L1062-T1066 PolarHBondContact O-N 3.5Å; L1062-T1066 PolarHBondContact O-OG1 3.47Å; I1063-T1066 PolarHBondContact O-N 2.98Å; I1064-T1066 VanDerWaalsContact C-N 3.31Å; I1064-T1066 PolarHBondContact O-N 3.21Å; T1066-N1069 PolarHBondContact O-N 2.93Å; T1066-A1070 WeakPolarHBondContact O-CB 3.49Å; T1066-A1070 PolarHBondContact O-N 2.81Å; T1066-L1083 WeakPolarHBondContact OG1-CD2 3.45Å
1067L92.3Very high91.3Very high16 Ų1641.1 Ų41.18%0.08421%0.212CC..Hα-helixtrans-63-47.4173.517563.3000111.4A475 M1007 F1008 I1063 I1064 N1069 A1070 V1071A475-L1067 HydrophobicContact CB-CD1 3.59Å; M1007-L1067 HydrophobicContact CE-CD1 4.26Å; M1007-L1067 HydrophobicContact SD-CD1 4.09Å; F1008-L1067 HydrophobicContact CE1-CD2 3.83Å; F1008-L1067 HydrophobicContact CE1-CG 3.82Å; F1008-L1067 HydrophobicContact CZ-CG 4.1Å; I1063-L1067 PolarHBondContact O-N 3.36Å; I1064-L1067 WeakPolarHBondContact O-CB 3.18Å; I1064-L1067 PolarHBondContact O-N 3.43Å; L1067-N1069 PolarHBondContact O-N 3.06Å; L1067-A1070 PolarHBondContact O-N 3.49Å; L1067-V1071 HydrophobicContact CD1-CG2 4.34Å; L1067-V1071 WeakPolarHBondContact O-CG2 3.19Å; L1067-V1071 PolarHBondContact O-N 3.3Å
1068F91.9Very high92.1Very high2 Ų238.4 Ų38.41%0.00920%0.201CC..Hα-helixtrans-60.8-44.2175.5-91.8-105.1000112.1W1002 M1003 F1008 Y1011 L1034 I1064 L1065 A1070 V1071 L1072 L1091 L1104W1002-F1068 HydrophobicContact CZ3-CD1 4.18Å; W1002-F1068 HydrophobicContact CZ3-CE1 4.02Å; M1003-F1068 HydrophobicContact CE-CZ 4.34Å; M1003-F1068 HydrophobicContact CG-CE1 3.98Å; M1003-F1068 HydrophobicContact CG-CZ 4.29Å; M1003-F1068 HydrophobicContact SD-CE1 3.79Å; M1003-F1068 HydrophobicContact SD-CZ 4.09Å; F1008-F1068 HydrophobicContact CB-CZ 4.31Å; F1008-F1068 HydrophobicContact CD1-CD2 4.04Å; F1008-F1068 HydrophobicContact CD1-CE1 4.42Å; F1008-F1068 AromaticContact CD1-CE2 3.28Å; F1008-F1068 HydrophobicContact CD1-CE2 3.28Å; F1008-F1068 AromaticContact CD1-CZ 3.51Å; F1008-F1068 HydrophobicContact CD1-CZ 3.51Å; F1008-F1068 HydrophobicContact CD2-CZ 4.47Å; F1008-F1068 AromaticContact CE1-CD2 3.52Å; F1008-F1068 HydrophobicContact CE1-CD2 3.52Å; F1008-F1068 HydrophobicContact CE1-CE1 4.5Å; F1008-F1068 AromaticContact CE1-CE2 3.27Å; F1008-F1068 HydrophobicContact CE1-CE2 3.27Å; F1008-F1068 HydrophobicContact CE1-CG 4.24Å; F1008-F1068 AromaticContact CE1-CZ 3.82Å; F1008-F1068 HydrophobicContact CE1-CZ 3.82Å; F1008-F1068 HydrophobicContact CG-CE2 4.12Å; F1008-F1068 AromaticContact CG-CZ 3.87Å; F1008-F1068 HydrophobicContact CG-CZ 3.87Å; F1008-F1068 HydrophobicContact CZ-CD2 4.07Å; F1008-F1068 HydrophobicContact CZ-CE2 4.1Å; F1008-F1068 HydrophobicContact CZ-CG 4.37Å; F1008-F1068 HydrophobicContact CZ-CZ 4.42Å; Y1011-F1068 HydrophobicContact CD2-CE2 4.41Å; L1034-F1068 HydrophobicContact CD1-CE1 4.14Å; L1034-F1068 HydrophobicContact CD1-CE2 4.27Å; L1034-F1068 HydrophobicContact CD1-CZ 3.67Å; L1034-F1068 HydrophobicContact CD2-CD2 3.78Å; L1034-F1068 HydrophobicContact CD2-CE1 4.22Å; L1034-F1068 HydrophobicContact CD2-CE2 3.32Å; L1034-F1068 HydrophobicContact CD2-CG 4.41Å; L1034-F1068 HydrophobicContact CD2-CZ 3.58Å; L1034-F1068 HydrophobicContact CG-CE2 4.44Å; L1034-F1068 HydrophobicContact CG-CZ 4.3Å; I1064-F1068 HydrophobicContact CG2-CD2 4Å; I1064-F1068 HydrophobicContact CG2-CE2 4.11Å; I1064-F1068 WeakPolarHBondContact O-CD2 3.22Å; I1064-F1068 PolarHBondContact O-N 3.19Å; L1065-F1068 PolarHBondContact O-N 2.97Å; F1068-A1070 VanDerWaalsContact C-N 3.32Å; F1068-A1070 PolarHBondContact O-N 2.77Å; F1068-V1071 PolarHBondContact O-N 3.39Å; F1068-L1072 HydrophobicContact CB-CD1 4.42Å; F1068-L1072 HydrophobicContact CD1-CD1 4.3Å; F1068-L1072 VanDerWaalsContact O-CB 3.31Å; F1068-L1072 WeakPolarHBondContact O-CB 3.42Å; F1068-L1072 WeakPolarHBondContact O-CG 3.31Å; F1068-L1072 PolarHBondContact O-N 2.88Å; F1068-L1091 HydrophobicContact CB-CD2 4.22Å; F1068-L1104 HydrophobicContact CB-CD2 4.47Å; F1068-L1104 HydrophobicContact CD1-CD2 3.9Å; F1068-L1104 HydrophobicContact CG-CD2 4.34Å
1069N94.2Very high92.4Very high19 Ų1939 Ų3910%0.10221%0.207CC..Hα-helixtrans-56.4-44175.3-173.6-6.1000112L1065 T1066 L1067 V1071 K1073 L1091L1065-N1069 WeakPolarHBondContact O-CB 3.03Å; L1065-N1069 PolarHBondContact O-N 3.03Å; T1066-N1069 PolarHBondContact O-N 2.93Å; L1067-N1069 PolarHBondContact O-N 3.06Å; N1069-V1071 PolarHBondContact O-N 3.17Å; N1069-K1073 WeakPolarHBondContact O-CB 3.22Å; N1069-K1073 WeakPolarHBondContact O-CD 3.44Å; N1069-K1073 VanDerWaalsContact O-CG 3.29Å; N1069-K1073 WeakPolarHBondContact O-CG 3.42Å; N1069-K1073 PolarHBondContact O-N 3.04Å; N1069-K1073 WeakPolarHBondContact OD1-CE 3.45Å; N1069-K1073 PolarHBondContact OD1-NZ 3.13Å; N1069-L1091 HydrophobicContact CB-CD1 3.66Å; N1069-L1091 HydrophobicContact CB-CD2 3.8Å; N1069-L1091 HydrophobicContact CB-CG 4.39Å
1070A92.1Very high92.7Very high41 Ų4140.6 Ų40.634%0.33921%0.212SC..Hα-helixtrans-64.9-36.6179.800000113.3T1066 L1067 F1068T1066-A1070 WeakPolarHBondContact O-CB 3.49Å; T1066-A1070 PolarHBondContact O-N 2.81Å; L1067-A1070 PolarHBondContact O-N 3.49Å; F1068-A1070 VanDerWaalsContact C-N 3.32Å; F1068-A1070 PolarHBondContact O-N 2.77Å
1071V90.1Very high93Very high6 Ų639.2 Ų39.24%0.03621%0.205CC..Hα-helixtrans-92-35.9-174.8-168.90000112.3Y472 W1002 M1007 F1008 L1067 F1068 N1069 K1073 D1074Y472-V1071 HydrophobicContact CD1-CG2 4.42Å; Y472-V1071 HydrophobicContact CE1-CG1 3.54Å; Y472-V1071 HydrophobicContact CE1-CG2 4.05Å; Y472-V1071 WeakPolarHBondContact OH-CG1 3.41Å; W1002-V1071 HydrophobicContact CH2-CB 4.14Å; W1002-V1071 HydrophobicContact CH2-CG1 4.07Å; W1002-V1071 HydrophobicContact CZ2-CB 4.16Å; W1002-V1071 HydrophobicContact CZ2-CG1 3.71Å; M1007-V1071 HydrophobicContact CE-CG2 3.69Å; F1008-V1071 HydrophobicContact CE2-CB 4.14Å; F1008-V1071 HydrophobicContact CE2-CG1 4.14Å; F1008-V1071 HydrophobicContact CE2-CG2 4.28Å; F1008-V1071 HydrophobicContact CZ-CB 4.18Å; F1008-V1071 HydrophobicContact CZ-CG2 3.99Å; L1067-V1071 HydrophobicContact CD1-CG2 4.34Å; L1067-V1071 WeakPolarHBondContact O-CG2 3.19Å; L1067-V1071 PolarHBondContact O-N 3.3Å; F1068-V1071 PolarHBondContact O-N 3.39Å; N1069-V1071 PolarHBondContact O-N 3.17Å; V1071-K1073 PolarHBondContact O-N 3Å; V1071-D1074 PolarHBondContact O-N 3.14Å; V1071-D1074 VanDerWaalsContact O-N 3.09Å
1072L91.4Very high93.2Very high1 Ų143.1 Ų43.11%0.00523%0.226CC..Hα-helixtrans-63.1-31174.5-74169.4000111.8L999 W1002 F1068 D1074 T1075 F1078 F1081 L1091 F1093L999-L1072 HydrophobicContact CD2-CD2 3.81Å; W1002-L1072 HydrophobicContact CD2-CD2 4.25Å; W1002-L1072 HydrophobicContact CE3-CD2 4.09Å; W1002-L1072 HydrophobicContact CH2-CD2 3.49Å; W1002-L1072 VanDerWaalsContact CH2-CD2 3.49Å; W1002-L1072 HydrophobicContact CH2-CG 3.62Å; W1002-L1072 HydrophobicContact CZ2-CD2 3.62Å; W1002-L1072 HydrophobicContact CZ2-CG 4.02Å; W1002-L1072 HydrophobicContact CZ3-CD2 3.75Å; W1002-L1072 HydrophobicContact CZ3-CG 4.15Å; F1068-L1072 HydrophobicContact CB-CD1 4.42Å; F1068-L1072 HydrophobicContact CD1-CD1 4.3Å; F1068-L1072 VanDerWaalsContact O-CB 3.31Å; F1068-L1072 WeakPolarHBondContact O-CB 3.42Å; F1068-L1072 WeakPolarHBondContact O-CG 3.31Å; F1068-L1072 PolarHBondContact O-N 2.88Å; L1072-D1074 PolarHBondContact O-N 3.33Å; L1072-T1075 WeakPolarHBondContact O-CB 3.4Å; L1072-T1075 WeakPolarHBondContact O-CG2 3.41Å; L1072-T1075 PolarHBondContact O-N 2.68Å; L1072-T1075 PolarHBondContact O-OG1 3.25Å; L1072-F1078 HydrophobicContact CD2-CD2 4.13Å; L1072-F1078 HydrophobicContact CD2-CE2 3.97Å; L1072-F1081 HydrophobicContact CB-CE1 3.57Å; L1072-F1081 HydrophobicContact CB-CZ 3.7Å; L1072-F1081 HydrophobicContact CD1-CE1 4.46Å; L1072-L1091 HydrophobicContact CD1-CD2 4.4Å; L1072-F1093 HydrophobicContact CD1-CE1 4.14Å; L1072-F1093 HydrophobicContact CD1-CE2 4.31Å; L1072-F1093 HydrophobicContact CD1-CZ 3.88Å
1073K91.7Very high93.3Very high97 Ų9743.7 Ų43.742%0.42223%0.229SC..G310 helixtrans-60.6-25.9172.6-86173.2171.2153.40114.4N1069 V1071 T1075 F1081N1069-K1073 WeakPolarHBondContact O-CB 3.22Å; N1069-K1073 WeakPolarHBondContact O-CD 3.44Å; N1069-K1073 VanDerWaalsContact O-CG 3.29Å; N1069-K1073 WeakPolarHBondContact O-CG 3.42Å; N1069-K1073 PolarHBondContact O-N 3.04Å; N1069-K1073 WeakPolarHBondContact OD1-CE 3.45Å; N1069-K1073 PolarHBondContact OD1-NZ 3.13Å; V1071-K1073 PolarHBondContact O-N 3Å; K1073-T1075 VanDerWaalsContact C-N 3.26Å; K1073-T1075 PolarHBondContact O-N 2.9Å; K1073-F1081 HydrophobicContact CB-CE2 4.33Å; K1073-F1081 HydrophobicContact CD-CD2 4.3Å; K1073-F1081 HydrophobicContact CD-CG 4.35Å; K1073-F1081 HydrophobicContact CG-CD1 4.25Å; K1073-F1081 HydrophobicContact CG-CD2 3.47Å; K1073-F1081 VanDerWaalsContact CG-CD2 3.47Å; K1073-F1081 HydrophobicContact CG-CE1 4.3Å; K1073-F1081 HydrophobicContact CG-CE2 3.51Å; K1073-F1081 HydrophobicContact CG-CG 3.85Å; K1073-F1081 HydrophobicContact CG-CZ 3.94Å
1074D87.9Confident93.4Very high30 Ų3044.4 Ų44.416%0.1623%0.233CC..G310 helixtrans-89.112.7-179-67.92.9000112.3Q468 R471 V1071 L1072Q468-D1074 HydrophobicContact CG-CB 4.33Å; R471-D1074 WeakPolarHBondContact CD-OD1 3.4Å; R471-D1074 WeakPolarHBondContact CD-OD2 3.5Å; R471-D1074 IonicContact CZ-OD1 2.84Å; R471-D1074 IonicContact NE-OD1 3.85Å; R471-D1074 IonicContact NH1-OD1 2.76Å; R471-D1074 PolarHBondContact NH1-OD1 2.93Å; V1071-D1074 PolarHBondContact O-N 3.14Å; V1071-D1074 VanDerWaalsContact O-N 3.09Å; L1072-D1074 PolarHBondContact O-N 3.33Å
1075T88.5Confident93.3Very high29 Ų2950.4 Ų50.418%0.17826%0.26CS..G310 helixtrans-100-15.5-177.965.70000115.2W1002 L1072 K1073 V1077 F1078W1002-T1075 HydrophobicContact CZ2-CG2 4.08Å; W1002-T1075 VanDerWaalsContact NE1-CG2 3.31Å; L1072-T1075 WeakPolarHBondContact O-CB 3.4Å; L1072-T1075 WeakPolarHBondContact O-CG2 3.41Å; L1072-T1075 PolarHBondContact O-N 2.68Å; L1072-T1075 PolarHBondContact O-OG1 3.25Å; K1073-T1075 VanDerWaalsContact C-N 3.26Å; K1073-T1075 PolarHBondContact O-N 2.9Å; T1075-V1077 PolarHBondContact O-N 2.82Å; T1075-F1078 WeakPolarHBondContact OG1-CD2 3.48Å
1076E89.4Confident92.9Very high179 Ų17952.6 Ų52.684%0.83628%0.279SS*.SBendtrans58.40-175.1-57.5-177.4177.500116.2I1096E1076-I1096 WeakPolarHBondContact O-CD1 3.36Å
1077V93.2Very high92.3Very high44 Ų4453.6 Ų53.627%0.26728%0.275SS..SBendtrans-84.5-19.1175173.70000112.6Y998 T1075 I1096Y998-V1077 HydrophobicContact CE1-CG1 4.34Å; T1075-V1077 PolarHBondContact O-N 2.82Å; V1077-I1096 WeakPolarHBondContact O-CG1 3.45Å; V1077-I1096 PolarHBondContact O-N 3.21Å; V1077-I1096 VanDerWaalsContact O-N 3.09Å
1078F96.4Very high92.1Very high12 Ų1255.3 Ų55.35%0.05329%0.286CS..EExtended strand (participates in β ladder)trans-125.4146.1-168.6-64.6-61.4000113.5L995 Y998 L999 L1072 T1075 F1081 F1093 K1094 D1095L995-F1078 HydrophobicContact CD1-CE1 3.78Å; L995-F1078 HydrophobicContact CD1-CZ 3.84Å; Y998-F1078 HydrophobicContact CD1-CE2 4.38Å; Y998-F1078 HydrophobicContact CD1-CZ 4.24Å; Y998-F1078 AromaticContact CE1-CE2 3.92Å; Y998-F1078 HydrophobicContact CE1-CE2 3.92Å; Y998-F1078 HydrophobicContact CE1-CZ 4.21Å; L999-F1078 HydrophobicContact CD1-CZ 4.42Å; L999-F1078 HydrophobicContact CD2-CE2 3.78Å; L999-F1078 HydrophobicContact CD2-CZ 3.71Å; L999-F1078 HydrophobicContact CG-CZ 4.1Å; L1072-F1078 HydrophobicContact CD2-CD2 4.13Å; L1072-F1078 HydrophobicContact CD2-CE2 3.97Å; T1075-F1078 WeakPolarHBondContact OG1-CD2 3.48Å; F1078-F1081 HydrophobicContact CB-CE1 4.39Å; F1078-F1081 HydrophobicContact CB-CE2 3.69Å; F1078-F1081 HydrophobicContact CB-CZ 3.42Å; F1078-F1081 VanDerWaalsContact CB-CZ 3.42Å; F1078-F1081 HydrophobicContact CG-CZ 4.35Å; F1078-F1081 WeakPolarHBondContact O-CE2 3.47Å; F1078-F1093 HydrophobicContact CB-CD2 4.11Å; F1078-F1093 AromaticContact CD1-CD2 3.52Å; F1078-F1093 HydrophobicContact CD1-CD2 3.52Å; F1078-F1093 AromaticContact CD1-CE2 3.66Å; F1078-F1093 HydrophobicContact CD1-CE2 3.66Å; F1078-F1093 HydrophobicContact CD2-CD2 4.4Å; F1078-F1093 HydrophobicContact CD2-CE2 4.23Å; F1078-F1093 HydrophobicContact CE1-CD2 4.01Å; F1078-F1093 AromaticContact CE1-CE2 3.66Å; F1078-F1093 HydrophobicContact CE1-CE2 3.66Å; F1078-F1093 HydrophobicContact CE2-CE2 4.22Å; F1078-F1093 AromaticContact CG-CD2 3.76Å; F1078-F1093 HydrophobicContact CG-CD2 3.76Å; F1078-F1093 AromaticContact CG-CE2 3.97Å; F1078-F1093 HydrophobicContact CG-CE2 3.97Å; F1078-F1093 AromaticContact CZ-CE2 3.96Å; F1078-F1093 HydrophobicContact CZ-CE2 3.96Å; F1078-K1094 CarbonylContact C-O 3.6Å; F1078-K1094 VanDerWaalsContact CA-O 3.31Å; F1078-K1094 WeakPolarHBondContact CA-O 3.21Å; F1078-D1095 HydrophobicContact CD1-CB 4.33Å; F1078-D1095 HydrophobicContact CE1-CB 4.08Å
1079Q96Very high92.3Very high79 Ų7955.5 Ų55.537%0.36929%0.287SS..EExtended strand (participates in β ladder)trans-132.5-173.9175.366.7172.958.800112.3F1081 K1094 I1096Q1079-F1081 PolarHBondContact O-N 3.44Å; Q1079-F1081 VanDerWaalsContact O-N 3.1Å; Q1079-K1094 HydrophobicContact CG-CB 4.11Å; Q1079-K1094 PolarHBondContact N-O 2.91Å; Q1079-K1094 PolarHBondContact O-N 3.24Å; Q1079-I1096 HydrophobicContact CB-CD1 4.21Å; Q1079-I1096 HydrophobicContact CB-CG1 3.97Å; Q1079-I1096 HydrophobicContact CG-CG1 3.75Å
1080D96.4Very high92.4Very high94 Ų9456.5 Ų56.550%0.50329%0.292SS..EExtended strand (participates in β ladder)trans56.427.8170.2-54.2-25.8000116.2N1082 K1094D1080-N1082 PolarHBondContact O-N 3.29Å; D1080-K1094 HydrophobicContact CB-CB 4.14Å; D1080-K1094 WeakPolarHBondContact OD2-CD 3.46Å
1081F97.1Very high92.7Very high35 Ų3554.5 Ų54.515%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-59.7115.1-178.8-72.6-86000114.5L1072 K1073 F1078 Q1079 L1091 R1092 F1093L1072-F1081 HydrophobicContact CB-CE1 3.57Å; L1072-F1081 HydrophobicContact CB-CZ 3.7Å; L1072-F1081 HydrophobicContact CD1-CE1 4.46Å; K1073-F1081 HydrophobicContact CB-CE2 4.33Å; K1073-F1081 HydrophobicContact CD-CD2 4.3Å; K1073-F1081 HydrophobicContact CD-CG 4.35Å; K1073-F1081 HydrophobicContact CG-CD1 4.25Å; K1073-F1081 HydrophobicContact CG-CD2 3.47Å; K1073-F1081 VanDerWaalsContact CG-CD2 3.47Å; K1073-F1081 HydrophobicContact CG-CE1 4.3Å; K1073-F1081 HydrophobicContact CG-CE2 3.51Å; K1073-F1081 HydrophobicContact CG-CG 3.85Å; K1073-F1081 HydrophobicContact CG-CZ 3.94Å; F1078-F1081 HydrophobicContact CB-CE1 4.39Å; F1078-F1081 HydrophobicContact CB-CE2 3.69Å; F1078-F1081 HydrophobicContact CB-CZ 3.42Å; F1078-F1081 VanDerWaalsContact CB-CZ 3.42Å; F1078-F1081 HydrophobicContact CG-CZ 4.35Å; F1078-F1081 WeakPolarHBondContact O-CE2 3.47Å; Q1079-F1081 PolarHBondContact O-N 3.44Å; Q1079-F1081 VanDerWaalsContact O-N 3.1Å; F1081-L1091 HydrophobicContact CD1-CD1 4.39Å; F1081-R1092 CarbonylContact C-O 3.53Å; F1081-R1092 WeakPolarHBondContact CA-O 3.37Å; F1081-F1093 HydrophobicContact CD1-CB 3.53Å; F1081-F1093 HydrophobicContact CD1-CG 4.15Å; F1081-F1093 HydrophobicContact CE1-CB 3.71Å; F1081-F1093 HydrophobicContact CE1-CD1 4.48Å; F1081-F1093 HydrophobicContact CE1-CD2 4.22Å; F1081-F1093 AromaticContact CE1-CG 3.92Å; F1081-F1093 HydrophobicContact CE1-CG 3.92Å; F1081-F1093 HydrophobicContact CG-CB 4.02Å; F1081-F1093 HydrophobicContact CZ-CB 4.35Å
1082N96.6Very high93Very high87 Ų8756.4 Ų56.447%0.46528%0.282SS..EExtended strand (participates in β ladder)trans-133.1120.4179.4-177.612.1000111D1080 R1092D1080-N1082 PolarHBondContact O-N 3.29Å; N1082-R1092 PolarHBondContact N-O 2.88Å; N1082-R1092 PolarHBondContact O-N 3.43Å
1083L96.7Very high93.3Very high41 Ų4156.5 Ų56.522%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-92.7106.8174.1-178.662.4000109.6L1062 L1065 T1066 L1091L1062-L1083 HydrophobicContact CD2-CD2 4.48Å; L1065-L1083 HydrophobicContact CB-CD1 3.81Å; L1065-L1083 HydrophobicContact CD1-CD1 4.34Å; T1066-L1083 WeakPolarHBondContact OG1-CD2 3.45Å; L1083-L1091 HydrophobicContact CB-CD1 4.46Å; L1083-L1091 HydrophobicContact CD1-CB 4.31Å
1084I94.4Very high93.6Very high50 Ų5054.5 Ų54.526%0.25627%0.274SS..EExtended strand (participates in β ladder)trans-93.2108.1-176.3-55.1174.4000109A1086 P1089 I1090 R1092I1084-A1086 HydrophobicContact CG2-CB 4.09Å; I1084-A1086 PolarHBondContact O-N 2.97Å; I1084-P1089 WeakPolarHBondContact O-CA 3.42Å; I1084-I1090 PolarHBondContact N-O 3.36Å; I1084-I1090 PolarHBondContact O-N 3.24Å; I1084-R1092 HydrophobicContact CD1-CB 4.26Å
1085E92.4Very high94Very high127 Ų12753.1 Ų53.159%0.59327%0.267SS*.  trans-7635.1-179.2-60.7-161.5-149.100114.7R1058 L1062R1058-E1085 PolarHBondContact NH2-O 3.32Å; R1058-E1085 IonicContact NH2-OE2 3.97Å; L1062-E1085 HydrophobicContact CD2-CB 4.44Å; L1062-E1085 HydrophobicContact CD2-CG 3.81Å
1086A87.2Confident94.3Very high47 Ų4755.8 Ų55.839%0.38828%0.279SS..SBendtrans-62.3171.6174.900000112.3R1058 I1084 V1088R1058-A1086 PolarHBondContact NH1-O 3.05Å; I1084-A1086 HydrophobicContact CG2-CB 4.09Å; I1084-A1086 PolarHBondContact O-N 2.97Å; A1086-V1088 CarbonylContact C-O 3.52Å; A1086-V1088 CarbonylContact O-C 3.54Å; A1086-V1088 PolarHBondContact O-N 2.94Å; A1086-V1088 VanDerWaalsContact O-N 3.1Å
1087R82.6Confident94.5Very high89 Ų8951.7 Ų51.734%0.33627%0.27SS..SBendtrans-49.3-42.4-175.6-179.2175.8176.5179.10.8112.5R1058 K1253 R1275R1058-R1087 PolarHBondContact NH1-O 3.44Å; R1087-K1253 PolarHBondContact NH1-O 2.82Å; R1087-K1253 PolarHBondContact NH2-O 2.96Å; R1087-R1275 VanDerWaalsContact NH1-NH1 3.13Å
1088V88.9Confident94.6Very high52 Ų5252.4 Ų52.432%0.31527%0.273SS..SBendtrans-97.4118.4157.2178.30000106.3A1086 N1105 N1108A1086-V1088 CarbonylContact C-O 3.52Å; A1086-V1088 CarbonylContact O-C 3.54Å; A1086-V1088 PolarHBondContact O-N 2.94Å; A1086-V1088 VanDerWaalsContact O-N 3.1Å; V1088-N1105 HydrophobicContact CG1-CB 4.06Å; V1088-N1108 HydrophobicContact CG1-CB 4.44Å
1089P94.8Very high94.5Very high6 Ų653.8 Ų53.84%0.03929%0.29CS..  trans-64.6141.3174.7-24.436.1000111.9R1058 A1061 L1062 L1065 I1084R1058-P1089 HydrophobicContact CG-CG 4.27Å; A1061-P1089 HydrophobicContact CB-CG 4.13Å; L1062-P1089 HydrophobicContact CD2-CB 3.75Å; L1062-P1089 HydrophobicContact CD2-CG 3.88Å; L1062-P1089 HydrophobicContact CG-CB 4.2Å; L1062-P1089 HydrophobicContact CG-CG 3.87Å; L1065-P1089 HydrophobicContact CD1-CB 3.96Å; L1065-P1089 WeakPolarHBondContact CD1-O 3.5Å; I1084-P1089 WeakPolarHBondContact O-CA 3.42Å
1090I96.6Very high94.5Very high40 Ų4050.5 Ų50.521%0.20528%0.275CS..EExtended strand (participates in β ladder)trans-134.8129.3-179.6-54.9177.2000109.3I1084 D1103 L1104 N1105I1084-I1090 PolarHBondContact N-O 3.36Å; I1084-I1090 PolarHBondContact O-N 3.24Å; I1090-D1103 HydrophobicContact CG2-CB 3.82Å; I1090-D1103 VanDerWaalsContact CG2-CG 3.46Å; I1090-D1103 WeakPolarHBondContact CG2-OD1 3.34Å; I1090-L1104 CarbonylContact C-O 3.43Å; I1090-L1104 WeakPolarHBondContact CA-O 3.43Å; I1090-N1105 HydrophobicContact CG1-CB 4.34Å
1091L97.8Very high94.6Very high0 Ų049.3 Ų49.30%027%0.266CS..EExtended strand (participates in β ladder)trans-91105.4164.1177.363.5000108.5L1065 F1068 N1069 L1072 F1081 L1083 F1093 L1104L1065-L1091 HydrophobicContact CB-CB 4.33Å; L1065-L1091 HydrophobicContact CD2-CB 4.1Å; F1068-L1091 HydrophobicContact CB-CD2 4.22Å; N1069-L1091 HydrophobicContact CB-CD1 3.66Å; N1069-L1091 HydrophobicContact CB-CD2 3.8Å; N1069-L1091 HydrophobicContact CB-CG 4.39Å; L1072-L1091 HydrophobicContact CD1-CD2 4.4Å; F1081-L1091 HydrophobicContact CD1-CD1 4.39Å; L1083-L1091 HydrophobicContact CB-CD1 4.46Å; L1083-L1091 HydrophobicContact CD1-CB 4.31Å; L1091-F1093 HydrophobicContact CD2-CD1 4.35Å; L1091-F1093 HydrophobicContact CD2-CE1 4.45Å; L1091-F1093 HydrophobicContact CG-CD1 4.04Å; L1091-F1093 HydrophobicContact CG-CE1 4.48Å; L1091-L1104 HydrophobicContact CB-CB 4.45Å; L1091-L1104 PolarHBondContact N-O 3.26Å; L1091-L1104 PolarHBondContact O-N 3.18Å
1092R97.9Very high94.6Very high45 Ų4547.7 Ų47.717%0.1726%0.259CS..EExtended strand (participates in β ladder)trans-86.3138.6169.6-174165.5-76.3-124.5-6.9109.8D1029 F1081 N1082 I1084 E1101 V1102 D1103D1029-R1092 IonicContact OD2-CZ 2.7Å; D1029-R1092 IonicContact OD2-NH1 2.7Å; D1029-R1092 PolarHBondContact OD2-NH1 3.3Å; D1029-R1092 IonicContact OD2-NH2 3.57Å; D1029-R1092 PolarHBondContact OD2-NH2 3.26Å; F1081-R1092 CarbonylContact C-O 3.53Å; F1081-R1092 WeakPolarHBondContact CA-O 3.37Å; N1082-R1092 PolarHBondContact N-O 2.88Å; N1082-R1092 PolarHBondContact O-N 3.43Å; I1084-R1092 HydrophobicContact CD1-CB 4.26Å; R1092-E1101 WeakPolarHBondContact CD-OE2 3.44Å; R1092-E1101 IonicContact CZ-OE2 2.66Å; R1092-E1101 IonicContact NE-OE2 3.76Å; R1092-E1101 IonicContact NH1-OE2 2.68Å; R1092-E1101 PolarHBondContact NH1-OE2 2.91Å; R1092-V1102 VanDerWaalsContact CA-O 3.31Å; R1092-V1102 WeakPolarHBondContact CA-O 3.34Å; R1092-D1103 WeakPolarHBondContact CB-OD1 3.45Å; R1092-D1103 WeakPolarHBondContact CG-OD1 3.33Å; R1092-D1103 IonicContact CZ-OD1 2.81Å; R1092-D1103 IonicContact CZ-OD2 3.21Å; R1092-D1103 IonicContact NE-OD1 3.66Å; R1092-D1103 PolarHBondContact NE-OD1 2.86Å; R1092-D1103 IonicContact NE-OD2 3.89Å; R1092-D1103 IonicContact NH2-OD1 3.5Å; R1092-D1103 PolarHBondContact NH2-OD1 3.02Å; R1092-D1103 IonicContact NH2-OD2 2.69Å; R1092-D1103 PolarHBondContact NH2-OD2 3Å
1093F97.7Very high94.7Very high3 Ų344.4 Ų44.41%0.01324%0.241CC..EExtended strand (participates in β ladder)trans-156.3174.6171.758.7-79.4000109.8L999 L1072 F1078 F1081 L1091 V1102 L1104L999-F1093 HydrophobicContact CD1-CZ 4.4Å; L1072-F1093 HydrophobicContact CD1-CE1 4.14Å; L1072-F1093 HydrophobicContact CD1-CE2 4.31Å; L1072-F1093 HydrophobicContact CD1-CZ 3.88Å; F1078-F1093 HydrophobicContact CB-CD2 4.11Å; F1078-F1093 AromaticContact CD1-CD2 3.52Å; F1078-F1093 HydrophobicContact CD1-CD2 3.52Å; F1078-F1093 AromaticContact CD1-CE2 3.66Å; F1078-F1093 HydrophobicContact CD1-CE2 3.66Å; F1078-F1093 HydrophobicContact CD2-CD2 4.4Å; F1078-F1093 HydrophobicContact CD2-CE2 4.23Å; F1078-F1093 HydrophobicContact CE1-CD2 4.01Å; F1078-F1093 AromaticContact CE1-CE2 3.66Å; F1078-F1093 HydrophobicContact CE1-CE2 3.66Å; F1078-F1093 HydrophobicContact CE2-CE2 4.22Å; F1078-F1093 AromaticContact CG-CD2 3.76Å; F1078-F1093 HydrophobicContact CG-CD2 3.76Å; F1078-F1093 AromaticContact CG-CE2 3.97Å; F1078-F1093 HydrophobicContact CG-CE2 3.97Å; F1078-F1093 AromaticContact CZ-CE2 3.96Å; F1078-F1093 HydrophobicContact CZ-CE2 3.96Å; F1081-F1093 HydrophobicContact CD1-CB 3.53Å; F1081-F1093 HydrophobicContact CD1-CG 4.15Å; F1081-F1093 HydrophobicContact CE1-CB 3.71Å; F1081-F1093 HydrophobicContact CE1-CD1 4.48Å; F1081-F1093 HydrophobicContact CE1-CD2 4.22Å; F1081-F1093 AromaticContact CE1-CG 3.92Å; F1081-F1093 HydrophobicContact CE1-CG 3.92Å; F1081-F1093 HydrophobicContact CG-CB 4.02Å; F1081-F1093 HydrophobicContact CZ-CB 4.35Å; L1091-F1093 HydrophobicContact CD2-CD1 4.35Å; L1091-F1093 HydrophobicContact CD2-CE1 4.45Å; L1091-F1093 HydrophobicContact CG-CD1 4.04Å; L1091-F1093 HydrophobicContact CG-CE1 4.48Å; F1093-V1102 HydrophobicContact CD1-CB 4.18Å; F1093-V1102 HydrophobicContact CD1-CG1 4.39Å; F1093-V1102 HydrophobicContact CD2-CB 4.1Å; F1093-V1102 HydrophobicContact CD2-CG2 4.2Å; F1093-V1102 HydrophobicContact CE1-CB 3.95Å; F1093-V1102 HydrophobicContact CE1-CG1 3.68Å; F1093-V1102 HydrophobicContact CE2-CB 3.86Å; F1093-V1102 HydrophobicContact CE2-CG1 3.97Å; F1093-V1102 HydrophobicContact CE2-CG2 3.91Å; F1093-V1102 HydrophobicContact CG-CB 4.27Å; F1093-V1102 HydrophobicContact CZ-CB 3.79Å; F1093-V1102 HydrophobicContact CZ-CG1 3.44Å; F1093-V1102 VanDerWaalsContact CZ-CG1 3.44Å; F1093-V1102 HydrophobicContact CZ-CG2 4.27Å; F1093-V1102 PolarHBondContact N-O 3.41Å; F1093-V1102 PolarHBondContact O-N 3.03Å; F1093-L1104 HydrophobicContact CE1-CB 4Å
1094K97.6Very high94.7Very high55 Ų5542.6 Ų42.624%0.23923%0.232CC..EExtended strand (participates in β ladder)trans-133.2130.8-174.2-172.1173.1-171.8162.80112.1F1078 Q1079 D1080 I1096 G1099 I1100 E1101F1078-K1094 CarbonylContact C-O 3.6Å; F1078-K1094 VanDerWaalsContact CA-O 3.31Å; F1078-K1094 WeakPolarHBondContact CA-O 3.21Å; Q1079-K1094 HydrophobicContact CG-CB 4.11Å; Q1079-K1094 PolarHBondContact N-O 2.91Å; Q1079-K1094 PolarHBondContact O-N 3.24Å; D1080-K1094 HydrophobicContact CB-CB 4.14Å; D1080-K1094 WeakPolarHBondContact OD2-CD 3.46Å; K1094-I1096 PolarHBondContact O-N 2.89Å; K1094-G1099 WeakPolarHBondContact CE-O 3.44Å; K1094-I1100 WeakPolarHBondContact CA-O 3.07Å; K1094-E1101 HydrophobicContact CB-CG 4.44Å; K1094-E1101 HydrophobicContact CD-CG 4.21Å; K1094-E1101 HydrophobicContact CG-CG 4.22Å
1095D96.3Very high94.7Very high1 Ų140.8 Ų40.81%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-67.6121.7166.6162.938000109.7L995 F1078 S1097 N1098 G1099 I1100L995-D1095 HydrophobicContact CD1-CB 4.22Å; L995-D1095 HydrophobicContact CD2-CB 3.84Å; F1078-D1095 HydrophobicContact CD1-CB 4.33Å; F1078-D1095 HydrophobicContact CE1-CB 4.08Å; D1095-S1097 VanDerWaalsContact C-N 3.3Å; D1095-S1097 VanDerWaalsContact CG-OG 3.31Å; D1095-S1097 PolarHBondContact O-N 3.32Å; D1095-S1097 WeakPolarHBondContact OD1-CB 3.34Å; D1095-S1097 PolarHBondContact OD1-N 3.42Å; D1095-S1097 PolarHBondContact OD1-OG 3.4Å; D1095-S1097 PolarHBondContact OD2-OG 3.12Å; D1095-N1098 WeakPolarHBondContact OD2-CA 3.35Å; D1095-N1098 WeakPolarHBondContact OD2-CB 3.43Å; D1095-N1098 PolarHBondContact OD2-N 3.09Å; D1095-N1098 PolarHBondContact OD2-ND2 3.41Å; D1095-G1099 VanDerWaalsContact O-CA 3.23Å; D1095-G1099 WeakPolarHBondContact O-CA 3.42Å; D1095-G1099 PolarHBondContact O-N 2.99Å; D1095-I1100 HydrophobicContact CB-CB 4.48Å; D1095-I1100 PolarHBondContact N-O 3.43Å
1096I95.4Very high94.8Very high86 Ų8635.2 Ų35.244%0.44120%0.197SC..THydrogen-bonded Turntrans-66.7-35.4180-61.4171.4000110.6E1076 V1077 Q1079 K1094E1076-I1096 WeakPolarHBondContact O-CD1 3.36Å; V1077-I1096 WeakPolarHBondContact O-CG1 3.45Å; V1077-I1096 PolarHBondContact O-N 3.21Å; V1077-I1096 VanDerWaalsContact O-N 3.09Å; Q1079-I1096 HydrophobicContact CB-CD1 4.21Å; Q1079-I1096 HydrophobicContact CB-CG1 3.97Å; Q1079-I1096 HydrophobicContact CG-CG1 3.75Å; K1094-I1096 PolarHBondContact O-N 2.89Å
1097S93.1Very high95Very high92 Ų9235.2 Ų35.264%0.64319%0.19SC*.THydrogen-bonded Turntrans-76.8-41.1-167.566.40000114.1D1095D1095-S1097 VanDerWaalsContact C-N 3.3Å; D1095-S1097 VanDerWaalsContact CG-OG 3.31Å; D1095-S1097 PolarHBondContact O-N 3.32Å; D1095-S1097 WeakPolarHBondContact OD1-CB 3.34Å; D1095-S1097 PolarHBondContact OD1-N 3.42Å; D1095-S1097 PolarHBondContact OD1-OG 3.4Å; D1095-S1097 PolarHBondContact OD2-OG 3.12Å
1098N93.9Very high95.4Very high60 Ų6032.8 Ų32.832%0.32118%0.184SC..THydrogen-bonded Turntrans-109.9-0.8178.3-51-86.1000113.1L991 D1095 I1100L991-N1098 WeakPolarHBondContact CD2-OD1 3.42Å; D1095-N1098 WeakPolarHBondContact OD2-CA 3.35Å; D1095-N1098 WeakPolarHBondContact OD2-CB 3.43Å; D1095-N1098 PolarHBondContact OD2-N 3.09Å; D1095-N1098 PolarHBondContact OD2-ND2 3.41Å; N1098-I1100 VanDerWaalsContact C-N 3.28Å; N1098-I1100 HydrophobicContact CB-CD1 3.7Å; N1098-I1100 HydrophobicContact CB-CG1 3.86Å; N1098-I1100 PolarHBondContact O-N 3.04Å
1099G95.2Very high95.4Very high40 Ų4031.5 Ų31.541%0.41218%0.177SC..  trans68.521.1-17900000114.7K1094 D1095K1094-G1099 WeakPolarHBondContact CE-O 3.44Å; D1095-G1099 VanDerWaalsContact O-CA 3.23Å; D1095-G1099 WeakPolarHBondContact O-CA 3.42Å; D1095-G1099 PolarHBondContact O-N 2.99Å
1100I96.6Very high95.2Very high10 Ų1032.6 Ų32.65%0.05118%0.183CC..  trans-85.8125.7-173.6-61.8170.5000110.3L991 K992 L995 I1030 K1094 D1095 N1098L991-I1100 HydrophobicContact CB-CD1 4.39Å; K992-I1100 HydrophobicContact CG-CD1 4Å; L995-I1100 HydrophobicContact CD2-CB 4.25Å; L995-I1100 HydrophobicContact CD2-CG2 4.2Å; I1030-I1100 HydrophobicContact CB-CG2 4.2Å; I1030-I1100 HydrophobicContact CG2-CG2 3.69Å; K1094-I1100 WeakPolarHBondContact CA-O 3.07Å; D1095-I1100 HydrophobicContact CB-CB 4.48Å; D1095-I1100 PolarHBondContact N-O 3.43Å; N1098-I1100 VanDerWaalsContact C-N 3.28Å; N1098-I1100 HydrophobicContact CB-CD1 3.7Å; N1098-I1100 HydrophobicContact CB-CG1 3.86Å; N1098-I1100 PolarHBondContact O-N 3.04Å
1101E97.5Very high95Very high70 Ų7031.6 Ų31.633%0.32718%0.183SC..EExtended strand (participates in β ladder)trans-78.8134.6169.9-71-173-143.300111.3I1030 R1092 K1094I1030-E1101 PolarHBondContact N-O 3.48Å; R1092-E1101 WeakPolarHBondContact CD-OE2 3.44Å; R1092-E1101 IonicContact CZ-OE2 2.66Å; R1092-E1101 IonicContact NE-OE2 3.76Å; R1092-E1101 IonicContact NH1-OE2 2.68Å; R1092-E1101 PolarHBondContact NH1-OE2 2.91Å; K1094-E1101 HydrophobicContact CB-CG 4.44Å; K1094-E1101 HydrophobicContact CD-CG 4.21Å; K1094-E1101 HydrophobicContact CG-CG 4.22Å
1102V97.7Very high94.7Very high0 Ų031.7 Ų31.70%018%0.183CC..EExtended strand (participates in β ladder)trans-116.9127.7-176.3-172.40000108.9L995 I1030 M1032 R1092 F1093L995-V1102 HydrophobicContact CD2-CG2 4.06Å; I1030-V1102 HydrophobicContact CG2-CB 4.02Å; I1030-V1102 HydrophobicContact CG2-CG1 4.04Å; I1030-V1102 HydrophobicContact CG2-CG2 3.66Å; M1032-V1102 HydrophobicContact SD-CG1 4.38Å; R1092-V1102 VanDerWaalsContact CA-O 3.31Å; R1092-V1102 WeakPolarHBondContact CA-O 3.34Å; F1093-V1102 HydrophobicContact CD1-CB 4.18Å; F1093-V1102 HydrophobicContact CD1-CG1 4.39Å; F1093-V1102 HydrophobicContact CD2-CB 4.1Å; F1093-V1102 HydrophobicContact CD2-CG2 4.2Å; F1093-V1102 HydrophobicContact CE1-CB 3.95Å; F1093-V1102 HydrophobicContact CE1-CG1 3.68Å; F1093-V1102 HydrophobicContact CE2-CB 3.86Å; F1093-V1102 HydrophobicContact CE2-CG1 3.97Å; F1093-V1102 HydrophobicContact CE2-CG2 3.91Å; F1093-V1102 HydrophobicContact CG-CB 4.27Å; F1093-V1102 HydrophobicContact CZ-CB 3.79Å; F1093-V1102 HydrophobicContact CZ-CG1 3.44Å; F1093-V1102 VanDerWaalsContact CZ-CG1 3.44Å; F1093-V1102 HydrophobicContact CZ-CG2 4.27Å; F1093-V1102 PolarHBondContact N-O 3.41Å; F1093-V1102 PolarHBondContact O-N 3.03Å
1103D97.6Very high94.5Very high18 Ų1830 Ų3010%0.09618%0.177CC..EExtended strand (participates in β ladder)trans-114.298.3175.6-105.69.8000110.1I1030 M1032 I1090 R1092I1030-D1103 PolarHBondContact O-N 3Å; I1030-D1103 VanDerWaalsContact O-N 3.11Å; M1032-D1103 PolarHBondContact N-O 3.19Å; I1090-D1103 HydrophobicContact CG2-CB 3.82Å; I1090-D1103 VanDerWaalsContact CG2-CG 3.46Å; I1090-D1103 WeakPolarHBondContact CG2-OD1 3.34Å; R1092-D1103 WeakPolarHBondContact CB-OD1 3.45Å; R1092-D1103 WeakPolarHBondContact CG-OD1 3.33Å; R1092-D1103 IonicContact CZ-OD1 2.81Å; R1092-D1103 IonicContact CZ-OD2 3.21Å; R1092-D1103 IonicContact NE-OD1 3.66Å; R1092-D1103 PolarHBondContact NE-OD1 2.86Å; R1092-D1103 IonicContact NE-OD2 3.89Å; R1092-D1103 IonicContact NH2-OD1 3.5Å; R1092-D1103 PolarHBondContact NH2-OD1 3.02Å; R1092-D1103 IonicContact NH2-OD2 2.69Å; R1092-D1103 PolarHBondContact NH2-OD2 3Å
1104L97.3Very high94.3Very high3 Ų330.4 Ų30.42%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-95.1118.1-179.9-175.165.7000111.3I1013 M1032 L1034 L1065 F1068 I1090 L1091 F1093I1013-L1104 HydrophobicContact CD1-CD1 3.89Å; I1013-L1104 HydrophobicContact CG1-CD1 4.3Å; M1032-L1104 HydrophobicContact CB-CD1 3.77Å; M1032-L1104 WeakPolarHBondContact O-CA 3.45Å; L1034-L1104 HydrophobicContact CB-CD1 4.13Å; L1065-L1104 HydrophobicContact CD2-CD2 4.22Å; L1065-L1104 HydrophobicContact CD2-CG 4Å; L1065-L1104 WeakPolarHBondContact CD2-O 3.36Å; F1068-L1104 HydrophobicContact CB-CD2 4.47Å; F1068-L1104 HydrophobicContact CD1-CD2 3.9Å; F1068-L1104 HydrophobicContact CG-CD2 4.34Å; I1090-L1104 CarbonylContact C-O 3.43Å; I1090-L1104 WeakPolarHBondContact CA-O 3.43Å; L1091-L1104 HydrophobicContact CB-CB 4.45Å; L1091-L1104 PolarHBondContact N-O 3.26Å; L1091-L1104 PolarHBondContact O-N 3.18Å; F1093-L1104 HydrophobicContact CE1-CB 4Å
1105N95.9Very high94.2Very high13 Ų1328 Ų287%0.0717%0.169CC..EExtended strand (participates in β ladder)trans-113.3169.1171.465.384.6000111.1M1032 L1034 V1088 I1090 N1108M1032-N1105 PolarHBondContact O-N 2.95Å; M1032-N1105 PolarHBondContact O-ND2 3.28Å; L1034-N1105 WeakPolarHBondContact CB-O 3.22Å; L1034-N1105 PolarHBondContact N-O 3.36Å; V1088-N1105 HydrophobicContact CG1-CB 4.06Å; I1090-N1105 HydrophobicContact CG1-CB 4.34Å; N1105-N1108 WeakPolarHBondContact OD1-CB 3.48Å
1106F94.2Very high94.1Very high10 Ų1028.5 Ų28.54%0.04417%0.171CC..EExtended strand (participates in β ladder)trans-120.1135.5-179.7177.7-103.9000112.2Y1011 L1034 P1036 E1060 A1061 I1064 L1065 N1108Y1011-F1106 HydrophobicContact CD1-CE2 4.01Å; Y1011-F1106 AromaticContact CE1-CE2 3.85Å; Y1011-F1106 HydrophobicContact CE1-CE2 3.85Å; Y1011-F1106 HydrophobicContact CE1-CZ 4.41Å; L1034-F1106 HydrophobicContact CB-CD2 4.1Å; L1034-F1106 HydrophobicContact CD2-CD2 3.91Å; L1034-F1106 HydrophobicContact CG-CD2 4.02Å; L1034-F1106 WeakPolarHBondContact O-CA 3.48Å; L1034-F1106 WeakPolarHBondContact O-CD2 3.18Å; P1036-F1106 HydrophobicContact CG-CE2 4.46Å; P1036-F1106 HydrophobicContact CG-CZ 4.2Å; E1060-F1106 HydrophobicContact CG-CE1 3.75Å; E1060-F1106 HydrophobicContact CG-CZ 4.26Å; A1061-F1106 HydrophobicContact CB-CB 4.06Å; A1061-F1106 HydrophobicContact CB-CD1 3.82Å; A1061-F1106 HydrophobicContact CB-CG 4.4Å; I1064-F1106 HydrophobicContact CB-CD2 4.41Å; I1064-F1106 HydrophobicContact CG1-CE2 4.36Å; I1064-F1106 HydrophobicContact CG1-CZ 4.28Å; I1064-F1106 HydrophobicContact CG2-CD2 4Å; I1064-F1106 HydrophobicContact CG2-CE2 4.16Å; L1065-F1106 HydrophobicContact CG-CB 4.35Å; F1106-N1108 VanDerWaalsContact C-N 3.29Å; F1106-N1108 PolarHBondContact O-N 2.9Å
1107N90.9Very high94.1Very high47 Ų4724.4 Ų24.425%0.25115%0.151SC..SBendtrans53.336.4169.5-154.4-2.4000115L1034 C1109L1034-N1107 PolarHBondContact O-N 2.84Å; N1107-C1109 PolarHBondContact O-N 3.21Å
1108N90.3Very high94.3Very high38 Ų3820.5 Ų20.520%0.20312%0.122CC..  trans-99.562-179.7-171.726.3000111.9C1033 V1088 N1105 F1106 V1110 G1111C1033-N1108 PolarHBondContact SG-N 3.39Å; V1088-N1108 HydrophobicContact CG1-CB 4.44Å; N1105-N1108 WeakPolarHBondContact OD1-CB 3.48Å; F1106-N1108 VanDerWaalsContact C-N 3.29Å; F1106-N1108 PolarHBondContact O-N 2.9Å; N1108-V1110 PolarHBondContact O-N 2.63Å; N1108-G1111 PolarHBondContact O-N 3.15Å
1109C89Confident94.3Very high25 Ų2518.6 Ų18.617%0.16911%0.112CC..Hα-helixtrans-52.2-29.4-175.7-50.60000114.3N1107 G1111 I1112 K1113 C1192N1107-C1109 PolarHBondContact O-N 3.21Å; C1109-G1111 VanDerWaalsContact C-N 3.3Å; C1109-G1111 PolarHBondContact O-N 3.07Å; C1109-I1112 PolarHBondContact O-N 3.49Å; C1109-I1112 VanDerWaalsContact O-N 3.14Å; C1109-K1113 PolarHBondContact O-N 3.31Å; C1109-C1192 HydrophobicContact CB-CB 4.48Å; C1109-C1192 VanDerWaalsContact CB-SG 3.55Å; C1109-C1192 VanDerWaalsContact SG-SG 3.61Å
1110V90.3Very high94.3Very high28 Ų2816.8 Ų16.817%0.179%0.092CC..Hα-helixtrans-63-34.6175.7176.80000111.9N1108 I1112 K1113 N1114 E1266 F1268 D1269N1108-V1110 PolarHBondContact O-N 2.63Å; V1110-I1112 VanDerWaalsContact C-N 3.31Å; V1110-I1112 PolarHBondContact O-N 2.87Å; V1110-K1113 PolarHBondContact O-N 3.3Å; V1110-N1114 WeakPolarHBondContact O-CB 3.23Å; V1110-N1114 PolarHBondContact O-N 2.87Å; V1110-N1114 PolarHBondContact O-ND2 3.44Å; V1110-E1266 WeakPolarHBondContact CG1-OE1 3.45Å; V1110-F1268 HydrophobicContact CG1-CB 4.48Å; V1110-D1269 HydrophobicContact CG2-CB 4.48Å
1111G92.3Very high94.4Very high19 Ų1916.3 Ų16.320%0.1969%0.09CC..Hα-helixtrans-63.6-36173.100000112.8N1108 C1109 T1115N1108-G1111 PolarHBondContact O-N 3.15Å; C1109-G1111 VanDerWaalsContact C-N 3.3Å; C1109-G1111 PolarHBondContact O-N 3.07Å; G1111-T1115 WeakPolarHBondContact O-CB 3.42Å; G1111-T1115 PolarHBondContact O-N 2.69Å; G1111-T1115 PolarHBondContact O-OG1 3.5Å
1112I91.9Very high94.3Very high3 Ų313.3 Ų13.32%0.0158%0.077CC..Hα-helixtrans-71.7-47.7176.9-57.4170000110.2C1014 V1016 C1033 L1035 C1109 V1110 N1114 T1115 Y1116 C1192 L1195 L1197C1014-I1112 HydrophobicContact CB-CD1 4.09Å; V1016-I1112 HydrophobicContact CG1-CB 4.31Å; V1016-I1112 HydrophobicContact CG1-CG1 3.54Å; C1033-I1112 HydrophobicContact CB-CD1 4.18Å; C1033-I1112 HydrophobicContact CB-CG1 4.24Å; L1035-I1112 HydrophobicContact CD1-CD1 3.66Å; L1035-I1112 HydrophobicContact CD2-CD1 4Å; L1035-I1112 HydrophobicContact CG-CD1 4.05Å; C1109-I1112 PolarHBondContact O-N 3.49Å; C1109-I1112 VanDerWaalsContact O-N 3.14Å; V1110-I1112 VanDerWaalsContact C-N 3.31Å; V1110-I1112 PolarHBondContact O-N 2.87Å; I1112-N1114 VanDerWaalsContact C-N 3.32Å; I1112-N1114 PolarHBondContact O-N 2.76Å; I1112-T1115 WeakPolarHBondContact O-CB 3.44Å; I1112-T1115 PolarHBondContact O-N 3.07Å; I1112-Y1116 PolarHBondContact O-N 2.87Å; I1112-C1192 HydrophobicContact CB-CB 4.32Å; I1112-C1192 HydrophobicContact CG2-CB 4.12Å; I1112-L1195 HydrophobicContact CG2-CD1 4.19Å; I1112-L1197 HydrophobicContact CG2-CD2 4.45Å
1113K93.1Very high94.1Very high9 Ų916.8 Ų16.84%0.0399%0.093CC..Hα-helixtrans-58.7-40.4176.1-77.9-177.6168-109.20112.9C1109 V1110 L1117 Q1189 L1195 F1268C1109-K1113 PolarHBondContact O-N 3.31Å; V1110-K1113 PolarHBondContact O-N 3.3Å; K1113-L1117 WeakPolarHBondContact O-CB 3.39Å; K1113-L1117 PolarHBondContact O-N 2.92Å; K1113-Q1189 WeakPolarHBondContact CE-O 3.35Å; K1113-Q1189 PolarHBondContact NZ-O 3.41Å; K1113-L1195 HydrophobicContact CG-CD1 3.9Å; K1113-F1268 HydrophobicContact CB-CD1 4.33Å; K1113-F1268 HydrophobicContact CB-CD2 3.94Å; K1113-F1268 HydrophobicContact CB-CE1 4.15Å; K1113-F1268 HydrophobicContact CB-CE2 3.74Å; K1113-F1268 HydrophobicContact CB-CG 4.23Å; K1113-F1268 HydrophobicContact CB-CZ 3.85Å; K1113-F1268 HydrophobicContact CD-CD1 4.15Å; K1113-F1268 HydrophobicContact CD-CE1 4.37Å; K1113-F1268 HydrophobicContact CD-CG 4.47Å
1114N94.8Very high93.9Very high12 Ų1216.1 Ų16.16%0.0649%0.09CC..Hα-helixtrans-65.2-39.9171.7-82.5-52.5000113.5V1110 I1112 Y1116 L1117 L1118 Y1155 E1266V1110-N1114 WeakPolarHBondContact O-CB 3.23Å; V1110-N1114 PolarHBondContact O-N 2.87Å; V1110-N1114 PolarHBondContact O-ND2 3.44Å; I1112-N1114 VanDerWaalsContact C-N 3.32Å; I1112-N1114 PolarHBondContact O-N 2.76Å; N1114-Y1116 VanDerWaalsContact C-N 3.33Å; N1114-Y1116 PolarHBondContact O-N 3.26Å; N1114-L1117 PolarHBondContact O-N 3.21Å; N1114-L1118 VanDerWaalsContact O-CB 3.29Å; N1114-L1118 WeakPolarHBondContact O-CB 3.42Å; N1114-L1118 VanDerWaalsContact O-CG 3.26Å; N1114-L1118 WeakPolarHBondContact O-CG 3.31Å; N1114-L1118 PolarHBondContact O-N 2.81Å; N1114-Y1155 HydrophobicContact CB-CE2 4.14Å; N1114-Y1155 PolarHBondContact ND2-OH 3.33Å; N1114-Y1155 PolarHBondContact OD1-OH 2.98Å; N1114-E1266 PolarHBondContact ND2-OE1 2.91Å
1115T95.2Very high93.9Very high4 Ų416.6 Ų16.63%0.0259%0.092CC..Hα-helixtrans-58.8-48.8178.1-63.90000110.3V1016 G1017 I1020 T1021 G1111 I1112 Q1119 L1197V1016-T1115 WeakPolarHBondContact CB-OG1 3.19Å; G1017-T1115 PolarHBondContact N-OG1 3.01Å; I1020-T1115 HydrophobicContact CG2-CG2 3.37Å; T1021-T1115 HydrophobicContact CG2-CG2 3.98Å; G1111-T1115 WeakPolarHBondContact O-CB 3.42Å; G1111-T1115 PolarHBondContact O-N 2.69Å; G1111-T1115 PolarHBondContact O-OG1 3.5Å; I1112-T1115 WeakPolarHBondContact O-CB 3.44Å; I1112-T1115 PolarHBondContact O-N 3.07Å; T1115-Q1119 VanDerWaalsContact O-CB 3.31Å; T1115-Q1119 WeakPolarHBondContact O-CB 3.05Å; T1115-Q1119 PolarHBondContact O-N 2.81Å; T1115-L1197 HydrophobicContact CG2-CD1 4.2Å
1116Y94.1Very high93.8Very high11 Ų1119.8 Ų19.84%0.04310%0.103CC..Hα-helixtrans-59.6-51.2174.7179.7-116.9000112.6I1112 N1114 L1118 Q1119 L1120 K1184 F1185 L1195 L1197 E1199I1112-Y1116 PolarHBondContact O-N 2.87Å; N1114-Y1116 VanDerWaalsContact C-N 3.33Å; N1114-Y1116 PolarHBondContact O-N 3.26Å; Y1116-L1118 PolarHBondContact O-N 3.21Å; Y1116-Q1119 PolarHBondContact O-N 3.22Å; Y1116-L1120 HydrophobicContact CD1-CD1 4.12Å; Y1116-L1120 HydrophobicContact CD2-CD1 4.2Å; Y1116-L1120 HydrophobicContact CE1-CD1 3.75Å; Y1116-L1120 HydrophobicContact CE2-CD1 3.84Å; Y1116-L1120 HydrophobicContact CE2-CG 4.41Å; Y1116-L1120 HydrophobicContact CG-CD1 4.33Å; Y1116-L1120 WeakPolarHBondContact O-CG 3.32Å; Y1116-L1120 PolarHBondContact O-N 2.73Å; Y1116-K1184 WeakPolarHBondContact OH-CD 3.34Å; Y1116-K1184 PolarHBondContact OH-NZ 3.36Å; Y1116-F1185 AromaticContact CD1-CE1 3.8Å; Y1116-F1185 HydrophobicContact CD1-CE1 3.8Å; Y1116-F1185 HydrophobicContact CD1-CZ 4.44Å; Y1116-F1185 AromaticContact CE1-CE1 3.8Å; Y1116-F1185 HydrophobicContact CE1-CE1 3.8Å; Y1116-F1185 HydrophobicContact CE1-CZ 4.1Å; Y1116-L1195 HydrophobicContact CD1-CD2 3.95Å; Y1116-L1195 HydrophobicContact CE1-CD2 3.95Å; Y1116-L1195 HydrophobicContact CG-CD2 4.34Å; Y1116-L1197 HydrophobicContact CD2-CD2 4.12Å; Y1116-L1197 HydrophobicContact CG-CD2 4.31Å; Y1116-E1199 HydrophobicContact CE2-CB 4.38Å; Y1116-E1199 PolarHBondContact OH-OE2 3.46Å
1117L95.5Very high94Very high1 Ų119.9 Ų19.91%0.00510%0.104CC..Hα-helixtrans-57.5-45.7178.6178.869.4000112.6K1113 N1114 L1120 Y1121 L1177 F1185 P1267 F1268K1113-L1117 WeakPolarHBondContact O-CB 3.39Å; K1113-L1117 PolarHBondContact O-N 2.92Å; N1114-L1117 PolarHBondContact O-N 3.21Å; L1117-L1120 PolarHBondContact O-N 3.4Å; L1117-Y1121 HydrophobicContact CD1-CD2 4.24Å; L1117-Y1121 HydrophobicContact CD1-CE2 3.57Å; L1117-Y1121 HydrophobicContact CD2-CE2 4.26Å; L1117-Y1121 HydrophobicContact CG-CD2 4.07Å; L1117-Y1121 HydrophobicContact CG-CE2 3.68Å; L1117-Y1121 WeakPolarHBondContact O-CD2 3.35Å; L1117-Y1121 PolarHBondContact O-N 3.05Å; L1117-Y1121 VanDerWaalsContact O-N 3.17Å; L1117-L1177 HydrophobicContact CD1-CB 4.08Å; L1117-L1177 HydrophobicContact CD1-CD1 4.04Å; L1117-F1185 HydrophobicContact CB-CE1 4.15Å; L1117-F1185 HydrophobicContact CD1-CD1 3.92Å; L1117-F1185 HydrophobicContact CD1-CE1 3.62Å; L1117-F1185 HydrophobicContact CD1-CE2 4.46Å; L1117-F1185 HydrophobicContact CD1-CG 4.46Å; L1117-F1185 HydrophobicContact CD1-CZ 3.92Å; L1117-F1185 HydrophobicContact CG-CE1 4.5Å; L1117-P1267 HydrophobicContact CD2-CB 4.01Å; L1117-P1267 HydrophobicContact CD2-CG 4.03Å; L1117-F1268 HydrophobicContact CB-CE2 4.29Å; L1117-F1268 HydrophobicContact CB-CZ 4.15Å; L1117-F1268 HydrophobicContact CD2-CE2 3.86Å; L1117-F1268 HydrophobicContact CD2-CZ 3.97Å
1118L96.9Very high94.3Very high10 Ų1017.7 Ų17.75%0.0529%0.092CC..Hα-helixtrans-68.8-39.2179.7-73-175.7000112.4T1021 F1023 N1114 Y1116 L1120 Y1121 A1122 Y1155 V1158 L1159 L1162T1021-L1118 HydrophobicContact CG2-CB 3.66Å; T1021-L1118 HydrophobicContact CG2-CD1 4.09Å; F1023-L1118 HydrophobicContact CD2-CB 4.44Å; F1023-L1118 HydrophobicContact CE2-CB 4.08Å; F1023-L1118 HydrophobicContact CE2-CD2 4.35Å; N1114-L1118 VanDerWaalsContact O-CB 3.29Å; N1114-L1118 WeakPolarHBondContact O-CB 3.42Å; N1114-L1118 VanDerWaalsContact O-CG 3.26Å; N1114-L1118 WeakPolarHBondContact O-CG 3.31Å; N1114-L1118 PolarHBondContact O-N 2.81Å; Y1116-L1118 PolarHBondContact O-N 3.21Å; L1118-L1120 VanDerWaalsContact C-N 3.32Å; L1118-L1120 PolarHBondContact O-N 2.78Å; L1118-Y1121 PolarHBondContact O-N 2.9Å; L1118-A1122 WeakPolarHBondContact O-CB 2.92Å; L1118-A1122 PolarHBondContact O-N 2.64Å; L1118-Y1155 HydrophobicContact CD1-CD2 3.91Å; L1118-Y1155 HydrophobicContact CD1-CE2 3.93Å; L1118-V1158 HydrophobicContact CD1-CG1 4.23Å; L1118-V1158 HydrophobicContact CD2-CG1 3.64Å; L1118-L1159 HydrophobicContact CD2-CD2 4.27Å; L1118-L1162 HydrophobicContact CD2-CD1 3.39Å
1119Q94.9Very high94.6Very high20 Ų2017.5 Ų17.59%0.0939%0.088CC..Hα-helixtrans-60.1-42.5174.7177.4-175.16.300111.8T1115 Y1116 A1122 Q1123 L1197T1115-Q1119 VanDerWaalsContact O-CB 3.31Å; T1115-Q1119 WeakPolarHBondContact O-CB 3.05Å; T1115-Q1119 PolarHBondContact O-N 2.81Å; Y1116-Q1119 PolarHBondContact O-N 3.22Å; Q1119-A1122 WeakPolarHBondContact O-CB 3.46Å; Q1119-A1122 PolarHBondContact O-N 2.92Å; Q1119-Q1123 PolarHBondContact O-N 2.9Å; Q1119-L1197 VanDerWaalsContact CD-O 3.3Å; Q1119-L1197 VanDerWaalsContact NE2-C 3.28Å; Q1119-L1197 PolarHBondContact NE2-O 2.87Å; Q1119-L1197 VanDerWaalsContact OE1-C 3.24Å; Q1119-L1197 PolarHBondContact OE1-O 3.01Å
1120L95.2Very high95Very high2 Ų216.3 Ų16.31%0.018%0.08CC..Hα-helixtrans-65.1-46.4178-67.7168.5000110.6Y1116 L1117 L1118 A1122 Q1123 M1124 L1177 F1185 I1201Y1116-L1120 HydrophobicContact CD1-CD1 4.12Å; Y1116-L1120 HydrophobicContact CD2-CD1 4.2Å; Y1116-L1120 HydrophobicContact CE1-CD1 3.75Å; Y1116-L1120 HydrophobicContact CE2-CD1 3.84Å; Y1116-L1120 HydrophobicContact CE2-CG 4.41Å; Y1116-L1120 HydrophobicContact CG-CD1 4.33Å; Y1116-L1120 WeakPolarHBondContact O-CG 3.32Å; Y1116-L1120 PolarHBondContact O-N 2.73Å; L1117-L1120 PolarHBondContact O-N 3.4Å; L1118-L1120 VanDerWaalsContact C-N 3.32Å; L1118-L1120 PolarHBondContact O-N 2.78Å; L1120-A1122 VanDerWaalsContact C-N 3.27Å; L1120-A1122 PolarHBondContact O-N 2.84Å; L1120-Q1123 WeakPolarHBondContact O-CB 3.24Å; L1120-Q1123 PolarHBondContact O-N 3.35Å; L1120-M1124 VanDerWaalsContact O-CG 3.25Å; L1120-M1124 WeakPolarHBondContact O-CG 3.39Å; L1120-M1124 PolarHBondContact O-N 3.42Å; L1120-L1177 HydrophobicContact CB-CD1 3.74Å; L1120-F1185 HydrophobicContact CD1-CE1 4.35Å; L1120-F1185 HydrophobicContact CD1-CZ 3.7Å; L1120-I1201 HydrophobicContact CB-CG2 4.33Å; L1120-I1201 HydrophobicContact CD2-CB 3.76Å; L1120-I1201 HydrophobicContact CD2-CD1 4.22Å; L1120-I1201 HydrophobicContact CD2-CG2 3.67Å
1121Y97.1Very high95.4Very high0 Ų015 Ų150%07%0.072CC..Hα-helixtrans-57.8-36.4172.3-74.5-54.8000113.5L1117 L1118 Q1123 M1124 L1162 Q1166 L1174 P1175 L1177 I1235L1117-Y1121 HydrophobicContact CD1-CD2 4.24Å; L1117-Y1121 HydrophobicContact CD1-CE2 3.57Å; L1117-Y1121 HydrophobicContact CD2-CE2 4.26Å; L1117-Y1121 HydrophobicContact CG-CD2 4.07Å; L1117-Y1121 HydrophobicContact CG-CE2 3.68Å; L1117-Y1121 WeakPolarHBondContact O-CD2 3.35Å; L1117-Y1121 PolarHBondContact O-N 3.05Å; L1117-Y1121 VanDerWaalsContact O-N 3.17Å; L1118-Y1121 PolarHBondContact O-N 2.9Å; Y1121-Q1123 PolarHBondContact O-N 3.38Å; Y1121-M1124 HydrophobicContact CD1-SD 4.03Å; Y1121-M1124 HydrophobicContact CE1-SD 4.45Å; Y1121-M1124 PolarHBondContact O-N 3.05Å; Y1121-L1162 HydrophobicContact CD2-CD1 3.68Å; Y1121-L1162 HydrophobicContact CE2-CD1 4.3Å; Y1121-L1162 HydrophobicContact CG-CD1 4.13Å; Y1121-L1162 HydrophobicContact CG-CD2 4.14Å; Y1121-Q1166 VanDerWaalsContact CE1-NE2 3.3Å; Y1121-Q1166 VanDerWaalsContact CZ-NE2 3.26Å; Y1121-Q1166 PolarHBondContact OH-NE2 3.21Å; Y1121-L1174 HydrophobicContact CD1-CD1 4.22Å; Y1121-P1175 WeakPolarHBondContact CE1-O 3.34Å; Y1121-L1177 HydrophobicContact CD1-CD1 3.64Å; Y1121-L1177 HydrophobicContact CD1-CG 4Å; Y1121-L1177 HydrophobicContact CD2-CD1 4.05Å; Y1121-L1177 HydrophobicContact CE1-CB 4.02Å; Y1121-L1177 HydrophobicContact CE1-CD1 3.52Å; Y1121-L1177 HydrophobicContact CE1-CG 3.47Å; Y1121-L1177 VanDerWaalsContact CE1-CG 3.47Å; Y1121-L1177 HydrophobicContact CE2-CD1 3.97Å; Y1121-L1177 HydrophobicContact CG-CD1 3.88Å; Y1121-L1177 PolarHBondContact OH-N 3.43Å; Y1121-L1177 VanDerWaalsContact OH-N 3.15Å; Y1121-I1235 HydrophobicContact CE2-CG2 3.56Å; Y1121-I1235 WeakPolarHBondContact OH-CG2 3.38Å
1122A95.6Very high95.7Very high7 Ų714.1 Ų14.16%0.0586%0.063CC..Hα-helixtrans-66.4-17.9177.400000114.1T1021 F1023 L1118 Q1119 L1120 R1129T1021-A1122 VanDerWaalsContact O-CB 3.27Å; T1021-A1122 WeakPolarHBondContact O-CB 3.33Å; F1023-A1122 HydrophobicContact CD1-CB 4.46Å; F1023-A1122 HydrophobicContact CE1-CB 3.78Å; F1023-A1122 HydrophobicContact CE2-CB 4.08Å; F1023-A1122 HydrophobicContact CZ-CB 3.57Å; L1118-A1122 WeakPolarHBondContact O-CB 2.92Å; L1118-A1122 PolarHBondContact O-N 2.64Å; Q1119-A1122 WeakPolarHBondContact O-CB 3.46Å; Q1119-A1122 PolarHBondContact O-N 2.92Å; L1120-A1122 VanDerWaalsContact C-N 3.27Å; L1120-A1122 PolarHBondContact O-N 2.84Å; A1122-R1129 HydrophobicContact CB-CG 4.04Å; A1122-R1129 WeakPolarHBondContact O-CD 3.37Å; A1122-R1129 WeakPolarHBondContact O-CG 3.23Å
1123Q93.9Very high96Very high72 Ų7214 Ų1434%0.3366%0.063SC..Hα-helixtrans-92.2-24.8176-68.5-179.878.600113.3Q1119 L1120 Y1121 D1125 E1199 I1201Q1119-Q1123 PolarHBondContact O-N 2.9Å; L1120-Q1123 WeakPolarHBondContact O-CB 3.24Å; L1120-Q1123 PolarHBondContact O-N 3.35Å; Y1121-Q1123 PolarHBondContact O-N 3.38Å; Q1123-D1125 PolarHBondContact O-N 3.36Å; Q1123-E1199 PolarHBondContact NE2-O 3.26Å; Q1123-I1201 HydrophobicContact CB-CG2 3.55Å; Q1123-I1201 HydrophobicContact CG-CG2 4.32Å
1124M94.3Very high96.2Very high4 Ų413.6 Ų13.62%0.026%0.061CC..Hα-helixtrans-68.6-38.3-168-57.7-163.697.600114.7L1120 Y1121 L1174 P1175 L1177 I1201 P1203 Y1204L1120-M1124 VanDerWaalsContact O-CG 3.25Å; L1120-M1124 WeakPolarHBondContact O-CG 3.39Å; L1120-M1124 PolarHBondContact O-N 3.42Å; Y1121-M1124 HydrophobicContact CD1-SD 4.03Å; Y1121-M1124 HydrophobicContact CE1-SD 4.45Å; Y1121-M1124 PolarHBondContact O-N 3.05Å; M1124-L1174 HydrophobicContact CB-CD2 3.71Å; M1124-P1175 HydrophobicContact CE-CG 3.54Å; M1124-P1175 HydrophobicContact SD-CG 3.73Å; M1124-L1177 HydrophobicContact CE-CD2 3.68Å; M1124-L1177 HydrophobicContact SD-CD1 4.21Å; M1124-L1177 HydrophobicContact SD-CD2 3.73Å; M1124-L1177 HydrophobicContact SD-CG 3.96Å; M1124-I1201 HydrophobicContact CE-CD1 3.96Å; M1124-P1203 CarbonylContact O-C 3.41Å; M1124-P1203 WeakPolarHBondContact O-CA 3.42Å; M1124-Y1204 PolarHBondContact O-N 3.44Å
1125D95.8Very high96.4Very high14 Ų1413 Ų138%0.0756%0.058CC..  trans-143.4133.3175.6-174.8-67.5000110.5Q1123 R1127 T1128 V1173 L1174Q1123-D1125 PolarHBondContact O-N 3.36Å; D1125-R1127 PolarHBondContact O-N 3.29Å; D1125-R1127 VanDerWaalsContact O-N 3.14Å; D1125-R1127 WeakPolarHBondContact OD1-CB 3.39Å; D1125-R1127 WeakPolarHBondContact OD1-CG 3.44Å; D1125-R1127 IonicContact OD1-CZ 3.65Å; D1125-R1127 PolarHBondContact OD1-N 3.11Å; D1125-R1127 IonicContact OD1-NE 2.71Å; D1125-R1127 PolarHBondContact OD1-NE 3.04Å; D1125-R1127 IonicContact OD1-NH2 3.95Å; D1125-R1127 IonicContact OD2-CZ 2.74Å; D1125-R1127 IonicContact OD2-NE 3.18Å; D1125-R1127 PolarHBondContact OD2-NE 3.42Å; D1125-R1127 IonicContact OD2-NH2 2.7Å; D1125-R1127 PolarHBondContact OD2-NH2 3.43Å; D1125-T1128 VanDerWaalsContact O-CB 3.26Å; D1125-T1128 WeakPolarHBondContact O-CB 3.24Å; D1125-T1128 PolarHBondContact O-N 3.06Å; D1125-T1128 VanDerWaalsContact O-N 3.08Å; D1125-T1128 PolarHBondContact O-OG1 3.38Å; D1125-V1173 HydrophobicContact CB-CG1 3.72Å; D1125-L1174 HydrophobicContact CB-CD2 4.3Å
1126W95Very high96.5Very high79 Ų7913.4 Ų13.430%0.2996%0.059SC..THydrogen-bonded Turntrans-58.8-26.7-175.370.3-93.8000114P959 K961 L962 W976 T1128 P1130 L1212P959-W1126 HydrophobicContact CB-CD2 3.86Å; P959-W1126 HydrophobicContact CB-CE3 4Å; P959-W1126 HydrophobicContact CB-CG 4.32Å; P959-W1126 HydrophobicContact CB-CH2 4.44Å; P959-W1126 HydrophobicContact CB-CZ2 4.34Å; P959-W1126 HydrophobicContact CB-CZ3 4.27Å; P959-W1126 HydrophobicContact CG-CD2 3.82Å; P959-W1126 HydrophobicContact CG-CE3 3.4Å; P959-W1126 VanDerWaalsContact CG-CE3 3.4Å; P959-W1126 HydrophobicContact CG-CH2 3.89Å; P959-W1126 HydrophobicContact CG-CZ2 4.27Å; P959-W1126 HydrophobicContact CG-CZ3 3.43Å; P959-W1126 VanDerWaalsContact CG-CZ3 3.43Å; K961-W1126 HydrophobicContact CB-CZ2 4.17Å; L962-W1126 HydrophobicContact CD1-CH2 4.16Å; L962-W1126 HydrophobicContact CD1-CZ3 4.25Å; W976-W1126 HydrophobicContact CZ3-CE3 4.48Å; W1126-T1128 VanDerWaalsContact C-N 3.26Å; W1126-T1128 PolarHBondContact O-N 3.36Å; W1126-P1130 WeakPolarHBondContact O-CD 3.42Å; W1126-L1212 HydrophobicContact CH2-CD1 4.29Å; W1126-L1212 HydrophobicContact CH2-CG 4.14Å; W1126-L1212 HydrophobicContact CZ3-CD1 3.72Å; W1126-L1212 HydrophobicContact CZ3-CD2 4.49Å; W1126-L1212 HydrophobicContact CZ3-CG 3.91Å
1127R97Very high96.7Very high13 Ų1314.5 Ų14.55%0.0497%0.066CC..THydrogen-bonded Turntrans-70-24.5179.8-64.5170.1-78.1-166.1-4.4112.5D1125 R1129 P1130 L1131 N1208 Q1210 L1212 H1215D1125-R1127 PolarHBondContact O-N 3.29Å; D1125-R1127 VanDerWaalsContact O-N 3.14Å; D1125-R1127 WeakPolarHBondContact OD1-CB 3.39Å; D1125-R1127 WeakPolarHBondContact OD1-CG 3.44Å; D1125-R1127 IonicContact OD1-CZ 3.65Å; D1125-R1127 PolarHBondContact OD1-N 3.11Å; D1125-R1127 IonicContact OD1-NE 2.71Å; D1125-R1127 PolarHBondContact OD1-NE 3.04Å; D1125-R1127 IonicContact OD1-NH2 3.95Å; D1125-R1127 IonicContact OD2-CZ 2.74Å; D1125-R1127 IonicContact OD2-NE 3.18Å; D1125-R1127 PolarHBondContact OD2-NE 3.42Å; D1125-R1127 IonicContact OD2-NH2 2.7Å; D1125-R1127 PolarHBondContact OD2-NH2 3.43Å; R1127-R1129 PolarHBondContact O-N 3.13Å; R1127-P1130 WeakPolarHBondContact O-CD 3.25Å; R1127-L1131 VanDerWaalsContact O-CB 3.24Å; R1127-L1131 WeakPolarHBondContact O-CB 3.5Å; R1127-L1131 PolarHBondContact O-N 3.35Å; R1127-L1131 VanDerWaalsContact O-N 3.08Å; R1127-N1208 PolarHBondContact NH1-O 3.39Å; R1127-N1208 PolarHBondContact NH1-OD1 2.84Å; R1127-N1208 VanDerWaalsContact NH1-OD1 3.09Å; R1127-N1208 PolarHBondContact NH2-O 2.68Å; R1127-Q1210 PolarHBondContact NH1-O 3.18Å; R1127-L1212 HydrophobicContact CB-CD2 3.86Å; R1127-L1212 HydrophobicContact CG-CD2 4.15Å; R1127-L1212 HydrophobicContact CG-CG 4.47Å; R1127-H1215 PolarHBondContact NH1-NE2 3.28Å
1128T97.6Very high96.8Very high0 Ų014.5 Ų14.50%07%0.065CC..Hα-helixtrans-60.1-46.2-175.8-46.70000111.9F1023 D1125 W1126 V1132 L1162 L1165 L1174F1023-T1128 HydrophobicContact CE1-CG2 4Å; F1023-T1128 HydrophobicContact CZ-CG2 3.99Å; D1125-T1128 VanDerWaalsContact O-CB 3.26Å; D1125-T1128 WeakPolarHBondContact O-CB 3.24Å; D1125-T1128 PolarHBondContact O-N 3.06Å; D1125-T1128 VanDerWaalsContact O-N 3.08Å; D1125-T1128 PolarHBondContact O-OG1 3.38Å; W1126-T1128 VanDerWaalsContact C-N 3.26Å; W1126-T1128 PolarHBondContact O-N 3.36Å; T1128-V1132 WeakPolarHBondContact O-CB 3.5Å; T1128-V1132 VanDerWaalsContact O-CG2 3.31Å; T1128-V1132 WeakPolarHBondContact O-CG2 3.41Å; T1128-V1132 PolarHBondContact O-N 2.81Å; T1128-L1162 HydrophobicContact CG2-CD2 3.78Å; T1128-L1165 HydrophobicContact CG2-CD1 4.02Å; T1128-L1174 HydrophobicContact CG2-CD1 4.1Å
1129R97.2Very high96.9Very high34 Ų3414 Ų1413%0.1286%0.063CC..Hα-helixtrans-69.3-49.2-175.9-62.2179.164.2-168.5-6.1112.8I953 V955 F979 G1022 F1023 A1122 R1127 L1131 V1133I953-R1129 PolarHBondContact O-NH1 2.96Å; I953-R1129 VanDerWaalsContact O-NH1 3.16Å; I953-R1129 PolarHBondContact O-NH2 3.29Å; V955-R1129 VanDerWaalsContact CG2-NH1 3.26Å; F979-R1129 HydrophobicContact CE2-CB 4.16Å; F979-R1129 HydrophobicContact CZ-CB 4.16Å; G1022-R1129 PolarHBondContact O-NE 3.42Å; G1022-R1129 PolarHBondContact O-NH2 3.42Å; G1022-R1129 VanDerWaalsContact O-NH2 3.1Å; F1023-R1129 HydrophobicContact CD1-CG 4.36Å; F1023-R1129 HydrophobicContact CE1-CG 4.09Å; A1122-R1129 HydrophobicContact CB-CG 4.04Å; A1122-R1129 WeakPolarHBondContact O-CD 3.37Å; A1122-R1129 WeakPolarHBondContact O-CG 3.23Å; R1127-R1129 PolarHBondContact O-N 3.13Å; R1129-L1131 PolarHBondContact O-N 3.38Å; R1129-V1133 WeakPolarHBondContact O-CG2 3.26Å; R1129-V1133 PolarHBondContact O-N 3.26Å; R1129-V1133 VanDerWaalsContact O-N 3.11Å
1130P97.9Very high96.9Very high1 Ų117.6 Ų17.61%0.0068%0.08CC..Hα-helixtrans-58.4-44172.3-22.731.5000113.4I975 W976 F979 W1126 R1127 V1133 I1134 L1212I975-P1130 HydrophobicContact CG2-CB 4.31Å; W976-P1130 HydrophobicContact CE3-CG 3.89Å; W976-P1130 HydrophobicContact CZ3-CG 3.82Å; F979-P1130 HydrophobicContact CB-CB 4Å; F979-P1130 HydrophobicContact CD1-CB 4.04Å; F979-P1130 HydrophobicContact CD1-CG 3.71Å; F979-P1130 HydrophobicContact CD2-CB 4.33Å; F979-P1130 HydrophobicContact CD2-CG 4.45Å; F979-P1130 HydrophobicContact CE1-CG 3.9Å; F979-P1130 HydrophobicContact CG-CB 3.85Å; F979-P1130 HydrophobicContact CG-CG 4Å; F979-P1130 HydrophobicContact CZ-CG 4.35Å; W1126-P1130 WeakPolarHBondContact O-CD 3.42Å; R1127-P1130 WeakPolarHBondContact O-CD 3.25Å; P1130-V1133 PolarHBondContact O-N 2.93Å; P1130-I1134 WeakPolarHBondContact O-CG2 3.39Å; P1130-I1134 PolarHBondContact O-N 3.5Å; P1130-L1212 HydrophobicContact CB-CD1 3.84Å; P1130-L1212 HydrophobicContact CB-CD2 4Å; P1130-L1212 HydrophobicContact CG-CD1 4.2Å; P1130-L1212 HydrophobicContact CG-CD2 4.5Å
1131L98.5Very high97Very high0 Ų022.3 Ų22.30%010%0.098CC..Hα-helixtrans-65-44-177.5-171.464.7000112R1127 R1129 I1134 V1135 V1161 Y1164 L1165 L1212 H1215 L1216R1127-L1131 VanDerWaalsContact O-CB 3.24Å; R1127-L1131 WeakPolarHBondContact O-CB 3.5Å; R1127-L1131 PolarHBondContact O-N 3.35Å; R1127-L1131 VanDerWaalsContact O-N 3.08Å; R1129-L1131 PolarHBondContact O-N 3.38Å; L1131-I1134 WeakPolarHBondContact O-CG2 3.27Å; L1131-V1135 WeakPolarHBondContact O-CB 3.46Å; L1131-V1135 VanDerWaalsContact O-CG2 3.3Å; L1131-V1135 WeakPolarHBondContact O-CG2 3.44Å; L1131-V1135 PolarHBondContact O-N 3.26Å; L1131-V1135 VanDerWaalsContact O-N 3.12Å; L1131-V1161 HydrophobicContact CB-CG1 4.29Å; L1131-V1161 HydrophobicContact CD2-CG1 3.76Å; L1131-V1161 HydrophobicContact CG-CG1 3.81Å; L1131-Y1164 HydrophobicContact CD2-CD1 4.33Å; L1131-Y1164 HydrophobicContact CD2-CE1 4.49Å; L1131-L1165 HydrophobicContact CD2-CD1 4.14Å; L1131-L1165 HydrophobicContact CD2-CD2 3.84Å; L1131-L1165 HydrophobicContact CD2-CG 4.11Å; L1131-L1212 HydrophobicContact CB-CD2 4.46Å; L1131-H1215 HydrophobicContact CD1-CB 4.31Å; L1131-H1215 HydrophobicContact CD2-CB 3.96Å; L1131-L1216 HydrophobicContact CD1-CB 4.03Å; L1131-L1216 HydrophobicContact CD1-CD1 4.14Å
1132V98.5Very high97Very high1 Ų123.1 Ų23.11%0.00610%0.102CC..Hα-helixtrans-61.8-44.2174.6166.70000111.7F1023 T1128 K1136 V1158 V1161F1023-V1132 HydrophobicContact CB-CG1 3.86Å; F1023-V1132 HydrophobicContact CD1-CB 3.68Å; F1023-V1132 HydrophobicContact CD1-CG1 3.52Å; F1023-V1132 HydrophobicContact CD1-CG2 3.97Å; F1023-V1132 HydrophobicContact CD2-CG1 4.44Å; F1023-V1132 HydrophobicContact CE1-CB 3.92Å; F1023-V1132 HydrophobicContact CE1-CG1 4.15Å; F1023-V1132 HydrophobicContact CE1-CG2 3.71Å; F1023-V1132 HydrophobicContact CG-CB 4.36Å; F1023-V1132 HydrophobicContact CG-CG1 3.69Å; F1023-V1132 HydrophobicContact CZ-CG2 4.17Å; T1128-V1132 WeakPolarHBondContact O-CB 3.5Å; T1128-V1132 VanDerWaalsContact O-CG2 3.31Å; T1128-V1132 WeakPolarHBondContact O-CG2 3.41Å; T1128-V1132 PolarHBondContact O-N 2.81Å; V1132-K1136 HydrophobicContact CG1-CD 4Å; V1132-K1136 WeakPolarHBondContact O-CB 3.27Å; V1132-K1136 WeakPolarHBondContact O-CG 3.39Å; V1132-K1136 PolarHBondContact O-N 3.33Å; V1132-V1158 HydrophobicContact CG1-CG2 3.78Å; V1132-V1161 HydrophobicContact CG2-CB 3.92Å; V1132-V1161 HydrophobicContact CG2-CG1 3.61Å; V1132-V1161 HydrophobicContact CG2-CG2 4.48Å
1133V97.7Very high97Very high1 Ų125.9 Ų25.91%0.00612%0.116CC..Hα-helixtrans-68.2-43.3-178.51710000111.6F979 A982 R1129 P1130 V1135 K1136 L1137F979-V1133 HydrophobicContact CD2-CB 3.84Å; F979-V1133 HydrophobicContact CD2-CG1 4.09Å; F979-V1133 HydrophobicContact CD2-CG2 3.91Å; F979-V1133 HydrophobicContact CE2-CG2 4.09Å; A982-V1133 HydrophobicContact CB-CG1 4.25Å; R1129-V1133 WeakPolarHBondContact O-CG2 3.26Å; R1129-V1133 PolarHBondContact O-N 3.26Å; R1129-V1133 VanDerWaalsContact O-N 3.11Å; P1130-V1133 PolarHBondContact O-N 2.93Å; V1133-V1135 PolarHBondContact O-N 2.92Å; V1133-K1136 PolarHBondContact O-N 3.06Å; V1133-L1137 HydrophobicContact CG1-CD1 4.05Å; V1133-L1137 HydrophobicContact CG1-CG 4.44Å; V1133-L1137 WeakPolarHBondContact O-CG 3.47Å; V1133-L1137 PolarHBondContact O-N 3.09Å
1134I98.3Very high97.2Very high0 Ų022.5 Ų22.50%010%0.1CC..Hα-helixtrans-67.4-36.7179.8-164.561.3000112.1I975 R978 P1130 L1131 L1137 W1138 L1216 L1303 F1307I975-I1134 HydrophobicContact CG1-CG1 4.48Å; I975-I1134 HydrophobicContact CG2-CB 4.19Å; I975-I1134 HydrophobicContact CG2-CG1 4.49Å; I975-I1134 HydrophobicContact CG2-CG2 3.95Å; R978-I1134 HydrophobicContact CB-CD1 4.26Å; R978-I1134 HydrophobicContact CG-CD1 3.98Å; P1130-I1134 WeakPolarHBondContact O-CG2 3.39Å; P1130-I1134 PolarHBondContact O-N 3.5Å; L1131-I1134 WeakPolarHBondContact O-CG2 3.27Å; I1134-L1137 HydrophobicContact CD1-CD1 4.47Å; I1134-L1137 PolarHBondContact O-N 3.38Å; I1134-W1138 WeakPolarHBondContact O-CB 3.43Å; I1134-W1138 PolarHBondContact O-N 3.05Å; I1134-L1216 HydrophobicContact CG1-CD2 4.43Å; I1134-L1216 HydrophobicContact CG2-CD1 3.99Å; I1134-L1216 HydrophobicContact CG2-CD2 4.3Å; I1134-L1303 HydrophobicContact CD1-CD1 4.2Å; I1134-L1303 HydrophobicContact CD1-CD2 4.06Å; I1134-L1303 HydrophobicContact CG1-CD1 4.03Å; I1134-F1307 HydrophobicContact CD1-CE2 3.84Å; I1134-F1307 HydrophobicContact CD1-CZ 3.84Å; I1134-F1307 HydrophobicContact CG1-CE2 4.49Å
1135V98.6Very high97.2Very high0 Ų023.2 Ų23.20%010%0.104CC..Hα-helixtrans-66.2-41.3173.8169.50000111.4L1131 V1133 W1138 A1139 L1157 V1161 L1216 F1219L1131-V1135 WeakPolarHBondContact O-CB 3.46Å; L1131-V1135 VanDerWaalsContact O-CG2 3.3Å; L1131-V1135 WeakPolarHBondContact O-CG2 3.44Å; L1131-V1135 PolarHBondContact O-N 3.26Å; L1131-V1135 VanDerWaalsContact O-N 3.12Å; V1133-V1135 PolarHBondContact O-N 2.92Å; V1135-W1138 HydrophobicContact CG1-CE3 4.34Å; V1135-W1138 PolarHBondContact O-N 3.19Å; V1135-A1139 VanDerWaalsContact O-CB 3.32Å; V1135-A1139 WeakPolarHBondContact O-CB 3.24Å; V1135-A1139 PolarHBondContact O-N 3.03Å; V1135-L1157 HydrophobicContact CG1-CD2 4.49Å; V1135-V1161 HydrophobicContact CB-CG2 3.96Å; V1135-V1161 HydrophobicContact CG1-CG2 3.85Å; V1135-V1161 HydrophobicContact CG2-CG2 3.99Å; V1135-L1216 HydrophobicContact CG2-CD1 3.93Å; V1135-F1219 HydrophobicContact CB-CE1 4.34Å; V1135-F1219 HydrophobicContact CB-CZ 4.48Å; V1135-F1219 HydrophobicContact CG1-CE1 3.68Å; V1135-F1219 HydrophobicContact CG1-CZ 3.57Å; V1135-F1219 HydrophobicContact CG2-CD1 3.85Å; V1135-F1219 HydrophobicContact CG2-CE1 3.61Å; V1135-F1219 HydrophobicContact CG2-CG 4.46Å; V1135-F1219 HydrophobicContact CG2-CZ 4.05Å
1136K97.7Very high97.1Very high11 Ų1124.9 Ų24.95%0.04811%0.112CC..Hα-helixtrans-57.6-49.9172.2-78.8171.659.2173.50111.3F1023 V1132 V1133 W1138 A1139 Q1140F1023-K1136 PolarHBondContact O-NZ 2.86Å; V1132-K1136 HydrophobicContact CG1-CD 4Å; V1132-K1136 WeakPolarHBondContact O-CB 3.27Å; V1132-K1136 WeakPolarHBondContact O-CG 3.39Å; V1132-K1136 PolarHBondContact O-N 3.33Å; V1133-K1136 PolarHBondContact O-N 3.06Å; K1136-W1138 PolarHBondContact O-N 2.93Å; K1136-A1139 PolarHBondContact O-N 3.2Å; K1136-Q1140 WeakPolarHBondContact O-CB 3.42Å; K1136-Q1140 VanDerWaalsContact O-CG 3.23Å; K1136-Q1140 WeakPolarHBondContact O-CG 3.49Å; K1136-Q1140 PolarHBondContact O-N 2.91Å
1137L97.2Very high96.9Very high35 Ų3523.1 Ų23.118%0.18312%0.115CC..Hα-helixtrans-61.9-41.9179.7-69.2171.8000112.5R978 A982 V1133 I1134 Q1140 Y1141 F1307R978-L1137 HydrophobicContact CG-CD1 4.14Å; A982-L1137 HydrophobicContact CB-CD1 3.8Å; V1133-L1137 HydrophobicContact CG1-CD1 4.05Å; V1133-L1137 HydrophobicContact CG1-CG 4.44Å; V1133-L1137 WeakPolarHBondContact O-CG 3.47Å; V1133-L1137 PolarHBondContact O-N 3.09Å; I1134-L1137 HydrophobicContact CD1-CD1 4.47Å; I1134-L1137 PolarHBondContact O-N 3.38Å; L1137-Q1140 PolarHBondContact O-N 3.16Å; L1137-Y1141 WeakPolarHBondContact O-CB 3.49Å; L1137-Y1141 PolarHBondContact O-N 3.4Å; L1137-F1307 HydrophobicContact CB-CE1 4.21Å; L1137-F1307 HydrophobicContact CB-CZ 4.13Å
1138W98.2Very high96.5Very high0 Ų030.7 Ų30.70%015%0.148CC..Hα-helixtrans-62.8-47.7176162.784.7000111.9I1134 V1135 K1136 Q1140 Y1141 H1142 I1144 F1220 V1289 F1290 S1293 I1306 F1307I1134-W1138 WeakPolarHBondContact O-CB 3.43Å; I1134-W1138 PolarHBondContact O-N 3.05Å; V1135-W1138 HydrophobicContact CG1-CE3 4.34Å; V1135-W1138 PolarHBondContact O-N 3.19Å; K1136-W1138 PolarHBondContact O-N 2.93Å; W1138-Q1140 VanDerWaalsContact C-N 3.29Å; W1138-Q1140 PolarHBondContact O-N 2.89Å; W1138-Y1141 WeakPolarHBondContact O-CB 3.38Å; W1138-Y1141 PolarHBondContact O-N 3.31Å; W1138-H1142 AromaticContact CD1-CD2 3.57Å; W1138-H1142 AromaticContact CD1-NE2 3.61Å; W1138-H1142 AromaticContact CE2-CD2 3.94Å; W1138-H1142 AromaticContact NE1-CD2 3.41Å; W1138-H1142 PolarHBondContact NE1-CD2 3.09Å; W1138-H1142 AromaticContact NE1-NE2 3.51Å; W1138-H1142 PolarHBondContact O-CD2 3.13Å; W1138-H1142 VanDerWaalsContact O-CD2 3.25Å; W1138-H1142 PolarHBondContact O-N 3.4Å; W1138-I1144 HydrophobicContact CH2-CD1 3.75Å; W1138-I1144 HydrophobicContact CZ2-CD1 4.39Å; W1138-I1144 HydrophobicContact CZ3-CD1 3.88Å; W1138-F1220 AromaticContact CD2-CE1 3.56Å; W1138-F1220 HydrophobicContact CD2-CE1 3.56Å; W1138-F1220 AromaticContact CD2-CZ 3.72Å; W1138-F1220 HydrophobicContact CD2-CZ 3.72Å; W1138-F1220 AromaticContact CE2-CE1 3.38Å; W1138-F1220 AromaticContact CE2-CZ 3.68Å; W1138-F1220 AromaticContact CE3-CE1 3.73Å; W1138-F1220 HydrophobicContact CE3-CE1 3.73Å; W1138-F1220 HydrophobicContact CE3-CZ 4.23Å; W1138-F1220 HydrophobicContact CG-CE1 4.28Å; W1138-F1220 AromaticContact CG-CZ 3.94Å; W1138-F1220 HydrophobicContact CG-CZ 3.94Å; W1138-F1220 HydrophobicContact CH2-CD1 4.08Å; W1138-F1220 AromaticContact CH2-CE1 3.6Å; W1138-F1220 HydrophobicContact CH2-CE1 3.6Å; W1138-F1220 AromaticContact CZ2-CD1 3.94Å; W1138-F1220 HydrophobicContact CZ2-CD1 3.94Å; W1138-F1220 AromaticContact CZ2-CE1 3.4Å; W1138-F1220 HydrophobicContact CZ2-CE1 3.4Å; W1138-F1220 VanDerWaalsContact CZ2-CE1 3.4Å; W1138-F1220 HydrophobicContact CZ2-CZ 4.16Å; W1138-F1220 AromaticContact CZ3-CE1 3.76Å; W1138-F1220 HydrophobicContact CZ3-CE1 3.76Å; W1138-F1220 AromaticContact NE1-CE1 3.98Å; W1138-F1220 AromaticContact NE1-CZ 3.83Å; W1138-V1289 HydrophobicContact CH2-CG1 4.16Å; W1138-V1289 HydrophobicContact CZ2-CG1 3.61Å; W1138-F1290 AromaticContact CH2-CD1 3.87Å; W1138-F1290 HydrophobicContact CH2-CD1 3.87Å; W1138-F1290 AromaticContact CH2-CD2 3.81Å; W1138-F1290 HydrophobicContact CH2-CD2 3.81Å; W1138-F1290 AromaticContact CH2-CE1 3.85Å; W1138-F1290 HydrophobicContact CH2-CE1 3.85Å; W1138-F1290 AromaticContact CH2-CE2 3.77Å; W1138-F1290 HydrophobicContact CH2-CE2 3.77Å; W1138-F1290 AromaticContact CH2-CG 3.86Å; W1138-F1290 HydrophobicContact CH2-CG 3.86Å; W1138-F1290 AromaticContact CH2-CZ 3.79Å; W1138-F1290 HydrophobicContact CH2-CZ 3.79Å; W1138-F1290 HydrophobicContact CZ3-CE1 4.12Å; W1138-F1290 HydrophobicContact CZ3-CE2 4.14Å; W1138-F1290 AromaticContact CZ3-CZ 3.87Å; W1138-F1290 HydrophobicContact CZ3-CZ 3.87Å; W1138-S1293 WeakPolarHBondContact CZ2-OG 3.47Å; W1138-S1293 PolarHBondContact NE1-OG 3.07Å; W1138-I1306 HydrophobicContact CG-CD1 4.41Å; W1138-F1307 HydrophobicContact CB-CE1 4.22Å; W1138-F1307 HydrophobicContact CB-CE2 4.49Å; W1138-F1307 HydrophobicContact CB-CZ 3.86Å
1139A97.9Very high96.2Very high0 Ų037.9 Ų37.90%018%0.175CC..Hα-helixtrans-67.1-30.6-179.400000112.7V1135 K1136 D1143 I1144 N1145 L1157V1135-A1139 VanDerWaalsContact O-CB 3.32Å; V1135-A1139 WeakPolarHBondContact O-CB 3.24Å; V1135-A1139 PolarHBondContact O-N 3.03Å; K1136-A1139 PolarHBondContact O-N 3.2Å; A1139-D1143 PolarHBondContact O-N 2.87Å; A1139-I1144 HydrophobicContact CB-CD1 4.3Å; A1139-I1144 HydrophobicContact CB-CG1 3.92Å; A1139-I1144 WeakPolarHBondContact O-CG1 3.44Å; A1139-I1144 PolarHBondContact O-N 3.35Å; A1139-N1145 HydrophobicContact CB-CB 3.9Å; A1139-N1145 PolarHBondContact O-N 3.01Å; A1139-L1157 HydrophobicContact CB-CD1 3.38Å; A1139-L1157 HydrophobicContact CB-CD2 4.36Å
1140Q96.1Very high96Very high95 Ų9539.5 Ų39.544%0.44419%0.185SC..Hα-helixtrans-68.8-43.2171.3-72.8171.5-2.300111.9K1136 L1137 W1138 H1142 D1143 N1145K1136-Q1140 WeakPolarHBondContact O-CB 3.42Å; K1136-Q1140 VanDerWaalsContact O-CG 3.23Å; K1136-Q1140 WeakPolarHBondContact O-CG 3.49Å; K1136-Q1140 PolarHBondContact O-N 2.91Å; L1137-Q1140 PolarHBondContact O-N 3.16Å; W1138-Q1140 VanDerWaalsContact C-N 3.29Å; W1138-Q1140 PolarHBondContact O-N 2.89Å; Q1140-H1142 VanDerWaalsContact C-N 3.25Å; Q1140-H1142 PolarHBondContact O-N 3.25Å; Q1140-D1143 PolarHBondContact O-N 3.32Å; Q1140-N1145 HydrophobicContact CG-CB 3.8Å; Q1140-N1145 WeakPolarHBondContact CG-OD1 3.31Å; Q1140-N1145 PolarHBondContact NE2-OD1 3.4Å
1141Y96.9Very high95.9Very high101 Ų10139.4 Ų39.440%0.39619%0.185SC..Hα-helixtrans-59.8-34.2177.8179.2-87000112.9L1137 W1138 F1307 R1308 P1309L1137-Y1141 WeakPolarHBondContact O-CB 3.49Å; L1137-Y1141 PolarHBondContact O-N 3.4Å; W1138-Y1141 WeakPolarHBondContact O-CB 3.38Å; W1138-Y1141 PolarHBondContact O-N 3.31Å; Y1141-F1307 HydrophobicContact CD1-CD1 4.31Å; Y1141-F1307 AromaticContact CD2-CD1 3.99Å; Y1141-F1307 HydrophobicContact CD2-CD1 3.99Å; Y1141-F1307 VanDerWaalsContact CE1-C 3.5Å; Y1141-F1307 AromaticContact CG-CD1 3.75Å; Y1141-F1307 HydrophobicContact CG-CD1 3.75Å; Y1141-F1307 HydrophobicContact CG-CE1 4.49Å; Y1141-F1307 VanDerWaalsContact CZ-C 3.45Å; Y1141-F1307 PolarHBondContact OH-O 2.84Å; Y1141-F1307 VanDerWaalsContact OH-O 3.06Å; Y1141-R1308 WeakPolarHBondContact OH-CA 3.2Å; Y1141-P1309 VanDerWaalsContact OH-CD 3.28Å; Y1141-P1309 WeakPolarHBondContact OH-CD 3.36Å
1142H97.2Very high95.8Very high18 Ų1839.4 Ų39.48%0.08319%0.185CC..THydrogen-bonded Turntrans-9411.7178.3-64.4-66.1000115W1138 Q1140 I1144 V1289 I1306 R1308 I1310W1138-H1142 AromaticContact CD1-CD2 3.57Å; W1138-H1142 AromaticContact CD1-NE2 3.61Å; W1138-H1142 AromaticContact CE2-CD2 3.94Å; W1138-H1142 AromaticContact NE1-CD2 3.41Å; W1138-H1142 PolarHBondContact NE1-CD2 3.09Å; W1138-H1142 AromaticContact NE1-NE2 3.51Å; W1138-H1142 PolarHBondContact O-CD2 3.13Å; W1138-H1142 VanDerWaalsContact O-CD2 3.25Å; W1138-H1142 PolarHBondContact O-N 3.4Å; Q1140-H1142 VanDerWaalsContact C-N 3.25Å; Q1140-H1142 PolarHBondContact O-N 3.25Å; H1142-I1144 HydrophobicContact CB-CG1 4.27Å; H1142-I1144 PolarHBondContact O-N 3.03Å; H1142-V1289 HydrophobicContact CB-CG1 3.75Å; H1142-V1289 HydrophobicContact CB-CG2 4.4Å; H1142-I1306 PolarHBondContact NE2-O 3.36Å; H1142-R1308 PolarHBondContact CE1-O 3.19Å; H1142-I1310 VanDerWaalsContact CE1-CD1 3.43Å; H1142-I1310 WeakPolarHBondContact CE1-CD1 3.35Å
1143D96Very high95.6Very high65 Ų6540.6 Ų40.635%0.34819%0.193SC..THydrogen-bonded Turntrans56.133.4-179.1177.468.6000113.5A1139 Q1140 R1149 R1285A1139-D1143 PolarHBondContact O-N 2.87Å; Q1140-D1143 PolarHBondContact O-N 3.32Å; D1143-R1149 WeakPolarHBondContact OD1-CD 3.27Å; D1143-R1149 IonicContact OD1-NE 3.5Å; D1143-R1285 PolarHBondContact O-NH2 2.9Å; D1143-R1285 IonicContact OD2-CZ 2.74Å; D1143-R1285 IonicContact OD2-NH1 3.59Å; D1143-R1285 PolarHBondContact OD2-NH1 2.8Å; D1143-R1285 IonicContact OD2-NH2 2.83Å; D1143-R1285 PolarHBondContact OD2-NH2 3.32Å
1144I96.8Very high95.5Very high0 Ų042.7 Ų42.70%021%0.208CC..  trans-110.811.4175.860.6163.8000113.7W1138 A1139 H1142 T1151 I1152 V1286 V1289 F1290W1138-I1144 HydrophobicContact CH2-CD1 3.75Å; W1138-I1144 HydrophobicContact CZ2-CD1 4.39Å; W1138-I1144 HydrophobicContact CZ3-CD1 3.88Å; A1139-I1144 HydrophobicContact CB-CD1 4.3Å; A1139-I1144 HydrophobicContact CB-CG1 3.92Å; A1139-I1144 WeakPolarHBondContact O-CG1 3.44Å; A1139-I1144 PolarHBondContact O-N 3.35Å; H1142-I1144 HydrophobicContact CB-CG1 4.27Å; H1142-I1144 PolarHBondContact O-N 3.03Å; I1144-T1151 WeakPolarHBondContact O-CB 3.37Å; I1144-T1151 PolarHBondContact O-OG1 3.4Å; I1144-I1152 PolarHBondContact O-N 2.72Å; I1144-V1286 HydrophobicContact CB-CG2 4.11Å; I1144-V1286 HydrophobicContact CG2-CG2 3.8Å; I1144-V1289 HydrophobicContact CD1-CB 4.34Å; I1144-V1289 HydrophobicContact CD1-CG1 3.68Å; I1144-V1289 HydrophobicContact CG1-CG1 4.49Å; I1144-F1290 HydrophobicContact CD1-CE2 4.44Å
1145N96.1Very high95.5Very high20 Ų2045.5 Ų45.511%0.10722%0.219CC..  trans-114.133.3178.8-174.1-140.9000114.7A1139 Q1140 I1152 S1154 L1157A1139-N1145 HydrophobicContact CB-CB 3.9Å; A1139-N1145 PolarHBondContact O-N 3.01Å; Q1140-N1145 HydrophobicContact CG-CB 3.8Å; Q1140-N1145 WeakPolarHBondContact CG-OD1 3.31Å; Q1140-N1145 PolarHBondContact NE2-OD1 3.4Å; N1145-I1152 CarbonylContact C-O 3.57Å; N1145-I1152 VanDerWaalsContact CA-O 3.31Å; N1145-I1152 WeakPolarHBondContact CA-O 3.42Å; N1145-I1152 PolarHBondContact ND2-O 2.98Å; N1145-I1152 VanDerWaalsContact ND2-O 3.15Å; N1145-S1154 VanDerWaalsContact ND2-CA 3.33Å; N1145-S1154 WeakPolarHBondContact ND2-CA 3.49Å; N1145-S1154 PolarHBondContact ND2-N 2.95Å; N1145-S1154 PolarHBondContact ND2-OG 3.31Å; N1145-S1154 PolarHBondContact OD1-OG 3.14Å; N1145-L1157 HydrophobicContact CB-CD1 4.07Å; N1145-L1157 WeakPolarHBondContact ND2-CD1 3.39Å
1146D93Very high95.5Very high48 Ų4845.5 Ų45.526%0.25722%0.219SC..  trans-129110.3172.7-174.71.6000112K1148 R1149 T1151D1146-K1148 PolarHBondContact O-N 3.08Å; D1146-K1148 WeakPolarHBondContact OD1-CA 3.5Å; D1146-K1148 WeakPolarHBondContact OD1-CB 3.47Å; D1146-K1148 PolarHBondContact OD1-N 2.95Å; D1146-R1149 HydrophobicContact CB-CB 4.11Å; D1146-R1149 HydrophobicContact CB-CG 4.11Å; D1146-R1149 CarbonylContact O-C 3.59Å; D1146-R1149 WeakPolarHBondContact O-CA 3.02Å; D1146-R1149 PolarHBondContact O-N 3.2Å; D1146-R1149 VanDerWaalsContact OD2-CD 3.32Å; D1146-R1149 WeakPolarHBondContact OD2-CD 3.36Å; D1146-R1149 WeakPolarHBondContact OD2-CG 3.32Å; D1146-R1149 IonicContact OD2-NE 3.41Å; D1146-R1149 PolarHBondContact OD2-NE 2.76Å; D1146-T1151 VanDerWaalsContact C-OG1 3.23Å; D1146-T1151 PolarHBondContact N-OG1 2.72Å; D1146-T1151 PolarHBondContact O-N 3.13Å; D1146-T1151 VanDerWaalsContact O-N 3.09Å; D1146-T1151 PolarHBondContact O-OG1 3.03Å
1147A90.6Very high95.5Very high43 Ų4345.1 Ų45.136%0.35522%0.217SC..G310 helixtrans-66.7-2217700000113.5M1150 S1276A1147-M1150 PolarHBondContact O-N 2.99Å; A1147-S1276 WeakPolarHBondContact O-CB 3.49Å
1148K89.5Confident95.5Very high172 Ų17243.9 Ų43.975%0.74821%0.211SC*.G310 helixtrans-71.1-24.4172.3-56.9168.9-177.7167.90111.2D1146D1146-K1148 PolarHBondContact O-N 3.08Å; D1146-K1148 WeakPolarHBondContact OD1-CA 3.5Å; D1146-K1148 WeakPolarHBondContact OD1-CB 3.47Å; D1146-K1148 PolarHBondContact OD1-N 2.95Å
1149R90.7Very high95.6Very high150 Ų15043.9 Ų43.957%0.56621%0.211SC*.G310 helixtrans-95.120.6174.6-64.7171.9-172.4-97.2-6.3113.2D1143 D1146 T1151D1143-R1149 WeakPolarHBondContact OD1-CD 3.27Å; D1143-R1149 IonicContact OD1-NE 3.5Å; D1146-R1149 HydrophobicContact CB-CB 4.11Å; D1146-R1149 HydrophobicContact CB-CG 4.11Å; D1146-R1149 CarbonylContact O-C 3.59Å; D1146-R1149 WeakPolarHBondContact O-CA 3.02Å; D1146-R1149 PolarHBondContact O-N 3.2Å; D1146-R1149 VanDerWaalsContact OD2-CD 3.32Å; D1146-R1149 WeakPolarHBondContact OD2-CD 3.36Å; D1146-R1149 WeakPolarHBondContact OD2-CG 3.32Å; D1146-R1149 IonicContact OD2-NE 3.41Å; D1146-R1149 PolarHBondContact OD2-NE 2.76Å; R1149-T1151 PolarHBondContact O-N 3.42Å
1150M92.6Very high95.6Very high68 Ų6843.9 Ų43.934%0.33521%0.211SC..THydrogen-bonded Turntrans63.119.5-179.1-45.5178-160.200114.4A1147 S1276 V1277 Y1278 D1279 T1282A1147-M1150 PolarHBondContact O-N 2.99Å; M1150-S1276 CarbonylContact C-O 3.12Å; M1150-S1276 VanDerWaalsContact CA-O 3.23Å; M1150-S1276 WeakPolarHBondContact CA-O 3.33Å; M1150-S1276 WeakPolarHBondContact CB-O 3.4Å; M1150-V1277 WeakPolarHBondContact O-CA 3.41Å; M1150-Y1278 WeakPolarHBondContact CE-OH 3.48Å; M1150-Y1278 HydrophobicContact CG-CE1 4.13Å; M1150-Y1278 HydrophobicContact SD-CE1 4.35Å; M1150-Y1278 HydrophobicContact SD-CE2 4.07Å; M1150-Y1278 PolarHBondContact SD-OH 3.3Å; M1150-Y1278 VanDerWaalsContact SD-OH 3.37Å; M1150-D1279 HydrophobicContact SD-CB 4.08Å; M1150-T1282 HydrophobicContact CB-CG2 4.33Å; M1150-T1282 WeakPolarHBondContact O-CG2 3.23Å
1151T95.1Very high95.7Very high0 Ų039.4 Ų39.40%019%0.19CC..SBendtrans-106-165.8178.168.60000112.2I1144 D1146 R1149 S1276 V1277 T1282I1144-T1151 WeakPolarHBondContact O-CB 3.37Å; I1144-T1151 PolarHBondContact O-OG1 3.4Å; D1146-T1151 VanDerWaalsContact C-OG1 3.23Å; D1146-T1151 PolarHBondContact N-OG1 2.72Å; D1146-T1151 PolarHBondContact O-N 3.13Å; D1146-T1151 VanDerWaalsContact O-N 3.09Å; D1146-T1151 PolarHBondContact O-OG1 3.03Å; R1149-T1151 PolarHBondContact O-N 3.42Å; T1151-S1276 PolarHBondContact O-OG 3.04Å; T1151-V1277 WeakPolarHBondContact O-CG2 3.32Å; T1151-T1282 HydrophobicContact CG2-CG2 3.65Å
1152I97Very high95.8Very high0 Ų034.6 Ų34.60%017%0.171CC..  trans-80.6122.6-167.7-45.6178000110.5I1144 N1145 L1157 M1160 L1262 V1277 V1286 F1290I1144-I1152 PolarHBondContact O-N 2.72Å; N1145-I1152 CarbonylContact C-O 3.57Å; N1145-I1152 VanDerWaalsContact CA-O 3.31Å; N1145-I1152 WeakPolarHBondContact CA-O 3.42Å; N1145-I1152 PolarHBondContact ND2-O 2.98Å; N1145-I1152 VanDerWaalsContact ND2-O 3.15Å; I1152-L1157 HydrophobicContact CB-CD2 4.11Å; I1152-L1157 HydrophobicContact CB-CG 4.13Å; I1152-L1157 HydrophobicContact CD1-CD2 3.86Å; I1152-L1157 HydrophobicContact CG2-CD2 3.81Å; I1152-L1157 HydrophobicContact CG2-CG 3.72Å; I1152-M1160 HydrophobicContact CD1-SD 4.11Å; I1152-M1160 HydrophobicContact CG2-SD 4.34Å; I1152-L1262 HydrophobicContact CD1-CD2 4Å; I1152-L1262 HydrophobicContact CG1-CD2 3.88Å; I1152-L1262 HydrophobicContact CG2-CD2 4.16Å; I1152-V1277 HydrophobicContact CG1-CG2 4.23Å; I1152-V1286 HydrophobicContact CD1-CG1 3.8Å; I1152-V1286 HydrophobicContact CG1-CG1 4.35Å; I1152-F1290 HydrophobicContact CD1-CE2 4.04Å
1153S95.5Very high95.9Very high26 Ų2633.8 Ų33.818%0.18217%0.167CC..  trans-63.2146172.562.30000111.4Y1155 S1156 L1157S1153-Y1155 PolarHBondContact O-N 2.78Å; S1153-S1156 WeakPolarHBondContact O-CA 3.45Å; S1153-S1156 WeakPolarHBondContact O-CB 3.43Å; S1153-S1156 PolarHBondContact O-N 3.19Å; S1153-S1156 WeakPolarHBondContact OG-CB 3.47Å; S1153-S1156 PolarHBondContact OG-N 3.5Å; S1153-S1156 PolarHBondContact OG-OG 3.15Å; S1153-L1157 PolarHBondContact O-N 3.49Å
1154S95.5Very high96Very high44 Ų4431.1 Ų31.131%0.30815%0.153SC..Hα-helixtrans-57-35.5-178.8-49.10000112.8N1145 L1157 V1158N1145-S1154 VanDerWaalsContact ND2-CA 3.33Å; N1145-S1154 WeakPolarHBondContact ND2-CA 3.49Å; N1145-S1154 PolarHBondContact ND2-N 2.95Å; N1145-S1154 PolarHBondContact ND2-OG 3.31Å; N1145-S1154 PolarHBondContact OD1-OG 3.14Å; S1154-L1157 PolarHBondContact O-N 3.32Å; S1154-V1158 WeakPolarHBondContact O-CG2 3.49Å; S1154-V1158 PolarHBondContact O-N 2.77Å; S1154-V1158 VanDerWaalsContact O-N 3.09Å
1155Y97.2Very high96.1Very high60 Ų6031.1 Ų31.124%0.23515%0.153CC..Hα-helixtrans-61.9-45.7171.5174-112.8000111.9N1114 L1118 S1153 L1157 V1158 L1159 P1267 T1273N1114-Y1155 HydrophobicContact CB-CE2 4.14Å; N1114-Y1155 PolarHBondContact ND2-OH 3.33Å; N1114-Y1155 PolarHBondContact OD1-OH 2.98Å; L1118-Y1155 HydrophobicContact CD1-CD2 3.91Å; L1118-Y1155 HydrophobicContact CD1-CE2 3.93Å; S1153-Y1155 PolarHBondContact O-N 2.78Å; Y1155-L1157 VanDerWaalsContact C-N 3.34Å; Y1155-L1157 PolarHBondContact O-N 3.4Å; Y1155-V1158 WeakPolarHBondContact O-CB 3.34Å; Y1155-V1158 PolarHBondContact O-N 3.18Å; Y1155-V1158 VanDerWaalsContact O-N 3.12Å; Y1155-L1159 HydrophobicContact CD1-CD1 4.35Å; Y1155-L1159 HydrophobicContact CE1-CD1 3.74Å; Y1155-L1159 HydrophobicContact CE1-CG 4.34Å; Y1155-L1159 HydrophobicContact CE2-CD1 4.41Å; Y1155-L1159 HydrophobicContact CE2-CD2 3.93Å; Y1155-L1159 HydrophobicContact CE2-CG 4.27Å; Y1155-L1159 WeakPolarHBondContact O-CG 3.49Å; Y1155-L1159 PolarHBondContact O-N 2.84Å; Y1155-P1267 VanDerWaalsContact OH-CD 3.3Å; Y1155-P1267 WeakPolarHBondContact OH-CD 3.46Å; Y1155-T1273 HydrophobicContact CD1-CG2 4.36Å; Y1155-T1273 HydrophobicContact CE1-CG2 3.7Å
1156S98.1Very high96.2Very high0 Ų030.4 Ų30.40%015%0.149CC..Hα-helixtrans-63.2-36.3176.5-60.40000112.8S1153 L1159 M1160 T1273S1153-S1156 WeakPolarHBondContact O-CA 3.45Å; S1153-S1156 WeakPolarHBondContact O-CB 3.43Å; S1153-S1156 PolarHBondContact O-N 3.19Å; S1153-S1156 WeakPolarHBondContact OG-CB 3.47Å; S1153-S1156 PolarHBondContact OG-N 3.5Å; S1153-S1156 PolarHBondContact OG-OG 3.15Å; S1156-L1159 PolarHBondContact O-N 3.26Å; S1156-M1160 WeakPolarHBondContact O-CG 3.43Å; S1156-M1160 PolarHBondContact O-N 2.93Å; S1156-T1273 PolarHBondContact OG-O 2.98Å; S1156-T1273 PolarHBondContact OG-OG1 2.95Å
1157L98Very high96.3Very high2 Ų231.3 Ų31.31%0.0115%0.151CC..Hα-helixtrans-63.1-40.8171.5-74177000112.3V1135 A1139 N1145 I1152 S1153 S1154 Y1155 L1159 M1160 V1161V1135-L1157 HydrophobicContact CG1-CD2 4.49Å; A1139-L1157 HydrophobicContact CB-CD1 3.38Å; A1139-L1157 HydrophobicContact CB-CD2 4.36Å; N1145-L1157 HydrophobicContact CB-CD1 4.07Å; N1145-L1157 WeakPolarHBondContact ND2-CD1 3.39Å; I1152-L1157 HydrophobicContact CB-CD2 4.11Å; I1152-L1157 HydrophobicContact CB-CG 4.13Å; I1152-L1157 HydrophobicContact CD1-CD2 3.86Å; I1152-L1157 HydrophobicContact CG2-CD2 3.81Å; I1152-L1157 HydrophobicContact CG2-CG 3.72Å; S1153-L1157 PolarHBondContact O-N 3.49Å; S1154-L1157 PolarHBondContact O-N 3.32Å; Y1155-L1157 VanDerWaalsContact C-N 3.34Å; Y1155-L1157 PolarHBondContact O-N 3.4Å; L1157-L1159 VanDerWaalsContact C-N 3.35Å; L1157-M1160 HydrophobicContact CD2-SD 4.34Å; L1157-M1160 PolarHBondContact O-N 3.46Å; L1157-V1161 WeakPolarHBondContact O-CG2 3.23Å; L1157-V1161 PolarHBondContact O-N 3.38Å
1158V98.5Very high96.6Very high9 Ų930.6 Ų30.66%0.05515%0.145CC..Hα-helixtrans-60.2-46.5174.3176.90000110F1023 L1118 V1132 S1154 Y1155 M1160 V1161 L1162F1023-V1158 HydrophobicContact CD2-CG1 3.89Å; F1023-V1158 HydrophobicContact CE2-CG1 3.78Å; F1023-V1158 HydrophobicContact CZ-CG1 4.49Å; L1118-V1158 HydrophobicContact CD1-CG1 4.23Å; L1118-V1158 HydrophobicContact CD2-CG1 3.64Å; V1132-V1158 HydrophobicContact CG1-CG2 3.78Å; S1154-V1158 WeakPolarHBondContact O-CG2 3.49Å; S1154-V1158 PolarHBondContact O-N 2.77Å; S1154-V1158 VanDerWaalsContact O-N 3.09Å; Y1155-V1158 WeakPolarHBondContact O-CB 3.34Å; Y1155-V1158 PolarHBondContact O-N 3.18Å; Y1155-V1158 VanDerWaalsContact O-N 3.12Å; V1158-M1160 VanDerWaalsContact C-N 3.33Å; V1158-M1160 PolarHBondContact O-N 3.16Å; V1158-V1161 PolarHBondContact O-N 2.95Å; V1158-L1162 HydrophobicContact CG1-CD1 4.09Å; V1158-L1162 HydrophobicContact CG1-CG 4.29Å; V1158-L1162 WeakPolarHBondContact O-CG 3.47Å; V1158-L1162 PolarHBondContact O-N 3.45Å
1159L98.7Very high97Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-61.2-39.4176-56.6-173.7000111.9L1118 Y1155 S1156 L1157 V1161 L1162 H1163 I1235 I1264 T1273L1118-L1159 HydrophobicContact CD2-CD2 4.27Å; Y1155-L1159 HydrophobicContact CD1-CD1 4.35Å; Y1155-L1159 HydrophobicContact CE1-CD1 3.74Å; Y1155-L1159 HydrophobicContact CE1-CG 4.34Å; Y1155-L1159 HydrophobicContact CE2-CD1 4.41Å; Y1155-L1159 HydrophobicContact CE2-CD2 3.93Å; Y1155-L1159 HydrophobicContact CE2-CG 4.27Å; Y1155-L1159 WeakPolarHBondContact O-CG 3.49Å; Y1155-L1159 PolarHBondContact O-N 2.84Å; S1156-L1159 PolarHBondContact O-N 3.26Å; L1157-L1159 VanDerWaalsContact C-N 3.35Å; L1159-V1161 VanDerWaalsContact C-N 3.35Å; L1159-V1161 PolarHBondContact O-N 3.08Å; L1159-L1162 PolarHBondContact O-N 2.99Å; L1159-H1163 WeakPolarHBondContact O-CB 3.44Å; L1159-H1163 PolarHBondContact O-N 3Å; L1159-I1235 HydrophobicContact CB-CG1 4.18Å; L1159-I1235 HydrophobicContact CD2-CG1 3.95Å; L1159-I1235 HydrophobicContact CG-CG1 4.5Å; L1159-I1235 WeakPolarHBondContact O-CD1 3.16Å; L1159-I1264 HydrophobicContact CB-CG2 4.07Å; L1159-I1264 HydrophobicContact CD1-CG2 3.69Å; L1159-T1273 HydrophobicContact CD1-CG2 3.8Å
1160M98.7Very high97.1Very high1 Ų120.8 Ų20.81%0.00512%0.116CC..Hα-helixtrans-61.1-40.5175-71.9174.57300112.7I1152 S1156 L1157 V1158 Y1164 F1219 Y1223 I1233 L1262 I1264 F1290I1152-M1160 HydrophobicContact CD1-SD 4.11Å; I1152-M1160 HydrophobicContact CG2-SD 4.34Å; S1156-M1160 WeakPolarHBondContact O-CG 3.43Å; S1156-M1160 PolarHBondContact O-N 2.93Å; L1157-M1160 HydrophobicContact CD2-SD 4.34Å; L1157-M1160 PolarHBondContact O-N 3.46Å; V1158-M1160 VanDerWaalsContact C-N 3.33Å; V1158-M1160 PolarHBondContact O-N 3.16Å; M1160-Y1164 WeakPolarHBondContact O-CB 3.34Å; M1160-Y1164 PolarHBondContact O-N 3.36Å; M1160-Y1164 VanDerWaalsContact O-N 3.09Å; M1160-F1219 HydrophobicContact CB-CE2 4.24Å; M1160-Y1223 WeakPolarHBondContact CA-OH 3.41Å; M1160-Y1223 HydrophobicContact CB-CE2 3.88Å; M1160-Y1223 HydrophobicContact CE-CD1 3.68Å; M1160-Y1223 HydrophobicContact CE-CD2 3.89Å; M1160-Y1223 HydrophobicContact CE-CE1 3.88Å; M1160-Y1223 HydrophobicContact CE-CE2 4.06Å; M1160-Y1223 HydrophobicContact CE-CG 3.69Å; M1160-Y1223 WeakPolarHBondContact O-CE2 3.11Å; M1160-Y1223 PolarHBondContact O-OH 2.87Å; M1160-I1233 HydrophobicContact CG-CD1 3.85Å; M1160-L1262 HydrophobicContact SD-CD2 4.23Å; M1160-I1264 HydrophobicContact CG-CD1 3.69Å; M1160-I1264 HydrophobicContact SD-CD1 4.22Å; M1160-F1290 HydrophobicContact CE-CE1 4.18Å; M1160-F1290 HydrophobicContact CE-CE2 4.21Å; M1160-F1290 HydrophobicContact CE-CZ 3.58Å
1161V98.8Very high97.3Very high1 Ų120.2 Ų20.21%0.00612%0.118CC..Hα-helixtrans-69.7-42.3176.6176.50000111.3L1131 V1132 V1135 L1157 V1158 L1159 Y1164 L1165 F1219L1131-V1161 HydrophobicContact CB-CG1 4.29Å; L1131-V1161 HydrophobicContact CD2-CG1 3.76Å; L1131-V1161 HydrophobicContact CG-CG1 3.81Å; V1132-V1161 HydrophobicContact CG2-CB 3.92Å; V1132-V1161 HydrophobicContact CG2-CG1 3.61Å; V1132-V1161 HydrophobicContact CG2-CG2 4.48Å; V1135-V1161 HydrophobicContact CB-CG2 3.96Å; V1135-V1161 HydrophobicContact CG1-CG2 3.85Å; V1135-V1161 HydrophobicContact CG2-CG2 3.99Å; L1157-V1161 WeakPolarHBondContact O-CG2 3.23Å; L1157-V1161 PolarHBondContact O-N 3.38Å; V1158-V1161 PolarHBondContact O-N 2.95Å; L1159-V1161 VanDerWaalsContact C-N 3.35Å; L1159-V1161 PolarHBondContact O-N 3.08Å; V1161-Y1164 WeakPolarHBondContact O-CB 3.33Å; V1161-Y1164 PolarHBondContact O-N 3.04Å; V1161-L1165 HydrophobicContact CG1-CD1 4.28Å; V1161-L1165 WeakPolarHBondContact O-CG 3.15Å; V1161-L1165 PolarHBondContact O-N 3.23Å; V1161-L1165 VanDerWaalsContact O-N 3.09Å; V1161-F1219 HydrophobicContact CB-CE2 4.33Å; V1161-F1219 HydrophobicContact CG2-CD2 4.12Å; V1161-F1219 HydrophobicContact CG2-CE2 3.54Å; V1161-F1219 HydrophobicContact CG2-CZ 3.96Å
1162L98.7Very high97.3Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-62.5-45.4176.3-67.8-180000111.7L1118 Y1121 T1128 V1158 L1159 Y1164 L1165 Q1166 L1174 I1235L1118-L1162 HydrophobicContact CD2-CD1 3.39Å; Y1121-L1162 HydrophobicContact CD2-CD1 3.68Å; Y1121-L1162 HydrophobicContact CE2-CD1 4.3Å; Y1121-L1162 HydrophobicContact CG-CD1 4.13Å; Y1121-L1162 HydrophobicContact CG-CD2 4.14Å; T1128-L1162 HydrophobicContact CG2-CD2 3.78Å; V1158-L1162 HydrophobicContact CG1-CD1 4.09Å; V1158-L1162 HydrophobicContact CG1-CG 4.29Å; V1158-L1162 WeakPolarHBondContact O-CG 3.47Å; V1158-L1162 PolarHBondContact O-N 3.45Å; L1159-L1162 PolarHBondContact O-N 2.99Å; L1162-Y1164 VanDerWaalsContact C-N 3.32Å; L1162-Y1164 PolarHBondContact O-N 3.5Å; L1162-L1165 CarbonylContact O-C 3.46Å; L1162-L1165 PolarHBondContact O-N 3.18Å; L1162-L1165 VanDerWaalsContact O-N 3.13Å; L1162-Q1166 WeakPolarHBondContact O-CB 3.41Å; L1162-Q1166 VanDerWaalsContact O-CG 3.27Å; L1162-Q1166 WeakPolarHBondContact O-CG 3.46Å; L1162-Q1166 PolarHBondContact O-N 3.31Å; L1162-L1174 HydrophobicContact CD2-CD1 3.45Å; L1162-L1174 VanDerWaalsContact CD2-CD1 3.45Å; L1162-I1235 HydrophobicContact CB-CD1 3.87Å
1163H98.7Very high97.4Very high0 Ų024 Ų240%014%0.136CC..Hα-helixtrans-59.2-42.3175.5174.288.5000112L1159 L1165 Q1166 H1167 Y1222 Y1223 I1233 I1235L1159-H1163 WeakPolarHBondContact O-CB 3.44Å; L1159-H1163 PolarHBondContact O-N 3Å; H1163-L1165 VanDerWaalsContact C-N 3.3Å; H1163-L1165 PolarHBondContact O-N 3.5Å; H1163-Q1166 PolarHBondContact O-N 3.12Å; H1163-H1167 AromaticContact CE1-CD2 3.63Å; H1163-H1167 AromaticContact CE1-CG 3.94Å; H1163-H1167 AromaticContact NE2-CD2 3.67Å; H1163-H1167 WeakPolarHBondContact O-CB 3.28Å; H1163-H1167 PolarHBondContact O-N 2.91Å; H1163-Y1222 AromaticContact CD2-CE1 3.72Å; H1163-Y1222 AromaticContact NE2-CE1 3.73Å; H1163-Y1222 AromaticContact NE2-CZ 3.68Å; H1163-Y1222 PolarHBondContact NE2-OH 3.46Å; H1163-Y1223 PolarHBondContact CD2-OH 3.37Å; H1163-Y1223 VanDerWaalsContact CD2-OH 3.26Å; H1163-I1233 HydrophobicContact CB-CG2 3.55Å; H1163-I1235 HydrophobicContact CB-CD1 3.76Å
1164Y98.7Very high97.5Very high9 Ų922.9 Ų22.94%0.03513%0.127CC..Iπ-helixtrans-57.4-45.4175.1169.8-98.2000111.4L1131 M1160 V1161 L1162 A1168 C1169 H1215 G1218 F1219 Y1222L1131-Y1164 HydrophobicContact CD2-CD1 4.33Å; L1131-Y1164 HydrophobicContact CD2-CE1 4.49Å; M1160-Y1164 WeakPolarHBondContact O-CB 3.34Å; M1160-Y1164 PolarHBondContact O-N 3.36Å; M1160-Y1164 VanDerWaalsContact O-N 3.09Å; V1161-Y1164 WeakPolarHBondContact O-CB 3.33Å; V1161-Y1164 PolarHBondContact O-N 3.04Å; L1162-Y1164 VanDerWaalsContact C-N 3.32Å; L1162-Y1164 PolarHBondContact O-N 3.5Å; Y1164-A1168 HydrophobicContact CD2-CB 3.54Å; Y1164-A1168 HydrophobicContact CE2-CB 4.04Å; Y1164-A1168 HydrophobicContact CG-CB 4.34Å; Y1164-A1168 WeakPolarHBondContact O-CB 3.42Å; Y1164-A1168 PolarHBondContact O-N 2.83Å; Y1164-C1169 HydrophobicContact CE1-CB 4.38Å; Y1164-C1169 PolarHBondContact O-N 2.97Å; Y1164-H1215 HydrophobicContact CE1-CB 4.07Å; Y1164-H1215 AromaticContact CE1-ND1 3.56Å; Y1164-H1215 WeakPolarHBondContact CE1-O 3.46Å; Y1164-G1218 WeakPolarHBondContact CE2-O 3.29Å; Y1164-F1219 HydrophobicContact CD1-CB 4.07Å; Y1164-F1219 HydrophobicContact CD1-CD2 4.44Å; Y1164-F1219 HydrophobicContact CD2-CB 4.26Å; Y1164-F1219 HydrophobicContact CE1-CB 4.23Å; Y1164-F1219 HydrophobicContact CE2-CB 4.44Å; Y1164-F1219 HydrophobicContact CG-CB 4.11Å; Y1164-F1219 HydrophobicContact CG-CD2 4.11Å; Y1164-Y1222 HydrophobicContact CD2-CD1 4.44Å; Y1164-Y1222 HydrophobicContact CD2-CG 4.35Å
1165L98.4Very high97.5Very high0 Ų021.4 Ų21.40%012%0.117CC..Iπ-helixtrans-72.8-22178.2-66176.5000114.5T1128 L1131 V1161 L1162 H1163 V1173 L1174T1128-L1165 HydrophobicContact CG2-CD1 4.02Å; L1131-L1165 HydrophobicContact CD2-CD1 4.14Å; L1131-L1165 HydrophobicContact CD2-CD2 3.84Å; L1131-L1165 HydrophobicContact CD2-CG 4.11Å; V1161-L1165 HydrophobicContact CG1-CD1 4.28Å; V1161-L1165 WeakPolarHBondContact O-CG 3.15Å; V1161-L1165 PolarHBondContact O-N 3.23Å; V1161-L1165 VanDerWaalsContact O-N 3.09Å; L1162-L1165 CarbonylContact O-C 3.46Å; L1162-L1165 PolarHBondContact O-N 3.18Å; L1162-L1165 VanDerWaalsContact O-N 3.13Å; H1163-L1165 VanDerWaalsContact C-N 3.3Å; H1163-L1165 PolarHBondContact O-N 3.5Å; L1165-V1173 HydrophobicContact CB-CB 4.16Å; L1165-V1173 HydrophobicContact CD2-CB 3.9Å; L1165-V1173 HydrophobicContact CD2-CG1 4.08Å; L1165-V1173 HydrophobicContact CD2-CG2 4.05Å; L1165-V1173 PolarHBondContact O-N 2.91Å; L1165-L1174 HydrophobicContact CB-CB 4.32Å; L1165-L1174 HydrophobicContact CB-CD1 3.83Å; L1165-L1174 HydrophobicContact CB-CG 3.9Å; L1165-L1174 HydrophobicContact CD1-CD1 3.96Å; L1165-L1174 HydrophobicContact CD1-CG 4.37Å; L1165-L1174 PolarHBondContact O-N 3.45Å
1166Q97.3Very high97.5Very high6 Ų619.4 Ų19.43%0.02811%0.111CC..Iπ-helixtrans-90.7-27.1179.7-75.8-178.2-45.400114.5Y1121 L1162 H1163 H1172 L1174 P1175 I1235Y1121-Q1166 VanDerWaalsContact CE1-NE2 3.3Å; Y1121-Q1166 VanDerWaalsContact CZ-NE2 3.26Å; Y1121-Q1166 PolarHBondContact OH-NE2 3.21Å; L1162-Q1166 WeakPolarHBondContact O-CB 3.41Å; L1162-Q1166 VanDerWaalsContact O-CG 3.27Å; L1162-Q1166 WeakPolarHBondContact O-CG 3.46Å; L1162-Q1166 PolarHBondContact O-N 3.31Å; H1163-Q1166 PolarHBondContact O-N 3.12Å; Q1166-H1172 PolarHBondContact O-CD2 3.38Å; Q1166-H1172 PolarHBondContact O-ND1 3.44Å; Q1166-L1174 WeakPolarHBondContact CA-O 3.47Å; Q1166-L1174 HydrophobicContact CG-CB 3.68Å; Q1166-P1175 PolarHBondContact NE2-O 3.13Å; Q1166-I1235 VanDerWaalsContact OE1-CD1 3.24Å
1167H97Very high97.4Very high67 Ų6719.4 Ų19.431%0.3111%0.111SC..Iπ-helixtrans-136.4-38.9-164.5-17670.5000113.7H1163 H1172 G1238 G1239H1163-H1167 AromaticContact CE1-CD2 3.63Å; H1163-H1167 AromaticContact CE1-CG 3.94Å; H1163-H1167 AromaticContact NE2-CD2 3.67Å; H1163-H1167 WeakPolarHBondContact O-CB 3.28Å; H1163-H1167 PolarHBondContact O-N 2.91Å; H1167-H1172 PolarHBondContact O-CE1 2.81Å; H1167-G1238 PolarHBondContact ND1-O 2.73Å; H1167-G1239 WeakPolarHBondContact ND1-CA 3.18Å
1168A96.8Very high97.2Very high28 Ų2820.3 Ų20.323%0.23112%0.115CC..Iπ-helixtrans-90.4-38.6-169.500000113.8Y1164 Y1222Y1164-A1168 HydrophobicContact CD2-CB 3.54Å; Y1164-A1168 HydrophobicContact CE2-CB 4.04Å; Y1164-A1168 HydrophobicContact CG-CB 4.34Å; Y1164-A1168 WeakPolarHBondContact O-CB 3.42Å; Y1164-A1168 PolarHBondContact O-N 2.83Å; A1168-Y1222 HydrophobicContact CB-CD1 3.94Å; A1168-Y1222 HydrophobicContact CB-CD2 3.49Å; A1168-Y1222 VanDerWaalsContact CB-CD2 3.49Å; A1168-Y1222 HydrophobicContact CB-CE1 3.95Å; A1168-Y1222 HydrophobicContact CB-CE2 3.5Å; A1168-Y1222 HydrophobicContact CB-CG 3.71Å
1169C96.2Very high97Very high4 Ų424.1 Ų24.13%0.02714%0.142CC..SBendtrans-78140.1168.268.90000110Y1164 P1171 H1172 H1215Y1164-C1169 HydrophobicContact CE1-CB 4.38Å; Y1164-C1169 PolarHBondContact O-N 2.97Å; C1169-P1171 CarbonylContact C-O 3.59Å; C1169-P1171 CarbonylContact O-C 3.39Å; C1169-H1172 WeakPolarHBondContact O-CA 3.35Å; C1169-H1172 PolarHBondContact O-ND1 3.46Å; C1169-H1215 WeakPolarHBondContact CB-CE1 3.33Å; C1169-H1215 PolarHBondContact SG-CE1 3.22Å
1170V94.4Very high96.7Very high111 Ų11128.2 Ų28.267%0.67316%0.164SC*.SBendtrans-133.5122.5-178.9-179.20000108.5
1171P96Very high96.3Very high57 Ų5732.5 Ų32.537%0.3718%0.181SC..SBendcis-57.8156.4-4.5-21.233.1000112.7C1169 L1207 N1208C1169-P1171 CarbonylContact C-O 3.59Å; C1169-P1171 CarbonylContact O-C 3.39Å; P1171-L1207 HydrophobicContact CB-CB 4.05Å; P1171-L1207 HydrophobicContact CG-CB 4.23Å; P1171-N1208 HydrophobicContact CB-CB 4.31Å; P1171-N1208 WeakPolarHBondContact O-CB 3.37Å; P1171-N1208 PolarHBondContact O-ND2 2.8Å
1172H96Very high95.9Very high80 Ų8035.8 Ų35.837%0.3720%0.202SC..  trans-70142.4178.7-52.9-41.8000110.8Q1166 H1167 C1169Q1166-H1172 PolarHBondContact O-CD2 3.38Å; Q1166-H1172 PolarHBondContact O-ND1 3.44Å; H1167-H1172 PolarHBondContact O-CE1 2.81Å; C1169-H1172 WeakPolarHBondContact O-CA 3.35Å; C1169-H1172 PolarHBondContact O-ND1 3.46Å
1173V97.3Very high95.3Very high0 Ų042.5 Ų42.50%023%0.233CC..SBendtrans-86.1-32.3176.11720000111.2D1125 L1165 Y1204 N1208 H1215D1125-V1173 HydrophobicContact CB-CG1 3.72Å; L1165-V1173 HydrophobicContact CB-CB 4.16Å; L1165-V1173 HydrophobicContact CD2-CB 3.9Å; L1165-V1173 HydrophobicContact CD2-CG1 4.08Å; L1165-V1173 HydrophobicContact CD2-CG2 4.05Å; L1165-V1173 PolarHBondContact O-N 2.91Å; V1173-Y1204 WeakPolarHBondContact O-CD1 3.49Å; V1173-N1208 HydrophobicContact CG2-CB 3.64Å; V1173-H1215 WeakPolarHBondContact CG2-CE1 3.49Å
1174L97.6Very high94.6Very high1 Ų145.7 Ų45.71%0.00525%0.247CC..SBendtrans-121.1142.1179.3-66.1-179.9000111.2Y1121 M1124 D1125 T1128 L1162 L1165 Q1166Y1121-L1174 HydrophobicContact CD1-CD1 4.22Å; M1124-L1174 HydrophobicContact CB-CD2 3.71Å; D1125-L1174 HydrophobicContact CB-CD2 4.3Å; T1128-L1174 HydrophobicContact CG2-CD1 4.1Å; L1162-L1174 HydrophobicContact CD2-CD1 3.45Å; L1162-L1174 VanDerWaalsContact CD2-CD1 3.45Å; L1165-L1174 HydrophobicContact CB-CB 4.32Å; L1165-L1174 HydrophobicContact CB-CD1 3.83Å; L1165-L1174 HydrophobicContact CB-CG 3.9Å; L1165-L1174 HydrophobicContact CD1-CD1 3.96Å; L1165-L1174 HydrophobicContact CD1-CG 4.37Å; L1165-L1174 PolarHBondContact O-N 3.45Å; Q1166-L1174 WeakPolarHBondContact CA-O 3.47Å; Q1166-L1174 HydrophobicContact CG-CB 3.68Å
1175P96.4Very high94.1Very high14 Ų1445.5 Ų45.59%0.09125%0.247CC..  trans-82.3173.1170.235.8-35.2000111.2Y1121 M1124 Q1166 L1180 Y1204Y1121-P1175 WeakPolarHBondContact CE1-O 3.34Å; M1124-P1175 HydrophobicContact CE-CG 3.54Å; M1124-P1175 HydrophobicContact SD-CG 3.73Å; Q1166-P1175 PolarHBondContact NE2-O 3.13Å; P1175-L1180 HydrophobicContact CB-CD1 3.57Å; P1175-L1180 HydrophobicContact CB-CG 4.25Å; P1175-L1180 HydrophobicContact CG-CD1 3.55Å; P1175-Y1204 HydrophobicContact CB-CD2 4.23Å; P1175-Y1204 HydrophobicContact CB-CE2 3.86Å; P1175-Y1204 HydrophobicContact CG-CD2 3.76Å; P1175-Y1204 HydrophobicContact CG-CE2 3.93Å; P1175-Y1204 HydrophobicContact CG-CG 4.09Å
1176C96.5Very high93.3Very high18 Ų1850.2 Ų50.212%0.12227%0.269CS..  trans-85.1109.5165.1-174.10000110.6H1178 S1179 L1180 I1235 R1236C1176-H1178 VanDerWaalsContact C-N 3.25Å; C1176-H1178 PolarHBondContact O-N 3.43Å; C1176-S1179 PolarHBondContact O-N 2.79Å; C1176-L1180 PolarHBondContact O-N 3.3Å; C1176-L1180 VanDerWaalsContact O-N 3.14Å; C1176-I1235 PolarHBondContact SG-O 3.29Å; C1176-R1236 PolarHBondContact SG-O 2.85Å; C1176-R1236 VanDerWaalsContact SG-O 3.39Å
1177L95.7Very high92.6Very high0 Ų054.1 Ų54.10%029%0.29CS..Hα-helixtrans-62.7-29-179.4-79.3175.4000113.4L1117 L1120 Y1121 M1124 S1179 L1180 Y1181 F1185 I1201L1117-L1177 HydrophobicContact CD1-CB 4.08Å; L1117-L1177 HydrophobicContact CD1-CD1 4.04Å; L1120-L1177 HydrophobicContact CB-CD1 3.74Å; Y1121-L1177 HydrophobicContact CD1-CD1 3.64Å; Y1121-L1177 HydrophobicContact CD1-CG 4Å; Y1121-L1177 HydrophobicContact CD2-CD1 4.05Å; Y1121-L1177 HydrophobicContact CE1-CB 4.02Å; Y1121-L1177 HydrophobicContact CE1-CD1 3.52Å; Y1121-L1177 HydrophobicContact CE1-CG 3.47Å; Y1121-L1177 VanDerWaalsContact CE1-CG 3.47Å; Y1121-L1177 HydrophobicContact CE2-CD1 3.97Å; Y1121-L1177 HydrophobicContact CG-CD1 3.88Å; Y1121-L1177 PolarHBondContact OH-N 3.43Å; Y1121-L1177 VanDerWaalsContact OH-N 3.15Å; M1124-L1177 HydrophobicContact CE-CD2 3.68Å; M1124-L1177 HydrophobicContact SD-CD1 4.21Å; M1124-L1177 HydrophobicContact SD-CD2 3.73Å; M1124-L1177 HydrophobicContact SD-CG 3.96Å; L1177-S1179 VanDerWaalsContact C-N 3.27Å; L1177-S1179 PolarHBondContact O-N 2.84Å; L1177-L1180 PolarHBondContact O-N 3.49Å; L1177-Y1181 HydrophobicContact CD2-CD2 3.62Å; L1177-Y1181 HydrophobicContact CD2-CE2 3.59Å; L1177-Y1181 PolarHBondContact O-N 3.16Å; L1177-F1185 HydrophobicContact CB-CD2 4.26Å; L1177-F1185 HydrophobicContact CB-CE2 3.73Å; L1177-F1185 HydrophobicContact CB-CZ 4.25Å; L1177-F1185 HydrophobicContact CD1-CZ 4.4Å; L1177-F1185 WeakPolarHBondContact O-CD2 3.11Å; L1177-I1201 HydrophobicContact CD2-CD1 3.94Å
1178H94.9Very high91.2Very high20 Ų2054 Ų549%0.09331%0.307CS..Hα-helixtrans-67.3-28.3175.2-67.777.3000112.5C1176 P1182 F1185 F1268C1176-H1178 VanDerWaalsContact C-N 3.25Å; C1176-H1178 PolarHBondContact O-N 3.43Å; H1178-P1182 WeakPolarHBondContact O-CA 3.5Å; H1178-F1185 WeakPolarHBondContact CD2-CB 3.39Å; H1178-F1268 AromaticContact NE2-CE1 3.95Å
1179S93.8Very high89.9Confident89 Ų8956.5 Ų56.562%0.62231%0.313SS*.Hα-helixtrans-83.9-32.5175.8-55.50000112.6C1176 L1177C1176-S1179 PolarHBondContact O-N 2.79Å; L1177-S1179 VanDerWaalsContact C-N 3.27Å; L1177-S1179 PolarHBondContact O-N 2.84Å
1180L92.5Very high88.2Confident87 Ų8762.5 Ų62.546%0.45534%0.341SS..Hα-helixtrans-78.8-37.8178-67-174.9000113.1P1175 C1176 L1177P1175-L1180 HydrophobicContact CB-CD1 3.57Å; P1175-L1180 HydrophobicContact CB-CG 4.25Å; P1175-L1180 HydrophobicContact CG-CD1 3.55Å; C1176-L1180 PolarHBondContact O-N 3.3Å; C1176-L1180 VanDerWaalsContact O-N 3.14Å; L1177-L1180 PolarHBondContact O-N 3.49Å
1181Y91.3Very high86.9Confident90 Ų9061 Ų6135%0.35333%0.329SS..  trans-131.661-175.1-50.7-80.2000111.2L1177 E1183 K1184 F1185 I1201L1177-Y1181 HydrophobicContact CD2-CD2 3.62Å; L1177-Y1181 HydrophobicContact CD2-CE2 3.59Å; L1177-Y1181 PolarHBondContact O-N 3.16Å; Y1181-E1183 PolarHBondContact O-N 2.81Å; Y1181-E1183 VanDerWaalsContact O-N 3.12Å; Y1181-K1184 HydrophobicContact CG-CD 4.49Å; Y1181-K1184 PolarHBondContact O-N 3.08Å; Y1181-F1185 HydrophobicContact CD2-CE2 4.47Å; Y1181-F1185 WeakPolarHBondContact O-CD2 3.35Å; Y1181-F1185 PolarHBondContact O-N 2.88Å; Y1181-I1201 HydrophobicContact CE2-CD1 3.92Å
1182P89.3Confident86Confident71 Ų7158.7 Ų58.746%0.46131%0.314SS..G310 helixtrans-55-35.6-175.922.2-33.7000112.7H1178 K1184 F1185 Q1186H1178-P1182 WeakPolarHBondContact O-CA 3.5Å; P1182-K1184 VanDerWaalsContact C-N 3.28Å; P1182-K1184 PolarHBondContact O-N 2.77Å; P1182-F1185 CarbonylContact O-C 3.38Å; P1182-F1185 PolarHBondContact O-N 2.8Å; P1182-Q1186 VanDerWaalsContact O-CG 3.22Å; P1182-Q1186 WeakPolarHBondContact O-CG 3.26Å; P1182-Q1186 PolarHBondContact O-N 2.97Å; P1182-Q1186 VanDerWaalsContact O-N 3.13Å
1183E85.5Confident84.7Confident140 Ų14056.7 Ų56.765%0.65431%0.306SS*.G310 helixtrans-62.2-30.1177.7-52.7-57.617000114Y1181 Q1186Y1181-E1183 PolarHBondContact O-N 2.81Å; Y1181-E1183 VanDerWaalsContact O-N 3.12Å; E1183-Q1186 PolarHBondContact OE2-NE2 3.14Å
1184K85.1Confident83.2Confident68 Ų6863.6 Ų63.630%0.29634%0.343SS..G310 helixtrans-82.1-23178.3-71.3-174164.5-1670113.2Y1116 Y1181 P1182 E1199Y1116-K1184 WeakPolarHBondContact OH-CD 3.34Å; Y1116-K1184 PolarHBondContact OH-NZ 3.36Å; Y1181-K1184 HydrophobicContact CG-CD 4.49Å; Y1181-K1184 PolarHBondContact O-N 3.08Å; P1182-K1184 VanDerWaalsContact C-N 3.28Å; P1182-K1184 PolarHBondContact O-N 2.77Å; K1184-E1199 IonicContact NZ-OE1 2.71Å; K1184-E1199 PolarHBondContact NZ-OE1 3.01Å; K1184-E1199 IonicContact NZ-OE2 3.82Å; K1184-E1199 PolarHBondContact NZ-OE2 3.01Å
1185F88.4Confident82.3Confident5 Ų565.4 Ų65.42%0.02235%0.352CS..SBendtrans-125.229-170.4-52.5-67.7000113.1Y1116 L1117 L1120 L1177 H1178 Y1181 P1182 L1187 F1268Y1116-F1185 AromaticContact CD1-CE1 3.8Å; Y1116-F1185 HydrophobicContact CD1-CE1 3.8Å; Y1116-F1185 HydrophobicContact CD1-CZ 4.44Å; Y1116-F1185 AromaticContact CE1-CE1 3.8Å; Y1116-F1185 HydrophobicContact CE1-CE1 3.8Å; Y1116-F1185 HydrophobicContact CE1-CZ 4.1Å; L1117-F1185 HydrophobicContact CB-CE1 4.15Å; L1117-F1185 HydrophobicContact CD1-CD1 3.92Å; L1117-F1185 HydrophobicContact CD1-CE1 3.62Å; L1117-F1185 HydrophobicContact CD1-CE2 4.46Å; L1117-F1185 HydrophobicContact CD1-CG 4.46Å; L1117-F1185 HydrophobicContact CD1-CZ 3.92Å; L1117-F1185 HydrophobicContact CG-CE1 4.5Å; L1120-F1185 HydrophobicContact CD1-CE1 4.35Å; L1120-F1185 HydrophobicContact CD1-CZ 3.7Å; L1177-F1185 HydrophobicContact CB-CD2 4.26Å; L1177-F1185 HydrophobicContact CB-CE2 3.73Å; L1177-F1185 HydrophobicContact CB-CZ 4.25Å; L1177-F1185 HydrophobicContact CD1-CZ 4.4Å; L1177-F1185 WeakPolarHBondContact O-CD2 3.11Å; H1178-F1185 WeakPolarHBondContact CD2-CB 3.39Å; Y1181-F1185 HydrophobicContact CD2-CE2 4.47Å; Y1181-F1185 WeakPolarHBondContact O-CD2 3.35Å; Y1181-F1185 PolarHBondContact O-N 2.88Å; P1182-F1185 CarbonylContact O-C 3.38Å; P1182-F1185 PolarHBondContact O-N 2.8Å; F1185-L1187 PolarHBondContact O-N 3.16Å; F1185-F1268 HydrophobicContact CB-CE1 4.25Å; F1185-F1268 HydrophobicContact CD1-CE1 4.12Å; F1185-F1268 HydrophobicContact CD1-CZ 4.01Å
1186Q82Confident81.5Confident98 Ų9867.9 Ų67.946%0.45837%0.365SS..  trans-58.5134177-63.2-166.48.800111.9P1182 E1183P1182-Q1186 VanDerWaalsContact O-CG 3.22Å; P1182-Q1186 WeakPolarHBondContact O-CG 3.26Å; P1182-Q1186 PolarHBondContact O-N 2.97Å; P1182-Q1186 VanDerWaalsContact O-N 3.13Å; E1183-Q1186 PolarHBondContact OE2-NE2 3.14Å
1187L80.8Confident80.7Confident89 Ų8967.4 Ų67.447%0.46636%0.361SS..THydrogen-bonded Turntrans-67.8136.8173.9-65.1178.8000110.9F1185 Q1189 P1267 L1270F1185-L1187 PolarHBondContact O-N 3.16Å; L1187-Q1189 VanDerWaalsContact C-N 3.32Å; L1187-Q1189 PolarHBondContact O-N 2.86Å; L1187-P1267 WeakPolarHBondContact CD2-O 3.34Å; L1187-L1270 HydrophobicContact CD1-CD1 4.42Å; L1187-L1270 HydrophobicContact CD2-CD2 4.3Å
1188G69.5Low79.9Confident65 Ų6568.4 Ų68.467%0.6737%0.366SS*.THydrogen-bonded Turntrans84.8-15.3173.400000116.4Q1190G1188-Q1190 PolarHBondContact O-N 3.5Å
1189Q69.1Low79.4Confident80 Ų8070.2 Ų70.237%0.37438%0.375SS..  trans-58.8122.5167.2-177.4-161.828.200109.2K1113 L1187K1113-Q1189 WeakPolarHBondContact CE-O 3.35Å; K1113-Q1189 PolarHBondContact NZ-O 3.41Å; L1187-Q1189 VanDerWaalsContact C-N 3.32Å; L1187-Q1189 PolarHBondContact O-N 2.86Å
1190Q60Low79.1Confident130 Ų13071 Ų7161%0.60738%0.377SS*.  trans-92.2-22.1-176.9-69.1-177.15500113.2G1188G1188-Q1190 PolarHBondContact O-N 3.5Å
1191D67Low79Confident80 Ų8068 Ų6843%0.42836%0.362SS..  trans-70134-173.9-50-62.2000111.5
1192C76.7Confident78.8Confident8 Ų871.2 Ų71.25%0.05438%0.38CS..  trans-149.62.9-175.955.90000112.9C1109 I1112 D1194 L1195C1109-C1192 HydrophobicContact CB-CB 4.48Å; C1109-C1192 VanDerWaalsContact CB-SG 3.55Å; C1109-C1192 VanDerWaalsContact SG-SG 3.61Å; I1112-C1192 HydrophobicContact CB-CB 4.32Å; I1112-C1192 HydrophobicContact CG2-CB 4.12Å; C1192-D1194 PolarHBondContact O-N 2.89Å; C1192-L1195 HydrophobicContact CB-CD1 3.83Å; C1192-L1195 HydrophobicContact CB-CG 4.49Å
1193L69.1Low78.7Confident38 Ų3871.8 Ų71.820%0.19938%0.384CS..THydrogen-bonded Turntrans-70.3-21.2179.9-70169.1000112.9R1012 L1035R1012-L1193 PolarHBondContact NH2-O 2.94Å; L1035-L1193 HydrophobicContact CB-CD2 4.31Å; L1035-L1193 HydrophobicContact CD1-CD2 3.55Å; L1035-L1193 HydrophobicContact CD1-CG 4.35Å
1194D66.4Low78.8Confident145 Ų14569.6 Ų69.678%0.77537%0.37SS*.THydrogen-bonded Turntrans-110.36.7-174.8-43.9-57000112.7C1192 D1196C1192-D1194 PolarHBondContact O-N 2.89Å; D1194-D1196 PolarHBondContact O-N 3.26Å
1195L77.4Confident78.6Confident38 Ų3874.9 Ų74.920%0.19940%0.396CS..  trans-75111.5174.8-71.6174.7000109.9I1112 K1113 Y1116 C1192 L1197I1112-L1195 HydrophobicContact CG2-CD1 4.19Å; K1113-L1195 HydrophobicContact CG-CD1 3.9Å; Y1116-L1195 HydrophobicContact CD1-CD2 3.95Å; Y1116-L1195 HydrophobicContact CE1-CD2 3.95Å; Y1116-L1195 HydrophobicContact CG-CD2 4.34Å; C1192-L1195 HydrophobicContact CB-CD1 3.83Å; C1192-L1195 HydrophobicContact CB-CG 4.49Å; L1195-L1197 HydrophobicContact CB-CD2 4.36Å; L1195-L1197 PolarHBondContact O-N 2.66Å; L1195-L1197 VanDerWaalsContact O-N 3.15Å
1196D80.1Confident78.1Confident66 Ų6675.8 Ų75.835%0.35341%0.405SS..  trans-79.297.5178-165.533.5000110.9D1194 I1198 E1199D1194-D1196 PolarHBondContact O-N 3.26Å; D1196-I1198 PolarHBondContact O-N 3.29Å; D1196-I1198 WeakPolarHBondContact OD1-CG1 3.42Å; D1196-E1199 WeakPolarHBondContact O-CB 3.22Å; D1196-E1199 PolarHBondContact O-N 3.26Å
1197L79.9Confident78.5Confident8 Ų874.1 Ų74.14%0.04240%0.399CS..THydrogen-bonded Turntrans-75.128179.4-48.3179.8000113Y946 L1015 I1020 I1112 T1115 Y1116 Q1119 L1195Y946-L1197 HydrophobicContact CE1-CB 4.2Å; Y946-L1197 WeakPolarHBondContact CE1-O 3.47Å; L1015-L1197 WeakPolarHBondContact O-CD1 3.1Å; I1020-L1197 HydrophobicContact CD1-CB 3.71Å; I1020-L1197 HydrophobicContact CD1-CD1 4.06Å; I1020-L1197 HydrophobicContact CG1-CB 4.39Å; I1112-L1197 HydrophobicContact CG2-CD2 4.45Å; T1115-L1197 HydrophobicContact CG2-CD1 4.2Å; Y1116-L1197 HydrophobicContact CD2-CD2 4.12Å; Y1116-L1197 HydrophobicContact CG-CD2 4.31Å; Q1119-L1197 VanDerWaalsContact CD-O 3.3Å; Q1119-L1197 VanDerWaalsContact NE2-C 3.28Å; Q1119-L1197 PolarHBondContact NE2-O 2.87Å; Q1119-L1197 VanDerWaalsContact OE1-C 3.24Å; Q1119-L1197 PolarHBondContact OE1-O 3.01Å; L1195-L1197 HydrophobicContact CB-CD2 4.36Å; L1195-L1197 PolarHBondContact O-N 2.66Å; L1195-L1197 VanDerWaalsContact O-N 3.15Å
1198I79.4Confident79.2Confident21 Ų2170.1 Ų70.111%0.10838%0.377CS..THydrogen-bonded Turntrans-136.41316845.4173.9000111.9R945 Y946 D1196 P1200R945-I1198 HydrophobicContact CB-CD1 3.8Å; Y946-I1198 HydrophobicContact CD1-CG2 3.5Å; Y946-I1198 VanDerWaalsContact CD1-CG2 3.5Å; Y946-I1198 HydrophobicContact CE1-CG2 3.49Å; Y946-I1198 VanDerWaalsContact CE1-CG2 3.49Å; Y946-I1198 HydrophobicContact CG-CG2 4.34Å; D1196-I1198 PolarHBondContact O-N 3.29Å; D1196-I1198 WeakPolarHBondContact OD1-CG1 3.42Å; I1198-P1200 WeakPolarHBondContact O-CD 3.31Å
1199E84.8Confident80.5Confident59 Ų5973.2 Ų73.228%0.27638%0.384SS..  trans-61.8123178.4-167.6-175.5-169.800110.7Y1116 Q1123 K1184 D1196Y1116-E1199 HydrophobicContact CE2-CB 4.38Å; Y1116-E1199 PolarHBondContact OH-OE2 3.46Å; Q1123-E1199 PolarHBondContact NE2-O 3.26Å; K1184-E1199 IonicContact NZ-OE1 2.71Å; K1184-E1199 PolarHBondContact NZ-OE1 3.01Å; K1184-E1199 IonicContact NZ-OE2 3.82Å; K1184-E1199 PolarHBondContact NZ-OE2 3.01Å; D1196-E1199 WeakPolarHBondContact O-CB 3.22Å; D1196-E1199 PolarHBondContact O-N 3.26Å
1200P86.6Confident81.7Confident104 Ų10472 Ų7268%0.67538%0.378SS*.  trans-73141.8172.731.2-33.7000110I1198I1198-P1200 WeakPolarHBondContact O-CD 3.31Å
1201I90Very high83.5Confident25 Ų2565.9 Ų65.913%0.12835%0.35CS..  trans-125.3136.8170.7-173.1167.5000109.7L1120 Q1123 M1124 L1177 Y1181L1120-I1201 HydrophobicContact CB-CG2 4.33Å; L1120-I1201 HydrophobicContact CD2-CB 3.76Å; L1120-I1201 HydrophobicContact CD2-CD1 4.22Å; L1120-I1201 HydrophobicContact CD2-CG2 3.67Å; Q1123-I1201 HydrophobicContact CB-CG2 3.55Å; Q1123-I1201 HydrophobicContact CG-CG2 4.32Å; M1124-I1201 HydrophobicContact CE-CD1 3.96Å; L1177-I1201 HydrophobicContact CD2-CD1 3.94Å; Y1181-I1201 HydrophobicContact CE2-CD1 3.92Å
1202E87.2Confident85Confident157 Ų15762.1 Ų62.173%0.73433%0.33SS*.PPolyproline II helixtrans-58.5134.3177.4-71.2-61150.400110.8Y1204E1202-Y1204 PolarHBondContact O-N 3.43Å
1203P87.9Confident86Confident84 Ų8461.8 Ų61.855%0.54533%0.327SS..PPolyproline II helixtrans-55.5136.1175.8-26.635.3000111.8M1124 Q1205M1124-P1203 CarbonylContact O-C 3.41Å; M1124-P1203 WeakPolarHBondContact O-CA 3.42Å; P1203-Q1205 PolarHBondContact O-N 2.75Å
1204Y87.4Confident87.4Confident94 Ų9462.2 Ų62.237%0.36933%0.328SS..PPolyproline II helixtrans-69.9130.5175.8-174.4-114.2000109.2M1124 V1173 P1175 E1202 A1206M1124-Y1204 PolarHBondContact O-N 3.44Å; V1173-Y1204 WeakPolarHBondContact O-CD1 3.49Å; P1175-Y1204 HydrophobicContact CB-CD2 4.23Å; P1175-Y1204 HydrophobicContact CB-CE2 3.86Å; P1175-Y1204 HydrophobicContact CG-CD2 3.76Å; P1175-Y1204 HydrophobicContact CG-CE2 3.93Å; P1175-Y1204 HydrophobicContact CG-CG 4.09Å; E1202-Y1204 PolarHBondContact O-N 3.43Å; Y1204-A1206 HydrophobicContact CD1-CB 4.03Å; Y1204-A1206 HydrophobicContact CE1-CB 4.5Å; Y1204-A1206 PolarHBondContact O-N 3.1Å
1205Q81.2Confident88.9Confident178 Ų17855.3 Ų55.383%0.83229%0.291SS*.  trans-77.366.9178.4-63.4-174.49.300110.2P1203 L1207P1203-Q1205 PolarHBondContact O-N 2.75Å; Q1205-L1207 PolarHBondContact O-N 2.85Å
1206A76.9Confident89.9Confident25 Ų2553.5 Ų53.521%0.20728%0.282CS..  trans-61.8116.1-177.600000111Y1204 N1208Y1204-A1206 HydrophobicContact CD1-CB 4.03Å; Y1204-A1206 HydrophobicContact CE1-CB 4.5Å; Y1204-A1206 PolarHBondContact O-N 3.1Å; A1206-N1208 PolarHBondContact O-N 3.13Å
1207L91.8Very high90.8Very high63 Ų6350.7 Ų50.733%0.3327%0.267SS..  trans-69.1-14.4174.7-53.7177.2000112.5S361 A364 P1171 Q1205 T1209S361-L1207 WeakPolarHBondContact OG-CD2 3.27Å; A364-L1207 HydrophobicContact CB-CD1 4.24Å; P1171-L1207 HydrophobicContact CB-CB 4.05Å; P1171-L1207 HydrophobicContact CG-CB 4.23Å; Q1205-L1207 PolarHBondContact O-N 2.85Å; L1207-T1209 PolarHBondContact O-N 3.3Å
1208N95.9Very high91.7Very high4 Ų451.2 Ų51.22%0.02127%0.274CS..  trans-70.5118.4177.1-175.7-67000110.9R1127 P1171 V1173 A1206 Q1210 H1215R1127-N1208 PolarHBondContact NH1-O 3.39Å; R1127-N1208 PolarHBondContact NH1-OD1 2.84Å; R1127-N1208 VanDerWaalsContact NH1-OD1 3.09Å; R1127-N1208 PolarHBondContact NH2-O 2.68Å; P1171-N1208 HydrophobicContact CB-CB 4.31Å; P1171-N1208 WeakPolarHBondContact O-CB 3.37Å; P1171-N1208 PolarHBondContact O-ND2 2.8Å; V1173-N1208 HydrophobicContact CG2-CB 3.64Å; A1206-N1208 PolarHBondContact O-N 3.13Å; N1208-Q1210 PolarHBondContact ND2-OE1 2.89Å; N1208-Q1210 VanDerWaalsContact OD1-CB 3.3Å; N1208-Q1210 WeakPolarHBondContact OD1-CB 3.25Å; N1208-Q1210 PolarHBondContact OD1-N 3.12Å; N1208-H1215 VanDerWaalsContact CG-NE2 3.32Å; N1208-H1215 PolarHBondContact ND2-CE1 3.41Å; N1208-H1215 PolarHBondContact OD1-CE1 3.48Å; N1208-H1215 PolarHBondContact OD1-NE2 3.11Å
1209T95.1Very high92.6Very high131 Ų13150.2 Ų50.280%0.80427%0.269SS*.  trans-94.3-0.8178.648.70000114.6L1207L1207-T1209 PolarHBondContact O-N 3.3Å
1210Q96Very high93.3Very high53 Ų5347.4 Ų47.425%0.24826%0.256CS..  trans-67.1144.3-172.9-55.5-179-82.700112.7R1127 N1208 E1214 H1215R1127-Q1210 PolarHBondContact NH1-O 3.18Å; N1208-Q1210 PolarHBondContact ND2-OE1 2.89Å; N1208-Q1210 VanDerWaalsContact OD1-CB 3.3Å; N1208-Q1210 WeakPolarHBondContact OD1-CB 3.25Å; N1208-Q1210 PolarHBondContact OD1-N 3.12Å; Q1210-E1214 WeakPolarHBondContact CA-OE2 3.38Å; Q1210-E1214 HydrophobicContact CB-CB 4.07Å; Q1210-H1215 VanDerWaalsContact C-NE2 3.33Å; Q1210-H1215 VanDerWaalsContact CB-NE2 3.27Å; Q1210-H1215 WeakPolarHBondContact CB-NE2 3.49Å; Q1210-H1215 PolarHBondContact O-CD2 3.37Å; Q1210-H1215 PolarHBondContact O-NE2 2.93Å; Q1210-H1215 PolarHBondContact OE1-CE1 3.3Å
1211T97.2Very high93.8Very high3 Ų346.4 Ų46.42%0.01824%0.241CC..  trans-73.8166.1-177.759.50000113.7C964 Y968 S972 G1213 E1214 H1215C964-T1211 WeakPolarHBondContact SG-CG2 3.34Å; Y968-T1211 WeakPolarHBondContact CB-OG1 3.18Å; S972-T1211 WeakPolarHBondContact OG-CB 3.47Å; T1211-G1213 PolarHBondContact O-N 3.32Å; T1211-E1214 WeakPolarHBondContact CB-OE2 3.37Å; T1211-E1214 PolarHBondContact N-OE2 2.69Å; T1211-E1214 PolarHBondContact O-N 2.99Å; T1211-E1214 WeakPolarHBondContact OG1-CG 3.43Å; T1211-E1214 PolarHBondContact OG1-N 2.73Å; T1211-E1214 PolarHBondContact OG1-OE2 2.95Å; T1211-H1215 PolarHBondContact O-CD2 3.24Å; T1211-H1215 PolarHBondContact O-N 2.94Å
1212L97.9Very high94.2Very high1 Ų147.5 Ų47.51%0.00524%0.244CC..Hα-helixtrans-58.7-37172.2-81.6177.8000112.4L962 I975 W1126 R1127 P1130 L1131 H1215 L1216L962-L1212 HydrophobicContact CD1-CD1 3.89Å; I975-L1212 HydrophobicContact CD1-CB 4.14Å; I975-L1212 HydrophobicContact CG2-CB 4.35Å; I975-L1212 HydrophobicContact CG2-CD1 3.99Å; W1126-L1212 HydrophobicContact CH2-CD1 4.29Å; W1126-L1212 HydrophobicContact CH2-CG 4.14Å; W1126-L1212 HydrophobicContact CZ3-CD1 3.72Å; W1126-L1212 HydrophobicContact CZ3-CD2 4.49Å; W1126-L1212 HydrophobicContact CZ3-CG 3.91Å; R1127-L1212 HydrophobicContact CB-CD2 3.86Å; R1127-L1212 HydrophobicContact CG-CD2 4.15Å; R1127-L1212 HydrophobicContact CG-CG 4.47Å; P1130-L1212 HydrophobicContact CB-CD1 3.84Å; P1130-L1212 HydrophobicContact CB-CD2 4Å; P1130-L1212 HydrophobicContact CG-CD1 4.2Å; P1130-L1212 HydrophobicContact CG-CD2 4.5Å; L1131-L1212 HydrophobicContact CB-CD2 4.46Å; L1212-H1215 PolarHBondContact O-N 3.47Å; L1212-L1216 WeakPolarHBondContact O-CB 3.3Å; L1212-L1216 PolarHBondContact O-N 3.42Å
1213G98.2Very high94.8Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-66.7-41.4177.600000113.3S972 T1211 L1217S972-G1213 PolarHBondContact OG-N 3.06Å; T1211-G1213 PolarHBondContact O-N 3.32Å; G1213-L1217 WeakPolarHBondContact O-CB 3.42Å; G1213-L1217 PolarHBondContact O-N 3.37Å; G1213-L1217 VanDerWaalsContact O-N 3.07Å
1214E98Very high95.2Very high47 Ų4738 Ų3822%0.2220%0.196CC..Hα-helixtrans-63.3-45172-74.1168.294.600112.2Y968 Q1210 T1211 L1216 L1217 G1218Y968-E1214 HydrophobicContact CD1-CG 4.13Å; Y968-E1214 HydrophobicContact CD2-CG 3.31Å; Y968-E1214 HydrophobicContact CE1-CG 4.18Å; Y968-E1214 HydrophobicContact CE2-CG 3.32Å; Y968-E1214 HydrophobicContact CG-CG 3.71Å; Q1210-E1214 WeakPolarHBondContact CA-OE2 3.38Å; Q1210-E1214 HydrophobicContact CB-CB 4.07Å; T1211-E1214 WeakPolarHBondContact CB-OE2 3.37Å; T1211-E1214 PolarHBondContact N-OE2 2.69Å; T1211-E1214 PolarHBondContact O-N 2.99Å; T1211-E1214 WeakPolarHBondContact OG1-CG 3.43Å; T1211-E1214 PolarHBondContact OG1-N 2.73Å; T1211-E1214 PolarHBondContact OG1-OE2 2.95Å; E1214-L1216 PolarHBondContact O-N 2.93Å; E1214-L1217 PolarHBondContact O-N 3.13Å; E1214-G1218 PolarHBondContact O-N 3.47Å
1215H98.5Very high95.6Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-64-38.6179.2-77.8-58.2000112.3R1127 L1131 Y1164 C1169 V1173 N1208 Q1210 T1211 L1212 F1219R1127-H1215 PolarHBondContact NH1-NE2 3.28Å; L1131-H1215 HydrophobicContact CD1-CB 4.31Å; L1131-H1215 HydrophobicContact CD2-CB 3.96Å; Y1164-H1215 HydrophobicContact CE1-CB 4.07Å; Y1164-H1215 AromaticContact CE1-ND1 3.56Å; Y1164-H1215 WeakPolarHBondContact CE1-O 3.46Å; C1169-H1215 WeakPolarHBondContact CB-CE1 3.33Å; C1169-H1215 PolarHBondContact SG-CE1 3.22Å; V1173-H1215 WeakPolarHBondContact CG2-CE1 3.49Å; N1208-H1215 VanDerWaalsContact CG-NE2 3.32Å; N1208-H1215 PolarHBondContact ND2-CE1 3.41Å; N1208-H1215 PolarHBondContact OD1-CE1 3.48Å; N1208-H1215 PolarHBondContact OD1-NE2 3.11Å; Q1210-H1215 VanDerWaalsContact C-NE2 3.33Å; Q1210-H1215 VanDerWaalsContact CB-NE2 3.27Å; Q1210-H1215 WeakPolarHBondContact CB-NE2 3.49Å; Q1210-H1215 PolarHBondContact O-CD2 3.37Å; Q1210-H1215 PolarHBondContact O-NE2 2.93Å; Q1210-H1215 PolarHBondContact OE1-CE1 3.3Å; T1211-H1215 PolarHBondContact O-CD2 3.24Å; T1211-H1215 PolarHBondContact O-N 2.94Å; L1212-H1215 PolarHBondContact O-N 3.47Å; H1215-F1219 WeakPolarHBondContact O-CB 3.02Å; H1215-F1219 PolarHBondContact O-N 2.97Å
1216L98.7Very high96.4Very high0 Ų031.6 Ų31.60%018%0.177CC..Hα-helixtrans-67.4-43.4176-176.161.2000112.2I975 L1131 I1134 V1135 L1212 E1214 F1220 L1297 L1303 I1306I975-L1216 HydrophobicContact CD1-CB 3.94Å; I975-L1216 HydrophobicContact CD1-CD2 3.6Å; I975-L1216 HydrophobicContact CD1-CG 4.42Å; I975-L1216 HydrophobicContact CG1-CD2 3.93Å; L1131-L1216 HydrophobicContact CD1-CB 4.03Å; L1131-L1216 HydrophobicContact CD1-CD1 4.14Å; I1134-L1216 HydrophobicContact CG1-CD2 4.43Å; I1134-L1216 HydrophobicContact CG2-CD1 3.99Å; I1134-L1216 HydrophobicContact CG2-CD2 4.3Å; V1135-L1216 HydrophobicContact CG2-CD1 3.93Å; L1212-L1216 WeakPolarHBondContact O-CB 3.3Å; L1212-L1216 PolarHBondContact O-N 3.42Å; E1214-L1216 PolarHBondContact O-N 2.93Å; L1216-F1220 HydrophobicContact CD1-CD2 4.33Å; L1216-F1220 HydrophobicContact CD1-CE2 3.54Å; L1216-F1220 HydrophobicContact CD1-CZ 3.68Å; L1216-F1220 HydrophobicContact CD2-CE2 4.34Å; L1216-F1220 HydrophobicContact CG-CD2 4.3Å; L1216-F1220 HydrophobicContact CG-CE2 3.68Å; L1216-F1220 HydrophobicContact CG-CZ 4.32Å; L1216-F1220 WeakPolarHBondContact O-CD2 3.44Å; L1216-F1220 PolarHBondContact O-N 3.33Å; L1216-L1297 HydrophobicContact CB-CD2 4.43Å; L1216-L1297 HydrophobicContact CD2-CD2 4.05Å; L1216-L1297 HydrophobicContact CG-CD2 3.89Å; L1216-L1303 HydrophobicContact CD2-CD1 3.75Å; L1216-I1306 HydrophobicContact CD2-CD1 4.04Å
1217L98.5Very high97.4Very high7 Ų733.3 Ų33.34%0.03718%0.183CC..Hα-helixtrans-65.7-44176.2176.860.7000111.9Y968 G1213 E1214 F1220 K1221 L1297 D1298 L1301Y968-L1217 HydrophobicContact CE1-CD2 3.81Å; G1213-L1217 WeakPolarHBondContact O-CB 3.42Å; G1213-L1217 PolarHBondContact O-N 3.37Å; G1213-L1217 VanDerWaalsContact O-N 3.07Å; E1214-L1217 PolarHBondContact O-N 3.13Å; L1217-F1220 PolarHBondContact O-N 3.14Å; L1217-K1221 HydrophobicContact CD1-CD 4.28Å; L1217-K1221 HydrophobicContact CD1-CG 4.44Å; L1217-K1221 HydrophobicContact CG-CD 4.29Å; L1217-K1221 WeakPolarHBondContact O-CB 3.48Å; L1217-K1221 WeakPolarHBondContact O-CG 3.37Å; L1217-K1221 PolarHBondContact O-N 3.49Å; L1217-L1297 HydrophobicContact CB-CD2 4.16Å; L1217-L1297 HydrophobicContact CD1-CB 4.15Å; L1217-L1297 HydrophobicContact CD1-CD2 4.47Å; L1217-L1297 HydrophobicContact CD1-CG 4.32Å; L1217-D1298 HydrophobicContact CD1-CB 3.85Å; L1217-D1298 WeakPolarHBondContact CD2-OD1 3.47Å; L1217-L1301 HydrophobicContact CD2-CD2 4.46Å
1218G98.5Very high97.6Very high19 Ų1931.1 Ų31.120%0.19617%0.171CC..Hα-helixtrans-64.4-38.4177.300000112.7Y1164 E1214 K1221 Y1222Y1164-G1218 WeakPolarHBondContact CE2-O 3.29Å; E1214-G1218 PolarHBondContact O-N 3.47Å; G1218-K1221 PolarHBondContact O-N 2.92Å; G1218-Y1222 VanDerWaalsContact O-CB 3.25Å; G1218-Y1222 WeakPolarHBondContact O-CB 3.34Å; G1218-Y1222 PolarHBondContact O-N 3.39Å
1219F98.8Very high97.6Very high0 Ų040.6 Ų40.60%021%0.206CC..Hα-helixtrans-58.9-48.3173.3169.5-94.2000111.8V1135 M1160 V1161 Y1164 H1215 Y1223 F1290V1135-F1219 HydrophobicContact CB-CE1 4.34Å; V1135-F1219 HydrophobicContact CB-CZ 4.48Å; V1135-F1219 HydrophobicContact CG1-CE1 3.68Å; V1135-F1219 HydrophobicContact CG1-CZ 3.57Å; V1135-F1219 HydrophobicContact CG2-CD1 3.85Å; V1135-F1219 HydrophobicContact CG2-CE1 3.61Å; V1135-F1219 HydrophobicContact CG2-CG 4.46Å; V1135-F1219 HydrophobicContact CG2-CZ 4.05Å; M1160-F1219 HydrophobicContact CB-CE2 4.24Å; V1161-F1219 HydrophobicContact CB-CE2 4.33Å; V1161-F1219 HydrophobicContact CG2-CD2 4.12Å; V1161-F1219 HydrophobicContact CG2-CE2 3.54Å; V1161-F1219 HydrophobicContact CG2-CZ 3.96Å; Y1164-F1219 HydrophobicContact CD1-CB 4.07Å; Y1164-F1219 HydrophobicContact CD1-CD2 4.44Å; Y1164-F1219 HydrophobicContact CD2-CB 4.26Å; Y1164-F1219 HydrophobicContact CE1-CB 4.23Å; Y1164-F1219 HydrophobicContact CE2-CB 4.44Å; Y1164-F1219 HydrophobicContact CG-CB 4.11Å; Y1164-F1219 HydrophobicContact CG-CD2 4.11Å; H1215-F1219 WeakPolarHBondContact O-CB 3.02Å; H1215-F1219 PolarHBondContact O-N 2.97Å; F1219-Y1223 AromaticContact CD2-CD2 3.81Å; F1219-Y1223 HydrophobicContact CD2-CD2 3.81Å; F1219-Y1223 AromaticContact CD2-CE2 3.7Å; F1219-Y1223 HydrophobicContact CD2-CE2 3.7Å; F1219-Y1223 AromaticContact CE2-CD2 3.59Å; F1219-Y1223 HydrophobicContact CE2-CD2 3.59Å; F1219-Y1223 AromaticContact CE2-CE2 3.43Å; F1219-Y1223 HydrophobicContact CE2-CE2 3.43Å; F1219-Y1223 VanDerWaalsContact CE2-CE2 3.43Å; F1219-Y1223 HydrophobicContact CG-CD2 4.39Å; F1219-Y1223 AromaticContact CZ-CD2 4Å; F1219-Y1223 HydrophobicContact CZ-CD2 4Å; F1219-Y1223 HydrophobicContact CZ-CE2 4.22Å; F1219-Y1223 WeakPolarHBondContact O-CD2 3.28Å; F1219-Y1223 PolarHBondContact O-N 3.4Å; F1219-Y1223 VanDerWaalsContact O-N 3.15Å; F1219-F1290 HydrophobicContact CD1-CE1 4.4Å; F1219-F1290 HydrophobicContact CE1-CD1 4.48Å; F1219-F1290 AromaticContact CE1-CE1 3.57Å; F1219-F1290 HydrophobicContact CE1-CE1 3.57Å; F1219-F1290 HydrophobicContact CE1-CZ 4.29Å; F1219-F1290 AromaticContact CZ-CE1 3.78Å; F1219-F1290 HydrophobicContact CZ-CE1 3.78Å; F1219-F1290 HydrophobicContact CZ-CZ 4.2Å
1220F98.6Very high97.7Very high0 Ų038.5 Ų38.50%019%0.19CC..Hα-helixtrans-67.4-42177.3-63.6-48.7000112.4W1138 L1216 L1217 Y1223 S1224 F1290 A1294 L1297 I1306W1138-F1220 AromaticContact CD2-CE1 3.56Å; W1138-F1220 HydrophobicContact CD2-CE1 3.56Å; W1138-F1220 AromaticContact CD2-CZ 3.72Å; W1138-F1220 HydrophobicContact CD2-CZ 3.72Å; W1138-F1220 AromaticContact CE2-CE1 3.38Å; W1138-F1220 AromaticContact CE2-CZ 3.68Å; W1138-F1220 AromaticContact CE3-CE1 3.73Å; W1138-F1220 HydrophobicContact CE3-CE1 3.73Å; W1138-F1220 HydrophobicContact CE3-CZ 4.23Å; W1138-F1220 HydrophobicContact CG-CE1 4.28Å; W1138-F1220 AromaticContact CG-CZ 3.94Å; W1138-F1220 HydrophobicContact CG-CZ 3.94Å; W1138-F1220 HydrophobicContact CH2-CD1 4.08Å; W1138-F1220 AromaticContact CH2-CE1 3.6Å; W1138-F1220 HydrophobicContact CH2-CE1 3.6Å; W1138-F1220 AromaticContact CZ2-CD1 3.94Å; W1138-F1220 HydrophobicContact CZ2-CD1 3.94Å; W1138-F1220 AromaticContact CZ2-CE1 3.4Å; W1138-F1220 HydrophobicContact CZ2-CE1 3.4Å; W1138-F1220 VanDerWaalsContact CZ2-CE1 3.4Å; W1138-F1220 HydrophobicContact CZ2-CZ 4.16Å; W1138-F1220 AromaticContact CZ3-CE1 3.76Å; W1138-F1220 HydrophobicContact CZ3-CE1 3.76Å; W1138-F1220 AromaticContact NE1-CE1 3.98Å; W1138-F1220 AromaticContact NE1-CZ 3.83Å; L1216-F1220 HydrophobicContact CD1-CD2 4.33Å; L1216-F1220 HydrophobicContact CD1-CE2 3.54Å; L1216-F1220 HydrophobicContact CD1-CZ 3.68Å; L1216-F1220 HydrophobicContact CD2-CE2 4.34Å; L1216-F1220 HydrophobicContact CG-CD2 4.3Å; L1216-F1220 HydrophobicContact CG-CE2 3.68Å; L1216-F1220 HydrophobicContact CG-CZ 4.32Å; L1216-F1220 WeakPolarHBondContact O-CD2 3.44Å; L1216-F1220 PolarHBondContact O-N 3.33Å; L1217-F1220 PolarHBondContact O-N 3.14Å; F1220-Y1223 PolarHBondContact O-N 2.9Å; F1220-S1224 WeakPolarHBondContact O-CB 3.21Å; F1220-S1224 PolarHBondContact O-N 2.69Å; F1220-S1224 PolarHBondContact O-OG 3.24Å; F1220-F1290 AromaticContact CD1-CD1 3.99Å; F1220-F1290 HydrophobicContact CD1-CD1 3.99Å; F1220-F1290 HydrophobicContact CD1-CE1 4.34Å; F1220-A1294 HydrophobicContact CB-CB 3.71Å; F1220-L1297 HydrophobicContact CD2-CD2 3.96Å; F1220-L1297 HydrophobicContact CE2-CD2 4.02Å; F1220-I1306 HydrophobicContact CE2-CD1 3.66Å; F1220-I1306 HydrophobicContact CE2-CG2 4.45Å; F1220-I1306 HydrophobicContact CZ-CD1 3.87Å
1221K98.1Very high97.8Very high83 Ų8339.8 Ų39.836%0.36120%0.195SC..Hα-helixtrans-59.7-48.2176.2-78.8-178.1166.9-179.60111.5L1217 G1218 Y1223 S1224 T1225 A1294 D1298L1217-K1221 HydrophobicContact CD1-CD 4.28Å; L1217-K1221 HydrophobicContact CD1-CG 4.44Å; L1217-K1221 HydrophobicContact CG-CD 4.29Å; L1217-K1221 WeakPolarHBondContact O-CB 3.48Å; L1217-K1221 WeakPolarHBondContact O-CG 3.37Å; L1217-K1221 PolarHBondContact O-N 3.49Å; G1218-K1221 PolarHBondContact O-N 2.92Å; K1221-Y1223 PolarHBondContact O-N 3.5Å; K1221-S1224 PolarHBondContact O-N 3.41Å; K1221-S1224 PolarHBondContact O-OG 3.29Å; K1221-T1225 PolarHBondContact O-N 3.25Å; K1221-T1225 PolarHBondContact O-OG1 3.18Å; K1221-A1294 HydrophobicContact CG-CB 4.18Å; K1221-D1298 VanDerWaalsContact CE-CG 3.44Å; K1221-D1298 WeakPolarHBondContact CE-OD1 3.32Å; K1221-D1298 VanDerWaalsContact CE-OD2 3.24Å; K1221-D1298 WeakPolarHBondContact CE-OD2 3.33Å; K1221-D1298 IonicContact NZ-OD1 3.85Å; K1221-D1298 PolarHBondContact NZ-OD1 3.08Å; K1221-D1298 IonicContact NZ-OD2 2.63Å; K1221-D1298 PolarHBondContact NZ-OD2 3.02Å
1222Y98.5Very high97.9Very high48 Ų4839.7 Ų39.719%0.18820%0.195CC..Hα-helixtrans-57.1-51.5178-178.4-105.6000112.4H1163 Y1164 A1168 G1218 S1224 T1225 F1226H1163-Y1222 AromaticContact CD2-CE1 3.72Å; H1163-Y1222 AromaticContact NE2-CE1 3.73Å; H1163-Y1222 AromaticContact NE2-CZ 3.68Å; H1163-Y1222 PolarHBondContact NE2-OH 3.46Å; Y1164-Y1222 HydrophobicContact CD2-CD1 4.44Å; Y1164-Y1222 HydrophobicContact CD2-CG 4.35Å; A1168-Y1222 HydrophobicContact CB-CD1 3.94Å; A1168-Y1222 HydrophobicContact CB-CD2 3.49Å; A1168-Y1222 VanDerWaalsContact CB-CD2 3.49Å; A1168-Y1222 HydrophobicContact CB-CE1 3.95Å; A1168-Y1222 HydrophobicContact CB-CE2 3.5Å; A1168-Y1222 HydrophobicContact CB-CG 3.71Å; G1218-Y1222 VanDerWaalsContact O-CB 3.25Å; G1218-Y1222 WeakPolarHBondContact O-CB 3.34Å; G1218-Y1222 PolarHBondContact O-N 3.39Å; Y1222-S1224 VanDerWaalsContact C-N 3.26Å; Y1222-S1224 PolarHBondContact O-N 3.31Å; Y1222-T1225 PolarHBondContact O-N 3.19Å; Y1222-T1225 VanDerWaalsContact O-N 3.14Å; Y1222-T1225 PolarHBondContact O-OG1 3.03Å; Y1222-F1226 AromaticContact CE1-CD2 3.69Å; Y1222-F1226 HydrophobicContact CE1-CD2 3.69Å; Y1222-F1226 HydrophobicContact CE1-CE2 4.25Å; Y1222-F1226 HydrophobicContact CE1-CG 4.47Å; Y1222-F1226 HydrophobicContact CE2-CD2 4.34Å; Y1222-F1226 AromaticContact CZ-CD2 3.54Å; Y1222-F1226 WeakPolarHBondContact O-CB 3.44Å; Y1222-F1226 PolarHBondContact O-N 3.47Å; Y1222-F1226 WeakPolarHBondContact OH-CD2 3.48Å; Y1222-F1226 WeakPolarHBondContact OH-CE2 3.22Å
1223Y98.5Very high97.9Very high1 Ų139.6 Ų39.60%0.00419%0.194CC..Hα-helixtrans-76.8-8.5-179.7-72.3-59.3000114.8M1160 H1163 F1219 F1220 K1221 F1226 F1228 I1233 F1290M1160-Y1223 WeakPolarHBondContact CA-OH 3.41Å; M1160-Y1223 HydrophobicContact CB-CE2 3.88Å; M1160-Y1223 HydrophobicContact CE-CD1 3.68Å; M1160-Y1223 HydrophobicContact CE-CD2 3.89Å; M1160-Y1223 HydrophobicContact CE-CE1 3.88Å; M1160-Y1223 HydrophobicContact CE-CE2 4.06Å; M1160-Y1223 HydrophobicContact CE-CG 3.69Å; M1160-Y1223 WeakPolarHBondContact O-CE2 3.11Å; M1160-Y1223 PolarHBondContact O-OH 2.87Å; H1163-Y1223 PolarHBondContact CD2-OH 3.37Å; H1163-Y1223 VanDerWaalsContact CD2-OH 3.26Å; F1219-Y1223 AromaticContact CD2-CD2 3.81Å; F1219-Y1223 HydrophobicContact CD2-CD2 3.81Å; F1219-Y1223 AromaticContact CD2-CE2 3.7Å; F1219-Y1223 HydrophobicContact CD2-CE2 3.7Å; F1219-Y1223 AromaticContact CE2-CD2 3.59Å; F1219-Y1223 HydrophobicContact CE2-CD2 3.59Å; F1219-Y1223 AromaticContact CE2-CE2 3.43Å; F1219-Y1223 HydrophobicContact CE2-CE2 3.43Å; F1219-Y1223 VanDerWaalsContact CE2-CE2 3.43Å; F1219-Y1223 HydrophobicContact CG-CD2 4.39Å; F1219-Y1223 AromaticContact CZ-CD2 4Å; F1219-Y1223 HydrophobicContact CZ-CD2 4Å; F1219-Y1223 HydrophobicContact CZ-CE2 4.22Å; F1219-Y1223 WeakPolarHBondContact O-CD2 3.28Å; F1219-Y1223 PolarHBondContact O-N 3.4Å; F1219-Y1223 VanDerWaalsContact O-N 3.15Å; F1220-Y1223 PolarHBondContact O-N 2.9Å; K1221-Y1223 PolarHBondContact O-N 3.5Å; Y1223-F1226 HydrophobicContact CD1-CB 4.15Å; Y1223-F1226 HydrophobicContact CD1-CG 4.36Å; Y1223-F1226 HydrophobicContact CE1-CG 4.48Å; Y1223-F1228 HydrophobicContact CD1-CE1 4.04Å; Y1223-F1228 AromaticContact CD1-CZ 3.89Å; Y1223-F1228 HydrophobicContact CD1-CZ 3.89Å; Y1223-F1228 WeakPolarHBondContact O-CE2 3.26Å; Y1223-I1233 HydrophobicContact CE1-CD1 3.69Å; Y1223-F1290 VanDerWaalsContact CB-CD1 3.5Å; Y1223-F1290 HydrophobicContact CD2-CE1 4.07Å; Y1223-F1290 HydrophobicContact CG-CD1 4.49Å; Y1223-F1290 HydrophobicContact CG-CE1 4.11Å
1224S97.3Very high97.9Very high40 Ų4039.6 Ų39.628%0.2819%0.194SC..Hα-helixtrans-79.2-17.9166.875.70000113.8F1220 K1221 Y1222F1220-S1224 WeakPolarHBondContact O-CB 3.21Å; F1220-S1224 PolarHBondContact O-N 2.69Å; F1220-S1224 PolarHBondContact O-OG 3.24Å; K1221-S1224 PolarHBondContact O-N 3.41Å; K1221-S1224 PolarHBondContact O-OG 3.29Å; Y1222-S1224 VanDerWaalsContact C-N 3.26Å; Y1222-S1224 PolarHBondContact O-N 3.31Å
1225T96.3Very high97.9Very high116 Ų11637.4 Ų37.471%0.71218%0.184SC*.Hα-helixtrans-121.1-4-178.4570000114.6K1221 Y1222K1221-T1225 PolarHBondContact O-N 3.25Å; K1221-T1225 PolarHBondContact O-OG1 3.18Å; Y1222-T1225 PolarHBondContact O-N 3.19Å; Y1222-T1225 VanDerWaalsContact O-N 3.14Å; Y1222-T1225 PolarHBondContact O-OG1 3.03Å
1226F97.9Very high97.8Very high22 Ų2240.2 Ų40.210%0.09620%0.195CC..  trans-64.3133.4-179.9-175.5-93.3000113.1Y1222 Y1223 F1228 F1231 I1233 V1240Y1222-F1226 AromaticContact CE1-CD2 3.69Å; Y1222-F1226 HydrophobicContact CE1-CD2 3.69Å; Y1222-F1226 HydrophobicContact CE1-CE2 4.25Å; Y1222-F1226 HydrophobicContact CE1-CG 4.47Å; Y1222-F1226 HydrophobicContact CE2-CD2 4.34Å; Y1222-F1226 AromaticContact CZ-CD2 3.54Å; Y1222-F1226 WeakPolarHBondContact O-CB 3.44Å; Y1222-F1226 PolarHBondContact O-N 3.47Å; Y1222-F1226 WeakPolarHBondContact OH-CD2 3.48Å; Y1222-F1226 WeakPolarHBondContact OH-CE2 3.22Å; Y1223-F1226 HydrophobicContact CD1-CB 4.15Å; Y1223-F1226 HydrophobicContact CD1-CG 4.36Å; Y1223-F1226 HydrophobicContact CE1-CG 4.48Å; F1226-F1228 HydrophobicContact CB-CE2 4.09Å; F1226-F1228 HydrophobicContact CB-CZ 4.11Å; F1226-F1228 HydrophobicContact CD1-CB 4.31Å; F1226-F1228 AromaticContact CD1-CD1 3.44Å; F1226-F1228 HydrophobicContact CD1-CD1 3.44Å; F1226-F1228 VanDerWaalsContact CD1-CD1 3.44Å; F1226-F1228 HydrophobicContact CD1-CD2 4.06Å; F1226-F1228 AromaticContact CD1-CE1 3.64Å; F1226-F1228 HydrophobicContact CD1-CE1 3.64Å; F1226-F1228 HydrophobicContact CD1-CE2 4.23Å; F1226-F1228 AromaticContact CD1-CG 3.66Å; F1226-F1228 HydrophobicContact CD1-CG 3.66Å; F1226-F1228 HydrophobicContact CD1-CZ 4.05Å; F1226-F1228 AromaticContact CE1-CD1 3.87Å; F1226-F1228 HydrophobicContact CE1-CD1 3.87Å; F1226-F1228 HydrophobicContact CE1-CE1 4.32Å; F1226-F1228 HydrophobicContact CE1-CG 4.27Å; F1226-F1228 HydrophobicContact CG-CE1 4.42Å; F1226-F1228 HydrophobicContact CG-CZ 4.49Å; F1226-F1228 WeakPolarHBondContact O-CD2 3.48Å; F1226-F1228 WeakPolarHBondContact O-CE2 3.45Å; F1226-F1228 PolarHBondContact O-N 2.99Å; F1226-F1231 HydrophobicContact CE1-CB 4.42Å; F1226-F1231 HydrophobicContact CZ-CB 3.96Å; F1226-I1233 HydrophobicContact CE1-CG1 4.46Å; F1226-I1233 HydrophobicContact CZ-CG1 4.04Å; F1226-V1240 HydrophobicContact CE2-CG1 3.67Å; F1226-V1240 HydrophobicContact CZ-CG1 4Å
1227D97.5Very high97.7Very high62 Ų6242.9 Ų42.933%0.33221%0.211SC..  trans-81.180.7175.1177.74.7000111.6R1229 N1230 F1231D1227-R1229 PolarHBondContact O-N 2.77Å; D1227-R1229 WeakPolarHBondContact OD1-CB 3.48Å; D1227-R1229 PolarHBondContact OD1-N 3.12Å; D1227-N1230 PolarHBondContact OD1-N 3.48Å; D1227-N1230 PolarHBondContact OD1-ND2 3.24Å; D1227-N1230 WeakPolarHBondContact OD2-CB 3.33Å; D1227-N1230 PolarHBondContact OD2-ND2 3.27Å; D1227-F1231 HydrophobicContact CB-CD2 3.99Å; D1227-F1231 WeakPolarHBondContact O-CB 3.43Å; D1227-F1231 PolarHBondContact O-N 2.96Å
1228F96.6Very high97.7Very high16 Ų1643.3 Ų43.37%0.0722%0.217CC..THydrogen-bonded Turntrans-61.2-20.1174.3-59.6-81.5000114.3Y1223 F1226 L1262 N1263 F1283 K1287Y1223-F1228 HydrophobicContact CD1-CE1 4.04Å; Y1223-F1228 AromaticContact CD1-CZ 3.89Å; Y1223-F1228 HydrophobicContact CD1-CZ 3.89Å; Y1223-F1228 WeakPolarHBondContact O-CE2 3.26Å; F1226-F1228 HydrophobicContact CB-CE2 4.09Å; F1226-F1228 HydrophobicContact CB-CZ 4.11Å; F1226-F1228 HydrophobicContact CD1-CB 4.31Å; F1226-F1228 AromaticContact CD1-CD1 3.44Å; F1226-F1228 HydrophobicContact CD1-CD1 3.44Å; F1226-F1228 VanDerWaalsContact CD1-CD1 3.44Å; F1226-F1228 HydrophobicContact CD1-CD2 4.06Å; F1226-F1228 AromaticContact CD1-CE1 3.64Å; F1226-F1228 HydrophobicContact CD1-CE1 3.64Å; F1226-F1228 HydrophobicContact CD1-CE2 4.23Å; F1226-F1228 AromaticContact CD1-CG 3.66Å; F1226-F1228 HydrophobicContact CD1-CG 3.66Å; F1226-F1228 HydrophobicContact CD1-CZ 4.05Å; F1226-F1228 AromaticContact CE1-CD1 3.87Å; F1226-F1228 HydrophobicContact CE1-CD1 3.87Å; F1226-F1228 HydrophobicContact CE1-CE1 4.32Å; F1226-F1228 HydrophobicContact CE1-CG 4.27Å; F1226-F1228 HydrophobicContact CG-CE1 4.42Å; F1226-F1228 HydrophobicContact CG-CZ 4.49Å; F1226-F1228 WeakPolarHBondContact O-CD2 3.48Å; F1226-F1228 WeakPolarHBondContact O-CE2 3.45Å; F1226-F1228 PolarHBondContact O-N 2.99Å; F1228-L1262 HydrophobicContact CD1-CD1 3.45Å; F1228-L1262 VanDerWaalsContact CD1-CD1 3.45Å; F1228-L1262 HydrophobicContact CE1-CD1 3.46Å; F1228-L1262 VanDerWaalsContact CE1-CD1 3.46Å; F1228-N1263 PolarHBondContact O-ND2 2.89Å; F1228-F1283 HydrophobicContact CB-CE1 4.49Å; F1228-F1283 HydrophobicContact CB-CZ 3.69Å; F1228-F1283 HydrophobicContact CD1-CE2 4.45Å; F1228-F1283 HydrophobicContact CD1-CZ 4.3Å; F1228-F1283 HydrophobicContact CD2-CE2 4.4Å; F1228-F1283 AromaticContact CD2-CZ 3.77Å; F1228-F1283 HydrophobicContact CD2-CZ 3.77Å; F1228-F1283 HydrophobicContact CE2-CZ 4.48Å; F1228-F1283 HydrophobicContact CG-CE2 4.24Å; F1228-F1283 AromaticContact CG-CZ 3.67Å; F1228-F1283 HydrophobicContact CG-CZ 3.67Å; F1228-K1287 HydrophobicContact CD2-CD 4.26Å; F1228-K1287 HydrophobicContact CE2-CD 4.34Å; F1228-K1287 HydrophobicContact CE2-CG 4.27Å
1229R95.1Very high97.6Very high203 Ų20342.7 Ų42.777%0.76621%0.21SC*.THydrogen-bonded Turntrans-78.3-42.5-174.3171.4179.2173.1160.8-0.7111.4D1227D1227-R1229 PolarHBondContact O-N 2.77Å; D1227-R1229 WeakPolarHBondContact OD1-CB 3.48Å; D1227-R1229 PolarHBondContact OD1-N 3.12Å
1230N97.2Very high97.6Very high87 Ų8745 Ų4547%0.46522%0.224SC..THydrogen-bonded Turntrans-101.6-24.2-177.8-56.6-60.3000113.1D1227 P1242 V1243D1227-N1230 PolarHBondContact OD1-N 3.48Å; D1227-N1230 PolarHBondContact OD1-ND2 3.24Å; D1227-N1230 WeakPolarHBondContact OD2-CB 3.33Å; D1227-N1230 PolarHBondContact OD2-ND2 3.27Å; N1230-P1242 WeakPolarHBondContact O-CA 3.43Å; N1230-V1243 PolarHBondContact O-N 3.43Å
1231F98.2Very high97.5Very high81 Ų8146.3 Ų46.336%0.35523%0.231SC..EExtended strand (participates in β ladder)trans-115.6142.1-177.4-61.2-81.8000114.3F1226 D1227 V1240 L1241 V1243F1226-F1231 HydrophobicContact CE1-CB 4.42Å; F1226-F1231 HydrophobicContact CZ-CB 3.96Å; D1227-F1231 HydrophobicContact CB-CD2 3.99Å; D1227-F1231 WeakPolarHBondContact O-CB 3.43Å; D1227-F1231 PolarHBondContact O-N 2.96Å; F1231-V1240 HydrophobicContact CB-CB 4.21Å; F1231-V1240 HydrophobicContact CB-CG1 4.42Å; F1231-V1240 HydrophobicContact CD1-CB 3.98Å; F1231-V1240 HydrophobicContact CD1-CG2 3.88Å; F1231-V1240 HydrophobicContact CE1-CG2 4.31Å; F1231-V1240 HydrophobicContact CG-CB 4.37Å; F1231-L1241 CarbonylContact C-O 3.59Å; F1231-L1241 WeakPolarHBondContact CA-O 3.31Å; F1231-V1243 VanDerWaalsContact C-CG2 3.49Å
1232A98.3Very high97.5Very high0 Ų044.9 Ų44.90%023%0.231CC..EExtended strand (participates in β ladder)trans-107.1145168.800000110.2V1240 L1241 V1243 W1259 N1263A1232-V1240 WeakPolarHBondContact O-CA 3.48Å; A1232-L1241 PolarHBondContact N-O 3.48Å; A1232-L1241 PolarHBondContact O-N 3.43Å; A1232-V1243 HydrophobicContact CB-CG2 4.2Å; A1232-W1259 HydrophobicContact CB-CZ3 3.96Å; A1232-N1263 CarbonylContact C-O 3.58Å; A1232-N1263 VanDerWaalsContact CA-O 3.23Å; A1232-N1263 WeakPolarHBondContact CA-O 3.27Å; A1232-N1263 HydrophobicContact CB-CB 3.86Å
1233I98.6Very high97.5Very high0 Ų042.7 Ų42.70%022%0.222CC..EExtended strand (participates in β ladder)trans-73.9135.5172.3-68.5170.1000109.7M1160 H1163 Y1223 F1226 I1235 N1263 I1264 E1265M1160-I1233 HydrophobicContact CG-CD1 3.85Å; H1163-I1233 HydrophobicContact CB-CG2 3.55Å; Y1223-I1233 HydrophobicContact CE1-CD1 3.69Å; F1226-I1233 HydrophobicContact CE1-CG1 4.46Å; F1226-I1233 HydrophobicContact CZ-CG1 4.04Å; I1233-I1235 HydrophobicContact CG2-CD1 4.48Å; I1233-N1263 PolarHBondContact N-O 3.46Å; I1233-I1264 HydrophobicContact CB-CB 4.4Å; I1233-I1264 HydrophobicContact CB-CG1 4.19Å; I1233-I1264 HydrophobicContact CB-CG2 4.11Å; I1233-I1264 HydrophobicContact CD1-CD1 4.06Å; I1233-I1264 HydrophobicContact CD1-CG1 4.07Å; I1233-I1264 HydrophobicContact CG2-CG2 4.04Å; I1233-E1265 WeakPolarHBondContact O-CB 3.09Å; I1233-E1265 PolarHBondContact O-N 2.93Å
1234S98.3Very high97.4Very high0 Ų046.4 Ų46.40%025%0.248CC..EExtended strand (participates in β ladder)trans-139.3110172.21780000113.3R1236 T1237 G1238 G1239 E1265S1234-R1236 PolarHBondContact O-N 2.93Å; S1234-R1236 PolarHBondContact OG-N 2.86Å; S1234-T1237 WeakPolarHBondContact CB-OG1 3.25Å; S1234-T1237 PolarHBondContact O-N 3.48Å; S1234-T1237 PolarHBondContact OG-N 3.31Å; S1234-T1237 PolarHBondContact OG-OG1 3.5Å; S1234-G1238 PolarHBondContact O-N 2.8Å; S1234-G1239 PolarHBondContact N-O 3.31Å; S1234-G1239 PolarHBondContact O-N 2.78Å; S1234-E1265 WeakPolarHBondContact CB-OE2 3.45Å; S1234-E1265 PolarHBondContact OG-OE2 2.97Å
1235I98.3Very high97.4Very high1 Ų148.2 Ų48.21%0.00526%0.258CS..THydrogen-bonded Turntrans-68.6-24.8171.2-54.3-53.8000111.8Y1121 L1159 L1162 H1163 Q1166 C1176 I1233 T1237 P1267Y1121-I1235 HydrophobicContact CE2-CG2 3.56Å; Y1121-I1235 WeakPolarHBondContact OH-CG2 3.38Å; L1159-I1235 HydrophobicContact CB-CG1 4.18Å; L1159-I1235 HydrophobicContact CD2-CG1 3.95Å; L1159-I1235 HydrophobicContact CG-CG1 4.5Å; L1159-I1235 WeakPolarHBondContact O-CD1 3.16Å; L1162-I1235 HydrophobicContact CB-CD1 3.87Å; H1163-I1235 HydrophobicContact CB-CD1 3.76Å; Q1166-I1235 VanDerWaalsContact OE1-CD1 3.24Å; C1176-I1235 PolarHBondContact SG-O 3.29Å; I1233-I1235 HydrophobicContact CG2-CD1 4.48Å; I1235-T1237 VanDerWaalsContact C-N 3.34Å; I1235-P1267 HydrophobicContact CB-CG 4.37Å
1236R96.9Very high97.4Very high59 Ų5942.8 Ų42.822%0.22322%0.224CC..THydrogen-bonded Turntrans-71.6-27.3177.4-176.2-169.557.372.7-1.2112.4C1176 S1234 E1265 P1267C1176-R1236 PolarHBondContact SG-O 2.85Å; C1176-R1236 VanDerWaalsContact SG-O 3.39Å; S1234-R1236 PolarHBondContact O-N 2.93Å; S1234-R1236 PolarHBondContact OG-N 2.86Å; R1236-E1265 IonicContact CZ-OE1 3.87Å; R1236-E1265 IonicContact CZ-OE2 2.78Å; R1236-E1265 VanDerWaalsContact CZ-OE2 3.27Å; R1236-E1265 IonicContact NE-OE1 3.27Å; R1236-E1265 IonicContact NE-OE2 2.64Å; R1236-E1265 PolarHBondContact NE-OE2 2.82Å; R1236-E1265 VanDerWaalsContact NH2-CD 3.3Å; R1236-E1265 IonicContact NH2-OE1 3.53Å; R1236-E1265 PolarHBondContact NH2-OE1 2.83Å; R1236-E1265 IonicContact NH2-OE2 2.67Å; R1236-E1265 PolarHBondContact NH2-OE2 3.36Å; R1236-P1267 HydrophobicContact CB-CB 4.38Å; R1236-P1267 WeakPolarHBondContact CD-O 3.24Å
1237T96.6Very high97.3Very high56 Ų5646.1 Ų46.134%0.34424%0.236SC..THydrogen-bonded Turntrans-108.2-3.6172.862.30000114S1234 I1235 L1241S1234-T1237 WeakPolarHBondContact CB-OG1 3.25Å; S1234-T1237 PolarHBondContact O-N 3.48Å; S1234-T1237 PolarHBondContact OG-N 3.31Å; S1234-T1237 PolarHBondContact OG-OG1 3.5Å; I1235-T1237 VanDerWaalsContact C-N 3.34Å; T1237-L1241 HydrophobicContact CG2-CD1 4.41Å; T1237-L1241 HydrophobicContact CG2-CD2 4.25Å
1238G96.9Very high97.2Very high16 Ų1648.6 Ų48.617%0.16525%0.247CC..THydrogen-bonded Turntrans64.836.6-176.200000113H1167 S1234H1167-G1238 PolarHBondContact ND1-O 2.73Å; S1234-G1238 PolarHBondContact O-N 2.8Å
1239G97.1Very high97Very high5 Ų549 Ų495%0.05225%0.253CS..EExtended strand (participates in β ladder)trans176.4-154.2-174.100000114.2H1167 S1234H1167-G1239 WeakPolarHBondContact ND1-CA 3.18Å; S1234-G1239 PolarHBondContact N-O 3.31Å; S1234-G1239 PolarHBondContact O-N 2.78Å
1240V98Very high96.8Very high48 Ų4849.3 Ų49.329%0.29126%0.26SS..EExtended strand (participates in β ladder)trans-99.4146.5-175.5-63.80000113.3F1226 F1231 A1232F1226-V1240 HydrophobicContact CE2-CG1 3.67Å; F1226-V1240 HydrophobicContact CZ-CG1 4Å; F1231-V1240 HydrophobicContact CB-CB 4.21Å; F1231-V1240 HydrophobicContact CB-CG1 4.42Å; F1231-V1240 HydrophobicContact CD1-CB 3.98Å; F1231-V1240 HydrophobicContact CD1-CG2 3.88Å; F1231-V1240 HydrophobicContact CE1-CG2 4.31Å; F1231-V1240 HydrophobicContact CG-CB 4.37Å; A1232-V1240 WeakPolarHBondContact O-CA 3.48Å
1241L97.9Very high96.3Very high28 Ų2846.3 Ų46.315%0.14725%0.246CC..EExtended strand (participates in β ladder)trans-123.5144.8171.7-67.7174.9000110.1F1231 A1232 T1237 V1243 E1265F1231-L1241 CarbonylContact C-O 3.59Å; F1231-L1241 WeakPolarHBondContact CA-O 3.31Å; A1232-L1241 PolarHBondContact N-O 3.48Å; A1232-L1241 PolarHBondContact O-N 3.43Å; T1237-L1241 HydrophobicContact CG2-CD1 4.41Å; T1237-L1241 HydrophobicContact CG2-CD2 4.25Å; L1241-V1243 PolarHBondContact O-N 2.83Å; L1241-E1265 WeakPolarHBondContact CD1-OE1 3.31Å
1242P98.2Very high95.6Very high54 Ų5447.7 Ų47.735%0.35126%0.263SS..EExtended strand (participates in β ladder)trans-60.2133.3170.6-22.933.8000111.2N1230 S1244 T1245 C1246N1230-P1242 WeakPolarHBondContact O-CA 3.43Å; P1242-S1244 WeakPolarHBondContact CB-OG 3.32Å; P1242-S1244 PolarHBondContact O-N 2.68Å; P1242-S1244 VanDerWaalsContact O-N 3.13Å; P1242-T1245 WeakPolarHBondContact O-CA 3.16Å; P1242-T1245 VanDerWaalsContact O-CB 3.3Å; P1242-T1245 WeakPolarHBondContact O-CB 3.39Å; P1242-T1245 PolarHBondContact O-N 3.29Å; P1242-C1246 PolarHBondContact O-N 3.38Å
1243V97.7Very high95Very high2 Ų250.4 Ų50.41%0.01228%0.275CS..Hα-helixtrans-58.5-29.8178.4175.50000111.4N1230 F1231 A1232 L1241 C1246 R1247 W1259 N1263N1230-V1243 PolarHBondContact O-N 3.43Å; F1231-V1243 VanDerWaalsContact C-CG2 3.49Å; A1232-V1243 HydrophobicContact CB-CG2 4.2Å; L1241-V1243 PolarHBondContact O-N 2.83Å; V1243-C1246 PolarHBondContact O-N 2.91Å; V1243-R1247 HydrophobicContact CG1-CG 4.4Å; V1243-R1247 WeakPolarHBondContact O-CB 3.46Å; V1243-R1247 VanDerWaalsContact O-CG 3.3Å; V1243-R1247 WeakPolarHBondContact O-CG 3.2Å; V1243-R1247 PolarHBondContact O-N 2.99Å; V1243-W1259 HydrophobicContact CG1-CB 4.01Å; V1243-N1263 HydrophobicContact CG2-CB 3.91Å
1244S96.6Very high94.7Very high78 Ų7851.8 Ų51.855%0.54528%0.282SS..Hα-helixtrans-60.2-41170.749.30000113.1P1242 M1248P1242-S1244 WeakPolarHBondContact CB-OG 3.32Å; P1242-S1244 PolarHBondContact O-N 2.68Å; P1242-S1244 VanDerWaalsContact O-N 3.13Å; S1244-M1248 VanDerWaalsContact O-CG 3.31Å; S1244-M1248 WeakPolarHBondContact O-CG 3.36Å; S1244-M1248 PolarHBondContact O-N 2.79Å
1245T96.8Very high94.4Very high79 Ų7954.3 Ų54.349%0.48530%0.296SS..Hα-helixtrans-65.8-46.2175.4-56.40000110.8P1242 R1247 M1248 A1249P1242-T1245 WeakPolarHBondContact O-CA 3.16Å; P1242-T1245 VanDerWaalsContact O-CB 3.3Å; P1242-T1245 WeakPolarHBondContact O-CB 3.39Å; P1242-T1245 PolarHBondContact O-N 3.29Å; T1245-R1247 PolarHBondContact O-N 2.87Å; T1245-M1248 CarbonylContact O-C 3.57Å; T1245-M1248 PolarHBondContact O-N 3.2Å; T1245-A1249 PolarHBondContact O-N 3.27Å; T1245-A1249 VanDerWaalsContact O-N 3.16Å
1246C97Very high94.2Very high1 Ų156.9 Ų56.91%0.00731%0.311CS..Hα-helixtrans-64.1-40.5-180-58.10000112.5P1242 V1243 M1248 A1249 N1254 W1259P1242-C1246 PolarHBondContact O-N 3.38Å; V1243-C1246 PolarHBondContact O-N 2.91Å; C1246-M1248 PolarHBondContact O-N 2.9Å; C1246-A1249 WeakPolarHBondContact O-CB 3.45Å; C1246-A1249 PolarHBondContact O-N 2.92Å; C1246-A1249 VanDerWaalsContact O-N 3.11Å; C1246-N1254 PolarHBondContact O-ND2 3.18Å; C1246-W1259 HydrophobicContact CB-CD2 4.03Å; C1246-W1259 HydrophobicContact CB-CE3 3.89Å; C1246-W1259 HydrophobicContact CB-CH2 3.53Å; C1246-W1259 HydrophobicContact CB-CZ2 3.67Å; C1246-W1259 HydrophobicContact CB-CZ3 3.65Å
1247R96.2Very high94Very high93 Ų9359.4 Ų59.435%0.35132%0.322SS..Hα-helixtrans-58.7-26.4171.5-77.3174.3-175.7151.16.2113.4V1243 T1245 V1256 W1259V1243-R1247 HydrophobicContact CG1-CG 4.4Å; V1243-R1247 WeakPolarHBondContact O-CB 3.46Å; V1243-R1247 VanDerWaalsContact O-CG 3.3Å; V1243-R1247 WeakPolarHBondContact O-CG 3.2Å; V1243-R1247 PolarHBondContact O-N 2.99Å; T1245-R1247 PolarHBondContact O-N 2.87Å; R1247-V1256 HydrophobicContact CB-CG1 4.26Å; R1247-V1256 HydrophobicContact CG-CG1 4.22Å; R1247-W1259 HydrophobicContact CG-CB 3.6Å; R1247-W1259 HydrophobicContact CG-CG 3.69Å; R1247-W1259 PolarHBondContact NE-O 2.37Å; R1247-W1259 PolarHBondContact NH2-O 3.09Å
1248M95Very high93.9Very high113 Ų11358.7 Ų58.756%0.55732%0.315SS*.THydrogen-bonded Turntrans-98.52.8179.2-61.2-58.7-66.300113.6F139 S1244 T1245 C1246 K1250F139-M1248 HydrophobicContact CD2-CE 4.15Å; F139-M1248 HydrophobicContact CE1-SD 4.27Å; F139-M1248 HydrophobicContact CE2-CE 3.79Å; F139-M1248 HydrophobicContact CE2-SD 3.76Å; F139-M1248 HydrophobicContact CZ-CE 4.03Å; F139-M1248 HydrophobicContact CZ-SD 3.53Å; F139-M1248 VanDerWaalsContact CZ-SD 3.53Å; S1244-M1248 VanDerWaalsContact O-CG 3.31Å; S1244-M1248 WeakPolarHBondContact O-CG 3.36Å; S1244-M1248 PolarHBondContact O-N 2.79Å; T1245-M1248 CarbonylContact O-C 3.57Å; T1245-M1248 PolarHBondContact O-N 3.2Å; C1246-M1248 PolarHBondContact O-N 2.9Å; M1248-K1250 PolarHBondContact O-N 2.82Å
1249A93.2Very high93.8Very high24 Ų2458.1 Ų58.120%0.19831%0.307CS..  trans-66.4126.3-179.100000111.6T1245 C1246 S1251 N1254 L1270T1245-A1249 PolarHBondContact O-N 3.27Å; T1245-A1249 VanDerWaalsContact O-N 3.16Å; C1246-A1249 WeakPolarHBondContact O-CB 3.45Å; C1246-A1249 PolarHBondContact O-N 2.92Å; C1246-A1249 VanDerWaalsContact O-N 3.11Å; A1249-S1251 PolarHBondContact O-N 2.8Å; A1249-N1254 PolarHBondContact O-ND2 2.71Å; A1249-L1270 HydrophobicContact CB-CB 4.1Å; A1249-L1270 HydrophobicContact CB-CD1 4.28Å
1250K89.5Confident93.6Very high210 Ų21062.4 Ų62.491%0.91333%0.325SS*.  trans-7777.3-174.5-66.4179.9-179.2174.80112.2M1248M1248-K1250 PolarHBondContact O-N 2.82Å
1251S87Confident93.4Very high25 Ų2563 Ų6318%0.17532%0.324CS..  trans-127.6138.4173.6162.20000111.7A1249 K1253 N1254 D1269A1249-S1251 PolarHBondContact O-N 2.8Å; S1251-K1253 PolarHBondContact O-N 2.67Å; S1251-K1253 VanDerWaalsContact O-N 3.16Å; S1251-K1253 PolarHBondContact OG-N 2.92Å; S1251-K1253 VanDerWaalsContact OG-N 3.14Å; S1251-N1254 PolarHBondContact O-N 3.29Å; S1251-D1269 WeakPolarHBondContact CB-O 3.19Å; S1251-D1269 PolarHBondContact OG-O 3.3Å
1252P83.5Confident93.4Very high109 Ų10961.8 Ų61.871%0.70832%0.318SS*.THydrogen-bonded Turntrans-62.5-15.8174.2-21.833.3000114.9
1253K85.5Confident93.4Very high58 Ų5859.2 Ų59.225%0.25230%0.301SS..THydrogen-bonded Turntrans-98.8-18.7178.8-76.2-179.9179.3-175.60113.7R1087 S1251 D1269R1087-K1253 PolarHBondContact NH1-O 2.82Å; R1087-K1253 PolarHBondContact NH2-O 2.96Å; S1251-K1253 PolarHBondContact O-N 2.67Å; S1251-K1253 VanDerWaalsContact O-N 3.16Å; S1251-K1253 PolarHBondContact OG-N 2.92Å; S1251-K1253 VanDerWaalsContact OG-N 3.14Å; K1253-D1269 HydrophobicContact CD-CB 3.87Å; K1253-D1269 VanDerWaalsContact CD-CG 3.42Å; K1253-D1269 WeakPolarHBondContact CD-OD2 3.36Å; K1253-D1269 WeakPolarHBondContact CE-OD2 3.29Å; K1253-D1269 IonicContact NZ-OD2 3.19Å; K1253-D1269 PolarHBondContact NZ-OD2 2.99Å
1254N92.4Very high93.4Very high28 Ų2859.1 Ų59.115%0.1530%0.301CS..  trans-70141.3-178.5-17220.5000110.9C1246 A1249 S1251 W1259C1246-N1254 PolarHBondContact O-ND2 3.18Å; A1249-N1254 PolarHBondContact O-ND2 2.71Å; S1251-N1254 PolarHBondContact O-N 3.29Å; N1254-W1259 PolarHBondContact OD1-NE1 3Å
1255D92Very high93.5Very high53 Ų5355.6 Ų55.628%0.28328%0.276SS..  trans-137.4118.8-178173.72000108.3Y1257 Q1258D1255-Y1257 PolarHBondContact O-N 2.67Å; D1255-Y1257 VanDerWaalsContact O-N 3.11Å; D1255-Y1257 VanDerWaalsContact OD1-CD2 3.32Å; D1255-Y1257 WeakPolarHBondContact OD1-CD2 3.32Å; D1255-Y1257 PolarHBondContact OD1-N 3.13Å; D1255-Q1258 HydrophobicContact CB-CB 4.27Å; D1255-Q1258 HydrophobicContact CB-CG 3.93Å; D1255-Q1258 VanDerWaalsContact CB-NE2 3.31Å; D1255-Q1258 PolarHBondContact O-N 3.34Å; D1255-Q1258 WeakPolarHBondContact OD2-CG 3.3Å; D1255-Q1258 PolarHBondContact OD2-NE2 3.2Å
1256V94Very high93.5Very high55 Ų5552.4 Ų52.433%0.33326%0.255SS..G310 helixtrans-53.3-34.1-178.4-174.70000111.7R1247 Q1258R1247-V1256 HydrophobicContact CB-CG1 4.26Å; R1247-V1256 HydrophobicContact CG-CG1 4.22Å; V1256-Q1258 VanDerWaalsContact C-N 3.35Å
1257Y92.7Very high93.5Very high112 Ų11252.4 Ų52.444%0.43926%0.255SS..G310 helixtrans-83.6-7.5-175.6-54.3-71.8000113.9H146 D1255 K1260H146-Y1257 WeakPolarHBondContact CB-OH 3.35Å; H146-Y1257 AromaticContact CD2-CE1 3.81Å; H146-Y1257 AromaticContact CD2-CE2 3.99Å; H146-Y1257 AromaticContact CD2-CZ 3.41Å; H146-Y1257 VanDerWaalsContact CD2-CZ 3.41Å; H146-Y1257 PolarHBondContact CD2-OH 3.12Å; H146-Y1257 VanDerWaalsContact CD2-OH 3.27Å; H146-Y1257 AromaticContact CE1-CE2 3.68Å; H146-Y1257 AromaticContact CE1-CZ 3.92Å; H146-Y1257 AromaticContact CG-CZ 3.71Å; H146-Y1257 VanDerWaalsContact CG-OH 3.22Å; H146-Y1257 AromaticContact ND1-CE2 3.92Å; H146-Y1257 AromaticContact NE2-CE1 3.9Å; H146-Y1257 AromaticContact NE2-CE2 3.72Å; H146-Y1257 AromaticContact NE2-CZ 3.56Å; D1255-Y1257 PolarHBondContact O-N 2.67Å; D1255-Y1257 VanDerWaalsContact O-N 3.11Å; D1255-Y1257 VanDerWaalsContact OD1-CD2 3.32Å; D1255-Y1257 WeakPolarHBondContact OD1-CD2 3.32Å; D1255-Y1257 PolarHBondContact OD1-N 3.13Å; Y1257-K1260 WeakPolarHBondContact O-CE 3.2Å
1258Q94Very high93.3Very high42 Ų4248.9 Ų48.920%0.19624%0.242CC..G310 helixtrans-86.5-6.9174.6-71.8170.437.100112.9D1255 V1256 K1260 N1272 R1275D1255-Q1258 HydrophobicContact CB-CB 4.27Å; D1255-Q1258 HydrophobicContact CB-CG 3.93Å; D1255-Q1258 VanDerWaalsContact CB-NE2 3.31Å; D1255-Q1258 PolarHBondContact O-N 3.34Å; D1255-Q1258 WeakPolarHBondContact OD2-CG 3.3Å; D1255-Q1258 PolarHBondContact OD2-NE2 3.2Å; V1256-Q1258 VanDerWaalsContact C-N 3.35Å; Q1258-K1260 PolarHBondContact O-N 3.08Å; Q1258-N1272 PolarHBondContact O-ND2 2.75Å; Q1258-R1275 HydrophobicContact CB-CB 3.94Å; Q1258-R1275 HydrophobicContact CG-CB 4.18Å
1259W95.5Very high93.2Very high3 Ų344.4 Ų44.41%0.01122%0.221CC..  trans-9680.8176.6-61.694.2000111A1232 V1243 C1246 R1247 N1254 N1263 E1265 N1272A1232-W1259 HydrophobicContact CB-CZ3 3.96Å; V1243-W1259 HydrophobicContact CG1-CB 4.01Å; C1246-W1259 HydrophobicContact CB-CD2 4.03Å; C1246-W1259 HydrophobicContact CB-CE3 3.89Å; C1246-W1259 HydrophobicContact CB-CH2 3.53Å; C1246-W1259 HydrophobicContact CB-CZ2 3.67Å; C1246-W1259 HydrophobicContact CB-CZ3 3.65Å; R1247-W1259 HydrophobicContact CG-CB 3.6Å; R1247-W1259 HydrophobicContact CG-CG 3.69Å; R1247-W1259 PolarHBondContact NE-O 2.37Å; R1247-W1259 PolarHBondContact NH2-O 3.09Å; N1254-W1259 PolarHBondContact OD1-NE1 3Å; W1259-N1263 VanDerWaalsContact C-OD1 3.25Å; W1259-N1263 WeakPolarHBondContact CA-OD1 3.24Å; W1259-N1263 HydrophobicContact CE3-CB 3.96Å; W1259-N1263 HydrophobicContact CZ3-CB 4.28Å; W1259-E1265 HydrophobicContact CH2-CB 4.36Å; W1259-N1272 HydrophobicContact CD2-CB 3.95Å; W1259-N1272 HydrophobicContact CE3-CB 3.95Å; W1259-N1272 HydrophobicContact CH2-CB 4.05Å; W1259-N1272 HydrophobicContact CZ2-CB 4.05Å; W1259-N1272 HydrophobicContact CZ3-CB 4Å
1260K92.5Very high93.3Very high96 Ų9644.6 Ų44.642%0.41722%0.218SC..SBendtrans-113.5-96.4-179-63.1-173.5-171.2174.70111.6Y1257 Q1258 N1263Y1257-K1260 WeakPolarHBondContact O-CE 3.2Å; Q1258-K1260 PolarHBondContact O-N 3.08Å; K1260-N1263 PolarHBondContact N-OD1 2.77Å; K1260-N1263 PolarHBondContact O-ND2 3.05Å
1261E95.3Very high93.6Very high60 Ų6034.9 Ų34.928%0.2818%0.177SC..SBendtrans-85.2-67.7-166.4-47.8-50.4140.100111.8N1263 V1277 F1283E1261-N1263 PolarHBondContact O-ND2 2.83Å; E1261-V1277 HydrophobicContact CB-CG1 4.34Å; E1261-F1283 HydrophobicContact CB-CB 3.91Å; E1261-F1283 HydrophobicContact CB-CD1 3.6Å; E1261-F1283 HydrophobicContact CB-CD2 4.01Å; E1261-F1283 HydrophobicContact CB-CE1 4.01Å; E1261-F1283 HydrophobicContact CB-CE2 4.41Å; E1261-F1283 HydrophobicContact CB-CG 3.58Å; E1261-F1283 HydrophobicContact CB-CZ 4.4Å; E1261-F1283 HydrophobicContact CG-CB 4.16Å; E1261-F1283 HydrophobicContact CG-CD1 4.24Å; E1261-F1283 HydrophobicContact CG-CG 4.29Å
1262L97.1Very high94Very high2 Ų233.7 Ų33.71%0.0117%0.169CC..SBendtrans-96.4121.3173.8-175.556.4000109.7I1152 M1160 F1228 I1264 N1272 A1274 V1277 F1283I1152-L1262 HydrophobicContact CD1-CD2 4Å; I1152-L1262 HydrophobicContact CG1-CD2 3.88Å; I1152-L1262 HydrophobicContact CG2-CD2 4.16Å; M1160-L1262 HydrophobicContact SD-CD2 4.23Å; F1228-L1262 HydrophobicContact CD1-CD1 3.45Å; F1228-L1262 VanDerWaalsContact CD1-CD1 3.45Å; F1228-L1262 HydrophobicContact CE1-CD1 3.46Å; F1228-L1262 VanDerWaalsContact CE1-CD1 3.46Å; L1262-I1264 HydrophobicContact CD1-CD1 4.33Å; L1262-I1264 HydrophobicContact CD1-CG1 4.33Å; L1262-I1264 HydrophobicContact CD2-CD1 4.41Å; L1262-I1264 HydrophobicContact CG-CD1 4.23Å; L1262-I1264 HydrophobicContact CG-CG1 4.26Å; L1262-N1272 PolarHBondContact O-ND2 2.7Å; L1262-A1274 HydrophobicContact CB-CB 3.97Å; L1262-A1274 HydrophobicContact CD2-CB 3.78Å; L1262-A1274 HydrophobicContact CG-CB 3.56Å; L1262-V1277 HydrophobicContact CB-CB 3.96Å; L1262-V1277 HydrophobicContact CB-CG1 4.08Å; L1262-V1277 HydrophobicContact CB-CG2 4.38Å; L1262-V1277 HydrophobicContact CD2-CG2 4.2Å; L1262-F1283 HydrophobicContact CB-CE2 4.24Å
1263N97.9Very high94.6Very high1 Ų129.5 Ų29.51%0.00514%0.141CC..  trans-118.7110.9-170.2-65.9-65.1000110.5F1228 A1232 I1233 V1243 W1259 K1260 E1261F1228-N1263 PolarHBondContact O-ND2 2.89Å; A1232-N1263 CarbonylContact C-O 3.58Å; A1232-N1263 VanDerWaalsContact CA-O 3.23Å; A1232-N1263 WeakPolarHBondContact CA-O 3.27Å; A1232-N1263 HydrophobicContact CB-CB 3.86Å; I1233-N1263 PolarHBondContact N-O 3.46Å; V1243-N1263 HydrophobicContact CG2-CB 3.91Å; W1259-N1263 VanDerWaalsContact C-OD1 3.25Å; W1259-N1263 WeakPolarHBondContact CA-OD1 3.24Å; W1259-N1263 HydrophobicContact CE3-CB 3.96Å; W1259-N1263 HydrophobicContact CZ3-CB 4.28Å; K1260-N1263 PolarHBondContact N-OD1 2.77Å; K1260-N1263 PolarHBondContact O-ND2 3.05Å; E1261-N1263 PolarHBondContact O-ND2 2.83Å
1264I98.3Very high95.1Very high0 Ų026.7 Ų26.70%013%0.129CC..BIsolated β-bridgetrans-138.5121.3-177.2-51.7-170.3000109.6L1159 M1160 I1233 L1262 N1272 T1273 A1274L1159-I1264 HydrophobicContact CB-CG2 4.07Å; L1159-I1264 HydrophobicContact CD1-CG2 3.69Å; M1160-I1264 HydrophobicContact CG-CD1 3.69Å; M1160-I1264 HydrophobicContact SD-CD1 4.22Å; I1233-I1264 HydrophobicContact CB-CB 4.4Å; I1233-I1264 HydrophobicContact CB-CG1 4.19Å; I1233-I1264 HydrophobicContact CB-CG2 4.11Å; I1233-I1264 HydrophobicContact CD1-CD1 4.06Å; I1233-I1264 HydrophobicContact CD1-CG1 4.07Å; I1233-I1264 HydrophobicContact CG2-CG2 4.04Å; L1262-I1264 HydrophobicContact CD1-CD1 4.33Å; L1262-I1264 HydrophobicContact CD1-CG1 4.33Å; L1262-I1264 HydrophobicContact CD2-CD1 4.41Å; L1262-I1264 HydrophobicContact CG-CD1 4.23Å; L1262-I1264 HydrophobicContact CG-CG1 4.26Å; I1264-N1272 PolarHBondContact N-OD1 3.37Å; I1264-N1272 CarbonylContact O-C 3.55Å; I1264-N1272 VanDerWaalsContact O-CA 3.29Å; I1264-N1272 WeakPolarHBondContact O-CA 3.26Å; I1264-N1272 PolarHBondContact O-OD1 3.47Å; I1264-N1272 VanDerWaalsContact O-OD1 3.14Å; I1264-T1273 WeakPolarHBondContact CB-OG1 3.42Å; I1264-T1273 HydrophobicContact CG2-CG2 4.39Å; I1264-T1273 WeakPolarHBondContact CG2-OG1 3Å; I1264-T1273 PolarHBondContact O-N 3.44Å; I1264-A1274 HydrophobicContact CB-CB 4.3Å; I1264-A1274 HydrophobicContact CD1-CB 4Å; I1264-A1274 HydrophobicContact CG1-CB 3.9Å
1265E98.2Very high95.2Very high4 Ų429.9 Ų29.92%0.01914%0.139CC..BIsolated β-bridgetrans-74.3124.2-180-168.3-171.1-123.100112.1I1233 S1234 R1236 L1241 W1259 L1270I1233-E1265 WeakPolarHBondContact O-CB 3.09Å; I1233-E1265 PolarHBondContact O-N 2.93Å; S1234-E1265 WeakPolarHBondContact CB-OE2 3.45Å; S1234-E1265 PolarHBondContact OG-OE2 2.97Å; R1236-E1265 IonicContact CZ-OE1 3.87Å; R1236-E1265 IonicContact CZ-OE2 2.78Å; R1236-E1265 VanDerWaalsContact CZ-OE2 3.27Å; R1236-E1265 IonicContact NE-OE1 3.27Å; R1236-E1265 IonicContact NE-OE2 2.64Å; R1236-E1265 PolarHBondContact NE-OE2 2.82Å; R1236-E1265 VanDerWaalsContact NH2-CD 3.3Å; R1236-E1265 IonicContact NH2-OE1 3.53Å; R1236-E1265 PolarHBondContact NH2-OE1 2.83Å; R1236-E1265 IonicContact NH2-OE2 2.67Å; R1236-E1265 PolarHBondContact NH2-OE2 3.36Å; L1241-E1265 WeakPolarHBondContact CD1-OE1 3.31Å; W1259-E1265 HydrophobicContact CH2-CB 4.36Å; E1265-L1270 HydrophobicContact CG-CD2 4.14Å
1266E96.7Very high95.3Very high12 Ų1228.2 Ų28.26%0.05613%0.131CC..  trans-66120.6168-152.4-63.7147.900109.2V1110 N1114 F1268 D1269 L1270 S1271 T1273V1110-E1266 WeakPolarHBondContact CG1-OE1 3.45Å; N1114-E1266 PolarHBondContact ND2-OE1 2.91Å; E1266-F1268 VanDerWaalsContact C-N 3.25Å; E1266-F1268 PolarHBondContact O-N 3.26Å; E1266-F1268 VanDerWaalsContact O-N 3.1Å; E1266-F1268 WeakPolarHBondContact OE2-CA 3.46Å; E1266-F1268 PolarHBondContact OE2-N 2.85Å; E1266-D1269 PolarHBondContact OE2-N 2.85Å; E1266-L1270 WeakPolarHBondContact O-CA 3.39Å; E1266-L1270 PolarHBondContact O-N 3.48Å; E1266-S1271 VanDerWaalsContact CB-O 3.32Å; E1266-S1271 WeakPolarHBondContact CB-O 3.44Å; E1266-S1271 PolarHBondContact N-O 3.45Å; E1266-T1273 HydrophobicContact CB-CG2 3.79Å; E1266-T1273 HydrophobicContact CG-CG2 3.98Å
1267P96.1Very high95.3Very high0 Ų025.7 Ų25.70%012%0.116CC..THydrogen-bonded Turntrans-64.1-19.9-166.1-25.235.1000116.5L1117 Y1155 L1187 I1235 R1236L1117-P1267 HydrophobicContact CD2-CB 4.01Å; L1117-P1267 HydrophobicContact CD2-CG 4.03Å; Y1155-P1267 VanDerWaalsContact OH-CD 3.3Å; Y1155-P1267 WeakPolarHBondContact OH-CD 3.46Å; L1187-P1267 WeakPolarHBondContact CD2-O 3.34Å; I1235-P1267 HydrophobicContact CB-CG 4.37Å; R1236-P1267 HydrophobicContact CB-CB 4.38Å; R1236-P1267 WeakPolarHBondContact CD-O 3.24Å
1268F93.9Very high95.2Very high19 Ų1925.9 Ų25.98%0.08312%0.117CC..THydrogen-bonded Turntrans-116-33.1-173.8-60.5-75.7000113.6V1110 K1113 L1117 H1178 F1185 E1266V1110-F1268 HydrophobicContact CG1-CB 4.48Å; K1113-F1268 HydrophobicContact CB-CD1 4.33Å; K1113-F1268 HydrophobicContact CB-CD2 3.94Å; K1113-F1268 HydrophobicContact CB-CE1 4.15Å; K1113-F1268 HydrophobicContact CB-CE2 3.74Å; K1113-F1268 HydrophobicContact CB-CG 4.23Å; K1113-F1268 HydrophobicContact CB-CZ 3.85Å; K1113-F1268 HydrophobicContact CD-CD1 4.15Å; K1113-F1268 HydrophobicContact CD-CE1 4.37Å; K1113-F1268 HydrophobicContact CD-CG 4.47Å; L1117-F1268 HydrophobicContact CB-CE2 4.29Å; L1117-F1268 HydrophobicContact CB-CZ 4.15Å; L1117-F1268 HydrophobicContact CD2-CE2 3.86Å; L1117-F1268 HydrophobicContact CD2-CZ 3.97Å; H1178-F1268 AromaticContact NE2-CE1 3.95Å; F1185-F1268 HydrophobicContact CB-CE1 4.25Å; F1185-F1268 HydrophobicContact CD1-CE1 4.12Å; F1185-F1268 HydrophobicContact CD1-CZ 4.01Å; E1266-F1268 VanDerWaalsContact C-N 3.25Å; E1266-F1268 PolarHBondContact O-N 3.26Å; E1266-F1268 VanDerWaalsContact O-N 3.1Å; E1266-F1268 WeakPolarHBondContact OE2-CA 3.46Å; E1266-F1268 PolarHBondContact OE2-N 2.85Å
1269D92.2Very high95.2Very high20 Ų2026.3 Ų26.311%0.10712%0.12CC..THydrogen-bonded Turntrans-114.22-17981.842.9000115.2V1110 S1251 K1253 E1266 S1271V1110-D1269 HydrophobicContact CG2-CB 4.48Å; S1251-D1269 WeakPolarHBondContact CB-O 3.19Å; S1251-D1269 PolarHBondContact OG-O 3.3Å; K1253-D1269 HydrophobicContact CD-CB 3.87Å; K1253-D1269 VanDerWaalsContact CD-CG 3.42Å; K1253-D1269 WeakPolarHBondContact CD-OD2 3.36Å; K1253-D1269 WeakPolarHBondContact CE-OD2 3.29Å; K1253-D1269 IonicContact NZ-OD2 3.19Å; K1253-D1269 PolarHBondContact NZ-OD2 2.99Å; E1266-D1269 PolarHBondContact OE2-N 2.85Å; D1269-S1271 PolarHBondContact O-N 3.1Å; D1269-S1271 WeakPolarHBondContact OD1-CB 3.29Å; D1269-S1271 PolarHBondContact OD1-N 3.4Å; D1269-S1271 PolarHBondContact OD1-OG 2.83Å
1270L95.3Very high95.1Very high27 Ų2727.3 Ų27.314%0.14113%0.132CC..  trans55.826.3167.2-43.4-179.8000114.5L1187 A1249 E1265 E1266L1187-L1270 HydrophobicContact CD1-CD1 4.42Å; L1187-L1270 HydrophobicContact CD2-CD2 4.3Å; A1249-L1270 HydrophobicContact CB-CB 4.1Å; A1249-L1270 HydrophobicContact CB-CD1 4.28Å; E1265-L1270 HydrophobicContact CG-CD2 4.14Å; E1266-L1270 WeakPolarHBondContact O-CA 3.39Å; E1266-L1270 PolarHBondContact O-N 3.48Å
1271S94.8Very high95.2Very high6 Ų627.3 Ų27.34%0.04214%0.142CC..SBendtrans-92.2173169.967.30000111.4E1266 D1269E1266-S1271 VanDerWaalsContact CB-O 3.32Å; E1266-S1271 WeakPolarHBondContact CB-O 3.44Å; E1266-S1271 PolarHBondContact N-O 3.45Å; D1269-S1271 PolarHBondContact O-N 3.1Å; D1269-S1271 WeakPolarHBondContact OD1-CB 3.29Å; D1269-S1271 PolarHBondContact OD1-N 3.4Å; D1269-S1271 PolarHBondContact OD1-OG 2.83Å
1272N96.8Very high95.2Very high1 Ų125.6 Ų25.61%0.00514%0.135CC..BIsolated β-bridgetrans-83.8118174.5-173.99.1000111.2Q1258 W1259 L1262 I1264 A1274 R1275Q1258-N1272 PolarHBondContact O-ND2 2.75Å; W1259-N1272 HydrophobicContact CD2-CB 3.95Å; W1259-N1272 HydrophobicContact CE3-CB 3.95Å; W1259-N1272 HydrophobicContact CH2-CB 4.05Å; W1259-N1272 HydrophobicContact CZ2-CB 4.05Å; W1259-N1272 HydrophobicContact CZ3-CB 4Å; L1262-N1272 PolarHBondContact O-ND2 2.7Å; I1264-N1272 PolarHBondContact N-OD1 3.37Å; I1264-N1272 CarbonylContact O-C 3.55Å; I1264-N1272 VanDerWaalsContact O-CA 3.29Å; I1264-N1272 WeakPolarHBondContact O-CA 3.26Å; I1264-N1272 PolarHBondContact O-OD1 3.47Å; I1264-N1272 VanDerWaalsContact O-OD1 3.14Å; N1272-A1274 VanDerWaalsContact C-N 3.32Å; N1272-A1274 PolarHBondContact OD1-N 2.7Å; N1272-R1275 HydrophobicContact CB-CB 4.37Å
1273T96.2Very high95.1Very high20 Ų2026 Ų2612%0.12314%0.137CC..THydrogen-bonded Turntrans-71.1-30177.678.60000112.3Y1155 S1156 L1159 I1264 E1266Y1155-T1273 HydrophobicContact CD1-CG2 4.36Å; Y1155-T1273 HydrophobicContact CE1-CG2 3.7Å; S1156-T1273 PolarHBondContact OG-O 2.98Å; S1156-T1273 PolarHBondContact OG-OG1 2.95Å; L1159-T1273 HydrophobicContact CD1-CG2 3.8Å; I1264-T1273 WeakPolarHBondContact CB-OG1 3.42Å; I1264-T1273 HydrophobicContact CG2-CG2 4.39Å; I1264-T1273 WeakPolarHBondContact CG2-OG1 3Å; I1264-T1273 PolarHBondContact O-N 3.44Å; E1266-T1273 HydrophobicContact CB-CG2 3.79Å; E1266-T1273 HydrophobicContact CG-CG2 3.98Å
1274A96.3Very high95Very high0 Ų030.1 Ų30.10%016%0.156CC..THydrogen-bonded Turntrans-94.210.2-173.700000113.9L1262 I1264 N1272 S1276 V1277L1262-A1274 HydrophobicContact CB-CB 3.97Å; L1262-A1274 HydrophobicContact CD2-CB 3.78Å; L1262-A1274 HydrophobicContact CG-CB 3.56Å; I1264-A1274 HydrophobicContact CB-CB 4.3Å; I1264-A1274 HydrophobicContact CD1-CB 4Å; I1264-A1274 HydrophobicContact CG1-CB 3.9Å; N1272-A1274 VanDerWaalsContact C-N 3.32Å; N1272-A1274 PolarHBondContact OD1-N 2.7Å; A1274-S1276 PolarHBondContact O-N 3.38Å; A1274-V1277 WeakPolarHBondContact O-CB 3.28Å; A1274-V1277 PolarHBondContact O-N 3.49Å
1275R94.1Very high94.9Very high95 Ų9533.5 Ų33.536%0.35817%0.169SC..THydrogen-bonded Turntrans-52.1-12.4-179.367.9177.3175-133.2-11.8117.1R1087 Q1258 N1272 V1277R1087-R1275 VanDerWaalsContact NH1-NH1 3.13Å; Q1258-R1275 HydrophobicContact CB-CB 3.94Å; Q1258-R1275 HydrophobicContact CG-CB 4.18Å; N1272-R1275 HydrophobicContact CB-CB 4.37Å; R1275-V1277 VanDerWaalsContact C-N 3.26Å
1276S93.3Very high94.8Very high18 Ų1833.5 Ų33.513%0.12617%0.169CC..THydrogen-bonded Turntrans-67.3-29.8170.245.50000111.7A1147 M1150 T1151 A1274 Y1278A1147-S1276 WeakPolarHBondContact O-CB 3.49Å; M1150-S1276 CarbonylContact C-O 3.12Å; M1150-S1276 VanDerWaalsContact CA-O 3.23Å; M1150-S1276 WeakPolarHBondContact CA-O 3.33Å; M1150-S1276 WeakPolarHBondContact CB-O 3.4Å; T1151-S1276 PolarHBondContact O-OG 3.04Å; A1274-S1276 PolarHBondContact O-N 3.38Å; S1276-Y1278 VanDerWaalsContact C-N 3.29Å; S1276-Y1278 WeakPolarHBondContact O-CD1 3.37Å; S1276-Y1278 PolarHBondContact O-N 3.49Å
1277V94.8Very high94.8Very high2 Ų235.8 Ų35.81%0.01218%0.179CC..  trans-8475175.1-167.80000108.9M1150 T1151 I1152 E1261 L1262 A1274 R1275 F1283M1150-V1277 WeakPolarHBondContact O-CA 3.41Å; T1151-V1277 WeakPolarHBondContact O-CG2 3.32Å; I1152-V1277 HydrophobicContact CG1-CG2 4.23Å; E1261-V1277 HydrophobicContact CB-CG1 4.34Å; L1262-V1277 HydrophobicContact CB-CB 3.96Å; L1262-V1277 HydrophobicContact CB-CG1 4.08Å; L1262-V1277 HydrophobicContact CB-CG2 4.38Å; L1262-V1277 HydrophobicContact CD2-CG2 4.2Å; A1274-V1277 WeakPolarHBondContact O-CB 3.28Å; A1274-V1277 PolarHBondContact O-N 3.49Å; R1275-V1277 VanDerWaalsContact C-N 3.26Å; V1277-F1283 HydrophobicContact CG1-CB 3.91Å; V1277-F1283 HydrophobicContact CG1-CD2 3.78Å; V1277-F1283 HydrophobicContact CG1-CG 4.22Å
1278Y90.8Very high94.8Very high116 Ų11636.5 Ų36.546%0.45519%0.185SC..  trans-112.9-3.3178.667.6-102.3000113.7M1150 S1276M1150-Y1278 WeakPolarHBondContact CE-OH 3.48Å; M1150-Y1278 HydrophobicContact CG-CE1 4.13Å; M1150-Y1278 HydrophobicContact SD-CE1 4.35Å; M1150-Y1278 HydrophobicContact SD-CE2 4.07Å; M1150-Y1278 PolarHBondContact SD-OH 3.3Å; M1150-Y1278 VanDerWaalsContact SD-OH 3.37Å; S1276-Y1278 VanDerWaalsContact C-N 3.29Å; S1276-Y1278 WeakPolarHBondContact O-CD1 3.37Å; S1276-Y1278 PolarHBondContact O-N 3.49Å
1279D92.6Very high95Very high50 Ų5035.8 Ų35.827%0.26718%0.182SC..  trans-103.8123.2-178.1175.868.9000110.3M1150 T1282 F1283M1150-D1279 HydrophobicContact SD-CB 4.08Å; D1279-T1282 PolarHBondContact O-N 3.11Å; D1279-T1282 WeakPolarHBondContact OD2-CB 3.15Å; D1279-T1282 PolarHBondContact OD2-N 3.35Å; D1279-T1282 PolarHBondContact OD2-OG1 2.71Å; D1279-F1283 WeakPolarHBondContact O-CB 3.31Å; D1279-F1283 PolarHBondContact O-N 3.09Å
1280G94.2Very high95.3Very high25 Ų2534.9 Ų34.926%0.25818%0.177SC..Hα-helixtrans-59.5-55.5-176.100000113.3T1282 F1283 E1284G1280-T1282 VanDerWaalsContact C-N 3.28Å; G1280-T1282 PolarHBondContact O-N 3.36Å; G1280-F1283 CarbonylContact O-C 3.44Å; G1280-F1283 WeakPolarHBondContact O-CA 3.29Å; G1280-F1283 WeakPolarHBondContact O-CB 3.33Å; G1280-F1283 PolarHBondContact O-N 3.48Å; G1280-E1284 PolarHBondContact O-N 3.23Å
1281P94.8Very high95.4Very high96 Ų9636.8 Ų36.862%0.62319%0.187SC*.Hα-helixtrans-54.6-40.3176.8-28.736000113.9E1284 R1285P1281-E1284 PolarHBondContact O-N 2.82Å; P1281-R1285 PolarHBondContact O-N 3.39Å
1282T94.3Very high95.5Very high24 Ų2438.9 Ų38.915%0.14720%0.197CC..Hα-helixtrans-66.4-37.5175.4-57.40000111.9M1150 T1151 D1279 G1280 R1285 V1286M1150-T1282 HydrophobicContact CB-CG2 4.33Å; M1150-T1282 WeakPolarHBondContact O-CG2 3.23Å; T1151-T1282 HydrophobicContact CG2-CG2 3.65Å; D1279-T1282 PolarHBondContact O-N 3.11Å; D1279-T1282 WeakPolarHBondContact OD2-CB 3.15Å; D1279-T1282 PolarHBondContact OD2-N 3.35Å; D1279-T1282 PolarHBondContact OD2-OG1 2.71Å; G1280-T1282 VanDerWaalsContact C-N 3.28Å; G1280-T1282 PolarHBondContact O-N 3.36Å; T1282-R1285 PolarHBondContact O-N 2.86Å; T1282-V1286 WeakPolarHBondContact O-CG2 3.29Å; T1282-V1286 PolarHBondContact O-N 2.88Å
1283F96.2Very high95.6Very high10 Ų1038.8 Ų38.84%0.04420%0.197CC..Hα-helixtrans-70.4-38.5175.1179.7-123.8000113.4F1228 E1261 L1262 V1277 D1279 G1280 V1286 K1287F1228-F1283 HydrophobicContact CB-CE1 4.49Å; F1228-F1283 HydrophobicContact CB-CZ 3.69Å; F1228-F1283 HydrophobicContact CD1-CE2 4.45Å; F1228-F1283 HydrophobicContact CD1-CZ 4.3Å; F1228-F1283 HydrophobicContact CD2-CE2 4.4Å; F1228-F1283 AromaticContact CD2-CZ 3.77Å; F1228-F1283 HydrophobicContact CD2-CZ 3.77Å; F1228-F1283 HydrophobicContact CE2-CZ 4.48Å; F1228-F1283 HydrophobicContact CG-CE2 4.24Å; F1228-F1283 AromaticContact CG-CZ 3.67Å; F1228-F1283 HydrophobicContact CG-CZ 3.67Å; E1261-F1283 HydrophobicContact CB-CB 3.91Å; E1261-F1283 HydrophobicContact CB-CD1 3.6Å; E1261-F1283 HydrophobicContact CB-CD2 4.01Å; E1261-F1283 HydrophobicContact CB-CE1 4.01Å; E1261-F1283 HydrophobicContact CB-CE2 4.41Å; E1261-F1283 HydrophobicContact CB-CG 3.58Å; E1261-F1283 HydrophobicContact CB-CZ 4.4Å; E1261-F1283 HydrophobicContact CG-CB 4.16Å; E1261-F1283 HydrophobicContact CG-CD1 4.24Å; E1261-F1283 HydrophobicContact CG-CG 4.29Å; L1262-F1283 HydrophobicContact CB-CE2 4.24Å; V1277-F1283 HydrophobicContact CG1-CB 3.91Å; V1277-F1283 HydrophobicContact CG1-CD2 3.78Å; V1277-F1283 HydrophobicContact CG1-CG 4.22Å; D1279-F1283 WeakPolarHBondContact O-CB 3.31Å; D1279-F1283 PolarHBondContact O-N 3.09Å; G1280-F1283 CarbonylContact O-C 3.44Å; G1280-F1283 WeakPolarHBondContact O-CA 3.29Å; G1280-F1283 WeakPolarHBondContact O-CB 3.33Å; G1280-F1283 PolarHBondContact O-N 3.48Å; F1283-V1286 WeakPolarHBondContact O-CB 3.22Å; F1283-V1286 PolarHBondContact O-N 3.45Å; F1283-K1287 HydrophobicContact CD1-CD 4.34Å; F1283-K1287 HydrophobicContact CD2-CG 4.48Å; F1283-K1287 HydrophobicContact CE1-CD 3.76Å; F1283-K1287 VanDerWaalsContact CE1-CE 3.4Å; F1283-K1287 HydrophobicContact CE1-CG 4.41Å; F1283-K1287 HydrophobicContact CE2-CD 4.25Å; F1283-K1287 HydrophobicContact CE2-CG 4.06Å; F1283-K1287 HydrophobicContact CZ-CD 3.71Å; F1283-K1287 HydrophobicContact CZ-CG 4.03Å; F1283-K1287 PolarHBondContact O-N 3.37Å
1284E96Very high95.7Very high88 Ų8838 Ų3841%0.41119%0.193SC..Hα-helixtrans-62.7-42.9171.9-64.1-51.1143.200111.2G1280 P1281 V1286 K1287 A1288G1280-E1284 PolarHBondContact O-N 3.23Å; P1281-E1284 PolarHBondContact O-N 2.82Å; E1284-V1286 VanDerWaalsContact C-N 3.3Å; E1284-V1286 PolarHBondContact O-N 3.06Å; E1284-K1287 VanDerWaalsContact CD-CE 3.43Å; E1284-K1287 PolarHBondContact O-N 3.12Å; E1284-K1287 WeakPolarHBondContact OE1-CE 3.26Å; E1284-K1287 IonicContact OE1-NZ 2.77Å; E1284-K1287 PolarHBondContact OE1-NZ 2.84Å; E1284-K1287 WeakPolarHBondContact OE2-CE 3.5Å; E1284-K1287 IonicContact OE2-NZ 3Å; E1284-K1287 PolarHBondContact OE2-NZ 3.15Å; E1284-A1288 WeakPolarHBondContact O-CB 3.24Å; E1284-A1288 PolarHBondContact O-N 2.79Å
1285R95.5Very high95.7Very high71 Ų7142.7 Ų42.727%0.26821%0.21SC..Hα-helixtrans-55.7-44.4171.4-174.1-177.773.1140.2-1.1111.6D1143 P1281 T1282 A1288 V1289 H1312D1143-R1285 PolarHBondContact O-NH2 2.9Å; D1143-R1285 IonicContact OD2-CZ 2.74Å; D1143-R1285 IonicContact OD2-NH1 3.59Å; D1143-R1285 PolarHBondContact OD2-NH1 2.8Å; D1143-R1285 IonicContact OD2-NH2 2.83Å; D1143-R1285 PolarHBondContact OD2-NH2 3.32Å; P1281-R1285 PolarHBondContact O-N 3.39Å; T1282-R1285 PolarHBondContact O-N 2.86Å; R1285-A1288 PolarHBondContact O-N 3.27Å; R1285-V1289 WeakPolarHBondContact O-CG2 3.45Å; R1285-V1289 PolarHBondContact O-N 2.84Å; R1285-H1312 HydrophobicContact CG-CB 4.47Å
1286V95.9Very high95.9Very high4 Ų441.7 Ų41.72%0.02421%0.206CC..Hα-helixtrans-60-53.4176.5165.10000111I1144 I1152 T1282 F1283 E1284 A1288 V1289 F1290I1144-V1286 HydrophobicContact CB-CG2 4.11Å; I1144-V1286 HydrophobicContact CG2-CG2 3.8Å; I1152-V1286 HydrophobicContact CD1-CG1 3.8Å; I1152-V1286 HydrophobicContact CG1-CG1 4.35Å; T1282-V1286 WeakPolarHBondContact O-CG2 3.29Å; T1282-V1286 PolarHBondContact O-N 2.88Å; F1283-V1286 WeakPolarHBondContact O-CB 3.22Å; F1283-V1286 PolarHBondContact O-N 3.45Å; E1284-V1286 VanDerWaalsContact C-N 3.3Å; E1284-V1286 PolarHBondContact O-N 3.06Å; V1286-A1288 VanDerWaalsContact C-N 3.33Å; V1286-A1288 PolarHBondContact O-N 3.32Å; V1286-V1289 PolarHBondContact O-N 3.34Å; V1286-V1289 VanDerWaalsContact O-N 3.16Å; V1286-F1290 HydrophobicContact CG1-CD2 4.04Å; V1286-F1290 HydrophobicContact CG1-CE2 4.02Å; V1286-F1290 WeakPolarHBondContact O-CD2 3.35Å; V1286-F1290 PolarHBondContact O-N 3.33Å; V1286-F1290 VanDerWaalsContact O-N 3.08Å
1287K96.5Very high96.1Very high59 Ų5940.9 Ų40.926%0.25720%0.2SC..Hα-helixtrans-59.6-41.2179.1-73.8-175.2-70.11650112.5F1228 F1283 E1284 V1289 F1290 L1291F1228-K1287 HydrophobicContact CD2-CD 4.26Å; F1228-K1287 HydrophobicContact CE2-CD 4.34Å; F1228-K1287 HydrophobicContact CE2-CG 4.27Å; F1283-K1287 HydrophobicContact CD1-CD 4.34Å; F1283-K1287 HydrophobicContact CD2-CG 4.48Å; F1283-K1287 HydrophobicContact CE1-CD 3.76Å; F1283-K1287 VanDerWaalsContact CE1-CE 3.4Å; F1283-K1287 HydrophobicContact CE1-CG 4.41Å; F1283-K1287 HydrophobicContact CE2-CD 4.25Å; F1283-K1287 HydrophobicContact CE2-CG 4.06Å; F1283-K1287 HydrophobicContact CZ-CD 3.71Å; F1283-K1287 HydrophobicContact CZ-CG 4.03Å; F1283-K1287 PolarHBondContact O-N 3.37Å; E1284-K1287 VanDerWaalsContact CD-CE 3.43Å; E1284-K1287 PolarHBondContact O-N 3.12Å; E1284-K1287 WeakPolarHBondContact OE1-CE 3.26Å; E1284-K1287 IonicContact OE1-NZ 2.77Å; E1284-K1287 PolarHBondContact OE1-NZ 2.84Å; E1284-K1287 WeakPolarHBondContact OE2-CE 3.5Å; E1284-K1287 IonicContact OE2-NZ 3Å; E1284-K1287 PolarHBondContact OE2-NZ 3.15Å; K1287-V1289 VanDerWaalsContact C-N 3.35Å; K1287-V1289 PolarHBondContact O-N 2.83Å; K1287-F1290 WeakPolarHBondContact O-CB 3.44Å; K1287-F1290 PolarHBondContact O-N 2.84Å; K1287-L1291 PolarHBondContact O-N 3.45Å
1288A96.7Very high96.2Very high15 Ų1544 Ų4412%0.12422%0.217CC..Hα-helixtrans-61.5-41.1176.100000112.2E1284 R1285 V1286 L1291 I1292 H1312E1284-A1288 WeakPolarHBondContact O-CB 3.24Å; E1284-A1288 PolarHBondContact O-N 2.79Å; R1285-A1288 PolarHBondContact O-N 3.27Å; V1286-A1288 VanDerWaalsContact C-N 3.33Å; V1286-A1288 PolarHBondContact O-N 3.32Å; A1288-L1291 PolarHBondContact O-N 3.11Å; A1288-I1292 WeakPolarHBondContact O-CB 3.38Å; A1288-I1292 VanDerWaalsContact O-CG1 3.26Å; A1288-I1292 WeakPolarHBondContact O-CG1 3.36Å; A1288-I1292 PolarHBondContact O-N 3.22Å; A1288-H1312 HydrophobicContact CB-CB 4.35Å; A1288-H1312 WeakPolarHBondContact CB-ND1 3.49Å
1289V97.6Very high96.4Very high4 Ų445.7 Ų45.72%0.02423%0.229CC..Hα-helixtrans-64.2-39.8175.4166.70000111.8W1138 H1142 I1144 R1285 V1286 K1287 S1293 I1310W1138-V1289 HydrophobicContact CH2-CG1 4.16Å; W1138-V1289 HydrophobicContact CZ2-CG1 3.61Å; H1142-V1289 HydrophobicContact CB-CG1 3.75Å; H1142-V1289 HydrophobicContact CB-CG2 4.4Å; I1144-V1289 HydrophobicContact CD1-CB 4.34Å; I1144-V1289 HydrophobicContact CD1-CG1 3.68Å; I1144-V1289 HydrophobicContact CG1-CG1 4.49Å; R1285-V1289 WeakPolarHBondContact O-CG2 3.45Å; R1285-V1289 PolarHBondContact O-N 2.84Å; V1286-V1289 PolarHBondContact O-N 3.34Å; V1286-V1289 VanDerWaalsContact O-N 3.16Å; K1287-V1289 VanDerWaalsContact C-N 3.35Å; K1287-V1289 PolarHBondContact O-N 2.83Å; V1289-S1293 VanDerWaalsContact O-CB 3.22Å; V1289-S1293 WeakPolarHBondContact O-CB 3.48Å; V1289-S1293 PolarHBondContact O-N 3.31Å; V1289-S1293 VanDerWaalsContact O-N 3.08Å; V1289-S1293 PolarHBondContact O-OG 2.96Å; V1289-I1310 HydrophobicContact CG1-CD1 4.32Å; V1289-I1310 HydrophobicContact CG2-CB 4.42Å; V1289-I1310 HydrophobicContact CG2-CG2 4.09Å
1290F97.7Very high96.6Very high2 Ų246.7 Ų46.71%0.00924%0.237CC..Hα-helixtrans-61-53171.3-88.4-89.6000112W1138 I1144 I1152 M1160 F1219 F1220 Y1223 V1286 K1287 I1292 S1293 A1294W1138-F1290 AromaticContact CH2-CD1 3.87Å; W1138-F1290 HydrophobicContact CH2-CD1 3.87Å; W1138-F1290 AromaticContact CH2-CD2 3.81Å; W1138-F1290 HydrophobicContact CH2-CD2 3.81Å; W1138-F1290 AromaticContact CH2-CE1 3.85Å; W1138-F1290 HydrophobicContact CH2-CE1 3.85Å; W1138-F1290 AromaticContact CH2-CE2 3.77Å; W1138-F1290 HydrophobicContact CH2-CE2 3.77Å; W1138-F1290 AromaticContact CH2-CG 3.86Å; W1138-F1290 HydrophobicContact CH2-CG 3.86Å; W1138-F1290 AromaticContact CH2-CZ 3.79Å; W1138-F1290 HydrophobicContact CH2-CZ 3.79Å; W1138-F1290 HydrophobicContact CZ3-CE1 4.12Å; W1138-F1290 HydrophobicContact CZ3-CE2 4.14Å; W1138-F1290 AromaticContact CZ3-CZ 3.87Å; W1138-F1290 HydrophobicContact CZ3-CZ 3.87Å; I1144-F1290 HydrophobicContact CD1-CE2 4.44Å; I1152-F1290 HydrophobicContact CD1-CE2 4.04Å; M1160-F1290 HydrophobicContact CE-CE1 4.18Å; M1160-F1290 HydrophobicContact CE-CE2 4.21Å; M1160-F1290 HydrophobicContact CE-CZ 3.58Å; F1219-F1290 HydrophobicContact CD1-CE1 4.4Å; F1219-F1290 HydrophobicContact CE1-CD1 4.48Å; F1219-F1290 AromaticContact CE1-CE1 3.57Å; F1219-F1290 HydrophobicContact CE1-CE1 3.57Å; F1219-F1290 HydrophobicContact CE1-CZ 4.29Å; F1219-F1290 AromaticContact CZ-CE1 3.78Å; F1219-F1290 HydrophobicContact CZ-CE1 3.78Å; F1219-F1290 HydrophobicContact CZ-CZ 4.2Å; F1220-F1290 AromaticContact CD1-CD1 3.99Å; F1220-F1290 HydrophobicContact CD1-CD1 3.99Å; F1220-F1290 HydrophobicContact CD1-CE1 4.34Å; Y1223-F1290 VanDerWaalsContact CB-CD1 3.5Å; Y1223-F1290 HydrophobicContact CD2-CE1 4.07Å; Y1223-F1290 HydrophobicContact CG-CD1 4.49Å; Y1223-F1290 HydrophobicContact CG-CE1 4.11Å; V1286-F1290 HydrophobicContact CG1-CD2 4.04Å; V1286-F1290 HydrophobicContact CG1-CE2 4.02Å; V1286-F1290 WeakPolarHBondContact O-CD2 3.35Å; V1286-F1290 PolarHBondContact O-N 3.33Å; V1286-F1290 VanDerWaalsContact O-N 3.08Å; K1287-F1290 WeakPolarHBondContact O-CB 3.44Å; K1287-F1290 PolarHBondContact O-N 2.84Å; F1290-I1292 PolarHBondContact O-N 3.38Å; F1290-S1293 PolarHBondContact O-N 3.35Å; F1290-A1294 PolarHBondContact O-N 3.35Å
1291L97.7Very high96.8Very high67 Ų6747 Ų4735%0.35123%0.233SC..Hα-helixtrans-61.2-45.7-178.217662.5000112.8K1287 A1288 S1293 A1294 R1295K1287-L1291 PolarHBondContact O-N 3.45Å; A1288-L1291 PolarHBondContact O-N 3.11Å; L1291-S1293 VanDerWaalsContact C-N 3.32Å; L1291-S1293 PolarHBondContact O-N 2.99Å; L1291-A1294 WeakPolarHBondContact O-CB 3.4Å; L1291-A1294 PolarHBondContact O-N 2.76Å; L1291-R1295 WeakPolarHBondContact O-CG 3.46Å; L1291-R1295 PolarHBondContact O-N 2.82Å
1292I97.7Very high96.9Very high49 Ų4944.8 Ų44.825%0.25122%0.215SC..Hα-helixtrans-68.9-34.5-179.8-66.8166.8000110.5A1288 F1290 R1296 I1310A1288-I1292 WeakPolarHBondContact O-CB 3.38Å; A1288-I1292 VanDerWaalsContact O-CG1 3.26Å; A1288-I1292 WeakPolarHBondContact O-CG1 3.36Å; A1288-I1292 PolarHBondContact O-N 3.22Å; F1290-I1292 PolarHBondContact O-N 3.38Å; I1292-R1296 HydrophobicContact CG2-CG 4.42Å; I1292-R1296 WeakPolarHBondContact O-CB 3.44Å; I1292-R1296 WeakPolarHBondContact O-CG 3.47Å; I1292-R1296 PolarHBondContact O-N 2.87Å; I1292-I1310 HydrophobicContact CB-CD1 4.14Å; I1292-I1310 HydrophobicContact CB-CG2 4.19Å; I1292-I1310 HydrophobicContact CD1-CG2 3.63Å; I1292-I1310 HydrophobicContact CG2-CD1 3.84Å; I1292-I1310 HydrophobicContact CG2-CG1 3.9Å; I1292-I1310 HydrophobicContact CG2-CG2 4.05Å
1293S98.2Very high97.1Very high0 Ų044 Ų440%021%0.21CC..Hα-helixtrans-68.1-40.1173.4-58.60000112W1138 V1289 F1290 L1291 L1297W1138-S1293 WeakPolarHBondContact CZ2-OG 3.47Å; W1138-S1293 PolarHBondContact NE1-OG 3.07Å; V1289-S1293 VanDerWaalsContact O-CB 3.22Å; V1289-S1293 WeakPolarHBondContact O-CB 3.48Å; V1289-S1293 PolarHBondContact O-N 3.31Å; V1289-S1293 VanDerWaalsContact O-N 3.08Å; V1289-S1293 PolarHBondContact O-OG 2.96Å; F1290-S1293 PolarHBondContact O-N 3.35Å; L1291-S1293 VanDerWaalsContact C-N 3.32Å; L1291-S1293 PolarHBondContact O-N 2.99Å; S1293-L1297 VanDerWaalsContact O-CB 3.29Å; S1293-L1297 WeakPolarHBondContact O-CB 3.43Å; S1293-L1297 PolarHBondContact O-N 2.81Å
1294A98Very high97.2Very high4 Ų445.8 Ų45.83%0.03323%0.227CC..Hα-helixtrans-57.1-53.7173.100000111.1F1220 K1221 F1290 L1291 L1297 D1298F1220-A1294 HydrophobicContact CB-CB 3.71Å; K1221-A1294 HydrophobicContact CG-CB 4.18Å; F1290-A1294 PolarHBondContact O-N 3.35Å; L1291-A1294 WeakPolarHBondContact O-CB 3.4Å; L1291-A1294 PolarHBondContact O-N 2.76Å; A1294-L1297 PolarHBondContact O-N 2.84Å; A1294-D1298 WeakPolarHBondContact O-CB 3.49Å; A1294-D1298 PolarHBondContact O-N 3.41Å
1295R97.7Very high97.2Very high98 Ų9841.9 Ų41.937%0.3721%0.209SC..Hα-helixtrans-59.1-51.6179.6-70.3175.8174.6-160.8-2.9112.3L1291 L1297 D1298 H1299 V1372L1291-R1295 WeakPolarHBondContact O-CG 3.46Å; L1291-R1295 PolarHBondContact O-N 2.82Å; R1295-L1297 VanDerWaalsContact C-N 3.29Å; R1295-L1297 PolarHBondContact O-N 3.41Å; R1295-D1298 PolarHBondContact O-N 3.12Å; R1295-H1299 PolarHBondContact O-CD2 2.92Å; R1295-H1299 PolarHBondContact O-N 3.27Å; R1295-H1299 VanDerWaalsContact O-N 3.12Å; R1295-V1372 VanDerWaalsContact CZ-O 3.3Å; R1295-V1372 PolarHBondContact NH1-O 3.18Å; R1295-V1372 PolarHBondContact NH2-O 2.89Å
1296R97.4Very high97.3Very high74 Ų7438.5 Ų38.528%0.27920%0.196SC..Hα-helixtrans-57.1-43.5179.8-77.6-177-178.71775.4112.1I1292 T1300 T1305 R1308 P1309I1292-R1296 HydrophobicContact CG2-CG 4.42Å; I1292-R1296 WeakPolarHBondContact O-CB 3.44Å; I1292-R1296 WeakPolarHBondContact O-CG 3.47Å; I1292-R1296 PolarHBondContact O-N 2.87Å; R1296-T1300 WeakPolarHBondContact O-CB 3.21Å; R1296-T1300 WeakPolarHBondContact O-CG2 3.47Å; R1296-T1300 PolarHBondContact O-N 3.44Å; R1296-T1300 PolarHBondContact O-OG1 3.3Å; R1296-T1305 WeakPolarHBondContact CD-O 3.31Å; R1296-T1305 PolarHBondContact NH1-O 3.13Å; R1296-T1305 VanDerWaalsContact NH1-O 3.09Å; R1296-R1308 PolarHBondContact NH1-O 3.38Å; R1296-P1309 PolarHBondContact NH1-O 2.94Å; R1296-P1309 PolarHBondContact NH2-O 3.08Å
1297L97.4Very high97.4Very high0 Ų039.3 Ų39.30%020%0.199CC..Hα-helixtrans-71.2-39.2-178.9-165.960.7000111.9L971 L1216 L1217 F1220 S1293 A1294 R1295 H1299 T1300 L1301 I1306L971-L1297 HydrophobicContact CD1-CD1 3.8Å; L971-L1297 HydrophobicContact CD2-CD1 3.78Å; L971-L1297 HydrophobicContact CD2-CD2 4.2Å; L971-L1297 HydrophobicContact CD2-CG 4.06Å; L971-L1297 HydrophobicContact CG-CD1 4.47Å; L1216-L1297 HydrophobicContact CB-CD2 4.43Å; L1216-L1297 HydrophobicContact CD2-CD2 4.05Å; L1216-L1297 HydrophobicContact CG-CD2 3.89Å; L1217-L1297 HydrophobicContact CB-CD2 4.16Å; L1217-L1297 HydrophobicContact CD1-CB 4.15Å; L1217-L1297 HydrophobicContact CD1-CD2 4.47Å; L1217-L1297 HydrophobicContact CD1-CG 4.32Å; F1220-L1297 HydrophobicContact CD2-CD2 3.96Å; F1220-L1297 HydrophobicContact CE2-CD2 4.02Å; S1293-L1297 VanDerWaalsContact O-CB 3.29Å; S1293-L1297 WeakPolarHBondContact O-CB 3.43Å; S1293-L1297 PolarHBondContact O-N 2.81Å; A1294-L1297 PolarHBondContact O-N 2.84Å; R1295-L1297 VanDerWaalsContact C-N 3.29Å; R1295-L1297 PolarHBondContact O-N 3.41Å; L1297-H1299 PolarHBondContact O-N 3.4Å; L1297-T1300 PolarHBondContact O-N 2.95Å; L1297-L1301 WeakPolarHBondContact O-CA 3.25Å; L1297-L1301 PolarHBondContact O-N 3.48Å; L1297-I1306 HydrophobicContact CB-CG2 3.98Å; L1297-I1306 HydrophobicContact CD1-CG2 4.4Å
1298D97.1Very high97.4Very high67 Ų6742.7 Ų42.736%0.35821%0.211SC..Hα-helixtrans-62.5-41.1178.8-154.536.5000112.7L1217 K1221 A1294 R1295L1217-D1298 HydrophobicContact CD1-CB 3.85Å; L1217-D1298 WeakPolarHBondContact CD2-OD1 3.47Å; K1221-D1298 VanDerWaalsContact CE-CG 3.44Å; K1221-D1298 WeakPolarHBondContact CE-OD1 3.32Å; K1221-D1298 VanDerWaalsContact CE-OD2 3.24Å; K1221-D1298 WeakPolarHBondContact CE-OD2 3.33Å; K1221-D1298 IonicContact NZ-OD1 3.85Å; K1221-D1298 PolarHBondContact NZ-OD1 3.08Å; K1221-D1298 IonicContact NZ-OD2 2.63Å; K1221-D1298 PolarHBondContact NZ-OD2 3.02Å; A1294-D1298 WeakPolarHBondContact O-CB 3.49Å; A1294-D1298 PolarHBondContact O-N 3.41Å; R1295-D1298 PolarHBondContact O-N 3.12Å
1299H95.8Very high97.3Very high153 Ų15345.5 Ų45.571%0.70823%0.228SC*.Hα-helixtrans-76.8-22.5-179.1-65.1-52.7000114.3R1295 L1297R1295-H1299 PolarHBondContact O-CD2 2.92Å; R1295-H1299 PolarHBondContact O-N 3.27Å; R1295-H1299 VanDerWaalsContact O-N 3.12Å; L1297-H1299 PolarHBondContact O-N 3.4Å
1300T97.3Very high97Very high70 Ų7046.4 Ų46.443%0.42923%0.232SC..Hα-helixtrans-122.7-27.5-167.765.30000115R1296 L1297 D1302 T1305R1296-T1300 WeakPolarHBondContact O-CB 3.21Å; R1296-T1300 WeakPolarHBondContact O-CG2 3.47Å; R1296-T1300 PolarHBondContact O-N 3.44Å; R1296-T1300 PolarHBondContact O-OG1 3.3Å; L1297-T1300 PolarHBondContact O-N 2.95Å; T1300-D1302 PolarHBondContact O-N 3.33Å; T1300-D1302 PolarHBondContact OG1-N 2.86Å; T1300-T1305 HydrophobicContact CG2-CG2 3.98Å; T1300-T1305 VanDerWaalsContact OG1-CG2 3.29Å; T1300-T1305 WeakPolarHBondContact OG1-CG2 3.19Å; T1300-T1305 PolarHBondContact OG1-OG1 2.81Å
1301L97.6Very high96.2Very high33 Ų3354.1 Ų54.117%0.17327%0.268CS..  trans50.921.3-170.2-51.7179000113.6K967 Y968 L971 L1217 L1297K967-L1301 HydrophobicContact CB-CD1 4.15Å; K967-L1301 HydrophobicContact CD-CD1 4.04Å; K967-L1301 HydrophobicContact CG-CD1 3.97Å; K967-L1301 WeakPolarHBondContact O-CD1 3.43Å; Y968-L1301 HydrophobicContact CD1-CD1 4.33Å; Y968-L1301 HydrophobicContact CD1-CD2 3.74Å; Y968-L1301 HydrophobicContact CE1-CD1 4.45Å; Y968-L1301 HydrophobicContact CE1-CD2 3.66Å; L971-L1301 WeakPolarHBondContact CB-O 3.39Å; L1217-L1301 HydrophobicContact CD2-CD2 4.46Å; L1297-L1301 WeakPolarHBondContact O-CA 3.25Å; L1297-L1301 PolarHBondContact O-N 3.48Å
1302D97.2Very high95.1Very high48 Ų4854 Ų5426%0.25727%0.265SS..  trans-103.9118.9177.3163.533.4000110T1300 A1304 T1305 R1308T1300-D1302 PolarHBondContact O-N 3.33Å; T1300-D1302 PolarHBondContact OG1-N 2.86Å; D1302-A1304 PolarHBondContact O-N 3.36Å; D1302-A1304 VanDerWaalsContact OD1-CB 3.31Å; D1302-A1304 WeakPolarHBondContact OD1-CB 3.29Å; D1302-A1304 PolarHBondContact OD1-N 3.3Å; D1302-T1305 HydrophobicContact CB-CG2 3.96Å; D1302-T1305 PolarHBondContact O-N 2.68Å; D1302-T1305 VanDerWaalsContact O-N 3.13Å; D1302-T1305 PolarHBondContact O-OG1 3.25Å; D1302-T1305 VanDerWaalsContact OD2-CG2 3.31Å; D1302-T1305 WeakPolarHBondContact OD2-CG2 3.44Å; D1302-R1308 IonicContact OD2-NH2 3.08Å; D1302-R1308 PolarHBondContact OD2-NH2 3Å; D1302-R1308 VanDerWaalsContact OD2-NH2 3.08Å
1303L98Very high93.6Very high7 Ų756.9 Ų56.94%0.03729%0.285CS..G310 helixtrans-58.6-31.7177.6-171.963000112.2L971 E974 I975 R978 I1134 L1216 T1305 I1306 F1307L971-L1303 HydrophobicContact CD1-CB 3.82Å; L971-L1303 HydrophobicContact CD1-CD1 4.1Å; E974-L1303 VanDerWaalsContact C-CD2 3.5Å; E974-L1303 HydrophobicContact CB-CB 4.07Å; E974-L1303 HydrophobicContact CB-CD2 3.85Å; E974-L1303 WeakPolarHBondContact O-CD2 3.48Å; I975-L1303 HydrophobicContact CG1-CD1 3.95Å; I975-L1303 HydrophobicContact CG1-CD2 4.12Å; R978-L1303 HydrophobicContact CB-CD2 4.37Å; I1134-L1303 HydrophobicContact CD1-CD1 4.2Å; I1134-L1303 HydrophobicContact CD1-CD2 4.06Å; I1134-L1303 HydrophobicContact CG1-CD1 4.03Å; L1216-L1303 HydrophobicContact CD2-CD1 3.75Å; L1303-T1305 PolarHBondContact O-N 2.78Å; L1303-I1306 HydrophobicContact CD1-CD1 3.88Å; L1303-I1306 HydrophobicContact CD1-CG1 4.24Å; L1303-I1306 VanDerWaalsContact O-CG1 3.26Å; L1303-I1306 WeakPolarHBondContact O-CG1 3.44Å; L1303-I1306 PolarHBondContact O-N 3.15Å; L1303-F1307 HydrophobicContact CD1-CE2 4.18Å; L1303-F1307 HydrophobicContact CG-CD2 4.46Å; L1303-F1307 HydrophobicContact CG-CE2 4.27Å; L1303-F1307 WeakPolarHBondContact O-CD2 3.49Å
1304A97.6Very high91.8Very high48 Ų4860.5 Ų60.540%0.39731%0.308SS..G310 helixtrans-66.3-22.1-179.500000112.7D1302 I1306 F1307 R1308D1302-A1304 PolarHBondContact O-N 3.36Å; D1302-A1304 VanDerWaalsContact OD1-CB 3.31Å; D1302-A1304 WeakPolarHBondContact OD1-CB 3.29Å; D1302-A1304 PolarHBondContact OD1-N 3.3Å; A1304-I1306 PolarHBondContact O-N 3.45Å; A1304-F1307 CarbonylContact O-C 3.56Å; A1304-F1307 PolarHBondContact O-N 2.93Å; A1304-F1307 VanDerWaalsContact O-N 3.12Å; A1304-R1308 WeakPolarHBondContact O-CG 3.31Å
1305T97Very high89.6Confident7 Ų767.2 Ų67.24%0.04334%0.339CS..G310 helixtrans-67.7-33.9-179.664.80000114.3R1296 T1300 D1302 L1303 F1307 R1308R1296-T1305 WeakPolarHBondContact CD-O 3.31Å; R1296-T1305 PolarHBondContact NH1-O 3.13Å; R1296-T1305 VanDerWaalsContact NH1-O 3.09Å; T1300-T1305 HydrophobicContact CG2-CG2 3.98Å; T1300-T1305 VanDerWaalsContact OG1-CG2 3.29Å; T1300-T1305 WeakPolarHBondContact OG1-CG2 3.19Å; T1300-T1305 PolarHBondContact OG1-OG1 2.81Å; D1302-T1305 HydrophobicContact CB-CG2 3.96Å; D1302-T1305 PolarHBondContact O-N 2.68Å; D1302-T1305 VanDerWaalsContact O-N 3.13Å; D1302-T1305 PolarHBondContact O-OG1 3.25Å; D1302-T1305 VanDerWaalsContact OD2-CG2 3.31Å; D1302-T1305 WeakPolarHBondContact OD2-CG2 3.44Å; L1303-T1305 PolarHBondContact O-N 2.78Å; T1305-F1307 PolarHBondContact O-N 3.24Å; T1305-R1308 PolarHBondContact O-N 3.37Å
1306I97.3Very high87Confident0 Ų070.2 Ų70.20%036%0.357CS..G310 helixtrans-79.5-5.7174.568.4167.8000112.4W1138 H1142 L1216 F1220 L1297 L1303 A1304W1138-I1306 HydrophobicContact CG-CD1 4.41Å; H1142-I1306 PolarHBondContact NE2-O 3.36Å; L1216-I1306 HydrophobicContact CD2-CD1 4.04Å; F1220-I1306 HydrophobicContact CE2-CD1 3.66Å; F1220-I1306 HydrophobicContact CE2-CG2 4.45Å; F1220-I1306 HydrophobicContact CZ-CD1 3.87Å; L1297-I1306 HydrophobicContact CB-CG2 3.98Å; L1297-I1306 HydrophobicContact CD1-CG2 4.4Å; L1303-I1306 HydrophobicContact CD1-CD1 3.88Å; L1303-I1306 HydrophobicContact CD1-CG1 4.24Å; L1303-I1306 VanDerWaalsContact O-CG1 3.26Å; L1303-I1306 WeakPolarHBondContact O-CG1 3.44Å; L1303-I1306 PolarHBondContact O-N 3.15Å; A1304-I1306 PolarHBondContact O-N 3.45Å
1307F97.6Very high84.2Confident20 Ų2072.7 Ų72.79%0.08837%0.37CS..G310 helixtrans-110.836.1170.8-69.2-85.9000112R978 I1134 L1137 W1138 Y1141 L1303 A1304 T1305R978-F1307 VanDerWaalsContact NH2-CD1 3.29Å; I1134-F1307 HydrophobicContact CD1-CE2 3.84Å; I1134-F1307 HydrophobicContact CD1-CZ 3.84Å; I1134-F1307 HydrophobicContact CG1-CE2 4.49Å; L1137-F1307 HydrophobicContact CB-CE1 4.21Å; L1137-F1307 HydrophobicContact CB-CZ 4.13Å; W1138-F1307 HydrophobicContact CB-CE1 4.22Å; W1138-F1307 HydrophobicContact CB-CE2 4.49Å; W1138-F1307 HydrophobicContact CB-CZ 3.86Å; Y1141-F1307 HydrophobicContact CD1-CD1 4.31Å; Y1141-F1307 AromaticContact CD2-CD1 3.99Å; Y1141-F1307 HydrophobicContact CD2-CD1 3.99Å; Y1141-F1307 VanDerWaalsContact CE1-C 3.5Å; Y1141-F1307 AromaticContact CG-CD1 3.75Å; Y1141-F1307 HydrophobicContact CG-CD1 3.75Å; Y1141-F1307 HydrophobicContact CG-CE1 4.49Å; Y1141-F1307 VanDerWaalsContact CZ-C 3.45Å; Y1141-F1307 PolarHBondContact OH-O 2.84Å; Y1141-F1307 VanDerWaalsContact OH-O 3.06Å; L1303-F1307 HydrophobicContact CD1-CE2 4.18Å; L1303-F1307 HydrophobicContact CG-CD2 4.46Å; L1303-F1307 HydrophobicContact CG-CE2 4.27Å; L1303-F1307 WeakPolarHBondContact O-CD2 3.49Å; A1304-F1307 CarbonylContact O-C 3.56Å; A1304-F1307 PolarHBondContact O-N 2.93Å; A1304-F1307 VanDerWaalsContact O-N 3.12Å; T1305-F1307 PolarHBondContact O-N 3.24Å
1308R95.8Very high81.4Confident130 Ų13076.5 Ų76.549%0.49140%0.395SS..SBendtrans-116.3148.8165.2-59174.6-158.4178.87.5108.5Y1141 H1142 R1296 D1302 A1304 T1305Y1141-R1308 WeakPolarHBondContact OH-CA 3.2Å; H1142-R1308 PolarHBondContact CE1-O 3.19Å; R1296-R1308 PolarHBondContact NH1-O 3.38Å; D1302-R1308 IonicContact OD2-NH2 3.08Å; D1302-R1308 PolarHBondContact OD2-NH2 3Å; D1302-R1308 VanDerWaalsContact OD2-NH2 3.08Å; A1304-R1308 WeakPolarHBondContact O-CG 3.31Å; T1305-R1308 PolarHBondContact O-N 3.37Å
1309P94.6Very high78.7Confident74 Ų7480.4 Ų80.448%0.48141%0.411SS..  trans-54.7145.4-173.7-27.236.5000113.5Y1141 R1296Y1141-P1309 VanDerWaalsContact OH-CD 3.28Å; Y1141-P1309 WeakPolarHBondContact OH-CD 3.36Å; R1296-P1309 PolarHBondContact NH1-O 2.94Å; R1296-P1309 PolarHBondContact NH2-O 3.08Å
1310I92.7Very high76.1Confident23 Ų2378.7 Ų78.712%0.11841%0.406CS..  trans-115.5106.7173.6-67.6173.9000107.8H1142 V1289 I1292 H1312H1142-I1310 VanDerWaalsContact CE1-CD1 3.43Å; H1142-I1310 WeakPolarHBondContact CE1-CD1 3.35Å; V1289-I1310 HydrophobicContact CG1-CD1 4.32Å; V1289-I1310 HydrophobicContact CG2-CB 4.42Å; V1289-I1310 HydrophobicContact CG2-CG2 4.09Å; I1292-I1310 HydrophobicContact CB-CD1 4.14Å; I1292-I1310 HydrophobicContact CB-CG2 4.19Å; I1292-I1310 HydrophobicContact CD1-CG2 3.63Å; I1292-I1310 HydrophobicContact CG2-CD1 3.84Å; I1292-I1310 HydrophobicContact CG2-CG1 3.9Å; I1292-I1310 HydrophobicContact CG2-CG2 4.05Å; I1310-H1312 PolarHBondContact O-N 2.99Å
1311H81.1Confident73.5Confident165 Ų16581.8 Ų81.876%0.76442%0.416SS*.  trans-86.191.4174.8-62.7-76.1000109.2V1313H1311-V1313 PolarHBondContact O-N 2.62Å
1312H74.3Confident71Confident63 Ų6386 Ų8629%0.29244%0.435SS..  trans-75.2104.9166.5179.355.7000108.9R1285 A1288 I1310 P1314R1285-H1312 HydrophobicContact CG-CB 4.47Å; A1288-H1312 HydrophobicContact CB-CB 4.35Å; A1288-H1312 WeakPolarHBondContact CB-ND1 3.49Å; I1310-H1312 PolarHBondContact O-N 2.99Å; H1312-P1314 WeakPolarHBondContact O-CD 3.48Å
1313V65.3Low68.5Low110 Ų11090.2 Ų90.267%0.66745%0.453SS*.  trans-72.8123.2160.8-178.90000106.6H1311 E1315H1311-V1313 PolarHBondContact O-N 2.62Å; V1313-E1315 PolarHBondContact O-N 2.8Å; V1313-E1315 VanDerWaalsContact O-N 3.12Å
1314P60.1Low66.2Low76 Ų7695.9 Ų95.949%0.49448%0.479SS..  trans-67.6112.7172.4-16.530.9000108.5H1312 H1316H1312-P1314 WeakPolarHBondContact O-CD 3.48Å; P1314-H1316 PolarHBondContact O-N 2.92Å; P1314-H1316 PolarHBondContact O-ND1 3.27Å
1315E51.8Low64Low145 Ų14598.3 Ų98.368%0.67848%0.482SS*.  trans-50.3102.7169.7-86.4-63.7132.700109V1313 F1317V1313-E1315 PolarHBondContact O-N 2.8Å; V1313-E1315 VanDerWaalsContact O-N 3.12Å; E1315-F1317 HydrophobicContact CB-CD2 3.86Å; E1315-F1317 HydrophobicContact CB-CE2 3.75Å; E1315-F1317 HydrophobicContact CG-CE2 4.36Å; E1315-F1317 PolarHBondContact O-N 2.84Å
1316H43Very low61.8Low161 Ų161102.9 Ų102.975%0.74550%0.503SS*.  trans-75112.3173.7-88.158.8000107P1314 P1318P1314-H1316 PolarHBondContact O-N 2.92Å; P1314-H1316 PolarHBondContact O-ND1 3.27Å; H1316-P1318 WeakPolarHBondContact O-CD 3.34Å
1317F40.4Very low59.6Low126 Ų126109.4 Ų109.455%0.55353%0.532SS*.  trans-97.453.6176.7-91.7-91.6000114.7E1315 Q1319 L1320E1315-F1317 HydrophobicContact CB-CD2 3.86Å; E1315-F1317 HydrophobicContact CB-CE2 3.75Å; E1315-F1317 HydrophobicContact CG-CE2 4.36Å; E1315-F1317 PolarHBondContact O-N 2.84Å; F1317-Q1319 PolarHBondContact O-N 3.24Å; F1317-Q1319 VanDerWaalsContact O-N 3.17Å; F1317-L1320 HydrophobicContact CD1-CB 4.05Å; F1317-L1320 HydrophobicContact CD1-CD1 4.14Å; F1317-L1320 HydrophobicContact CE1-CB 4.26Å; F1317-L1320 HydrophobicContact CE1-CD1 3.97Å; F1317-L1320 HydrophobicContact CE1-CD2 4.27Å; F1317-L1320 HydrophobicContact CE1-CG 4.39Å
1318P38.3Very low57.5Low81 Ų81114 Ų11453%0.52655%0.553SS.*THydrogen-bonded Turntrans-60.5-21171.8-22.931.5000114.7H1316 Q1322H1316-P1318 WeakPolarHBondContact O-CD 3.34Å; P1318-Q1322 WeakPolarHBondContact O-CG 3.38Å
1319Q40.6Very low55.4Low149 Ų149113.8 Ų113.870%0.69656%0.558SS**THydrogen-bonded Turntrans-104-50.1-162.2-65.2-173.8-7.100114.8F1317 Q1321 Q1322 H1323F1317-Q1319 PolarHBondContact O-N 3.24Å; F1317-Q1319 VanDerWaalsContact O-N 3.17Å; Q1319-Q1321 VanDerWaalsContact C-N 3.31Å; Q1319-Q1321 PolarHBondContact O-N 3.3Å; Q1319-Q1322 PolarHBondContact O-N 3.44Å; Q1319-Q1322 VanDerWaalsContact O-N 3.13Å; Q1319-H1323 PolarHBondContact O-N 3.18Å
1320L41.4Very low53.3Low116 Ų116117.3 Ų117.361%0.60757%0.568SS**Hα-helixtrans-66.3-31-179.3-80.381.5000113F1317 Q1322 H1323 Q1324F1317-L1320 HydrophobicContact CD1-CB 4.05Å; F1317-L1320 HydrophobicContact CD1-CD1 4.14Å; F1317-L1320 HydrophobicContact CE1-CB 4.26Å; F1317-L1320 HydrophobicContact CE1-CD1 3.97Å; F1317-L1320 HydrophobicContact CE1-CD2 4.27Å; F1317-L1320 HydrophobicContact CE1-CG 4.39Å; L1320-Q1322 VanDerWaalsContact C-N 3.33Å; L1320-H1323 PolarHBondContact O-N 3.06Å; L1320-Q1324 WeakPolarHBondContact O-CB 3.4Å; L1320-Q1324 PolarHBondContact O-N 3.22Å
1321Q41.5Very low51.1Low135 Ų135122.2 Ų122.263%0.63159%0.594SS**Hα-helixtrans-73.1-25.9175.8-168.6156.175.600112.7Q1319 Q1325Q1319-Q1321 VanDerWaalsContact C-N 3.31Å; Q1319-Q1321 PolarHBondContact O-N 3.3Å; Q1321-Q1325 WeakPolarHBondContact O-CB 3.45Å; Q1321-Q1325 VanDerWaalsContact O-CG 3.29Å; Q1321-Q1325 WeakPolarHBondContact O-CG 3.43Å; Q1321-Q1325 PolarHBondContact O-N 2.71Å
1322Q44.3Very low49.2Very low123 Ų123122.1 Ų122.158%0.57559%0.593SS**Hα-helixtrans-72.8-44.7167.1-73.3-173.90.600111.4P1318 Q1319 L1320 Q1324 Q1325 Q1326P1318-Q1322 WeakPolarHBondContact O-CG 3.38Å; Q1319-Q1322 PolarHBondContact O-N 3.44Å; Q1319-Q1322 VanDerWaalsContact O-N 3.13Å; L1320-Q1322 VanDerWaalsContact C-N 3.33Å; Q1322-Q1324 VanDerWaalsContact C-N 3.35Å; Q1322-Q1324 PolarHBondContact O-N 3.09Å; Q1322-Q1325 PolarHBondContact O-N 2.66Å; Q1322-Q1326 WeakPolarHBondContact O-CB 3.25Å; Q1322-Q1326 WeakPolarHBondContact O-CG 3.05Å; Q1322-Q1326 PolarHBondContact O-N 3.16Å
1323H46.2Very low47.7Very low135 Ų135126.5 Ų126.563%0.62561%0.614SS**Hα-helixtrans-60.2-42.5177.4-114.157000112.3Q1319 L1320 Q1326 F1327Q1319-H1323 PolarHBondContact O-N 3.18Å; L1320-H1323 PolarHBondContact O-N 3.06Å; H1323-Q1326 PolarHBondContact O-N 2.96Å; H1323-F1327 WeakPolarHBondContact O-CB 3.17Å; H1323-F1327 PolarHBondContact O-N 3.33Å
1324Q49.9Very low46.6Very low127 Ų127126.9 Ų126.959%0.59362%0.618SS**Hα-helixtrans-67.8-40.5178.4-166.815532.900112L1320 Q1322 Q1326 F1327 E1328L1320-Q1324 WeakPolarHBondContact O-CB 3.4Å; L1320-Q1324 PolarHBondContact O-N 3.22Å; Q1322-Q1324 VanDerWaalsContact C-N 3.35Å; Q1322-Q1324 PolarHBondContact O-N 3.09Å; Q1324-Q1326 VanDerWaalsContact C-N 3.34Å; Q1324-Q1326 PolarHBondContact O-N 3.46Å; Q1324-F1327 PolarHBondContact O-N 3.24Å; Q1324-E1328 WeakPolarHBondContact O-CG 3.5Å; Q1324-E1328 PolarHBondContact O-N 3.22Å
1325Q50.8Low45.5Very low99 Ų99131.4 Ų131.446%0.46364%0.636SS.*Hα-helixtrans-66.1-34.1173.1-73.717813.600112.8Q1321 Q1322 Q1329Q1321-Q1325 WeakPolarHBondContact O-CB 3.45Å; Q1321-Q1325 VanDerWaalsContact O-CG 3.29Å; Q1321-Q1325 WeakPolarHBondContact O-CG 3.43Å; Q1321-Q1325 PolarHBondContact O-N 2.71Å; Q1322-Q1325 PolarHBondContact O-N 2.66Å; Q1325-Q1329 WeakPolarHBondContact O-CB 3.31Å; Q1325-Q1329 WeakPolarHBondContact O-CG 3.36Å; Q1325-Q1329 PolarHBondContact O-N 3.07Å; Q1325-Q1329 PolarHBondContact O-NE2 3Å
1326Q51.4Low44.8Very low102 Ų102129.6 Ų129.648%0.47764%0.64SS.*Hα-helixtrans-67.6-39.3173.2-75.6176.5-40.200111.7Q1322 H1323 Q1324 Q1329 Q1330Q1322-Q1326 WeakPolarHBondContact O-CB 3.25Å; Q1322-Q1326 WeakPolarHBondContact O-CG 3.05Å; Q1322-Q1326 PolarHBondContact O-N 3.16Å; H1323-Q1326 PolarHBondContact O-N 2.96Å; Q1324-Q1326 VanDerWaalsContact C-N 3.34Å; Q1324-Q1326 PolarHBondContact O-N 3.46Å; Q1326-Q1329 PolarHBondContact O-N 3.3Å; Q1326-Q1330 WeakPolarHBondContact O-CG 3.45Å; Q1326-Q1330 PolarHBondContact O-N 2.84Å
1327F49.5Very low44.6Very low137 Ų137125.2 Ų125.260%0.60164%0.639SS**Hα-helixtrans-67.3-43.6176.7-143.6-95.9000111.9H1323 Q1324 Q1329 Q1330 L1331H1323-F1327 WeakPolarHBondContact O-CB 3.17Å; H1323-F1327 PolarHBondContact O-N 3.33Å; Q1324-F1327 PolarHBondContact O-N 3.24Å; F1327-Q1329 VanDerWaalsContact C-N 3.33Å; F1327-Q1329 PolarHBondContact O-N 3.49Å; F1327-Q1330 PolarHBondContact O-N 3.39Å; F1327-L1331 HydrophobicContact CD1-CD1 3.89Å; F1327-L1331 HydrophobicContact CE1-CD1 4.18Å; F1327-L1331 WeakPolarHBondContact O-CG 3.17Å; F1327-L1331 PolarHBondContact O-N 3.45Å; F1327-L1331 VanDerWaalsContact O-N 3.15Å
1328E54.7Low44.5Very low116 Ų116127.4 Ų127.454%0.54265%0.65SS.*Hα-helixtrans-65.1-33.7175.1-71.8-179.8149.800112.6Q1324Q1324-E1328 WeakPolarHBondContact O-CG 3.5Å; Q1324-E1328 PolarHBondContact O-N 3.22Å
1329Q51.7Low44.5Very low126 Ų126130.6 Ų130.659%0.58966%0.658SS**Hα-helixtrans-72.6-35.4175.1-74.9170.937.500112.9Q1325 Q1326 F1327 L1331 H1332Q1325-Q1329 WeakPolarHBondContact O-CB 3.31Å; Q1325-Q1329 WeakPolarHBondContact O-CG 3.36Å; Q1325-Q1329 PolarHBondContact O-N 3.07Å; Q1325-Q1329 PolarHBondContact O-NE2 3Å; Q1326-Q1329 PolarHBondContact O-N 3.3Å; F1327-Q1329 VanDerWaalsContact C-N 3.33Å; F1327-Q1329 PolarHBondContact O-N 3.49Å; Q1329-L1331 VanDerWaalsContact C-N 3.33Å; Q1329-H1332 PolarHBondContact O-N 3.02Å
1330Q50.7Low44.3Very low149 Ų149134.3 Ų134.370%0.69667%0.666SS**Hα-helixtrans-71.2-26.8176.1-73.4177.414.300113Q1326 F1327 H1332Q1326-Q1330 WeakPolarHBondContact O-CG 3.45Å; Q1326-Q1330 PolarHBondContact O-N 2.84Å; F1327-Q1330 PolarHBondContact O-N 3.39Å; Q1330-H1332 VanDerWaalsContact C-N 3.28Å; Q1330-H1332 PolarHBondContact O-N 2.76Å
1331L45.9Very low44.1Very low125 Ų125134.5 Ų134.565%0.65468%0.677SS**THydrogen-bonded Turntrans-77.2-6.8175.6-76.4165000114.5F1327 Q1329F1327-L1331 HydrophobicContact CD1-CD1 3.89Å; F1327-L1331 HydrophobicContact CE1-CD1 4.18Å; F1327-L1331 WeakPolarHBondContact O-CG 3.17Å; F1327-L1331 PolarHBondContact O-N 3.45Å; F1327-L1331 VanDerWaalsContact O-N 3.15Å; Q1329-L1331 VanDerWaalsContact C-N 3.33Å
1332H42.4Very low44.1Very low163 Ų163133.2 Ų133.276%0.75569%0.69SS**THydrogen-bonded Turntrans-121.242.9-175.4-88.2-52.4000114.3Q1329 Q1330Q1329-H1332 PolarHBondContact O-N 3.02Å; Q1330-H1332 VanDerWaalsContact C-N 3.28Å; Q1330-H1332 PolarHBondContact O-N 2.76Å
1333H42.3Very low43.8Very low156 Ų156131 Ų13172%0.72270%0.699SS**  trans-104.1114.8167.4-8431.4000111.8I1335H1333-I1335 PolarHBondContact O-N 2.63Å
1334P40.8Very low43.3Very low117 Ų117128.8 Ų128.876%0.7671%0.714SS**  trans-78.6105.3178.630.5-32.7000111.4S1336P1334-S1336 PolarHBondContact O-N 3.01Å
1335I37.6Very low42.8Very low171 Ų171126.6 Ų126.688%0.87773%0.725SS**  trans-68.6119.3174.9-60173.9000109.3H1333H1333-I1335 PolarHBondContact O-N 2.63Å
1336S38.5Very low42.2Very low107 Ų107125 Ų12575%0.74874%0.736SS**  trans-151.5119.917654.90000112.4P1334P1334-S1336 PolarHBondContact O-N 3.01Å
1337G38Very low41.7Very low70 Ų70128.5 Ų128.572%0.72276%0.757SS**  trans86.2145.9-178.900000114.2
1338Q38.4Very low41.2Very low171 Ų171125.9 Ų125.980%0.79977%0.769SS**  cis-146.9144.91-75.6-170-7.500113
1339Q38.8Very low40.6Very low149 Ų149124.7 Ų124.770%0.69678%0.779SS**  trans56.3121.1143.9-62.7-179.517.800122.7
1340R35.5Very low40.1Very low226 Ų226126.3 Ų126.385%0.85379%0.792SS**  49.9131.6126.9-53.5177.9175.8-175.4-2.3118.4
1341S37.8Very low40Very low120 Ų120124.4 Ų124.484%0.83979%0.792SS**  -161.4175.852.2-59.20000114.1
1342A40.9Very low39.7Very low109 Ų109125.2 Ų125.290%0.90180%0.802SS**  trans-46.9162.5-177.800000118.4
1343G37.4Very low39.5Very low75 Ų75123.3 Ų123.377%0.77380%0.804SS**  cis157170.7-5.600000114.8
1344G37.4Very low39.4Very low90 Ų90121 Ų12193%0.92881%0.806SS**  trans83148.5176.300000115.7
1345G38.7Very low39.3Very low80 Ų80121.9 Ų121.983%0.82581%0.809SS**  cis170.7152-800000112.8
1346G38.3Very low39.3Very low67 Ų67122.5 Ų122.569%0.69181%0.813SS**  trans83.7123.5-178.900000113.6
1347D40.3Very low39.3Very low175 Ų175123.5 Ų123.594%0.93681%0.81SS**  cis83.7117.146.8-67.5-43.6000114.2
1348G39.3Very low39.3Very low82 Ų82125.5 Ų125.585%0.84581%0.81SS**  trans172.991.3-178.400000114.7
1349A41Very low39.3Very low91 Ų91123.7 Ų123.775%0.75281%0.806SS**  trans-73.5143.8-162.900000119.3
1350N43.3Very low39.3Very low159 Ų159120.7 Ų120.785%0.8581%0.807SS**  trans74.9160.1137-82-13.6000123
1351P47.7Very low39.4Very low110 Ų110114.5 Ų114.571%0.71480%0.804SS**  trans-135.2170.2-14844-27.6000117.8
1352V39.4Very low39.5Very low141 Ų141112.8 Ų112.886%0.85579%0.792SS**  trans-142.4141.1155.5-176.60000109
1353P38.3Very low39.5Very low123 Ų123112 Ų11280%0.79978%0.776SS**  trans-108.8156.9-173.539.4-33.4000115.4
1354S39.9Very low39.5Very low108 Ų108117.2 Ų117.276%0.75578%0.778SS**  trans-153.9127.2164.754.40000113.5
1355T38.1Very low39.7Very low135 Ų135116.3 Ų116.383%0.82876%0.761SS**  trans27119.3152.451.70000121
1356L37.5Very low39.7Very low184 Ų184119.4 Ų119.496%0.96375%0.754SS**  trans-129.7148.2148.7-83.7174.5000110.1
1357N39.8Very low39.7Very low128 Ų128120.5 Ų120.568%0.68475%0.748SS**  trans-105.2141-165.2-161.449.5000112.1D1359N1357-D1359 PolarHBondContact ND2-OD2 3.13Å; N1357-D1359 PolarHBondContact O-N 3.08Å
1358P38.2Very low39.6Very low112 Ų112117 Ų11773%0.72773%0.733SS**  trans-94.640.8-170.738.6-36.4000115.3
1359D37.7Very low39.6Very low134 Ų134116.2 Ų116.272%0.71772%0.718SS**  trans-103.767.6-177-75.5-53.8000113.2N1357N1357-D1359 PolarHBondContact ND2-OD2 3.13Å; N1357-D1359 PolarHBondContact O-N 3.08Å
1360A38.6Very low39.7Very low86 Ų86115.3 Ų115.371%0.71171%0.711SS**  trans-144.34.8177.800000115.3
1361A38.2Very low39.5Very low95 Ų95116 Ų11679%0.78571%0.709SS**SBendtrans-99.1-11.8-17100000115.2
1362S39.5Very low39.4Very low85 Ų85115 Ų11559%0.59470%0.701SS**SBendtrans-82.6-36.4-175.347.10000113.9F1364 A1365S1362-F1364 VanDerWaalsContact C-N 3.28Å; S1362-F1364 PolarHBondContact O-N 3.27Å; S1362-F1364 VanDerWaalsContact O-N 3.14Å; S1362-A1365 PolarHBondContact O-N 2.92Å
1363T41.2Very low39.3Very low92 Ų92115.1 Ų115.156%0.56472%0.716SS**Hα-helixtrans-66.2-23-163.6-36.20000114.7T1367T1363-T1367 PolarHBondContact O-OG1 3.05Å
1364F38Very low39.4Very low185 Ų185114.7 Ų114.781%0.81171%0.712SS**Hα-helixtrans-79.5-13.4-179-106.2-87.8000114.6S1362S1362-F1364 VanDerWaalsContact C-N 3.28Å; S1362-F1364 PolarHBondContact O-N 3.27Å; S1362-F1364 VanDerWaalsContact O-N 3.14Å
1365A40.5Very low39.3Very low70 Ų70115.1 Ų115.158%0.57971%0.709SS**Hα-helixtrans-84.6-28.4-179.600000113.2S1362 T1368S1362-A1365 PolarHBondContact O-N 2.92Å; A1365-T1368 PolarHBondContact O-OG1 3.26Å
1366E39.8Very low39.4Very low145 Ų145113.9 Ų113.968%0.67870%0.703SS**Hα-helixtrans-78.7-31.4-177.7-65.3-176.6115.200112.4T1368 A1369 A1370E1366-T1368 VanDerWaalsContact C-N 3.33Å; E1366-T1368 PolarHBondContact O-N 3.41Å; E1366-A1369 WeakPolarHBondContact O-CB 3.29Å; E1366-A1369 PolarHBondContact O-N 2.76Å; E1366-A1369 VanDerWaalsContact O-N 3.12Å; E1366-A1370 PolarHBondContact O-N 3.01Å; E1366-A1370 VanDerWaalsContact O-N 3.11Å
1367T37.8Very low39.5Very low91 Ų91109.8 Ų109.856%0.55869%0.687SS**Hα-helixtrans-65.7-33.8-176.8-22.10000112.8T1363T1363-T1367 PolarHBondContact O-OG1 3.05Å
1368T38.2Very low39.5Very low102 Ų102108.7 Ų108.763%0.62669%0.688SS**Hα-helixtrans-77.1-21.9174.722.20000113.3A1365 E1366 V1372A1365-T1368 PolarHBondContact O-OG1 3.26Å; E1366-T1368 VanDerWaalsContact C-N 3.33Å; E1366-T1368 PolarHBondContact O-N 3.41Å; T1368-V1372 WeakPolarHBondContact O-CG2 3.28Å
1369A39.9Very low39.6Very low65 Ų65108.5 Ų108.554%0.53769%0.685SS.*Hα-helixtrans-73.9-40.4170.800000111.4E1366 H1371 V1372E1366-A1369 WeakPolarHBondContact O-CB 3.29Å; E1366-A1369 PolarHBondContact O-N 2.76Å; E1366-A1369 VanDerWaalsContact O-N 3.12Å; A1369-H1371 VanDerWaalsContact C-N 3.3Å; A1369-H1371 PolarHBondContact O-N 3.07Å; A1369-V1372 PolarHBondContact O-N 3.5Å
1370A41.3Very low39.7Very low72 Ų72106.6 Ų106.660%0.59568%0.683SS**Hα-helixtrans-70.3-17.4-177.200000115.1E1366E1366-A1370 PolarHBondContact O-N 3.01Å; E1366-A1370 VanDerWaalsContact O-N 3.11Å
1371H40Very low39.8Very low174 Ų174108.2 Ų108.281%0.80668%0.68SS**THydrogen-bonded Turntrans-97.84.7174.1-101-4.7000114.2A1369A1369-H1371 VanDerWaalsContact C-N 3.3Å; A1369-H1371 PolarHBondContact O-N 3.07Å
1372V44.7Very low40Very low89 Ų89109.3 Ų109.354%0.53967%0.672SS.*  trans-123.527.7177-166.60000110.1R1295 T1368 A1369R1295-V1372 VanDerWaalsContact CZ-O 3.3Å; R1295-V1372 PolarHBondContact NH1-O 3.18Å; R1295-V1372 PolarHBondContact NH2-O 2.89Å; T1368-V1372 WeakPolarHBondContact O-CG2 3.28Å; A1369-V1372 PolarHBondContact O-N 3.5Å
1373A38.6Very low40Very low142 Ų142111.5 Ų111.5100%1.17468%0.679SS**  trans-112.90171.600000109.5

Retrieved 1,373 of 1,373 residues in 321.8 ms (Link to these results)