A0A5K4FAQ7_SCHMA Loading...

RRM domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 473 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.6Very low46.9Very low241 Ų241165.5 Ų165.5100%1.18786%0.859SS**  0133.10-66.6163.376.800106.3
2I46Very low46.4Very low162 Ų162168.4 Ų168.483%0.83186%0.86SS**  trans-140.2117.2-156.9-60.9175.5000109.9
3D49.2Very low46.1Very low153 Ų153174.2 Ų174.282%0.81886%0.864SS**  trans-85.2156.4144-75.5-56000107.4
4P58.3Low45.8Very low104 Ų104176.6 Ų176.668%0.67587%0.868SS**  cis-153.3-169.638.843.8-21.9000117.8
5E46Very low45.2Very low175 Ų175172.5 Ų172.582%0.81886%0.863SS**  trans65.6132.4144.9-84.8-158.5117.300124.1
6S43.5Very low45.3Very low110 Ų110173.3 Ų173.377%0.76986%0.863SS**  trans78.7127.9145.683.70000119.6
7V48.4Very low44.9Very low139 Ų139172.2 Ų172.284%0.84286%0.861SS**  -162.9140.4119.6138.70000108.8
8K44.8Very low45.2Very low195 Ų195170.4 Ų170.485%0.84885%0.853SS**  trans-87.1151.4178.9-56.7157.7-175.3166.20109.6
9L46.2Very low44.9Very low173 Ų173168.3 Ų168.391%0.90684%0.84SS**  trans-162.5138.3146-111.8166.5000114
10N40.8Very low44.8Very low152 Ų152172.1 Ų172.181%0.81384%0.844SS**  trans-86.1154178.5-80.3-64.9000112.5
11K47.9Very low44.5Very low216 Ų216170.9 Ų170.994%0.93983%0.834SS**  trans-145.9107.7156.8-111.8164-173168.50112.8
12K41Very low44.3Very low201 Ų201166.1 Ų166.187%0.87481%0.813SS**  trans-84.9130.8170.4-72.9177175.1174.70111
13R42.1Very low44.2Very low243 Ų243168 Ų16892%0.91782%0.815SS**  trans-142.8102.4150.5-69.9-169.9171.5-179.8-5.2106.9
14K41.9Very low43.6Very low209 Ų209170.7 Ų170.791%0.90981%0.814SS**  54.5116.585.4-85.7-164.5171.7-174.20113.3
15S37Very low42.8Very low115 Ų115174 Ų17480%0.80482%0.821SS**  trans-78.9160.7179.132.60000112.9
16H46.4Very low42.5Very low185 Ų185173 Ų17386%0.85682%0.82SS**  trans-128.3142.6163.4-91.524.5000109.5
17N39.6Very low42.3Very low155 Ų155170.2 Ų170.283%0.82981%0.809SS**  trans-119.8134.8178.8-174.717.7000107.5
18I49.8Very low42.1Very low139 Ų139169.6 Ų169.671%0.71381%0.806SS**  trans-133.6101.8-177.3-59.2-178.7000108.9
19E39.4Very low42Very low130 Ų130167.6 Ų167.661%0.60781%0.805SS**  trans-64.4142.3157.9-73.9-170.5111.800109.7K21E19-K21 VanDerWaalsContact CD-NZ 3.25Å; E19-K21 WeakPolarHBondContact OE1-CE 3.36Å; E19-K21 IonicContact OE1-NZ 3.11Å; E19-K21 PolarHBondContact OE1-NZ 3.1Å; E19-K21 IonicContact OE2-NZ 2.76Å; E19-K21 PolarHBondContact OE2-NZ 3.42Å
20R42.6Very low41.8Very low245 Ų245167.9 Ų167.993%0.92580%0.801SS**  trans-126.9146142.3-80-168.5169.4163.9-2.3109.5
21K39.8Very low42Very low147 Ų147167.8 Ų167.864%0.63980%0.801SS**  trans-123.9163.6-156.5-110164.9177.41470110.6E19E19-K21 VanDerWaalsContact CD-NZ 3.25Å; E19-K21 WeakPolarHBondContact OE1-CE 3.36Å; E19-K21 IonicContact OE1-NZ 3.11Å; E19-K21 PolarHBondContact OE1-NZ 3.1Å; E19-K21 IonicContact OE2-NZ 2.76Å; E19-K21 PolarHBondContact OE2-NZ 3.42Å
22L39.6Very low41.9Very low140 Ų140164.3 Ų164.373%0.73379%0.792SS**  trans65.5113.9160.1-63.6156.6000117.5
23F42.9Very low42.3Very low201 Ų201162.6 Ų162.688%0.88279%0.791SS**  -141163.496.8-128.3-97000109.9
24R37.6Very low42.4Very low211 Ų211160.9 Ų160.980%0.79679%0.791SS**  trans-135.7176.8-174-96.6-168.5173.1-156.60.8110.6
25Q41.9Very low42.3Very low174 Ų174154.3 Ų154.381%0.81378%0.782SS**  trans77.8135.8170.1-46.2-178.3-75.900115.3
26D38.8Very low42.4Very low152 Ų152154.6 Ų154.681%0.81378%0.784SS**  cis-161.5172.4-25.9-108.8-52.6000107.7
27G40.2Very low41.9Very low52 Ų52154.1 Ų154.154%0.53678%0.784SS.*  cis-176.4-136.54.200000110.4
28T44.1Very low41.7Very low127 Ų127151.5 Ų151.578%0.77978%0.777SS**  trans11123.4156.954.30000118.8
29N42.8Very low41.4Very low152 Ų152150 Ų15081%0.81377%0.773SS**  cis-153.4156.419.1-79.3-32.8000111.9
30E41Very low41.2Very low179 Ų179151.9 Ų151.984%0.83678%0.782SS**  trans-83.1135.3161.6-65.6-176.8109.400110.9
31N45.1Very low41.3Very low150 Ų150145.1 Ų145.180%0.80277%0.772SS**  179.2158126.1-91.6-32.3000111.1
32D46.3Very low41.2Very low143 Ų143148.2 Ų148.277%0.76579%0.786SS**  trans48.8106.4165.3-62.6-44.7000120
33I49.8Very low41.5Very low165 Ų165151.3 Ų151.385%0.84679%0.793SS**  -170.4122.694.1-90.1154.7000109.4
34K44.6Very low41.2Very low208 Ų208150.7 Ų150.790%0.90479%0.79SS**  trans-79.4145.1171.6-72.4171.6178.91660110.9
35G38.7Very low41.4Very low70 Ų70151.8 Ų151.872%0.72279%0.794SS**  trans96.9102.5148.400000118.3
36S38.8Very low41.2Very low121 Ų121151.2 Ų151.285%0.84679%0.792SS**  -179.195.1111.139.70000112.8C38S36-C38 PolarHBondContact O-N 2.71Å
37M36.6Very low41.3Very low176 Ų176152.6 Ų152.687%0.86779%0.791SS**  trans-76.7101161.9-80.7170.25000109.9V39M37-V39 HydrophobicContact CE-CG2 4.36Å; M37-V39 PolarHBondContact O-N 3.19Å; M37-V39 VanDerWaalsContact O-N 3.17Å
38C35Very low41.2Very low100 Ų100160.6 Ų160.668%0.67681%0.806SS**  trans-88.379.4178.3-159.30000112.3S36 H40S36-C38 PolarHBondContact O-N 2.71Å; C38-H40 PolarHBondContact O-N 3.31Å; C38-H40 VanDerWaalsContact O-N 3.09Å; C38-H40 PolarHBondContact O-ND1 3.48Å; C38-H40 PolarHBondContact SG-CE1 3.41Å
39V42.8Very low40.7Very low106 Ų106161.8 Ų161.864%0.64281%0.808SS**  trans-70.499.8-179.4-175.10000111.1M37 S41M37-V39 HydrophobicContact CE-CG2 4.36Å; M37-V39 PolarHBondContact O-N 3.19Å; M37-V39 VanDerWaalsContact O-N 3.17Å; V39-S41 PolarHBondContact O-N 2.89Å
40H36.8Very low40.6Very low171 Ų171162.3 Ų162.379%0.79281%0.811SS**  trans-79.464.2177.7-78.170.5000112.6C38C38-H40 PolarHBondContact O-N 3.31Å; C38-H40 VanDerWaalsContact O-N 3.09Å; C38-H40 PolarHBondContact O-ND1 3.48Å; C38-H40 PolarHBondContact SG-CE1 3.41Å
41S43.3Very low40.5Very low102 Ų102159.2 Ų159.271%0.71381%0.809SS**  trans-80.5139.6171.2-91.90000112V39 K43V39-S41 PolarHBondContact O-N 2.89Å; S41-K43 PolarHBondContact O-N 3.15Å
42K38.2Very low40.1Very low213 Ų213157.2 Ų157.293%0.92680%0.802SS**  trans-65.3127-174-57.1167.6-175.1171.30110.9
43K45.6Very low40Very low205 Ų205155 Ų15589%0.89180%0.804SS**  trans-128.1108.3165.3-152.2158.4-171.2170.80111.9S41S41-K43 PolarHBondContact O-N 3.15Å
44K38.1Very low39.7Very low187 Ų187155.3 Ų155.381%0.81380%0.801SS**  trans-65.2131.9175.9-162.7-178.9-175.9-1720108.5
45R40.9Very low39.6Very low234 Ų234150.8 Ų150.888%0.88379%0.787SS**  trans-123.197.9-174.6-165.4175.8-175.8-178.10.4111.5
46Q37.3Very low39.9Very low162 Ų162155.1 Ų155.176%0.75779%0.786SS**  trans-97.4123.8160.8-76.4164-94.700108.5
47K41.8Very low40Very low182 Ų182155.1 Ų155.179%0.79178%0.781SS**  trans-152.3113.6152.7-92.5-163.7170.9-170.60105.3
48Y37.4Very low40.3Very low219 Ų219152 Ų15286%0.85977%0.772SS**  70.510883.2-84.7-73.7000111.5
49N34.5Very low40.6Very low153 Ų153155.4 Ų155.482%0.81878%0.778SS**  trans-77.3159.9166.8-56.6-12.8000109.3
50N40Very low40.7Very low163 Ų163155.2 Ų155.287%0.87278%0.782SS**  trans-165.1147.6155.4-110.66.9000109.7
51S39.1Very low40.9Very low114 Ų114154.7 Ų154.780%0.79778%0.78SS**  trans64.8149.4167.5-105.20000117.7
52T36.5Very low41Very low108 Ų108156.5 Ų156.566%0.66378%0.777SS**  cis-143.1141.5-2.1-62.20000109.4
53A44.4Very low41.1Very low97 Ų97153 Ų15380%0.80277%0.768SS**  trans-160.7116.4152.100000109.6
54E42.4Very low40.7Very low170 Ų170150.8 Ų150.879%0.79477%0.766SS**  trans-72.3169.3153.8-64.8122.7-170.400108.1
55D44Very low41Very low114 Ų114146.6 Ų146.661%0.6176%0.758SS**  cis-165.5154.332.8-170.117.3000109.7
56K44.2Very low40.8Very low160 Ų160143.9 Ų143.970%0.69676%0.76SS**  trans38131.9164-69.6156-168.194.10119.9
57T41.1Very low40.9Very low121 Ų121139.7 Ų139.774%0.74275%0.753SS**  cis-160.7-167.42.38.10000106.6
58T42.2Very low40.8Very low111 Ų111136.1 Ų136.168%0.68175%0.751SS**  cis-152.4-165.616.6-26.60000109.4
59E42.9Very low41Very low171 Ų171131.8 Ų131.880%0.79974%0.743SS**  trans-64.6166.4168.8-55.1104.7-129.700113.6
60S43.8Very low41.4Very low103 Ų103132.6 Ų132.672%0.7274%0.739SS**  cis-144.6147.813.857.60000114.9
61E41.1Very low41.4Very low160 Ų160132.7 Ų132.775%0.74873%0.732SS**  32.5147.1127.3-57.9-162.4167.400121.9
62Q45.8Very low41.5Very low139 Ų139133.2 Ų133.265%0.6573%0.73SS**  cis-159.2158.116.1-136.2176.67100113.2
63N39.5Very low41.6Very low140 Ų140134.9 Ų134.975%0.74974%0.735SS**  trans73.7144.3157.2-57.1-36000121.4
64N38.1Very low41.6Very low159 Ų159134 Ų13485%0.8572%0.723SS**  trans-154.3-163.2-168.5-143.9-4.2000109.6
65P44.2Very low41.6Very low98 Ų98134.3 Ų134.364%0.63673%0.725SS**  trans-126.9169.2-130.240.9-21.6000116.8
66L37.2Very low41.4Very low177 Ų177134.1 Ų134.193%0.92773%0.732SS**  trans-148.1161.5164.5-68.7176.2000110.7
67A39.1Very low41.2Very low75 Ų75132.1 Ų132.162%0.6273%0.733SS**  cis-174.5139.9-4100000109.8
68S39.7Very low41.1Very low107 Ų107135.1 Ų135.175%0.74874%0.739SS**  trans68.5167.6162.691.30000116.4
69N41.8Very low41.2Very low127 Ų127134.1 Ų134.168%0.67974%0.737SS**  cis-155.3172.54.9-122.7-21.1000112.8
70F42.1Very low41Very low170 Ų170132.9 Ų132.975%0.74674%0.735SS**  trans-11.3162.7161-63.1-60.6000121.8
71K41Very low40.9Very low166 Ų166140 Ų14072%0.72275%0.746SS**  cis-163.2153.63.8-110.2168.1178.4178.60106.8
72V40.3Very low40.9Very low124 Ų124141.1 Ų141.175%0.75276%0.757SS**  57.8125.270.6178.20000112.2
73D39.9Very low40.5Very low143 Ų143138.3 Ų138.377%0.76577%0.766SS**  cis-162.8-178.19.7-132-29.4000108.7
74S42.5Very low40.6Very low80 Ų80136.7 Ų136.756%0.55977%0.765SS**  cis-166.6169.6-5.9-141.80000113.4
75Q42.3Very low40.7Very low176 Ų176136.6 Ų136.682%0.82277%0.765SS**  trans67154.9147.6-78.1179.151.200124.9
76S40Very low40.4Very low109 Ų109141 Ų14176%0.76277%0.774SS**  trans80.5149.3162.873.70000119.2
77T40.2Very low40.6Very low118 Ų118142.5 Ų142.572%0.72477%0.773SS**  cis-170.5140.1-37.531.60000108.1
78E40Very low41Very low184 Ų184144 Ų14486%0.8678%0.779SS**  trans59.8156.1158.9-70.8-177144.700118
79S42.9Very low41.1Very low91 Ų91149.1 Ų149.164%0.63678%0.782SS**  cis-152.3170.1-7-113.70000111.8
80D38.8Very low41.2Very low144 Ų144153.9 Ų153.977%0.7779%0.79SS**  trans11.7131.4161.5-61.2-39000121.8
81R42.3Very low41.4Very low252 Ų252149.9 Ų149.995%0.95179%0.789SS**  -171.1155.1107.9-100.2158.7-169.3-148.30.6114.9
82L40.9Very low41.6Very low184 Ų184152.9 Ų152.996%0.96380%0.796SS**  trans-79.4148.7175.3-65.2158.9000111.4
83G38.3Very low41.9Very low81 Ų81154.1 Ų154.184%0.83580%0.798SS**  trans174111.5169.400000114.3
84S41.9Very low42.2Very low106 Ų106156.2 Ų156.274%0.74180%0.8SS**  trans-100.9140175.356.30000111.5
85N39Very low42.4Very low157 Ų157160.5 Ų160.584%0.8482%0.817SS**  -178.8168.3128.1-105.1-65.7000116.2
86K38.8Very low42.3Very low190 Ų190157.8 Ų157.883%0.82681%0.812SS**  trans-84.9150-173.4-60.9165.4177.2168.50114.6
87K41.6Very low42.6Very low208 Ų208159.5 Ų159.590%0.90482%0.818SS**  trans-167.4133.5139.3-96.7144.2-176.9175.80107.5
88S46.9Very low42.6Very low108 Ų108162.7 Ų162.776%0.75582%0.822SS**  cis105.4112.822.8-178.60000113.7
89R42.6Very low42.7Very low213 Ų213165.6 Ų165.680%0.80483%0.825SS**  trans-174.4122.4147.5-101.4158.7-176.6-169.3-0.2109.3
90R43.2Very low42.5Very low227 Ų227167.1 Ų167.186%0.85783%0.833SS**  74.9141.599.4-75.3-170.8180-179.3-3.3113.9
91A46.8Very low42.4Very low87 Ų87165.2 Ų165.272%0.71983%0.831SS**  cis-148.6141-0.200000109.6
92R44.7Very low42.3Very low228 Ų228162.5 Ų162.586%0.8683%0.829SS**  71.8109.586.1-166.3-165.5-174.8168.14.4115.5
93N45.8Very low42.4Very low151 Ų151162.1 Ų162.181%0.80782%0.822SS**  -164.1163.5119.7-96.4-13.9000111.8
94K46.5Very low42.6Very low187 Ų187164 Ų16481%0.81382%0.82SS**  trans-137.8160.6-177.5-63.3-177.9177.8-175.70109.1
95N46Very low42.2Very low170 Ų170166.3 Ų166.391%0.90982%0.824SS**  trans-156.4164.2134.3-102.4-15.7000111.2
96V40.7Very low42.4Very low118 Ų118164.7 Ų164.772%0.71582%0.824SS**  trans-147.7137.8-161.2172.70000111
97T46.9Very low42.6Very low146 Ų146162.7 Ų162.790%0.89682%0.821SS**  trans-137.6157.8159.1-35.50000109.9
98K41.2Very low42.6Very low184 Ų184161.5 Ų161.580%0.882%0.821SS**  trans-114.8156.1-163.7-47.5166.3-177.9174.60112.2
99R41.7Very low42Very low245 Ų245160.9 Ų160.993%0.92582%0.817SS**  -174.9165118.7-100.2168.3-177.3-174.40.7112.4
100P36.9Very low42Very low124 Ų124155.2 Ų155.281%0.80581%0.81SS**  trans-103.1-169.3-159.941.8-37.7000115.3
101S37.3Very low41.4Very low103 Ų103153.3 Ų153.372%0.7281%0.808SS**  trans-83.8155.8-17052.60000116.9
102E40.1Very low40.9Very low196 Ų196155.8 Ų155.892%0.91681%0.809SS**  trans-152.4154.6145.2-113157.1-142.600109.9
103H43.2Very low40.3Very low176 Ų176153 Ų15382%0.81581%0.805SS**  trans-104161.3178.6-85.6-91.2000110.5
104P43.2Very low39.7Very low121 Ų121150.2 Ų150.279%0.78680%0.797SS**  -140.9-179.510038.8-25.3000114.1
105D33.8Very low39Very low154 Ų154147.1 Ų147.182%0.82480%0.799SS**  trans-75.3147.3-170.1-52.5-91.2000115.4
106S43.2Very low38.4Very low122 Ų122143.2 Ų143.285%0.85378%0.781SS**  trans-149.3134.6152.3-172.90000110.3
107I42.6Very low38.1Very low149 Ų149144.1 Ų144.176%0.76478%0.782SS**  trans-96.7110.8-168.3-61.9165.1000109.6
108M42Very low37.8Very low182 Ų182143.3 Ų143.390%0.89777%0.772SS**  trans-133.7134.2156.8-95.5-63.6111.800111.1
109S34.2Very low38.1Very low95 Ų95142.6 Ų142.666%0.66477%0.771SS**  trans-85.5148.3-156.5-177.60000114.3
110S41.3Very low38.7Very low95 Ų95134.9 Ų134.966%0.66475%0.748SS**  trans55.2104.5143.6600000120.3
111K32.5Very low39.7Very low186 Ų186131.6 Ų131.681%0.80973%0.728SS**  62.788108.2-170.4-172.5-177.7176.70117.1
112D35.9Very low41.5Very low140 Ų140128.3 Ų128.375%0.74970%0.702SS**  trans-127.581.7160.6-125.2-40.9000111.9C114D112-C114 PolarHBondContact O-N 3.04Å; D112-C114 PolarHBondContact OD1-SG 2.94Å; D112-C114 VanDerWaalsContact OD1-SG 3.33Å
113H31.6Very low43.7Very low169 Ų169119.2 Ų119.278%0.78266%0.66SS**  trans-77.568.4168.3-75.6-70.1000109.9S115H113-S115 PolarHBondContact O-N 2.56Å
114C32.7Very low45.9Very low93 Ų93110.9 Ų110.963%0.62862%0.621SS**  trans-74.647.5-178.2-105.10000114.2D112 V116D112-C114 PolarHBondContact O-N 3.04Å; D112-C114 PolarHBondContact OD1-SG 2.94Å; D112-C114 VanDerWaalsContact OD1-SG 3.33Å; C114-V116 PolarHBondContact O-N 2.65Å
115S32.6Very low48.1Very low122 Ų122107.5 Ų107.585%0.85360%0.596SS**  trans-74.445.6163.2-64.10000111.3H113H113-S115 PolarHBondContact O-N 2.56Å
116V33.5Very low50.8Low87 Ų87100.1 Ų100.153%0.52756%0.557SS.*  trans-85.3117.7-178.8-173.20000109.1C114 N118C114-V116 PolarHBondContact O-N 2.65Å; V116-N118 HydrophobicContact CG1-CB 4.2Å; V116-N118 PolarHBondContact O-N 2.74Å
117N34.6Very low53.1Low138 Ų13896.4 Ų96.474%0.73853%0.529SS*.  trans-73.374179-173.712.8000111.9
118N39.3Very low55.3Low128 Ų12893 Ų9368%0.68451%0.512SS*.  trans-104.823.8-169.7-104.9-8.4000114.6V116 N120V116-N118 HydrophobicContact CG1-CB 4.2Å; V116-N118 PolarHBondContact O-N 2.74Å; N118-N120 PolarHBondContact O-N 3.33Å
119Q47.6Very low57.4Low169 Ų16984.8 Ų84.879%0.7947%0.472SS*.G310 helixtrans-69-2-175.7-62.3-168.8-3.600115.6C121Q119-C121 PolarHBondContact O-N 3.27Å
120N53.7Low59.8Low84 Ų8481.1 Ų81.145%0.44945%0.446SS..G310 helixtrans-70.2-19-161.7-87.9-25.9000117.4N118 T192N118-N120 PolarHBondContact O-N 3.33Å; N120-T192 WeakPolarHBondContact O-CA 3.33Å
121C58.3Low61.8Low54 Ų5485.2 Ų85.237%0.36545%0.452SS..G310 helixtrans-124.1-1.6-159.7-62.60000116.7Q119 S123 Q190Q119-C121 PolarHBondContact O-N 3.27Å; C121-S123 VanDerWaalsContact C-N 3.33Å; C121-S123 PolarHBondContact O-N 2.8Å; C121-S123 VanDerWaalsContact O-N 3.1Å; C121-Q190 PolarHBondContact O-NE2 3.43Å
122L76.2Confident64.2Low35 Ų3579.7 Ų79.718%0.18343%0.429CS..  trans-88.656.5-173.9-60.8-177.3000113.7F163 N164 T165 V166 Y169L122-F163 HydrophobicContact CB-CB 4.35Å; L122-F163 WeakPolarHBondContact CB-O 3.2Å; L122-F163 PolarHBondContact O-N 2.98Å; L122-F163 VanDerWaalsContact O-N 3.14Å; L122-N164 WeakPolarHBondContact CD1-O 3.36Å; L122-T165 WeakPolarHBondContact CD2-O 3.33Å; L122-V166 HydrophobicContact CD2-CG2 4.12Å; L122-Y169 HydrophobicContact CD2-CG 4.47Å
123S85.6Confident66.6Low5 Ų573 Ų734%0.03539%0.393CS..EExtended strand (participates in β ladder)trans-148148.4172.5-62.20000112.7C121 A161 N162 V191C121-S123 VanDerWaalsContact C-N 3.33Å; C121-S123 PolarHBondContact O-N 2.8Å; C121-S123 VanDerWaalsContact O-N 3.1Å; S123-A161 CarbonylContact C-O 3.56Å; S123-A161 VanDerWaalsContact CA-O 3.24Å; S123-A161 WeakPolarHBondContact CA-O 3.48Å; S123-N162 VanDerWaalsContact OG-CG 3.28Å; S123-N162 PolarHBondContact OG-ND2 3.28Å; S123-N162 VanDerWaalsContact OG-ND2 3.08Å; S123-N162 PolarHBondContact OG-OD1 3.39Å; S123-V191 WeakPolarHBondContact CB-O 3.32Å; S123-V191 PolarHBondContact O-N 3.37Å
124L89.2Confident69.2Low0 Ų068.7 Ų68.70%038%0.376CS..EExtended strand (participates in β ladder)trans-134.6129.6-171.4-159.683.3000110.3I126 F160 A161 F163 Y169 T173 L176 F188L124-I126 HydrophobicContact CD2-CG1 4.14Å; L124-F160 WeakPolarHBondContact O-CA 3.49Å; L124-A161 HydrophobicContact CB-CB 4.49Å; L124-A161 PolarHBondContact N-O 2.86Å; L124-A161 PolarHBondContact O-N 3.34Å; L124-F163 HydrophobicContact CB-CE2 3.83Å; L124-Y169 HydrophobicContact CB-CE2 4.49Å; L124-Y169 HydrophobicContact CD1-CE2 3.64Å; L124-T173 HydrophobicContact CD1-CG2 4.04Å; L124-T173 HydrophobicContact CD2-CG2 4.47Å; L124-L176 HydrophobicContact CD2-CD1 3.41Å; L124-L176 VanDerWaalsContact CD2-CD1 3.41Å; L124-F188 HydrophobicContact CD1-CD2 4Å; L124-F188 HydrophobicContact CD2-CB 3.88Å; L124-F188 HydrophobicContact CD2-CD2 4.19Å; L124-F188 HydrophobicContact CD2-CG 4.2Å; L124-F188 HydrophobicContact CG-CB 4.12Å; L124-F188 HydrophobicContact CG-CD2 4.45Å
125L90.5Very high71.9Confident50 Ų5069.8 Ų69.826%0.26237%0.367SS..EExtended strand (participates in β ladder)trans-97.4117.4170174.670000108.8T127 F151 L158 F160 F188 R189 V191L125-T127 HydrophobicContact CD2-CG2 4.2Å; L125-T127 HydrophobicContact CG-CG2 3.95Å; L125-F151 HydrophobicContact CD1-CE1 4.39Å; L125-F151 HydrophobicContact CD1-CZ 3.94Å; L125-L158 HydrophobicContact CD1-CD2 4.4Å; L125-F160 HydrophobicContact CB-CD2 4.36Å; L125-F160 HydrophobicContact CD1-CD2 4.37Å; L125-F188 CarbonylContact O-C 3.57Å; L125-F188 VanDerWaalsContact O-CA 3.29Å; L125-F188 WeakPolarHBondContact O-CA 3.46Å; L125-R189 PolarHBondContact N-O 3.18Å; L125-R189 PolarHBondContact O-N 2.93Å; L125-V191 HydrophobicContact CB-CG2 3.48Å; L125-V191 VanDerWaalsContact CB-CG2 3.48Å; L125-V191 HydrophobicContact CD2-CG2 4.43Å
126I90.7Very high74.5Confident0 Ų067.6 Ų67.60%035%0.352CS..EExtended strand (participates in β ladder)trans-99.2128.3178.3-49.6164.8000108.2L124 L129 L138 I142 L158 A159 L176 P186 F188L124-I126 HydrophobicContact CD2-CG1 4.14Å; I126-L129 HydrophobicContact CB-CD1 4.45Å; I126-L129 HydrophobicContact CG2-CD1 4.1Å; I126-L129 HydrophobicContact CG2-CD2 3.77Å; I126-L129 HydrophobicContact CG2-CG 4.02Å; I126-L138 HydrophobicContact CD1-CD1 4.5Å; I126-L138 HydrophobicContact CD1-CD2 4.49Å; I126-I142 HydrophobicContact CD1-CD1 3.37Å; I126-L158 WeakPolarHBondContact O-CA 3.2Å; I126-A159 HydrophobicContact CB-CB 4.27Å; I126-A159 HydrophobicContact CD1-CB 4.3Å; I126-A159 PolarHBondContact N-O 3.33Å; I126-A159 PolarHBondContact O-N 2.89Å; I126-L176 HydrophobicContact CD1-CD1 3.96Å; I126-L176 HydrophobicContact CD1-CD2 4.47Å; I126-L176 HydrophobicContact CG1-CD1 3.93Å; I126-L176 HydrophobicContact CG2-CD2 4.1Å; I126-P186 HydrophobicContact CG2-CB 4.13Å; I126-F188 HydrophobicContact CG1-CB 4.46Å
127T90.3Very high77.1Confident43 Ų4367.2 Ų67.226%0.26435%0.345SS..EExtended strand (participates in β ladder)trans-128175.6-176.285.60000110.6L125 L129 L158 S187L125-T127 HydrophobicContact CD2-CG2 4.2Å; L125-T127 HydrophobicContact CG-CG2 3.95Å; T127-L129 PolarHBondContact O-N 2.61Å; T127-L158 HydrophobicContact CG2-CD2 3.63Å; T127-S187 CarbonylContact C-O 3.59Å; T127-S187 VanDerWaalsContact CA-O 3.31Å; T127-S187 WeakPolarHBondContact CA-O 3.43Å; T127-S187 VanDerWaalsContact CB-O 3.3Å; T127-S187 WeakPolarHBondContact CB-O 3.27Å; T127-S187 PolarHBondContact N-O 2.92Å; T127-S187 PolarHBondContact O-N 3.36Å; T127-S187 PolarHBondContact OG1-O 2.8Å
128N88.1Confident79.7Confident78 Ų7860.6 Ų60.642%0.41731%0.31SS..EExtended strand (participates in β ladder)trans61.921.9-177.3-151.844.8000115P130 V184 K185N128-P130 WeakPolarHBondContact O-CD 3.46Å; N128-V184 WeakPolarHBondContact ND2-CG1 3.08Å; N128-K185 PolarHBondContact ND2-O 3.43Å
129L88.1Confident82Confident10 Ų1059.5 Ų59.55%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-72.9127.9178.7-63.8170.1000111.1I126 T127 I133 L138 L150 R157 A159 F181 P186I126-L129 HydrophobicContact CB-CD1 4.45Å; I126-L129 HydrophobicContact CG2-CD1 4.1Å; I126-L129 HydrophobicContact CG2-CD2 3.77Å; I126-L129 HydrophobicContact CG2-CG 4.02Å; T127-L129 PolarHBondContact O-N 2.61Å; L129-I133 HydrophobicContact CB-CD1 4.1Å; L129-I133 HydrophobicContact CD2-CD1 3.76Å; L129-L138 HydrophobicContact CD1-CD2 3.86Å; L129-L138 HydrophobicContact CD2-CD1 4.18Å; L129-L150 HydrophobicContact CD1-CD1 4.13Å; L129-R157 HydrophobicContact CB-CB 4.27Å; L129-A159 HydrophobicContact CD1-CB 3.87Å; L129-F181 HydrophobicContact CD2-CE2 4.48Å; L129-P186 HydrophobicContact CD2-CB 4.06Å
130P83.9Confident83.9Confident17 Ų1756.9 Ų56.911%0.1129%0.291CS..  trans-47154.2168.1-33.634.2000115.4N128 H132 I133 F181 V184N128-P130 WeakPolarHBondContact O-CD 3.46Å; P130-H132 VanDerWaalsContact C-N 3.25Å; P130-H132 WeakPolarHBondContact CB-CE1 3.22Å; P130-H132 PolarHBondContact O-N 2.89Å; P130-I133 HydrophobicContact CB-CD1 4.33Å; P130-I133 HydrophobicContact CB-CG1 4.26Å; P130-I133 HydrophobicContact CG-CD1 4.2Å; P130-I133 PolarHBondContact O-N 2.83Å; P130-F181 HydrophobicContact CG-CB 3.85Å; P130-F181 WeakPolarHBondContact CG-O 3.1Å; P130-V184 HydrophobicContact CG-CB 4.12Å; P130-V184 HydrophobicContact CG-CG2 4.47Å
131K82.3Confident85.5Confident182 Ų18253.4 Ų53.479%0.79127%0.274SS*.THydrogen-bonded Turntrans-63.8-29.4-175.5-67.3175.6-175.8168.50112.9R157K131-R157 WeakPolarHBondContact O-CD 3.2Å; K131-R157 PolarHBondContact O-NH1 3Å
132H83.2Confident86.9Confident69 Ų6950.9 Ų50.932%0.31926%0.256SS..THydrogen-bonded Turntrans-78-25.3-176.668.7-105.2000113.3P130 N134 R157 D182P130-H132 VanDerWaalsContact C-N 3.25Å; P130-H132 WeakPolarHBondContact CB-CE1 3.22Å; P130-H132 PolarHBondContact O-N 2.89Å; H132-N134 PolarHBondContact O-N 3.21Å; H132-N134 VanDerWaalsContact O-N 3.13Å; H132-N134 PolarHBondContact O-OD1 3.42Å; H132-R157 PolarHBondContact O-NH1 2.83Å; H132-D182 IonicContact CE1-OD1 3.38Å; H132-D182 PolarHBondContact CE1-OD1 2.94Å; H132-D182 IonicContact CE1-OD2 2.95Å; H132-D182 PolarHBondContact CE1-OD2 2.62Å; H132-D182 IonicContact ND1-OD2 2.95Å; H132-D182 PolarHBondContact ND1-OD2 3.04Å
133I86.1Confident87.4Confident0 Ų052.6 Ų52.60%027%0.27CS..  trans-56.7117.1-167.8-72.8-179.7000111.7L129 P130 L138 L150 R157 F181L129-I133 HydrophobicContact CB-CD1 4.1Å; L129-I133 HydrophobicContact CD2-CD1 3.76Å; P130-I133 HydrophobicContact CB-CD1 4.33Å; P130-I133 HydrophobicContact CB-CG1 4.26Å; P130-I133 HydrophobicContact CG-CD1 4.2Å; P130-I133 PolarHBondContact O-N 2.83Å; I133-L138 HydrophobicContact CG2-CB 4.09Å; I133-L150 WeakPolarHBondContact O-CD2 3.25Å; I133-R157 WeakPolarHBondContact O-CD 3.45Å; I133-R157 PolarHBondContact O-NE 3Å; I133-R157 PolarHBondContact O-NH1 3.24Å; I133-R157 PolarHBondContact O-NH2 3.21Å; I133-R157 VanDerWaalsContact O-NH2 3.14Å; I133-F181 HydrophobicContact CD1-CB 3.71Å; I133-F181 HydrophobicContact CD1-CD1 3.62Å; I133-F181 HydrophobicContact CD1-CD2 3.68Å; I133-F181 HydrophobicContact CD1-CE1 4.07Å; I133-F181 HydrophobicContact CD1-CE2 4.12Å; I133-F181 HydrophobicContact CD1-CG 3.41Å; I133-F181 VanDerWaalsContact CD1-CG 3.41Å; I133-F181 HydrophobicContact CD1-CZ 4.29Å; I133-F181 HydrophobicContact CG1-CB 4.45Å; I133-F181 HydrophobicContact CG1-CD1 4.14Å; I133-F181 HydrophobicContact CG1-CG 4.32Å
134N87.2Confident87.4Confident78 Ų7853.3 Ų53.342%0.41728%0.275SS..  trans-100.9171.6178.9-70.7-33.1000111.8H132 S136 M137 L138 R157H132-N134 PolarHBondContact O-N 3.21Å; H132-N134 VanDerWaalsContact O-N 3.13Å; H132-N134 PolarHBondContact O-OD1 3.42Å; N134-S136 VanDerWaalsContact C-N 3.31Å; N134-S136 PolarHBondContact O-N 3.2Å; N134-M137 PolarHBondContact O-N 3.43Å; N134-L138 PolarHBondContact O-N 2.97Å; N134-R157 PolarHBondContact OD1-NH1 3.31Å; N134-R157 VanDerWaalsContact OD1-NH1 3.13Å; N134-R157 PolarHBondContact OD1-NH2 2.93Å
135Y88.4Confident87.2Confident117 Ų11754 Ų5446%0.45928%0.28SS..Hα-helixtrans-57.5-41.5-174.6178.7-99.4000112.8L138 K139 L148Y135-L138 PolarHBondContact O-N 3.25Å; Y135-K139 HydrophobicContact CE1-CD 4.19Å; Y135-K139 WeakPolarHBondContact O-CB 2.89Å; Y135-K139 PolarHBondContact O-N 2.78Å; Y135-L148 HydrophobicContact CD2-CD2 3.68Å; Y135-L148 HydrophobicContact CE2-CB 4.12Å; Y135-L148 HydrophobicContact CE2-CD2 3.64Å
136S88.4Confident86.8Confident75 Ų7554.3 Ų54.352%0.52429%0.29SS..Hα-helixtrans-57.8-62.2177.7-37.70000111.1N134 L138 K139 D140N134-S136 VanDerWaalsContact C-N 3.31Å; N134-S136 PolarHBondContact O-N 3.2Å; S136-L138 PolarHBondContact O-N 2.94Å; S136-K139 CarbonylContact O-C 3.59Å; S136-K139 WeakPolarHBondContact O-CA 3.49Å; S136-K139 WeakPolarHBondContact O-CB 3.36Å; S136-K139 PolarHBondContact O-N 3.37Å; S136-D140 PolarHBondContact O-N 2.95Å
137M87.7Confident86.5Confident79 Ų7962.3 Ų62.339%0.38932%0.32SS..Hα-helixtrans-47-39.9179.6-58.4169.6-173.400113.3N134 D140 A141N134-M137 PolarHBondContact O-N 3.43Å; M137-D140 PolarHBondContact N-OD2 2.88Å; M137-A141 VanDerWaalsContact O-CB 3.26Å; M137-A141 WeakPolarHBondContact O-CB 3.45Å; M137-A141 PolarHBondContact O-N 2.85Å
138L88.1Confident86.5Confident0 Ų060.9 Ų60.90%031%0.311CS..Hα-helixtrans-82.7-23.4-178.3-16260.9000113.6I126 L129 I133 N134 Y135 S136 I142 L148 L150 A159 F181I126-L138 HydrophobicContact CD1-CD1 4.5Å; I126-L138 HydrophobicContact CD1-CD2 4.49Å; L129-L138 HydrophobicContact CD1-CD2 3.86Å; L129-L138 HydrophobicContact CD2-CD1 4.18Å; I133-L138 HydrophobicContact CG2-CB 4.09Å; N134-L138 PolarHBondContact O-N 2.97Å; Y135-L138 PolarHBondContact O-N 3.25Å; S136-L138 PolarHBondContact O-N 2.94Å; L138-I142 HydrophobicContact CD1-CD1 4.33Å; L138-I142 PolarHBondContact O-N 2.97Å; L138-L148 HydrophobicContact CB-CD2 4.47Å; L138-L148 HydrophobicContact CD2-CD2 4.3Å; L138-L148 HydrophobicContact CG-CD1 4.24Å; L138-L148 HydrophobicContact CG-CD2 4.46Å; L138-L150 HydrophobicContact CD2-CD1 4.03Å; L138-A159 HydrophobicContact CD2-CB 3.3Å; L138-F181 HydrophobicContact CD1-CZ 4.23Å
139K88.5Confident86.5Confident105 Ų10562.4 Ų62.446%0.45732%0.315SS..Hα-helixtrans-76.6-37.4168.2-170.6-173.2176.1-164.40111.3Y135 S136 A141 I142 P143Y135-K139 HydrophobicContact CE1-CD 4.19Å; Y135-K139 WeakPolarHBondContact O-CB 2.89Å; Y135-K139 PolarHBondContact O-N 2.78Å; S136-K139 CarbonylContact O-C 3.59Å; S136-K139 WeakPolarHBondContact O-CA 3.49Å; S136-K139 WeakPolarHBondContact O-CB 3.36Å; S136-K139 PolarHBondContact O-N 3.37Å; K139-A141 VanDerWaalsContact C-N 3.34Å; K139-I142 CarbonylContact O-C 3.53Å; K139-I142 PolarHBondContact O-N 2.96Å; K139-P143 VanDerWaalsContact O-CA 3.31Å; K139-P143 WeakPolarHBondContact O-CA 3.31Å
140D87.8Confident86.6Confident114 Ų11463.6 Ų63.661%0.6132%0.322SS*.Hα-helixtrans-67.2-39.2176.6-52.1-34.3000110.3S136 M137S136-D140 PolarHBondContact O-N 2.95Å; M137-D140 PolarHBondContact N-OD2 2.88Å
141A86.5Confident86.9Confident11 Ų1165.9 Ų65.99%0.09133%0.33CS..Hα-helixtrans-61.9-39.2168.700000113.7M137 K139 R175 L179 F181M137-A141 VanDerWaalsContact O-CB 3.26Å; M137-A141 WeakPolarHBondContact O-CB 3.45Å; M137-A141 PolarHBondContact O-N 2.85Å; K139-A141 VanDerWaalsContact C-N 3.34Å; A141-R175 WeakPolarHBondContact O-CD 3.31Å; A141-L179 HydrophobicContact CB-CD1 3.56Å; A141-F181 HydrophobicContact CB-CZ 4.01Å
142I88.3Confident87.2Confident0 Ų066.7 Ų66.70%033%0.328CS..  trans-132.671.2-173.1-42.9175.4000111I126 L138 K139 S144 A145 F163 A172 L176I126-I142 HydrophobicContact CD1-CD1 3.37Å; L138-I142 HydrophobicContact CD1-CD1 4.33Å; L138-I142 PolarHBondContact O-N 2.97Å; K139-I142 CarbonylContact O-C 3.53Å; K139-I142 PolarHBondContact O-N 2.96Å; I142-S144 VanDerWaalsContact C-N 3.26Å; I142-S144 PolarHBondContact O-N 2.57Å; I142-A145 HydrophobicContact CB-CB 4.44Å; I142-A145 HydrophobicContact CG2-CB 3.94Å; I142-A145 WeakPolarHBondContact O-CB 3.42Å; I142-A145 PolarHBondContact O-N 3.03Å; I142-F163 HydrophobicContact CG2-CE1 3.91Å; I142-F163 HydrophobicContact CG2-CZ 4.12Å; I142-A172 HydrophobicContact CG2-CB 3.48Å; I142-A172 VanDerWaalsContact CG2-CB 3.48Å; I142-L176 HydrophobicContact CD1-CD1 3.68Å; I142-L176 HydrophobicContact CD1-CD2 3.99Å; I142-L176 HydrophobicContact CD1-CG 3.79Å; I142-L176 HydrophobicContact CG1-CG 4.35Å
143P87.4Confident87.2Confident72 Ų7270 Ų7047%0.46834%0.341SS..THydrogen-bonded Turntrans-67.8-27.5-176.826.4-34.6000112.7K139 A145K139-P143 VanDerWaalsContact O-CA 3.31Å; K139-P143 WeakPolarHBondContact O-CA 3.31Å; P143-A145 PolarHBondContact O-N 3.18Å
144S84.3Confident87Confident20 Ų2075.8 Ų75.814%0.1438%0.382CS..THydrogen-bonded Turntrans-65.3-9.8175.4-55.80000114.5I142 A146 F163 D168I142-S144 VanDerWaalsContact C-N 3.26Å; I142-S144 PolarHBondContact O-N 2.57Å; S144-A146 PolarHBondContact O-N 2.89Å; S144-F163 WeakPolarHBondContact O-CD1 3.48Å; S144-D168 WeakPolarHBondContact CB-OD1 3.47Å
145A85.2Confident86.7Confident14 Ų1474.6 Ų74.612%0.11639%0.388CS..  trans-74.488.9-179.600000111.8I142 P143 R147 L148 A161 N162 F163I142-A145 HydrophobicContact CB-CB 4.44Å; I142-A145 HydrophobicContact CG2-CB 3.94Å; I142-A145 WeakPolarHBondContact O-CB 3.42Å; I142-A145 PolarHBondContact O-N 3.03Å; P143-A145 PolarHBondContact O-N 3.18Å; A145-R147 PolarHBondContact O-N 3Å; A145-L148 HydrophobicContact CB-CB 4.2Å; A145-L148 HydrophobicContact CB-CD1 3.9Å; A145-A161 HydrophobicContact CB-CB 4.07Å; A145-N162 CarbonylContact C-O 3.55Å; A145-F163 HydrophobicContact CB-CE1 3.85Å; A145-F163 HydrophobicContact CB-CZ 4.32Å
146A82.6Confident86.5Confident57 Ų5775.7 Ų75.747%0.47140%0.395SS..SBendtrans-47.5-29175.800000114.1S144 N162 N164S144-A146 PolarHBondContact O-N 2.89Å; A146-N162 PolarHBondContact N-O 2.83Å; A146-N164 HydrophobicContact CB-CB 4.46Å; A146-N164 VanDerWaalsContact CB-OD1 3.24Å; A146-N164 WeakPolarHBondContact CB-OD1 3.2Å
147R84.5Confident86.5Confident167 Ų16774.8 Ų74.863%0.6338%0.38SS*.EExtended strand (participates in β ladder)trans-146125.2164.3172.5178.2175175.91.7111.1A145 A161 N162A145-R147 PolarHBondContact O-N 3Å; R147-A161 CarbonylContact O-C 3.06Å; R147-A161 WeakPolarHBondContact O-CA 3.38Å; R147-N162 HydrophobicContact CB-CB 3.99Å; R147-N162 PolarHBondContact N-O 3.03Å; R147-N162 PolarHBondContact O-N 2.74Å
148L89.2Confident86.7Confident14 Ų1472 Ų727%0.07337%0.367CS..EExtended strand (participates in β ladder)trans-119.6136.5-179.7-166.8141.1000110.6Y135 L138 A145 F160Y135-L148 HydrophobicContact CD2-CD2 3.68Å; Y135-L148 HydrophobicContact CE2-CB 4.12Å; Y135-L148 HydrophobicContact CE2-CD2 3.64Å; L138-L148 HydrophobicContact CB-CD2 4.47Å; L138-L148 HydrophobicContact CD2-CD2 4.3Å; L138-L148 HydrophobicContact CG-CD1 4.24Å; L138-L148 HydrophobicContact CG-CD2 4.46Å; A145-L148 HydrophobicContact CB-CB 4.2Å; A145-L148 HydrophobicContact CB-CD1 3.9Å; L148-F160 CarbonylContact C-O 3.5Å; L148-F160 WeakPolarHBondContact CA-O 3.24Å
149H88.4Confident86.8Confident109 Ų10972 Ų7251%0.50537%0.367SS..EExtended strand (participates in β ladder)trans-138.8111.8-178.2-177.367000111.6F151 A159 F160H149-F151 AromaticContact CD2-CD1 3.9Å; H149-A159 CarbonylContact O-C 3.55Å; H149-A159 VanDerWaalsContact O-CA 3.27Å; H149-A159 WeakPolarHBondContact O-CA 3.47Å; H149-F160 PolarHBondContact N-O 2.64Å; H149-F160 PolarHBondContact O-N 3.14Å
150L90.3Very high87Confident35 Ų3568.9 Ų68.918%0.18335%0.354CS..EExtended strand (participates in β ladder)trans-96.4127.3-179-175.272.2000110.3L129 I133 L138 R157 A159L129-L150 HydrophobicContact CD1-CD1 4.13Å; I133-L150 WeakPolarHBondContact O-CD2 3.25Å; L138-L150 HydrophobicContact CD2-CD1 4.03Å; L150-R157 HydrophobicContact CD1-CG 4.15Å; L150-A159 HydrophobicContact CD1-CB 4.02Å
151F89.9Confident87.1Confident66 Ų6663.5 Ų63.529%0.28933%0.325SS..EExtended strand (participates in β ladder)trans-142.1172.2-176.364.5-81.2000112.2L125 H149 K153 L158 F160L125-F151 HydrophobicContact CD1-CE1 4.39Å; L125-F151 HydrophobicContact CD1-CZ 3.94Å; H149-F151 AromaticContact CD2-CD1 3.9Å; F151-K153 HydrophobicContact CE2-CB 4.41Å; F151-L158 HydrophobicContact CD1-CB 4.36Å; F151-L158 WeakPolarHBondContact CD1-O 3.37Å; F151-L158 HydrophobicContact CD2-CB 4.11Å; F151-L158 HydrophobicContact CD2-CD1 4.48Å; F151-L158 HydrophobicContact CE1-CB 3.97Å; F151-L158 HydrophobicContact CE2-CB 3.69Å; F151-L158 HydrophobicContact CE2-CD1 3.88Å; F151-L158 HydrophobicContact CE2-CG 4.39Å; F151-L158 HydrophobicContact CG-CB 4.43Å; F151-L158 HydrophobicContact CZ-CB 3.61Å; F151-L158 HydrophobicContact CZ-CD1 4.41Å; F151-L158 PolarHBondContact N-O 2.79Å; F151-L158 PolarHBondContact O-N 2.65Å; F151-F160 HydrophobicContact CE1-CB 4.25Å
152R88.2Confident87.3Confident198 Ų19864.7 Ų64.775%0.74733%0.329SS*.EExtended strand (participates in β ladder)trans-125.8126.4-180-147.7170.780.1169.74.8110.4K156R152-K156 WeakPolarHBondContact CA-O 3.34Å; R152-K156 VanDerWaalsContact CG-O 3.27Å; R152-K156 WeakPolarHBondContact CG-O 3.46Å
153K84.2Confident87.3Confident138 Ų13865 Ų6560%0.633%0.331SS*.EExtended strand (participates in β ladder)trans-136130.9178.8-164.6180-180179.50109.2F151 G155 K156 L158F151-K153 HydrophobicContact CE2-CB 4.41Å; K153-G155 PolarHBondContact O-N 3.06Å; K153-G155 VanDerWaalsContact O-N 3.17Å; K153-K156 PolarHBondContact N-O 3.48Å; K153-K156 PolarHBondContact O-N 3.21Å; K153-L158 HydrophobicContact CB-CD1 3.49Å; K153-L158 VanDerWaalsContact CB-CD1 3.49Å
154S82.8Confident87.2Confident123 Ų12367.6 Ų67.686%0.8634%0.341SS*.THydrogen-bonded Turntrans49.740.9-178.4-510000113.7K156S154-K156 PolarHBondContact O-N 2.91Å; S154-K156 VanDerWaalsContact O-N 3.17Å
155G80.9Confident87.2Confident52 Ų5269.4 Ų69.454%0.53635%0.351SS..THydrogen-bonded Turntrans77.1-14.5-178.900000116.2K153K153-G155 PolarHBondContact O-N 3.06Å; K153-G155 VanDerWaalsContact O-N 3.17Å
156K84.2Confident87.3Confident141 Ų14173.2 Ų73.261%0.61337%0.373SS*.EExtended strand (participates in β ladder)trans-87.9144.1177.7-58.4-167.5178.3-166.60111.2R152 K153 S154R152-K156 WeakPolarHBondContact CA-O 3.34Å; R152-K156 VanDerWaalsContact CG-O 3.27Å; R152-K156 WeakPolarHBondContact CG-O 3.46Å; K153-K156 PolarHBondContact N-O 3.48Å; K153-K156 PolarHBondContact O-N 3.21Å; S154-K156 PolarHBondContact O-N 2.91Å; S154-K156 VanDerWaalsContact O-N 3.17Å
157R88.1Confident87.5Confident55 Ų5576.4 Ų76.421%0.20838%0.382CS..EExtended strand (participates in β ladder)trans-84.8137.3171.5-139.7165.8-174.8178-14.3108.2L129 K131 H132 I133 N134 L150L129-R157 HydrophobicContact CB-CB 4.27Å; K131-R157 WeakPolarHBondContact O-CD 3.2Å; K131-R157 PolarHBondContact O-NH1 3Å; H132-R157 PolarHBondContact O-NH1 2.83Å; I133-R157 WeakPolarHBondContact O-CD 3.45Å; I133-R157 PolarHBondContact O-NE 3Å; I133-R157 PolarHBondContact O-NH1 3.24Å; I133-R157 PolarHBondContact O-NH2 3.21Å; I133-R157 VanDerWaalsContact O-NH2 3.14Å; N134-R157 PolarHBondContact OD1-NH1 3.31Å; N134-R157 VanDerWaalsContact OD1-NH1 3.13Å; N134-R157 PolarHBondContact OD1-NH2 2.93Å; L150-R157 HydrophobicContact CD1-CG 4.15Å
158L91.5Very high87.7Confident22 Ų2270.5 Ų70.512%0.11536%0.363CS..EExtended strand (participates in β ladder)trans-143.9149.3-170-75.3149.4000108.1L125 I126 T127 F151 K153L125-L158 HydrophobicContact CD1-CD2 4.4Å; I126-L158 WeakPolarHBondContact O-CA 3.2Å; T127-L158 HydrophobicContact CG2-CD2 3.63Å; F151-L158 HydrophobicContact CD1-CB 4.36Å; F151-L158 WeakPolarHBondContact CD1-O 3.37Å; F151-L158 HydrophobicContact CD2-CB 4.11Å; F151-L158 HydrophobicContact CD2-CD1 4.48Å; F151-L158 HydrophobicContact CE1-CB 3.97Å; F151-L158 HydrophobicContact CE2-CB 3.69Å; F151-L158 HydrophobicContact CE2-CD1 3.88Å; F151-L158 HydrophobicContact CE2-CG 4.39Å; F151-L158 HydrophobicContact CG-CB 4.43Å; F151-L158 HydrophobicContact CZ-CB 3.61Å; F151-L158 HydrophobicContact CZ-CD1 4.41Å; F151-L158 PolarHBondContact N-O 2.79Å; F151-L158 PolarHBondContact O-N 2.65Å; K153-L158 HydrophobicContact CB-CD1 3.49Å; K153-L158 VanDerWaalsContact CB-CD1 3.49Å
159A91.2Very high87.7Confident0 Ų071.5 Ų71.50%037%0.366CS..EExtended strand (participates in β ladder)trans-134.5153.4174.100000112.3I126 L129 L138 H149 L150I126-A159 HydrophobicContact CB-CB 4.27Å; I126-A159 HydrophobicContact CD1-CB 4.3Å; I126-A159 PolarHBondContact N-O 3.33Å; I126-A159 PolarHBondContact O-N 2.89Å; L129-A159 HydrophobicContact CD1-CB 3.87Å; L138-A159 HydrophobicContact CD2-CB 3.3Å; H149-A159 CarbonylContact O-C 3.55Å; H149-A159 VanDerWaalsContact O-CA 3.27Å; H149-A159 WeakPolarHBondContact O-CA 3.47Å; L150-A159 HydrophobicContact CD1-CB 4.02Å
160F91.3Very high87.7Confident39 Ų3968.7 Ų68.717%0.17136%0.359CS..EExtended strand (participates in β ladder)trans-119.9123.6173-159.3-97.9000108.6L124 L125 L148 H149 F151 N162 V191L124-F160 WeakPolarHBondContact O-CA 3.49Å; L125-F160 HydrophobicContact CB-CD2 4.36Å; L125-F160 HydrophobicContact CD1-CD2 4.37Å; L148-F160 CarbonylContact C-O 3.5Å; L148-F160 WeakPolarHBondContact CA-O 3.24Å; H149-F160 PolarHBondContact N-O 2.64Å; H149-F160 PolarHBondContact O-N 3.14Å; F151-F160 HydrophobicContact CE1-CB 4.25Å; F160-N162 WeakPolarHBondContact CE1-OD1 3.31Å; F160-V191 HydrophobicContact CE2-CB 3.8Å; F160-V191 HydrophobicContact CE2-CG1 3.84Å; F160-V191 HydrophobicContact CE2-CG2 4.18Å; F160-V191 HydrophobicContact CZ-CB 4.17Å; F160-V191 HydrophobicContact CZ-CG1 4.09Å
161A90.6Very high87.6Confident0 Ų070.6 Ų70.60%037%0.369CS..EExtended strand (participates in β ladder)trans-112.7138.4175.700000110.1S123 L124 A145 R147 F163S123-A161 CarbonylContact C-O 3.56Å; S123-A161 VanDerWaalsContact CA-O 3.24Å; S123-A161 WeakPolarHBondContact CA-O 3.48Å; L124-A161 HydrophobicContact CB-CB 4.49Å; L124-A161 PolarHBondContact N-O 2.86Å; L124-A161 PolarHBondContact O-N 3.34Å; A145-A161 HydrophobicContact CB-CB 4.07Å; R147-A161 CarbonylContact O-C 3.06Å; R147-A161 WeakPolarHBondContact O-CA 3.38Å; A161-F163 HydrophobicContact CB-CE1 4.42Å; A161-F163 HydrophobicContact CB-CE2 3.7Å; A161-F163 HydrophobicContact CB-CZ 3.52Å
162N89.5Confident87.6Confident36 Ų3667.5 Ų67.519%0.19336%0.355CS..EExtended strand (participates in β ladder)trans-116.1139.7174.1-105.193.5000107.7S123 A145 A146 R147 F160 R193S123-N162 VanDerWaalsContact OG-CG 3.28Å; S123-N162 PolarHBondContact OG-ND2 3.28Å; S123-N162 VanDerWaalsContact OG-ND2 3.08Å; S123-N162 PolarHBondContact OG-OD1 3.39Å; A145-N162 CarbonylContact C-O 3.55Å; A146-N162 PolarHBondContact N-O 2.83Å; R147-N162 HydrophobicContact CB-CB 3.99Å; R147-N162 PolarHBondContact N-O 3.03Å; R147-N162 PolarHBondContact O-N 2.74Å; F160-N162 WeakPolarHBondContact CE1-OD1 3.31Å; N162-R193 PolarHBondContact OD1-NH2 2.91Å
163F89.4Confident87.6Confident6 Ų659.2 Ų59.23%0.02633%0.327CS..  trans-124.1152.7-178.8-55.7-80.8000109.8L122 L124 I142 S144 A145 A161 D168 Y169 A172L122-F163 HydrophobicContact CB-CB 4.35Å; L122-F163 WeakPolarHBondContact CB-O 3.2Å; L122-F163 PolarHBondContact O-N 2.98Å; L122-F163 VanDerWaalsContact O-N 3.14Å; L124-F163 HydrophobicContact CB-CE2 3.83Å; I142-F163 HydrophobicContact CG2-CE1 3.91Å; I142-F163 HydrophobicContact CG2-CZ 4.12Å; S144-F163 WeakPolarHBondContact O-CD1 3.48Å; A145-F163 HydrophobicContact CB-CE1 3.85Å; A145-F163 HydrophobicContact CB-CZ 4.32Å; A161-F163 HydrophobicContact CB-CE1 4.42Å; A161-F163 HydrophobicContact CB-CE2 3.7Å; A161-F163 HydrophobicContact CB-CZ 3.52Å; F163-D168 HydrophobicContact CB-CB 3.96Å; F163-D168 HydrophobicContact CD1-CB 3.94Å; F163-D168 HydrophobicContact CG-CB 4.36Å; F163-Y169 AromaticContact CD2-CD2 3.84Å; F163-Y169 HydrophobicContact CD2-CD2 3.84Å; F163-Y169 HydrophobicContact CD2-CG 4.44Å; F163-Y169 HydrophobicContact CE2-CD2 4.18Å; F163-A172 HydrophobicContact CD1-CB 4.25Å; F163-A172 HydrophobicContact CE1-CB 3.31Å; F163-A172 HydrophobicContact CE2-CB 4.35Å; F163-A172 HydrophobicContact CZ-CB 3.37Å
164N84.1Confident87.8Confident127 Ų12756.5 Ų56.568%0.67933%0.325SS*.SBendtrans-94.4-30.2179.7-70.6-7.7000112L122 A146L122-N164 WeakPolarHBondContact CD1-O 3.36Å; A146-N164 HydrophobicContact CB-CB 4.46Å; A146-N164 VanDerWaalsContact CB-OD1 3.24Å; A146-N164 WeakPolarHBondContact CB-OD1 3.2Å
165T86.1Confident88.1Confident59 Ų5955.4 Ų55.436%0.36230%0.302SS..SBendtrans-120.9166.6178.7680000112.1L122 D167 D168 Y169L122-T165 WeakPolarHBondContact CD2-O 3.33Å; T165-D167 VanDerWaalsContact C-N 3.33Å; T165-D168 PolarHBondContact N-OD2 2.89Å; T165-D168 VanDerWaalsContact OG1-CB 3.31Å; T165-D168 WeakPolarHBondContact OG1-CB 3.36Å; T165-D168 PolarHBondContact OG1-N 3.38Å; T165-D168 PolarHBondContact OG1-OD2 3.18Å; T165-Y169 PolarHBondContact O-N 2.78Å
166V85.7Confident88.4Confident94 Ų9452.9 Ų52.957%0.5728%0.277SS*.Hα-helixtrans-70.8-32.9172-179.40000110.7L122 Y169 S170L122-V166 HydrophobicContact CD2-CG2 4.12Å; V166-Y169 WeakPolarHBondContact O-CB 3.43Å; V166-Y169 PolarHBondContact O-N 3.26Å; V166-S170 WeakPolarHBondContact O-CB 3.36Å; V166-S170 PolarHBondContact O-N 2.97Å; V166-S170 PolarHBondContact O-OG 3.19Å
167D87.3Confident88.4Confident123 Ų12351.9 Ų51.966%0.65827%0.274SS*.Hα-helixtrans-68-43.3177.8-52-77.1000111.8T165 Y169 S170 N171T165-D167 VanDerWaalsContact C-N 3.33Å; D167-Y169 VanDerWaalsContact C-N 3.3Å; D167-Y169 PolarHBondContact O-N 3.35Å; D167-S170 PolarHBondContact O-N 2.8Å; D167-N171 WeakPolarHBondContact O-CB 3.5Å; D167-N171 PolarHBondContact O-N 3.38Å
168D89.4Confident88.2Confident44 Ų4452.5 Ų52.524%0.23530%0.298CS..Hα-helixtrans-56.1-44.9172.3-75.7-47.7000111.8S144 F163 T165 A172S144-D168 WeakPolarHBondContact CB-OD1 3.47Å; F163-D168 HydrophobicContact CB-CB 3.96Å; F163-D168 HydrophobicContact CD1-CB 3.94Å; F163-D168 HydrophobicContact CG-CB 4.36Å; T165-D168 PolarHBondContact N-OD2 2.89Å; T165-D168 VanDerWaalsContact OG1-CB 3.31Å; T165-D168 WeakPolarHBondContact OG1-CB 3.36Å; T165-D168 PolarHBondContact OG1-N 3.38Å; T165-D168 PolarHBondContact OG1-OD2 3.18Å; D168-A172 VanDerWaalsContact O-CB 3.26Å; D168-A172 WeakPolarHBondContact O-CB 3.38Å; D168-A172 PolarHBondContact O-N 3.42Å
169Y89.3Confident87.8Confident35 Ų3553.8 Ų53.814%0.13731%0.305CS..Hα-helixtrans-63.6-43.5177171.6-85.9000111.3L122 L124 F163 T165 V166 D167 A172 T173 Q190L122-Y169 HydrophobicContact CD2-CG 4.47Å; L124-Y169 HydrophobicContact CB-CE2 4.49Å; L124-Y169 HydrophobicContact CD1-CE2 3.64Å; F163-Y169 AromaticContact CD2-CD2 3.84Å; F163-Y169 HydrophobicContact CD2-CD2 3.84Å; F163-Y169 HydrophobicContact CD2-CG 4.44Å; F163-Y169 HydrophobicContact CE2-CD2 4.18Å; T165-Y169 PolarHBondContact O-N 2.78Å; V166-Y169 WeakPolarHBondContact O-CB 3.43Å; V166-Y169 PolarHBondContact O-N 3.26Å; D167-Y169 VanDerWaalsContact C-N 3.3Å; D167-Y169 PolarHBondContact O-N 3.35Å; Y169-A172 WeakPolarHBondContact O-CB 3.46Å; Y169-A172 PolarHBondContact O-N 2.72Å; Y169-T173 HydrophobicContact CE1-CG2 4.04Å; Y169-T173 PolarHBondContact O-N 3.41Å; Y169-T173 PolarHBondContact O-OG1 2.93Å; Y169-Q190 HydrophobicContact CE2-CG 3.99Å; Y169-Q190 WeakPolarHBondContact OH-CB 3.1Å; Y169-Q190 WeakPolarHBondContact OH-CG 3.46Å
170S87.4Confident87.5Confident50 Ų5059.4 Ų59.435%0.3533%0.331SS..Hα-helixtrans-71.7-41.4-176.2-55.40000111.9V166 D167 A172 T173 S174V166-S170 WeakPolarHBondContact O-CB 3.36Å; V166-S170 PolarHBondContact O-N 2.97Å; V166-S170 PolarHBondContact O-OG 3.19Å; D167-S170 PolarHBondContact O-N 2.8Å; S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.33Å; S170-T173 WeakPolarHBondContact CA-OG1 3.41Å; S170-T173 PolarHBondContact O-N 2.97Å; S170-T173 PolarHBondContact O-OG1 3.01Å; S170-S174 PolarHBondContact O-N 3.39Å; S170-S174 PolarHBondContact O-OG 2.9Å
171N88.9Confident87Confident75 Ų7558.7 Ų58.740%0.40133%0.328SS..Hα-helixtrans-59.3-42.2171.6-166-28.3000110.7D167 R175D167-N171 WeakPolarHBondContact O-CB 3.5Å; D167-N171 PolarHBondContact O-N 3.38Å; N171-R175 WeakPolarHBondContact O-CB 3.42Å; N171-R175 VanDerWaalsContact O-CG 3.26Å; N171-R175 WeakPolarHBondContact O-CG 3.19Å; N171-R175 PolarHBondContact O-N 2.97Å; N171-R175 WeakPolarHBondContact OD1-CD 3.48Å; N171-R175 PolarHBondContact OD1-NE 2.99Å
172A89.6Confident86.4Confident0 Ų064.9 Ų64.90%036%0.361CS..Hα-helixtrans-65.6-38.8175.600000114I142 F163 D168 Y169 S170 L176I142-A172 HydrophobicContact CG2-CB 3.48Å; I142-A172 VanDerWaalsContact CG2-CB 3.48Å; F163-A172 HydrophobicContact CD1-CB 4.25Å; F163-A172 HydrophobicContact CE1-CB 3.31Å; F163-A172 HydrophobicContact CE2-CB 4.35Å; F163-A172 HydrophobicContact CZ-CB 3.37Å; D168-A172 VanDerWaalsContact O-CB 3.26Å; D168-A172 WeakPolarHBondContact O-CB 3.38Å; D168-A172 PolarHBondContact O-N 3.42Å; Y169-A172 WeakPolarHBondContact O-CB 3.46Å; Y169-A172 PolarHBondContact O-N 2.72Å; S170-A172 VanDerWaalsContact C-N 3.3Å; S170-A172 PolarHBondContact O-N 3.33Å; A172-L176 WeakPolarHBondContact O-CB 3.48Å; A172-L176 PolarHBondContact O-N 3.27Å
173T88.6Confident85.9Confident24 Ų2466.2 Ų66.215%0.14738%0.383CS..Hα-helixtrans-66.8-45.5175.145.50000111.8L124 Y169 S170 R175 L176 E177 F188L124-T173 HydrophobicContact CD1-CG2 4.04Å; L124-T173 HydrophobicContact CD2-CG2 4.47Å; Y169-T173 HydrophobicContact CE1-CG2 4.04Å; Y169-T173 PolarHBondContact O-N 3.41Å; Y169-T173 PolarHBondContact O-OG1 2.93Å; S170-T173 WeakPolarHBondContact CA-OG1 3.41Å; S170-T173 PolarHBondContact O-N 2.97Å; S170-T173 PolarHBondContact O-OG1 3.01Å; T173-R175 VanDerWaalsContact C-N 3.35Å; T173-R175 PolarHBondContact O-N 2.8Å; T173-L176 PolarHBondContact O-N 2.9Å; T173-E177 PolarHBondContact O-N 2.85Å; T173-F188 HydrophobicContact CG2-CD2 4.11Å; T173-F188 HydrophobicContact CG2-CE2 3.64Å; T173-F188 HydrophobicContact CG2-CZ 4.36Å
174S88.6Confident85.6Confident81 Ų8168.4 Ų68.457%0.56640%0.397SS*.Hα-helixtrans-62.7-40.1178.4-55.40000112.3S170 E177 G178S170-S174 PolarHBondContact O-N 3.39Å; S170-S174 PolarHBondContact O-OG 2.9Å; S174-E177 PolarHBondContact O-N 2.97Å; S174-G178 PolarHBondContact O-N 2.71Å; S174-G178 VanDerWaalsContact O-N 3.14Å
175R87.7Confident85.7Confident100 Ų10067.1 Ų67.138%0.37739%0.385SS..Hα-helixtrans-60.4-47.4172.5-75.1169.9178.7-104.7-3.4111.9A141 N171 T173 E177 G178 L179A141-R175 WeakPolarHBondContact O-CD 3.31Å; N171-R175 WeakPolarHBondContact O-CB 3.42Å; N171-R175 VanDerWaalsContact O-CG 3.26Å; N171-R175 WeakPolarHBondContact O-CG 3.19Å; N171-R175 PolarHBondContact O-N 2.97Å; N171-R175 WeakPolarHBondContact OD1-CD 3.48Å; N171-R175 PolarHBondContact OD1-NE 2.99Å; T173-R175 VanDerWaalsContact C-N 3.35Å; T173-R175 PolarHBondContact O-N 2.8Å; R175-E177 VanDerWaalsContact C-N 3.29Å; R175-E177 PolarHBondContact O-N 2.92Å; R175-G178 PolarHBondContact O-N 2.78Å; R175-L179 HydrophobicContact CB-CD1 4.49Å; R175-L179 WeakPolarHBondContact O-CB 3.25Å; R175-L179 WeakPolarHBondContact O-CD1 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.12Å; R175-L179 PolarHBondContact O-N 3.41Å
176L87Confident85.7Confident0 Ų064.6 Ų64.60%037%0.37CS..Hα-helixtrans-66.3-28.6178.8-83.9166.9000113.6L124 I126 I142 A172 T173 P186 F188L124-L176 HydrophobicContact CD2-CD1 3.41Å; L124-L176 VanDerWaalsContact CD2-CD1 3.41Å; I126-L176 HydrophobicContact CD1-CD1 3.96Å; I126-L176 HydrophobicContact CD1-CD2 4.47Å; I126-L176 HydrophobicContact CG1-CD1 3.93Å; I126-L176 HydrophobicContact CG2-CD2 4.1Å; I142-L176 HydrophobicContact CD1-CD1 3.68Å; I142-L176 HydrophobicContact CD1-CD2 3.99Å; I142-L176 HydrophobicContact CD1-CG 3.79Å; I142-L176 HydrophobicContact CG1-CG 4.35Å; A172-L176 WeakPolarHBondContact O-CB 3.48Å; A172-L176 PolarHBondContact O-N 3.27Å; T173-L176 PolarHBondContact O-N 2.9Å; L176-P186 HydrophobicContact CD2-CB 4.11Å; L176-P186 HydrophobicContact CD2-CG 3.71Å; L176-F188 HydrophobicContact CB-CD1 3.49Å; L176-F188 VanDerWaalsContact CB-CD1 3.49Å; L176-F188 HydrophobicContact CB-CE1 3.48Å; L176-F188 VanDerWaalsContact CB-CE1 3.48Å; L176-F188 HydrophobicContact CB-CG 4.34Å; L176-F188 HydrophobicContact CB-CZ 4.31Å; L176-F188 HydrophobicContact CD1-CB 4.08Å; L176-F188 HydrophobicContact CD1-CD1 3.98Å; L176-F188 HydrophobicContact CD1-CG 4.05Å; L176-F188 HydrophobicContact CG-CD1 4.26Å
177E85.5Confident85.9Confident119 Ų11963.4 Ų63.456%0.55637%0.365SS*.Hα-helixtrans-74.4-27.1173.7-108.6164.3-140.700113.2T173 S174 R175 K185 F188T173-E177 PolarHBondContact O-N 2.85Å; S174-E177 PolarHBondContact O-N 2.97Å; R175-E177 VanDerWaalsContact C-N 3.29Å; R175-E177 PolarHBondContact O-N 2.92Å; E177-K185 WeakPolarHBondContact O-CE 3.23Å; E177-K185 PolarHBondContact O-NZ 2.8Å; E177-F188 HydrophobicContact CB-CZ 4.48Å; E177-F188 HydrophobicContact CG-CE1 4.02Å; E177-F188 HydrophobicContact CG-CZ 3.85Å; E177-F188 WeakPolarHBondContact OE1-CZ 3.16Å
178G82.7Confident86Confident69 Ų6959.8 Ų59.871%0.71134%0.344SS*.Hα-helixtrans-90.2-8.4173.400000115.5S174 R175S174-G178 PolarHBondContact O-N 2.71Å; S174-G178 VanDerWaalsContact O-N 3.14Å; R175-G178 PolarHBondContact O-N 2.78Å
179L84.3Confident85.9Confident49 Ų4967 Ų6726%0.25737%0.368SS..  trans-96141.5-175.7-83.1166.2000113.3A141 R175 F181 P186A141-L179 HydrophobicContact CB-CD1 3.56Å; R175-L179 HydrophobicContact CB-CD1 4.49Å; R175-L179 WeakPolarHBondContact O-CB 3.25Å; R175-L179 WeakPolarHBondContact O-CD1 3.3Å; R175-L179 WeakPolarHBondContact O-CG 3.12Å; R175-L179 PolarHBondContact O-N 3.41Å; L179-F181 HydrophobicContact CB-CE2 4.43Å; L179-F181 HydrophobicContact CD1-CZ 4.49Å; L179-P186 WeakPolarHBondContact O-CD 3.45Å
180E84.2Confident85.8Confident117 Ų11769.4 Ų69.455%0.54738%0.38SS..  trans-134.7142.9167.3-59.8-167.5163.600109.7K185E180-K185 HydrophobicContact CG-CB 4.26Å; E180-K185 HydrophobicContact CG-CG 4.39Å
181F80.5Confident85.6Confident25 Ų2569.1 Ų69.111%0.1138%0.376CS..BIsolated β-bridgetrans-122.6119.5-179.8-62.6-87.5000109.1L129 P130 I133 L138 A141 L179 G183 V184 P186L129-F181 HydrophobicContact CD2-CE2 4.48Å; P130-F181 HydrophobicContact CG-CB 3.85Å; P130-F181 WeakPolarHBondContact CG-O 3.1Å; I133-F181 HydrophobicContact CD1-CB 3.71Å; I133-F181 HydrophobicContact CD1-CD1 3.62Å; I133-F181 HydrophobicContact CD1-CD2 3.68Å; I133-F181 HydrophobicContact CD1-CE1 4.07Å; I133-F181 HydrophobicContact CD1-CE2 4.12Å; I133-F181 HydrophobicContact CD1-CG 3.41Å; I133-F181 VanDerWaalsContact CD1-CG 3.41Å; I133-F181 HydrophobicContact CD1-CZ 4.29Å; I133-F181 HydrophobicContact CG1-CB 4.45Å; I133-F181 HydrophobicContact CG1-CD1 4.14Å; I133-F181 HydrophobicContact CG1-CG 4.32Å; L138-F181 HydrophobicContact CD1-CZ 4.23Å; A141-F181 HydrophobicContact CB-CZ 4.01Å; L179-F181 HydrophobicContact CB-CE2 4.43Å; L179-F181 HydrophobicContact CD1-CZ 4.49Å; F181-G183 PolarHBondContact O-N 2.82Å; F181-V184 PolarHBondContact N-O 3.37Å; F181-V184 WeakPolarHBondContact O-CA 3.41Å; F181-V184 VanDerWaalsContact O-CB 3.29Å; F181-V184 WeakPolarHBondContact O-CB 3.39Å; F181-V184 PolarHBondContact O-N 2.67Å; F181-P186 HydrophobicContact CD2-CG 4.29Å; F181-P186 HydrophobicContact CE2-CG 4.18Å
182D78.3Confident84.7Confident130 Ų13068.7 Ų68.770%0.69538%0.376SS*.THydrogen-bonded Turntrans49.236.7-168.1-65-2000113.4H132 V184H132-D182 IonicContact CE1-OD1 3.38Å; H132-D182 PolarHBondContact CE1-OD1 2.94Å; H132-D182 IonicContact CE1-OD2 2.95Å; H132-D182 PolarHBondContact CE1-OD2 2.62Å; H132-D182 IonicContact ND1-OD2 2.95Å; H132-D182 PolarHBondContact ND1-OD2 3.04Å; D182-V184 PolarHBondContact O-N 3.32Å
183G79.7Confident83.2Confident63 Ų6374.4 Ų74.465%0.64940%0.398SS*.THydrogen-bonded Turntrans68.313.1-173.900000114.4F181F181-G183 PolarHBondContact O-N 2.82Å
184V82.6Confident81.4Confident53 Ų5379.7 Ų79.732%0.32142%0.421SS..BIsolated β-bridgetrans-104.9111.6175-175.40000109.1N128 P130 F181 D182N128-V184 WeakPolarHBondContact ND2-CG1 3.08Å; P130-V184 HydrophobicContact CG-CB 4.12Å; P130-V184 HydrophobicContact CG-CG2 4.47Å; F181-V184 PolarHBondContact N-O 3.37Å; F181-V184 WeakPolarHBondContact O-CA 3.41Å; F181-V184 VanDerWaalsContact O-CB 3.29Å; F181-V184 WeakPolarHBondContact O-CB 3.39Å; F181-V184 PolarHBondContact O-N 2.67Å; D182-V184 PolarHBondContact O-N 3.32Å
185K86.2Confident79.2Confident100 Ų10080.5 Ų80.544%0.43542%0.419SS..  trans-68.2127.4174.4-163.3160.8-168.9151.70111N128 E177 E180N128-K185 PolarHBondContact ND2-O 3.43Å; E177-K185 WeakPolarHBondContact O-CE 3.23Å; E177-K185 PolarHBondContact O-NZ 2.8Å; E180-K185 HydrophobicContact CG-CB 4.26Å; E180-K185 HydrophobicContact CG-CG 4.39Å
186P87Confident77.1Confident6 Ų685.9 Ų85.94%0.03945%0.445CS..  trans-71.7137.6175.531.7-33.6000109.7I126 L129 L176 L179 F181I126-P186 HydrophobicContact CG2-CB 4.13Å; L129-P186 HydrophobicContact CD2-CB 4.06Å; L176-P186 HydrophobicContact CD2-CB 4.11Å; L176-P186 HydrophobicContact CD2-CG 3.71Å; L179-P186 WeakPolarHBondContact O-CD 3.45Å; F181-P186 HydrophobicContact CD2-CG 4.29Å; F181-P186 HydrophobicContact CE2-CG 4.18Å
187S88Confident74.9Confident68 Ų6890.7 Ų90.748%0.47647%0.474SS..EExtended strand (participates in β ladder)trans-107115.2178.1174.90000109.3T127T127-S187 CarbonylContact C-O 3.59Å; T127-S187 VanDerWaalsContact CA-O 3.31Å; T127-S187 WeakPolarHBondContact CA-O 3.43Å; T127-S187 VanDerWaalsContact CB-O 3.3Å; T127-S187 WeakPolarHBondContact CB-O 3.27Å; T127-S187 PolarHBondContact N-O 2.92Å; T127-S187 PolarHBondContact O-N 3.36Å; T127-S187 PolarHBondContact OG1-O 2.8Å
188F89.9Confident72.9Confident47 Ų4793.9 Ų93.921%0.20649%0.489CS..EExtended strand (participates in β ladder)trans-110.7158.8-176.758.6-92.1000112.5L124 L125 I126 T173 L176 E177L124-F188 HydrophobicContact CD1-CD2 4Å; L124-F188 HydrophobicContact CD2-CB 3.88Å; L124-F188 HydrophobicContact CD2-CD2 4.19Å; L124-F188 HydrophobicContact CD2-CG 4.2Å; L124-F188 HydrophobicContact CG-CB 4.12Å; L124-F188 HydrophobicContact CG-CD2 4.45Å; L125-F188 CarbonylContact O-C 3.57Å; L125-F188 VanDerWaalsContact O-CA 3.29Å; L125-F188 WeakPolarHBondContact O-CA 3.46Å; I126-F188 HydrophobicContact CG1-CB 4.46Å; T173-F188 HydrophobicContact CG2-CD2 4.11Å; T173-F188 HydrophobicContact CG2-CE2 3.64Å; T173-F188 HydrophobicContact CG2-CZ 4.36Å; L176-F188 HydrophobicContact CB-CD1 3.49Å; L176-F188 VanDerWaalsContact CB-CD1 3.49Å; L176-F188 HydrophobicContact CB-CE1 3.48Å; L176-F188 VanDerWaalsContact CB-CE1 3.48Å; L176-F188 HydrophobicContact CB-CG 4.34Å; L176-F188 HydrophobicContact CB-CZ 4.31Å; L176-F188 HydrophobicContact CD1-CB 4.08Å; L176-F188 HydrophobicContact CD1-CD1 3.98Å; L176-F188 HydrophobicContact CD1-CG 4.05Å; L176-F188 HydrophobicContact CG-CD1 4.26Å; E177-F188 HydrophobicContact CB-CZ 4.48Å; E177-F188 HydrophobicContact CG-CE1 4.02Å; E177-F188 HydrophobicContact CG-CZ 3.85Å; E177-F188 WeakPolarHBondContact OE1-CZ 3.16Å
189R88.3Confident71.1Confident196 Ų19696.9 Ų96.974%0.7448%0.483SS*.EExtended strand (participates in β ladder)trans-148140173-167.1-172.9173.8-155.7-4.4110.4L125 V191L125-R189 PolarHBondContact N-O 3.18Å; L125-R189 PolarHBondContact O-N 2.93Å; R189-V191 PolarHBondContact O-N 3.23Å
190Q87.3Confident69Low86 Ų86103.6 Ų103.640%0.40251%0.51SS..EExtended strand (participates in β ladder)trans-55.8133.8166.9-159.3171.927.900110.5C121 Y169C121-Q190 PolarHBondContact O-NE2 3.43Å; Y169-Q190 HydrophobicContact CE2-CG 3.99Å; Y169-Q190 WeakPolarHBondContact OH-CB 3.1Å; Y169-Q190 WeakPolarHBondContact OH-CG 3.46Å
191V81.7Confident67Low44 Ų44102.4 Ų102.427%0.26750%0.503SS..  trans-12298.6170.6176.50000107.8S123 L125 F160 R189 R193S123-V191 WeakPolarHBondContact CB-O 3.32Å; S123-V191 PolarHBondContact O-N 3.37Å; L125-V191 HydrophobicContact CB-CG2 3.48Å; L125-V191 VanDerWaalsContact CB-CG2 3.48Å; L125-V191 HydrophobicContact CD2-CG2 4.43Å; F160-V191 HydrophobicContact CE2-CB 3.8Å; F160-V191 HydrophobicContact CE2-CG1 3.84Å; F160-V191 HydrophobicContact CE2-CG2 4.18Å; F160-V191 HydrophobicContact CZ-CB 4.17Å; F160-V191 HydrophobicContact CZ-CG1 4.09Å; R189-V191 PolarHBondContact O-N 3.23Å; V191-R193 PolarHBondContact O-N 3.11Å; V191-R193 VanDerWaalsContact O-N 3.17Å
192T70.8Confident65.2Low66 Ų66106.5 Ų106.541%0.40553%0.532SS..  trans-54.9121.2158.450.10000108N120 H194N120-T192 WeakPolarHBondContact O-CA 3.33Å; T192-H194 PolarHBondContact O-N 2.86Å
193R57.9Low63.4Low119 Ų119108.1 Ų108.145%0.44954%0.535SS..  trans-67.5108.9160.7-69.7-177.4-179-133.43.7105.3N162 V191 D195N162-R193 PolarHBondContact OD1-NH2 2.91Å; V191-R193 PolarHBondContact O-N 3.11Å; V191-R193 VanDerWaalsContact O-N 3.17Å; R193-D195 VanDerWaalsContact C-N 3.26Å; R193-D195 PolarHBondContact O-N 3.34Å
194H51Low62.2Low136 Ų136107.3 Ų107.363%0.6352%0.519SS*.  trans-61.8106.1150-71.6-62.4000105.6T192 K199T192-H194 PolarHBondContact O-N 2.86Å; H194-K199 PolarHBondContact CD2-NZ 3.26Å; H194-K199 PolarHBondContact CE1-NZ 2.82Å; H194-K199 VanDerWaalsContact CE1-NZ 3.33Å; H194-K199 VanDerWaalsContact CG-CE 3.41Å; H194-K199 WeakPolarHBondContact ND1-CE 3.5Å; H194-K199 PolarHBondContact NE2-NZ 2.8Å
195D42.8Very low61Low97 Ų97106.1 Ų106.152%0.51951%0.512SS..  trans-52.4161.5158.5-87.5-32.8000109.9R193 T197R193-D195 VanDerWaalsContact C-N 3.26Å; R193-D195 PolarHBondContact O-N 3.34Å; D195-T197 HydrophobicContact CB-CG2 4.44Å; D195-T197 WeakPolarHBondContact CB-OG1 3.46Å; D195-T197 PolarHBondContact O-N 2.99Å; D195-T197 VanDerWaalsContact O-N 3.15Å
196K44.1Very low60Low214 Ų214106.3 Ų106.393%0.9351%0.514SS*.SBendtrans-79.832.8162.1-67.3-175.3178.2-179.30111.3E198K196-E198 PolarHBondContact O-N 3.47Å
197T40Very low59.8Low101 Ų101108.3 Ų108.362%0.6252%0.524SS*.SBendtrans-54.6134.5148.331.70000107.4D195 K199D195-T197 HydrophobicContact CB-CG2 4.44Å; D195-T197 WeakPolarHBondContact CB-OG1 3.46Å; D195-T197 PolarHBondContact O-N 2.99Å; D195-T197 VanDerWaalsContact O-N 3.15Å; T197-K199 PolarHBondContact O-N 2.94Å
198E44.5Very low59.7Low185 Ų185107.2 Ų107.286%0.86451%0.509SS*.  trans-57.5113.2-175.4-67.8158.1155.300108.3K196 K200K196-E198 PolarHBondContact O-N 3.47Å; E198-K200 VanDerWaalsContact C-N 3.32Å; E198-K200 PolarHBondContact O-N 2.92Å
199K43.7Very low59.6Low132 Ų132105 Ų10557%0.57450%0.499SS*.  trans-6894.8-177.8-82.2-162165.7-156.30108.5H194 T197 K201H194-K199 PolarHBondContact CD2-NZ 3.26Å; H194-K199 PolarHBondContact CE1-NZ 2.82Å; H194-K199 VanDerWaalsContact CE1-NZ 3.33Å; H194-K199 VanDerWaalsContact CG-CE 3.41Å; H194-K199 WeakPolarHBondContact ND1-CE 3.5Å; H194-K199 PolarHBondContact NE2-NZ 2.8Å; T197-K199 PolarHBondContact O-N 2.94Å; K199-K201 WeakPolarHBondContact O-CA 3.3Å; K199-K201 WeakPolarHBondContact O-CB 3.46Å; K199-K201 PolarHBondContact O-N 3.08Å
200K40.1Very low59.8Low191 Ų19195.6 Ų95.683%0.8346%0.464SS*.  trans-29.5103.3175.8-69.5-163.9170.9-159.90110.3E198E198-K200 VanDerWaalsContact C-N 3.32Å; E198-K200 PolarHBondContact O-N 2.92Å
201K42.6Very low59.9Low92 Ų9291.5 Ų91.540%0.445%0.445SS..  trans-104.4113.4-166.2-173154.5165-78.10106.2K199 E203 S204 D205K199-K201 WeakPolarHBondContact O-CA 3.3Å; K199-K201 WeakPolarHBondContact O-CB 3.46Å; K199-K201 PolarHBondContact O-N 3.08Å; K201-E203 PolarHBondContact O-N 3.28Å; K201-S204 PolarHBondContact O-N 3.31Å; K201-D205 HydrophobicContact CB-CB 4.2Å; K201-D205 WeakPolarHBondContact CD-OD2 3.18Å; K201-D205 HydrophobicContact CG-CB 4.44Å; K201-D205 IonicContact NZ-OD1 3.2Å; K201-D205 PolarHBondContact NZ-OD1 2.79Å; K201-D205 IonicContact NZ-OD2 3.09Å; K201-D205 PolarHBondContact NZ-OD2 3.07Å
202P42.4Very low60.4Low111 Ų11193.8 Ų93.872%0.72145%0.449SS*.THydrogen-bonded Turntrans-57.199.3-134.920.9-35.2000112.8S204P202-S204 WeakPolarHBondContact O-CB 3.46Å; P202-S204 PolarHBondContact O-N 2.77Å
203E41.6Very low61.3Low164 Ų16495 Ų9577%0.76645%0.453SS*.THydrogen-bonded Turntrans50.6-0.1177-64.8170.6151.500116.5K201K201-E203 PolarHBondContact O-N 3.28Å
204S52.9Low62.9Low45 Ų4589.4 Ų89.432%0.31543%0.432SS..THydrogen-bonded Turntrans-113.7-11.2-161.4-175.50000112.1K201 P202 R208K201-S204 PolarHBondContact O-N 3.31Å; P202-S204 WeakPolarHBondContact O-CB 3.46Å; P202-S204 PolarHBondContact O-N 2.77Å; S204-R208 WeakPolarHBondContact O-CD 3.5Å; S204-R208 VanDerWaalsContact O-CG 3.3Å; S204-R208 WeakPolarHBondContact O-CG 3.26Å; S204-R208 PolarHBondContact O-NE 3.35Å; S204-R208 PolarHBondContact O-NH1 3.3Å; S204-R208 PolarHBondContact OG-NH1 2.83Å; S204-R208 PolarHBondContact OG-NH2 2.88Å
205D58.2Low64.7Low29 Ų2983 Ų8316%0.15540%0.402CS..SBendtrans-92.3-20.5168.3-84.334.9000112.8K201 L207 R208K201-D205 HydrophobicContact CB-CB 4.2Å; K201-D205 WeakPolarHBondContact CD-OD2 3.18Å; K201-D205 HydrophobicContact CG-CB 4.44Å; K201-D205 IonicContact NZ-OD1 3.2Å; K201-D205 PolarHBondContact NZ-OD1 2.79Å; K201-D205 IonicContact NZ-OD2 3.09Å; K201-D205 PolarHBondContact NZ-OD2 3.07Å; D205-L207 PolarHBondContact O-N 3.46Å; D205-R208 PolarHBondContact O-N 3.15Å; D205-R208 IonicContact OD1-NH1 2.61Å; D205-R208 PolarHBondContact OD1-NH1 2.81Å
206E66.4Low66.9Low103 Ų10385.5 Ų85.548%0.48141%0.406SS..THydrogen-bonded Turntrans-73-15.9-179.3-69.5158.7-169.600112.6H254E206-H254 PolarHBondContact O-ND1 3Å
207L81.1Confident69.1Low48 Ų4879.7 Ų79.725%0.25139%0.392SS..THydrogen-bonded Turntrans-110.920.4174.5-60.3178.4000112.9D205 E250 F251 C253 H254 L257D205-L207 PolarHBondContact O-N 3.46Å; L207-E250 WeakPolarHBondContact O-CA 3.22Å; L207-F251 PolarHBondContact O-N 3.04Å; L207-C253 VanDerWaalsContact CD2-C 3.49Å; L207-H254 HydrophobicContact CD2-CB 4.02Å; L207-L257 VanDerWaalsContact C-CD1 3.4Å
208R86Confident71.3Confident45 Ų4575 Ų7517%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-119.3140.3-179.5-77.7176.5179.8130.110.2112.7S204 D205 L248 L249 E250 L257 G279S204-R208 WeakPolarHBondContact O-CD 3.5Å; S204-R208 VanDerWaalsContact O-CG 3.3Å; S204-R208 WeakPolarHBondContact O-CG 3.26Å; S204-R208 PolarHBondContact O-NE 3.35Å; S204-R208 PolarHBondContact O-NH1 3.3Å; S204-R208 PolarHBondContact OG-NH1 2.83Å; S204-R208 PolarHBondContact OG-NH2 2.88Å; D205-R208 PolarHBondContact O-N 3.15Å; D205-R208 IonicContact OD1-NH1 2.61Å; D205-R208 PolarHBondContact OD1-NH1 2.81Å; R208-L248 HydrophobicContact CB-CD1 4.09Å; R208-L248 HydrophobicContact CG-CD1 4.48Å; R208-L249 WeakPolarHBondContact CA-O 3.31Å; R208-E250 HydrophobicContact CG-CB 4.3Å; R208-E250 HydrophobicContact CG-CG 4.19Å; R208-E250 IonicContact CZ-OE1 3.25Å; R208-E250 IonicContact NE-OE1 2.77Å; R208-E250 PolarHBondContact NE-OE1 2.84Å; R208-E250 IonicContact NH2-OE1 3.63Å; R208-E250 PolarHBondContact NH2-OE1 2.75Å; R208-L257 VanDerWaalsContact N-CD1 3.33Å; R208-L257 WeakPolarHBondContact O-CD1 3.18Å; R208-G279 WeakPolarHBondContact O-CA 3.28Å; R208-G279 PolarHBondContact O-N 3.05Å
209L89.1Confident73.4Confident0 Ų069 Ų690%034%0.339CS..EExtended strand (participates in β ladder)trans-130120.1-179.7-164.467.8000110.3I211 L249 F251 L257 V260 L261 A276L209-I211 HydrophobicContact CD2-CD1 3.82Å; L209-I211 HydrophobicContact CG-CD1 3.96Å; L209-L249 HydrophobicContact CB-CB 4.4Å; L209-L249 PolarHBondContact N-O 3.32Å; L209-L249 PolarHBondContact O-N 2.86Å; L209-F251 HydrophobicContact CB-CE2 3.8Å; L209-F251 HydrophobicContact CD2-CE2 4.18Å; L209-L257 HydrophobicContact CB-CD1 4.31Å; L209-L257 HydrophobicContact CB-CG 4.36Å; L209-L257 HydrophobicContact CD1-CD2 4.41Å; L209-L257 HydrophobicContact CD1-CG 4.33Å; L209-V260 HydrophobicContact CD2-CB 4.28Å; L209-V260 HydrophobicContact CD2-CG1 3.84Å; L209-L261 HydrophobicContact CD1-CB 3.98Å; L209-L261 HydrophobicContact CD1-CD1 3.84Å; L209-L261 HydrophobicContact CD1-CG 4.17Å; L209-L261 HydrophobicContact CD2-CB 4.27Å; L209-A276 HydrophobicContact CD1-CB 4.06Å; L209-A276 HydrophobicContact CD2-CB 4.03Å; L209-A276 HydrophobicContact CG-CB 4.06Å
210T91.2Very high75.5Confident0 Ų067.2 Ų67.20%033%0.331CS..EExtended strand (participates in β ladder)trans-89.2112.9174.3-62.60000110.2R212 C247 L277 G279 H281 F282T210-R212 HydrophobicContact CG2-CG 4.15Å; T210-C247 WeakPolarHBondContact CA-O 3.46Å; T210-L277 PolarHBondContact N-O 2.68Å; T210-L277 PolarHBondContact O-N 2.92Å; T210-G279 PolarHBondContact N-O 3.35Å; T210-G279 PolarHBondContact OG1-O 2.74Å; T210-H281 HydrophobicContact CG2-CB 4.05Å; T210-H281 PolarHBondContact OG1-N 3.28Å; T210-F282 HydrophobicContact CG2-CD1 3.76Å; T210-F282 HydrophobicContact CG2-CE1 4.06Å
211I91Very high77.9Confident0 Ų062.3 Ų62.30%032%0.317CS..EExtended strand (participates in β ladder)trans-88.3137.8171.5-46.1-57.1000109.8L209 L214 F227 S246 C247 L249 V274 S275 A276L209-I211 HydrophobicContact CD2-CD1 3.82Å; L209-I211 HydrophobicContact CG-CD1 3.96Å; I211-L214 HydrophobicContact CB-CD1 4.33Å; I211-L214 HydrophobicContact CG2-CD1 4.21Å; I211-L214 HydrophobicContact CG2-CD2 3.8Å; I211-L214 HydrophobicContact CG2-CG 3.97Å; I211-F227 HydrophobicContact CG1-CZ 4.49Å; I211-S246 CarbonylContact O-C 3.57Å; I211-S246 WeakPolarHBondContact O-CA 3.1Å; I211-S246 WeakPolarHBondContact O-CB 3.41Å; I211-C247 PolarHBondContact N-O 3.08Å; I211-C247 PolarHBondContact O-N 3.35Å; I211-L249 HydrophobicContact CD1-CD1 4.02Å; I211-L249 HydrophobicContact CG1-CD1 3.74Å; I211-L249 HydrophobicContact CG1-CG 3.99Å; I211-V274 HydrophobicContact CG2-CB 3.93Å; I211-V274 HydrophobicContact CG2-CG1 4.44Å; I211-V274 HydrophobicContact CG2-CG2 4.36Å; I211-S275 CarbonylContact C-O 3.52Å; I211-A276 HydrophobicContact CD1-CB 3.67Å
212R90.9Very high80.2Confident91 Ų9161 Ų6134%0.34331%0.313SS..EExtended strand (participates in β ladder)trans-128.9165.6179.5-67.1-173.4163.2-156.6-0.3111.8T210 L214 G245 V274 S275 H281T210-R212 HydrophobicContact CG2-CG 4.15Å; R212-L214 PolarHBondContact O-N 3.06Å; R212-G245 CarbonylContact C-O 3.56Å; R212-V274 WeakPolarHBondContact O-CA 3.28Å; R212-S275 PolarHBondContact N-O 2.91Å; R212-S275 PolarHBondContact O-N 2.77Å; R212-H281 PolarHBondContact NH2-CD2 3.18Å; R212-H281 VanDerWaalsContact NH2-CD2 3.3Å; R212-H281 PolarHBondContact NH2-CE1 2.83Å; R212-H281 VanDerWaalsContact NH2-CE1 3.35Å; R212-H281 VanDerWaalsContact NH2-CG 3.25Å; R212-H281 PolarHBondContact NH2-ND1 2.88Å; R212-H281 PolarHBondContact NH2-NE2 2.87Å; R212-H281 PolarHBondContact NH2-O 2.85Å
213N91Very high82.5Confident91 Ų9155.8 Ų55.849%0.48728%0.278SS..SBendtrans63.423.8-176.4-159.840.8000114.8G245 R272 R273N213-G245 PolarHBondContact N-O 3.18Å; N213-R272 WeakPolarHBondContact O-CB 3.28Å; N213-R272 WeakPolarHBondContact O-CD 3.21Å; N213-R273 PolarHBondContact ND2-O 2.95Å
214L90.8Very high84.8Confident3 Ų351.7 Ų51.72%0.01626%0.26CS..  trans-66.5150.7172.6-63170.5000111I211 R212 I218 L223 G245 C247 I269 V274I211-L214 HydrophobicContact CB-CD1 4.33Å; I211-L214 HydrophobicContact CG2-CD1 4.21Å; I211-L214 HydrophobicContact CG2-CD2 3.8Å; I211-L214 HydrophobicContact CG2-CG 3.97Å; R212-L214 PolarHBondContact O-N 3.06Å; L214-I218 HydrophobicContact CB-CD1 4.44Å; L214-I218 HydrophobicContact CB-CG2 4.21Å; L214-I218 HydrophobicContact CD2-CD1 3.97Å; L214-L223 HydrophobicContact CD1-CD1 4.27Å; L214-L223 HydrophobicContact CD1-CD2 3.93Å; L214-L223 HydrophobicContact CD2-CD2 4.16Å; L214-G245 PolarHBondContact N-O 3.02Å; L214-G245 WeakPolarHBondContact O-CA 3.42Å; L214-C247 HydrophobicContact CD1-CB 4.03Å; L214-I269 HydrophobicContact CD2-CD1 4Å; L214-V274 HydrophobicContact CD2-CG1 3.77Å
215P88.6Confident86.5Confident0 Ų055.8 Ų55.80%028%0.278CS..  trans-52.9139.5169.1-2433.5000112.2S217 I218 I269P215-S217 PolarHBondContact O-N 3.3Å; P215-I218 HydrophobicContact CB-CB 4.42Å; P215-I218 WeakPolarHBondContact O-CB 3.28Å; P215-I218 VanDerWaalsContact O-CG2 3.23Å; P215-I218 WeakPolarHBondContact O-CG2 3.36Å; P215-I218 PolarHBondContact O-N 2.72Å; P215-I269 HydrophobicContact CG-CG2 4.32Å
216Y89.9Confident87.8Confident151 Ų15157.5 Ų57.559%0.59229%0.285SS*.THydrogen-bonded Turntrans-66.5-19.6175.5-60.5-59.5000113.1N243Y216-N243 WeakPolarHBondContact CD1-O 3.48Å; Y216-N243 WeakPolarHBondContact O-CB 3.24Å; Y216-N243 PolarHBondContact O-ND2 2.94Å
217S88.6Confident88.9Confident92 Ų9253 Ų5364%0.64326%0.264SS*.THydrogen-bonded Turntrans-78.9-15.2175.549.90000114.6P215 T219P215-S217 PolarHBondContact O-N 3.3Å; S217-T219 PolarHBondContact O-N 3.21Å
218I86.8Confident89.2Confident3 Ų355.8 Ų55.82%0.01529%0.285CS..  trans-59.7130.6-166.6-158.8170000112.2L214 P215 E222 L223 N243 I269L214-I218 HydrophobicContact CB-CD1 4.44Å; L214-I218 HydrophobicContact CB-CG2 4.21Å; L214-I218 HydrophobicContact CD2-CD1 3.97Å; P215-I218 HydrophobicContact CB-CB 4.42Å; P215-I218 WeakPolarHBondContact O-CB 3.28Å; P215-I218 VanDerWaalsContact O-CG2 3.23Å; P215-I218 WeakPolarHBondContact O-CG2 3.36Å; P215-I218 PolarHBondContact O-N 2.72Å; I218-E222 HydrophobicContact CG1-CB 3.83Å; I218-E222 WeakPolarHBondContact CG1-OE2 3.38Å; I218-L223 HydrophobicContact CD1-CD1 4.35Å; I218-L223 HydrophobicContact CD1-CD2 3.61Å; I218-L223 HydrophobicContact CD1-CG 3.65Å; I218-L223 HydrophobicContact CG1-CG 4.08Å; I218-L223 HydrophobicContact CG2-CD1 4.35Å; I218-N243 PolarHBondContact O-ND2 3.02Å; I218-I269 HydrophobicContact CD1-CG2 3.99Å
219T88.8Confident89.2Confident59 Ų5956.8 Ų56.836%0.36230%0.296SS..  trans-84.7171.5174.6610000112.1S217 T221 E222 L223S217-T219 PolarHBondContact O-N 3.21Å; T219-T221 PolarHBondContact OG1-OG1 3.33Å; T219-E222 VanDerWaalsContact CB-OE1 3.24Å; T219-E222 WeakPolarHBondContact CB-OE1 3.4Å; T219-E222 WeakPolarHBondContact CG2-OE1 3.42Å; T219-E222 PolarHBondContact N-OE1 3Å; T219-E222 VanDerWaalsContact OG1-CD 3.25Å; T219-E222 VanDerWaalsContact OG1-CG 3.31Å; T219-E222 WeakPolarHBondContact OG1-CG 3.18Å; T219-E222 PolarHBondContact OG1-N 2.65Å; T219-E222 PolarHBondContact OG1-OE1 3.06Å; T219-L223 PolarHBondContact O-N 3.17Å
220K88.7Confident89.1Confident94 Ų9457.6 Ų57.641%0.40930%0.303SS..Hα-helixtrans-70.8-38.1172.8-171.7176.5166-73.90111.2L223 E224 I235K220-L223 WeakPolarHBondContact O-CB 3.49Å; K220-L223 PolarHBondContact O-N 3.41Å; K220-L223 VanDerWaalsContact O-N 3.14Å; K220-E224 IonicContact NZ-OE1 3.57Å; K220-E224 PolarHBondContact NZ-OE1 2.98Å; K220-E224 IonicContact NZ-OE2 2.77Å; K220-E224 PolarHBondContact NZ-OE2 3.1Å; K220-E224 WeakPolarHBondContact O-CG 3.19Å; K220-E224 PolarHBondContact O-N 3.1Å; K220-I235 HydrophobicContact CB-CD1 4.07Å
221T89.9Confident88.9Confident87 Ų8763.7 Ų63.753%0.53433%0.329SS..Hα-helixtrans-60.7-47.2174.938.90000112.1T219 L223 E224 D225T219-T221 PolarHBondContact OG1-OG1 3.33Å; T221-L223 PolarHBondContact O-N 2.73Å; T221-L223 VanDerWaalsContact O-N 3.15Å; T221-E224 WeakPolarHBondContact O-CA 3.4Å; T221-E224 PolarHBondContact O-N 2.96Å; T221-D225 PolarHBondContact O-N 3.24Å
222E90.3Very high88.6Confident66 Ų6665.1 Ų65.131%0.30834%0.339SS..Hα-helixtrans-55.9-33.9173.8-77.7156.9-106.700112.7I218 T219 E226I218-E222 HydrophobicContact CG1-CB 3.83Å; I218-E222 WeakPolarHBondContact CG1-OE2 3.38Å; T219-E222 VanDerWaalsContact CB-OE1 3.24Å; T219-E222 WeakPolarHBondContact CB-OE1 3.4Å; T219-E222 WeakPolarHBondContact CG2-OE1 3.42Å; T219-E222 PolarHBondContact N-OE1 3Å; T219-E222 VanDerWaalsContact OG1-CD 3.25Å; T219-E222 VanDerWaalsContact OG1-CG 3.31Å; T219-E222 WeakPolarHBondContact OG1-CG 3.18Å; T219-E222 PolarHBondContact OG1-N 2.65Å; T219-E222 PolarHBondContact OG1-OE1 3.06Å; E222-E226 WeakPolarHBondContact O-CB 3.29Å; E222-E226 WeakPolarHBondContact O-CG 3.44Å; E222-E226 PolarHBondContact O-N 3.12Å
223L90.2Very high88.5Confident0 Ų061.4 Ų61.40%033%0.326CS..Hα-helixtrans-78.6-25.8176-77.1168.7000113.6L214 I218 T219 K220 T221 F227 I233 I235 C247L214-L223 HydrophobicContact CD1-CD1 4.27Å; L214-L223 HydrophobicContact CD1-CD2 3.93Å; L214-L223 HydrophobicContact CD2-CD2 4.16Å; I218-L223 HydrophobicContact CD1-CD1 4.35Å; I218-L223 HydrophobicContact CD1-CD2 3.61Å; I218-L223 HydrophobicContact CD1-CG 3.65Å; I218-L223 HydrophobicContact CG1-CG 4.08Å; I218-L223 HydrophobicContact CG2-CD1 4.35Å; T219-L223 PolarHBondContact O-N 3.17Å; K220-L223 WeakPolarHBondContact O-CB 3.49Å; K220-L223 PolarHBondContact O-N 3.41Å; K220-L223 VanDerWaalsContact O-N 3.14Å; T221-L223 PolarHBondContact O-N 2.73Å; T221-L223 VanDerWaalsContact O-N 3.15Å; L223-F227 HydrophobicContact CD2-CD2 3.85Å; L223-F227 HydrophobicContact CD2-CE2 3.73Å; L223-F227 WeakPolarHBondContact O-CB 3.32Å; L223-F227 WeakPolarHBondContact O-CD2 3.31Å; L223-F227 PolarHBondContact O-N 3.04Å; L223-I233 HydrophobicContact CB-CD1 4.02Å; L223-I233 HydrophobicContact CB-CG2 3.92Å; L223-I233 HydrophobicContact CD1-CG2 4.01Å; L223-I233 VanDerWaalsContact O-CD1 3.22Å; L223-I233 WeakPolarHBondContact O-CD1 3.46Å; L223-I235 HydrophobicContact CD1-CD1 3.91Å; L223-I235 HydrophobicContact CD1-CG1 3.81Å; L223-C247 HydrophobicContact CD1-CB 3.89Å
224E90.5Very high88.3Confident79 Ų7959.3 Ų59.337%0.36931%0.314SS..Hα-helixtrans-75.7-40.3174.4-69.9173.2126.400110.3K220 T221 F227 P228 I233K220-E224 IonicContact NZ-OE1 3.57Å; K220-E224 PolarHBondContact NZ-OE1 2.98Å; K220-E224 IonicContact NZ-OE2 2.77Å; K220-E224 PolarHBondContact NZ-OE2 3.1Å; K220-E224 WeakPolarHBondContact O-CG 3.19Å; K220-E224 PolarHBondContact O-N 3.1Å; T221-E224 WeakPolarHBondContact O-CA 3.4Å; T221-E224 PolarHBondContact O-N 2.96Å; E224-F227 CarbonylContact O-C 3.56Å; E224-P228 WeakPolarHBondContact O-CA 3.5Å; E224-I233 HydrophobicContact CB-CD1 4.48Å; E224-I233 HydrophobicContact CG-CD1 3.75Å; E224-I233 HydrophobicContact CG-CG1 4.44Å
225D88.7Confident88.3Confident131 Ų13160.8 Ų60.870%0.70132%0.322SS*.Hα-helixtrans-64.8-40.3172.2-60.4-37.1000111.9T221T221-D225 PolarHBondContact O-N 3.24Å
226E86.2Confident88.3Confident65 Ų6561.3 Ų61.330%0.30433%0.325SS..Hα-helixtrans-80.6-18.1-179.5-72.3-85.2-134.800114.1E222 K267 I269E222-E226 WeakPolarHBondContact O-CB 3.29Å; E222-E226 WeakPolarHBondContact O-CG 3.44Å; E222-E226 PolarHBondContact O-N 3.12Å; E226-K267 PolarHBondContact O-NZ 2.97Å; E226-K267 WeakPolarHBondContact OE2-CE 3.24Å; E226-K267 IonicContact OE2-NZ 2.71Å; E226-K267 PolarHBondContact OE2-NZ 3.21Å; E226-I269 HydrophobicContact CB-CD1 4.22Å; E226-I269 HydrophobicContact CG-CD1 4.12Å; E226-I269 WeakPolarHBondContact OE1-CG1 3.11Å
227F88.3Confident88.1Confident7 Ų756.7 Ų56.73%0.03131%0.312CS..  trans-140.861.3-178.8-57.5-69.1000112.4I211 L223 E224 T229 A230 L249 V260 C264 K267 I269I211-F227 HydrophobicContact CG1-CZ 4.49Å; L223-F227 HydrophobicContact CD2-CD2 3.85Å; L223-F227 HydrophobicContact CD2-CE2 3.73Å; L223-F227 WeakPolarHBondContact O-CB 3.32Å; L223-F227 WeakPolarHBondContact O-CD2 3.31Å; L223-F227 PolarHBondContact O-N 3.04Å; E224-F227 CarbonylContact O-C 3.56Å; F227-T229 PolarHBondContact O-N 3.28Å; F227-T229 VanDerWaalsContact O-N 3.1Å; F227-A230 HydrophobicContact CB-CB 4.28Å; F227-A230 VanDerWaalsContact O-CB 3.31Å; F227-A230 WeakPolarHBondContact O-CB 3.47Å; F227-A230 PolarHBondContact O-N 3.23Å; F227-L249 HydrophobicContact CB-CD1 3.93Å; F227-L249 HydrophobicContact CB-CD2 4.31Å; F227-L249 HydrophobicContact CD1-CD1 3.86Å; F227-L249 HydrophobicContact CD2-CD1 3.92Å; F227-L249 HydrophobicContact CD2-CD2 4.27Å; F227-L249 HydrophobicContact CE1-CD1 4.37Å; F227-L249 HydrophobicContact CE2-CD1 4.4Å; F227-L249 HydrophobicContact CG-CD1 3.62Å; F227-L249 HydrophobicContact CG-CD2 4.43Å; F227-V260 HydrophobicContact CD1-CG1 3.6Å; F227-V260 HydrophobicContact CE1-CG1 3.83Å; F227-C264 WeakPolarHBondContact CE1-SG 3.01Å; F227-K267 HydrophobicContact CE1-CD 4.29Å; F227-K267 HydrophobicContact CZ-CD 4.39Å; F227-I269 HydrophobicContact CE2-CD1 4.01Å; F227-I269 HydrophobicContact CZ-CD1 4.11Å
228P87.4Confident87.9Confident107 Ų10757.1 Ų57.170%0.69530%0.303SS*.THydrogen-bonded Turntrans-63.6-21.2-173.825.9-35.9000114E224 A230E224-P228 WeakPolarHBondContact O-CA 3.5Å; P228-A230 PolarHBondContact O-N 3.48Å
229T86.5Confident87.7Confident67 Ų6766.4 Ų66.441%0.41134%0.343SS..THydrogen-bonded Turntrans-74.5-10.1175.2-23.70000113.5F227 K231 F251 D256F227-T229 PolarHBondContact O-N 3.28Å; F227-T229 VanDerWaalsContact O-N 3.1Å; T229-K231 PolarHBondContact O-N 2.94Å; T229-F251 VanDerWaalsContact O-CD1 3.31Å; T229-F251 WeakPolarHBondContact O-CD1 3.42Å; T229-D256 HydrophobicContact CG2-CB 3.76Å; T229-D256 WeakPolarHBondContact CG2-OD1 3.19Å
230A86.3Confident87.3Confident17 Ų1768.8 Ų68.814%0.1436%0.357CS..  trans-81.8114.2-177.900000112F227 P228 S232 I233 L249 E250 F251F227-A230 HydrophobicContact CB-CB 4.28Å; F227-A230 VanDerWaalsContact O-CB 3.31Å; F227-A230 WeakPolarHBondContact O-CB 3.47Å; F227-A230 PolarHBondContact O-N 3.23Å; P228-A230 PolarHBondContact O-N 3.48Å; A230-S232 VanDerWaalsContact C-N 3.27Å; A230-S232 PolarHBondContact O-N 2.8Å; A230-I233 HydrophobicContact CB-CD1 4.07Å; A230-I233 HydrophobicContact CB-CG1 3.94Å; A230-L249 HydrophobicContact CB-CB 4.04Å; A230-L249 HydrophobicContact CB-CD2 3.94Å; A230-L249 HydrophobicContact CB-CG 4.38Å; A230-E250 CarbonylContact C-O 3.57Å; A230-F251 HydrophobicContact CB-CE1 4.01Å; A230-F251 HydrophobicContact CB-CZ 4.22Å
231K86.6Confident86.9Confident128 Ų12866.7 Ų66.756%0.55736%0.362SS*.SBendtrans-64.5-26.3178.3-177.4166.8-179.3156.10113.8T229 E250 E252T229-K231 PolarHBondContact O-N 2.94Å; K231-E250 WeakPolarHBondContact CA-O 3.4Å; K231-E250 WeakPolarHBondContact CB-O 3.49Å; K231-E250 PolarHBondContact N-O 3.22Å; K231-E252 HydrophobicContact CD-CB 4.3Å; K231-E252 IonicContact NZ-OE1 2.56Å; K231-E252 PolarHBondContact NZ-OE1 3.05Å; K231-E252 IonicContact NZ-OE2 3.04Å; K231-E252 PolarHBondContact NZ-OE2 3.28Å
232S84.7Confident86.6Confident30 Ų3066.2 Ų66.221%0.2136%0.359CS..EExtended strand (participates in β ladder)trans-151.6140.7173.4-1760000111.3A230 L249 E250A230-S232 VanDerWaalsContact C-N 3.27Å; A230-S232 PolarHBondContact O-N 2.8Å; S232-L249 WeakPolarHBondContact O-CA 3.13Å; S232-E250 PolarHBondContact N-O 2.95Å; S232-E250 PolarHBondContact O-N 2.87Å
233I88.9Confident86.5Confident12 Ų1264.4 Ų64.46%0.06235%0.352CS..EExtended strand (participates in β ladder)trans-126.6116.5-178.6-54.7-164.8000110.1L223 E224 A230 L248 L249L223-I233 HydrophobicContact CB-CD1 4.02Å; L223-I233 HydrophobicContact CB-CG2 3.92Å; L223-I233 HydrophobicContact CD1-CG2 4.01Å; L223-I233 VanDerWaalsContact O-CD1 3.22Å; L223-I233 WeakPolarHBondContact O-CD1 3.46Å; E224-I233 HydrophobicContact CB-CD1 4.48Å; E224-I233 HydrophobicContact CG-CD1 3.75Å; E224-I233 HydrophobicContact CG-CG1 4.44Å; A230-I233 HydrophobicContact CB-CD1 4.07Å; A230-I233 HydrophobicContact CB-CG1 3.94Å; I233-L248 WeakPolarHBondContact CA-O 3.18Å; I233-L249 HydrophobicContact CB-CD2 4.29Å; I233-L249 HydrophobicContact CD1-CD2 3.71Å; I233-L249 HydrophobicContact CG1-CD2 3.67Å; I233-L249 HydrophobicContact CG2-CD2 4Å
234I88Confident86.4Confident47 Ų4768 Ų6824%0.24137%0.367CS..EExtended strand (participates in β ladder)trans-117.9108-178.2-53.9179.4000109.9C247 L248I234-C247 CarbonylContact O-C 3.42Å; I234-C247 VanDerWaalsContact O-CA 3.27Å; I234-C247 WeakPolarHBondContact O-CA 3.32Å; I234-L248 HydrophobicContact CB-CB 4.3Å; I234-L248 HydrophobicContact CD1-CD2 4.42Å; I234-L248 PolarHBondContact N-O 3.14Å; I234-L248 PolarHBondContact O-N 3.46Å
235I89.4Confident86.3Confident34 Ų3464.5 Ų64.517%0.17435%0.353CS..EExtended strand (participates in β ladder)trans-78.3134.7178.9-54.7179.1000111.1K220 L223 T237 N243 C247K220-I235 HydrophobicContact CB-CD1 4.07Å; L223-I235 HydrophobicContact CD1-CD1 3.91Å; L223-I235 HydrophobicContact CD1-CG1 3.81Å; I235-T237 HydrophobicContact CG2-CG2 4.44Å; I235-T237 PolarHBondContact O-N 2.79Å; I235-T237 VanDerWaalsContact O-N 3.11Å; I235-N243 HydrophobicContact CG2-CB 4.28Å; I235-N243 VanDerWaalsContact CG2-OD1 3.3Å; I235-N243 WeakPolarHBondContact CG2-OD1 3.49Å; I235-C247 HydrophobicContact CG1-CB 4.42Å
236N88.7Confident86.4Confident12 Ų1258.9 Ų58.96%0.06432%0.323CS..EExtended strand (participates in β ladder)trans-79.290.4-179.2-173.24.9000111.5K244 S246 F282N236-K244 HydrophobicContact CB-CB 4.48Å; N236-K244 VanDerWaalsContact O-CB 3.26Å; N236-K244 WeakPolarHBondContact O-CB 3.48Å; N236-K244 VanDerWaalsContact O-CG 3.28Å; N236-K244 WeakPolarHBondContact O-CG 3.49Å; N236-K244 PolarHBondContact O-N 3.13Å; N236-K244 WeakPolarHBondContact OD1-CD 3.36Å; N236-K244 VanDerWaalsContact OD1-CE 3.31Å; N236-K244 WeakPolarHBondContact OD1-CE 3.24Å; N236-K244 PolarHBondContact OD1-NZ 2.92Å; N236-S246 WeakPolarHBondContact CB-O 3.41Å; N236-S246 WeakPolarHBondContact CB-OG 3.31Å; N236-S246 PolarHBondContact N-O 3.42Å; N236-S246 PolarHBondContact ND2-OG 2.82Å; N236-F282 HydrophobicContact CB-CD1 4.43Å; N236-F282 HydrophobicContact CB-CD2 3.85Å; N236-F282 HydrophobicContact CB-CE1 4.26Å; N236-F282 HydrophobicContact CB-CE2 3.65Å; N236-F282 HydrophobicContact CB-CG 4.24Å; N236-F282 HydrophobicContact CB-CZ 3.87Å; N236-F282 WeakPolarHBondContact ND2-CG 3.35Å
237T87.5Confident86.6Confident54 Ų5455.8 Ų55.833%0.33131%0.309SS..EExtended strand (participates in β ladder)trans-91.2150.7-177.458.90000114.2I235 G241 K244 K285I235-T237 HydrophobicContact CG2-CG2 4.44Å; I235-T237 PolarHBondContact O-N 2.79Å; I235-T237 VanDerWaalsContact O-N 3.11Å; T237-G241 WeakPolarHBondContact CB-O 3.49Å; T237-G241 VanDerWaalsContact CG2-O 3.29Å; T237-G241 WeakPolarHBondContact CG2-O 3.36Å; T237-K244 VanDerWaalsContact O-CE 3.32Å; T237-K244 WeakPolarHBondContact O-CE 3.47Å; T237-K285 PolarHBondContact O-NZ 3.22Å
238K83.4Confident86.7Confident101 Ų10155.6 Ų55.644%0.43931%0.308SS..  trans-73.2168.2166.2-66.6178-175.3170.70110T240 G241 V242 K244K238-T240 WeakPolarHBondContact CB-OG1 3.48Å; K238-T240 PolarHBondContact O-N 2.86Å; K238-G241 PolarHBondContact O-N 3.13Å; K238-V242 WeakPolarHBondContact CB-O 3.39Å; K238-V242 HydrophobicContact CD-CB 4.35Å; K238-V242 WeakPolarHBondContact CG-O 3.4Å; K238-V242 PolarHBondContact N-O 3.26Å; K238-K244 HydrophobicContact CG-CD 4.4Å; K238-K244 HydrophobicContact CG-CG 3.73Å
239K82.2Confident86.9Confident198 Ų19850.5 Ų50.586%0.86128%0.275SS*.THydrogen-bonded Turntrans-62.2-9.8171.5-66.5-173178.9-177.40113.3
240T80.6Confident87Confident108 Ų10849.8 Ų49.866%0.66327%0.267SS*.THydrogen-bonded Turntrans-101.817.7179.657.80000112.5K238 V242K238-T240 WeakPolarHBondContact CB-OG1 3.48Å; K238-T240 PolarHBondContact O-N 2.86Å; T240-V242 PolarHBondContact O-N 2.91Å
241G80.7Confident87Confident50 Ų5049.2 Ų49.252%0.51526%0.262SS..SBendtrans75.3-37.1-174.200000114.8T237 K238 N243T237-G241 WeakPolarHBondContact CB-O 3.49Å; T237-G241 VanDerWaalsContact CG2-O 3.29Å; T237-G241 WeakPolarHBondContact CG2-O 3.36Å; K238-G241 PolarHBondContact O-N 3.13Å; G241-N243 PolarHBondContact O-N 2.89Å
242V83.1Confident86.9Confident78 Ų7849.5 Ų49.547%0.47327%0.265SS..  trans-51.6128.1-176.4-1780000113.1K238 T240K238-V242 WeakPolarHBondContact CB-O 3.39Å; K238-V242 HydrophobicContact CD-CB 4.35Å; K238-V242 WeakPolarHBondContact CG-O 3.4Å; K238-V242 PolarHBondContact N-O 3.26Å; T240-V242 PolarHBondContact O-N 2.91Å
243N87.7Confident86.9Confident27 Ų2750.4 Ų50.414%0.14427%0.271CS..EExtended strand (participates in β ladder)trans-59.2148.8176.4-63.3-24.6000112.5Y216 I218 I235 G241Y216-N243 WeakPolarHBondContact CD1-O 3.48Å; Y216-N243 WeakPolarHBondContact O-CB 3.24Å; Y216-N243 PolarHBondContact O-ND2 2.94Å; I218-N243 PolarHBondContact O-ND2 3.02Å; I235-N243 HydrophobicContact CG2-CB 4.28Å; I235-N243 VanDerWaalsContact CG2-OD1 3.3Å; I235-N243 WeakPolarHBondContact CG2-OD1 3.49Å; G241-N243 PolarHBondContact O-N 2.89Å
244K89Confident86.7Confident76 Ų7654.7 Ų54.733%0.3329%0.29SS..EExtended strand (participates in β ladder)trans-100.618.3173.2-59.5-177.4-150.9151.60113.8N236 T237 K238 S246N236-K244 HydrophobicContact CB-CB 4.48Å; N236-K244 VanDerWaalsContact O-CB 3.26Å; N236-K244 WeakPolarHBondContact O-CB 3.48Å; N236-K244 VanDerWaalsContact O-CG 3.28Å; N236-K244 WeakPolarHBondContact O-CG 3.49Å; N236-K244 PolarHBondContact O-N 3.13Å; N236-K244 WeakPolarHBondContact OD1-CD 3.36Å; N236-K244 VanDerWaalsContact OD1-CE 3.31Å; N236-K244 WeakPolarHBondContact OD1-CE 3.24Å; N236-K244 PolarHBondContact OD1-NZ 2.92Å; T237-K244 VanDerWaalsContact O-CE 3.32Å; T237-K244 WeakPolarHBondContact O-CE 3.47Å; K238-K244 HydrophobicContact CG-CD 4.4Å; K238-K244 HydrophobicContact CG-CG 3.73Å; K244-S246 VanDerWaalsContact C-N 3.27Å; K244-S246 PolarHBondContact O-N 2.85Å; K244-S246 PolarHBondContact O-OG 3.15Å
245G88.9Confident86.6Confident6 Ų657.8 Ų57.86%0.06231%0.307CS..EExtended strand (participates in β ladder)trans62.234.3-178.200000113.4R212 N213 L214R212-G245 CarbonylContact C-O 3.56Å; N213-G245 PolarHBondContact N-O 3.18Å; L214-G245 PolarHBondContact N-O 3.02Å; L214-G245 WeakPolarHBondContact O-CA 3.42Å
246S90Very high86.5Confident12 Ų1258.7 Ų58.78%0.08431%0.312CS..EExtended strand (participates in β ladder)trans-150.6149.6175.235.60000111.1I211 N236 K244I211-S246 CarbonylContact O-C 3.57Å; I211-S246 WeakPolarHBondContact O-CA 3.1Å; I211-S246 WeakPolarHBondContact O-CB 3.41Å; N236-S246 WeakPolarHBondContact CB-O 3.41Å; N236-S246 WeakPolarHBondContact CB-OG 3.31Å; N236-S246 PolarHBondContact N-O 3.42Å; N236-S246 PolarHBondContact ND2-OG 2.82Å; K244-S246 VanDerWaalsContact C-N 3.27Å; K244-S246 PolarHBondContact O-N 2.85Å; K244-S246 PolarHBondContact O-OG 3.15Å
247C90.7Very high86.4Confident0 Ų058.4 Ų58.40%031%0.311CS..EExtended strand (participates in β ladder)trans-137.4168.5171.472.10000110.1T210 I211 L214 L223 I234 I235T210-C247 WeakPolarHBondContact CA-O 3.46Å; I211-C247 PolarHBondContact N-O 3.08Å; I211-C247 PolarHBondContact O-N 3.35Å; L214-C247 HydrophobicContact CD1-CB 4.03Å; L223-C247 HydrophobicContact CD1-CB 3.89Å; I234-C247 CarbonylContact O-C 3.42Å; I234-C247 VanDerWaalsContact O-CA 3.27Å; I234-C247 WeakPolarHBondContact O-CA 3.32Å; I235-C247 HydrophobicContact CG1-CB 4.42Å
248L90.7Very high86.3Confident4 Ų459.4 Ų59.42%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-111.5129.5166.1-173.774.8000107.6R208 I233 I234 L280 F282 I284R208-L248 HydrophobicContact CB-CD1 4.09Å; R208-L248 HydrophobicContact CG-CD1 4.48Å; I233-L248 WeakPolarHBondContact CA-O 3.18Å; I234-L248 HydrophobicContact CB-CB 4.3Å; I234-L248 HydrophobicContact CD1-CD2 4.42Å; I234-L248 PolarHBondContact N-O 3.14Å; I234-L248 PolarHBondContact O-N 3.46Å; L248-L280 HydrophobicContact CD1-CB 4.45Å; L248-L280 HydrophobicContact CD1-CD1 3.77Å; L248-L280 HydrophobicContact CD2-CD1 4.03Å; L248-L280 HydrophobicContact CG-CD1 4.41Å; L248-F282 HydrophobicContact CB-CE1 3.85Å; L248-F282 HydrophobicContact CB-CZ 3.78Å; L248-I284 HydrophobicContact CD2-CD1 3.78Å
249L90.3Very high86.5Confident0 Ų059.5 Ų59.50%032%0.321CS..EExtended strand (participates in β ladder)trans-100.7145.4165-51.6178.4000108.2R208 L209 I211 F227 A230 S232 I233 F251 V260R208-L249 WeakPolarHBondContact CA-O 3.31Å; L209-L249 HydrophobicContact CB-CB 4.4Å; L209-L249 PolarHBondContact N-O 3.32Å; L209-L249 PolarHBondContact O-N 2.86Å; I211-L249 HydrophobicContact CD1-CD1 4.02Å; I211-L249 HydrophobicContact CG1-CD1 3.74Å; I211-L249 HydrophobicContact CG1-CG 3.99Å; F227-L249 HydrophobicContact CB-CD1 3.93Å; F227-L249 HydrophobicContact CB-CD2 4.31Å; F227-L249 HydrophobicContact CD1-CD1 3.86Å; F227-L249 HydrophobicContact CD2-CD1 3.92Å; F227-L249 HydrophobicContact CD2-CD2 4.27Å; F227-L249 HydrophobicContact CE1-CD1 4.37Å; F227-L249 HydrophobicContact CE2-CD1 4.4Å; F227-L249 HydrophobicContact CG-CD1 3.62Å; F227-L249 HydrophobicContact CG-CD2 4.43Å; A230-L249 HydrophobicContact CB-CB 4.04Å; A230-L249 HydrophobicContact CB-CD2 3.94Å; A230-L249 HydrophobicContact CB-CG 4.38Å; S232-L249 WeakPolarHBondContact O-CA 3.13Å; I233-L249 HydrophobicContact CB-CD2 4.29Å; I233-L249 HydrophobicContact CD1-CD2 3.71Å; I233-L249 HydrophobicContact CG1-CD2 3.67Å; I233-L249 HydrophobicContact CG2-CD2 4Å; L249-F251 HydrophobicContact CB-CE2 3.62Å; L249-F251 HydrophobicContact CB-CZ 3.81Å; L249-F251 HydrophobicContact CD1-CE2 4.36Å; L249-F251 HydrophobicContact CD1-CZ 3.91Å; L249-V260 HydrophobicContact CD1-CG1 4.21Å
250E88.6Confident86.7Confident51 Ų5150.7 Ų50.724%0.23828%0.283CS..EExtended strand (participates in β ladder)trans-129.6131.1176.5-176.8165.9-111.600107.7L207 R208 A230 K231 S232L207-E250 WeakPolarHBondContact O-CA 3.22Å; R208-E250 HydrophobicContact CG-CB 4.3Å; R208-E250 HydrophobicContact CG-CG 4.19Å; R208-E250 IonicContact CZ-OE1 3.25Å; R208-E250 IonicContact NE-OE1 2.77Å; R208-E250 PolarHBondContact NE-OE1 2.84Å; R208-E250 IonicContact NH2-OE1 3.63Å; R208-E250 PolarHBondContact NH2-OE1 2.75Å; A230-E250 CarbonylContact C-O 3.57Å; K231-E250 WeakPolarHBondContact CA-O 3.4Å; K231-E250 WeakPolarHBondContact CB-O 3.49Å; K231-E250 PolarHBondContact N-O 3.22Å; S232-E250 PolarHBondContact N-O 2.95Å; S232-E250 PolarHBondContact O-N 2.87Å
251F87.7Confident87.1Confident6 Ų646.6 Ų46.63%0.02626%0.257CS..  trans-114.2167.8-171.9-65.3-83.3000111.8L207 L209 T229 A230 L249 D256 L257 V260L207-F251 PolarHBondContact O-N 3.04Å; L209-F251 HydrophobicContact CB-CE2 3.8Å; L209-F251 HydrophobicContact CD2-CE2 4.18Å; T229-F251 VanDerWaalsContact O-CD1 3.31Å; T229-F251 WeakPolarHBondContact O-CD1 3.42Å; A230-F251 HydrophobicContact CB-CE1 4.01Å; A230-F251 HydrophobicContact CB-CZ 4.22Å; L249-F251 HydrophobicContact CB-CE2 3.62Å; L249-F251 HydrophobicContact CB-CZ 3.81Å; L249-F251 HydrophobicContact CD1-CE2 4.36Å; L249-F251 HydrophobicContact CD1-CZ 3.91Å; F251-D256 HydrophobicContact CB-CB 4.34Å; F251-D256 HydrophobicContact CD1-CB 3.8Å; F251-D256 HydrophobicContact CG-CB 4.31Å; F251-L257 HydrophobicContact CB-CB 4.38Å; F251-L257 HydrophobicContact CD2-CB 3.76Å; F251-L257 HydrophobicContact CD2-CD1 4.14Å; F251-L257 HydrophobicContact CD2-CG 4.16Å; F251-L257 HydrophobicContact CE2-CB 4.32Å; F251-L257 HydrophobicContact CE2-CG 4.47Å; F251-L257 HydrophobicContact CG-CB 4.14Å; F251-V260 HydrophobicContact CE1-CB 4.29Å; F251-V260 HydrophobicContact CE1-CG2 3.87Å; F251-V260 HydrophobicContact CZ-CB 3.89Å; F251-V260 HydrophobicContact CZ-CG1 3.93Å; F251-V260 HydrophobicContact CZ-CG2 3.96Å
252E84.8Confident87.4Confident134 Ų13447.7 Ų47.763%0.62625%0.251SS*.SBendtrans-93.9-44.1173-170.1107.7-113.400111.1K231K231-E252 HydrophobicContact CD-CB 4.3Å; K231-E252 IonicContact NZ-OE1 2.56Å; K231-E252 PolarHBondContact NZ-OE1 3.05Å; K231-E252 IonicContact NZ-OE2 3.04Å; K231-E252 PolarHBondContact NZ-OE2 3.28Å
253C83.7Confident87.6Confident49 Ų4946.8 Ų46.833%0.33125%0.252SS..SBendtrans-103.4155174.1-160.30000112.5L207 D255 D256L207-C253 VanDerWaalsContact CD2-C 3.49Å; C253-D255 PolarHBondContact SG-OD2 3.18Å; C253-D255 VanDerWaalsContact SG-OD2 3.41Å; C253-D256 HydrophobicContact CB-CB 4.45Å; C253-D256 WeakPolarHBondContact CB-OD2 3.39Å; C253-D256 PolarHBondContact N-OD2 2.98Å
254H85.1Confident87.5Confident102 Ų10245.5 Ų45.547%0.47225%0.245SC..Hα-helixtrans-71.8-32.9170.9-174.268.1000111.5E206 L207 D256 L257 Q258E206-H254 PolarHBondContact O-ND1 3Å; L207-H254 HydrophobicContact CD2-CB 4.02Å; H254-D256 PolarHBondContact O-N 2.93Å; H254-L257 WeakPolarHBondContact O-CB 3.36Å; H254-L257 PolarHBondContact O-N 3.34Å; H254-Q258 PolarHBondContact O-N 3.45Å
255D85.9Confident87.1Confident111 Ų11147.6 Ų47.659%0.59426%0.256SS*.Hα-helixtrans-62.9-41.9177.6-54.9-35.3000111.3C253 L257 Q258 V259C253-D255 PolarHBondContact SG-OD2 3.18Å; C253-D255 VanDerWaalsContact SG-OD2 3.41Å; D255-L257 VanDerWaalsContact C-N 3.32Å; D255-L257 PolarHBondContact O-N 3.39Å; D255-Q258 PolarHBondContact O-N 3.14Å; D255-V259 WeakPolarHBondContact O-CB 3.5Å; D255-V259 WeakPolarHBondContact O-CG2 3.33Å; D255-V259 PolarHBondContact O-N 3.38Å
256D87.1Confident86.6Confident53 Ų5353.9 Ų53.928%0.28329%0.289SS..Hα-helixtrans-58-44.7174.3-63-42.2000111.6T229 F251 C253 H254 Q258 V260T229-D256 HydrophobicContact CG2-CB 3.76Å; T229-D256 WeakPolarHBondContact CG2-OD1 3.19Å; F251-D256 HydrophobicContact CB-CB 4.34Å; F251-D256 HydrophobicContact CD1-CB 3.8Å; F251-D256 HydrophobicContact CG-CB 4.31Å; C253-D256 HydrophobicContact CB-CB 4.45Å; C253-D256 WeakPolarHBondContact CB-OD2 3.39Å; C253-D256 PolarHBondContact N-OD2 2.98Å; H254-D256 PolarHBondContact O-N 2.93Å; D256-Q258 VanDerWaalsContact C-N 3.35Å; D256-V260 WeakPolarHBondContact O-CB 3.39Å; D256-V260 WeakPolarHBondContact O-CG2 3.48Å; D256-V260 PolarHBondContact O-N 3.4Å
257L86.9Confident86.4Confident6 Ų655.9 Ų55.93%0.03130%0.295CS..Hα-helixtrans-62.8-42.6177.6176.8151.2000111.1L207 R208 L209 F251 H254 D255 L261L207-L257 VanDerWaalsContact C-CD1 3.4Å; R208-L257 VanDerWaalsContact N-CD1 3.33Å; R208-L257 WeakPolarHBondContact O-CD1 3.18Å; L209-L257 HydrophobicContact CB-CD1 4.31Å; L209-L257 HydrophobicContact CB-CG 4.36Å; L209-L257 HydrophobicContact CD1-CD2 4.41Å; L209-L257 HydrophobicContact CD1-CG 4.33Å; F251-L257 HydrophobicContact CB-CB 4.38Å; F251-L257 HydrophobicContact CD2-CB 3.76Å; F251-L257 HydrophobicContact CD2-CD1 4.14Å; F251-L257 HydrophobicContact CD2-CG 4.16Å; F251-L257 HydrophobicContact CE2-CB 4.32Å; F251-L257 HydrophobicContact CE2-CG 4.47Å; F251-L257 HydrophobicContact CG-CB 4.14Å; H254-L257 WeakPolarHBondContact O-CB 3.36Å; H254-L257 PolarHBondContact O-N 3.34Å; D255-L257 VanDerWaalsContact C-N 3.32Å; D255-L257 PolarHBondContact O-N 3.39Å; L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 PolarHBondContact O-N 2.67Å
258Q85.7Confident86.3Confident76 Ų7659.6 Ų59.636%0.35532%0.318SS..Hα-helixtrans-68.4-44.9-179.5-173.158.638.900111.3H254 D255 D256 V260 L261 D262H254-Q258 PolarHBondContact O-N 3.45Å; D255-Q258 PolarHBondContact O-N 3.14Å; D256-Q258 VanDerWaalsContact C-N 3.35Å; Q258-V260 VanDerWaalsContact C-N 3.35Å; Q258-V260 PolarHBondContact O-N 2.96Å; Q258-L261 WeakPolarHBondContact O-CB 3.44Å; Q258-L261 PolarHBondContact O-N 3.31Å; Q258-D262 VanDerWaalsContact NE2-CG 3.35Å; Q258-D262 PolarHBondContact NE2-OD1 2.84Å; Q258-D262 PolarHBondContact NE2-OD2 3.07Å; Q258-D262 PolarHBondContact O-N 3.36Å
259V87.3Confident86.1Confident103 Ų10359.7 Ų59.762%0.62432%0.319SS*.Hα-helixtrans-58.9-44.5174.8169.70000111.2D255 A263D255-V259 WeakPolarHBondContact O-CB 3.5Å; D255-V259 WeakPolarHBondContact O-CG2 3.33Å; D255-V259 PolarHBondContact O-N 3.38Å; V259-A263 VanDerWaalsContact O-CB 3.25Å; V259-A263 WeakPolarHBondContact O-CB 3.48Å; V259-A263 PolarHBondContact O-N 3.3Å
260V87Confident85.7Confident12 Ų1263.5 Ų63.57%0.07335%0.345CS..Hα-helixtrans-70.6-35.6176.8176.10000111.9L209 F227 L249 F251 D256 Q258 C264L209-V260 HydrophobicContact CD2-CB 4.28Å; L209-V260 HydrophobicContact CD2-CG1 3.84Å; F227-V260 HydrophobicContact CD1-CG1 3.6Å; F227-V260 HydrophobicContact CE1-CG1 3.83Å; L249-V260 HydrophobicContact CD1-CG1 4.21Å; F251-V260 HydrophobicContact CE1-CB 4.29Å; F251-V260 HydrophobicContact CE1-CG2 3.87Å; F251-V260 HydrophobicContact CZ-CB 3.89Å; F251-V260 HydrophobicContact CZ-CG1 3.93Å; F251-V260 HydrophobicContact CZ-CG2 3.96Å; D256-V260 WeakPolarHBondContact O-CB 3.39Å; D256-V260 WeakPolarHBondContact O-CG2 3.48Å; D256-V260 PolarHBondContact O-N 3.4Å; Q258-V260 VanDerWaalsContact C-N 3.35Å; Q258-V260 PolarHBondContact O-N 2.96Å; V260-C264 WeakPolarHBondContact O-CB 3.46Å; V260-C264 PolarHBondContact O-N 3.34Å; V260-C264 PolarHBondContact O-SG 3.32Å
261L88.6Confident85.5Confident23 Ų2364.4 Ų64.412%0.1237%0.369CS..Hα-helixtrans-59.8-49.2174.9-179.7155.3000111.1L209 L257 Q258 C264 Q265 P278L209-L261 HydrophobicContact CD1-CB 3.98Å; L209-L261 HydrophobicContact CD1-CD1 3.84Å; L209-L261 HydrophobicContact CD1-CG 4.17Å; L209-L261 HydrophobicContact CD2-CB 4.27Å; L257-L261 WeakPolarHBondContact O-CB 3.49Å; L257-L261 PolarHBondContact O-N 2.67Å; Q258-L261 WeakPolarHBondContact O-CB 3.44Å; Q258-L261 PolarHBondContact O-N 3.31Å; L261-C264 WeakPolarHBondContact O-CB 3.5Å; L261-C264 PolarHBondContact O-N 3.01Å; L261-Q265 WeakPolarHBondContact O-CG 3.41Å; L261-Q265 PolarHBondContact O-N 3.12Å; L261-P278 HydrophobicContact CD1-CG 3.61Å
262D86.9Confident85.5Confident72 Ų7269 Ų6939%0.38539%0.386SS..Hα-helixtrans-70.6-40.5-178.6-69.6-32000112Q258 C264 Q265Q258-D262 VanDerWaalsContact NE2-CG 3.35Å; Q258-D262 PolarHBondContact NE2-OD1 2.84Å; Q258-D262 PolarHBondContact NE2-OD2 3.07Å; Q258-D262 PolarHBondContact O-N 3.36Å; D262-C264 VanDerWaalsContact C-N 3.29Å; D262-C264 PolarHBondContact O-N 3.35Å; D262-Q265 PolarHBondContact O-N 3.27Å; D262-Q265 PolarHBondContact OD1-NE2 3.1Å
263A87Confident85.7Confident59 Ų5971.4 Ų71.449%0.48839%0.389SS..Hα-helixtrans-59.4-39.4170.500000112.1V259 Q265 N266 K267V259-A263 VanDerWaalsContact O-CB 3.25Å; V259-A263 WeakPolarHBondContact O-CB 3.48Å; V259-A263 PolarHBondContact O-N 3.3Å; A263-Q265 VanDerWaalsContact C-N 3.29Å; A263-Q265 PolarHBondContact O-N 2.97Å; A263-N266 PolarHBondContact O-N 2.82Å; A263-K267 WeakPolarHBondContact O-CB 3.2Å; A263-K267 PolarHBondContact O-N 2.93Å
264C85.6Confident86Confident1 Ų169.5 Ų69.51%0.00738%0.376CS..Hα-helixtrans-64.6-26.5178.8-86.40000114.4F227 V260 L261 D262 N266 K267 V274 A276F227-C264 WeakPolarHBondContact CE1-SG 3.01Å; V260-C264 WeakPolarHBondContact O-CB 3.46Å; V260-C264 PolarHBondContact O-N 3.34Å; V260-C264 PolarHBondContact O-SG 3.32Å; L261-C264 WeakPolarHBondContact O-CB 3.5Å; L261-C264 PolarHBondContact O-N 3.01Å; D262-C264 VanDerWaalsContact C-N 3.29Å; D262-C264 PolarHBondContact O-N 3.35Å; C264-N266 PolarHBondContact O-N 3.23Å; C264-K267 PolarHBondContact O-N 2.9Å; C264-V274 HydrophobicContact CB-CG2 4.13Å; C264-V274 WeakPolarHBondContact O-CG2 3.26Å; C264-A276 HydrophobicContact CB-CB 3.46Å; C264-A276 VanDerWaalsContact CB-CB 3.46Å
265Q80.6Confident86.2Confident119 Ų11967.2 Ų67.256%0.55637%0.372SS*.Hα-helixtrans-59.8-31.8-179-57.8-170.437.200112.1L261 D262 A263L261-Q265 WeakPolarHBondContact O-CG 3.41Å; L261-Q265 PolarHBondContact O-N 3.12Å; D262-Q265 PolarHBondContact O-N 3.27Å; D262-Q265 PolarHBondContact OD1-NE2 3.1Å; A263-Q265 VanDerWaalsContact C-N 3.29Å; A263-Q265 PolarHBondContact O-N 2.97Å
266N78.7Confident86.4Confident139 Ų13962.7 Ų62.774%0.74335%0.35SS*.Hα-helixtrans-107.7-3.7-178.2-64.6-54000114A263 C264A263-N266 PolarHBondContact O-N 2.82Å; C264-N266 PolarHBondContact O-N 3.23Å
267K85.9Confident86.4Confident53 Ų5363 Ų6323%0.2335%0.351CS..  trans-79.5138.9-171.4-169163.5-177.5167.50112.9E226 F227 A263 C264 I269 R273 V274E226-K267 PolarHBondContact O-NZ 2.97Å; E226-K267 WeakPolarHBondContact OE2-CE 3.24Å; E226-K267 IonicContact OE2-NZ 2.71Å; E226-K267 PolarHBondContact OE2-NZ 3.21Å; F227-K267 HydrophobicContact CE1-CD 4.29Å; F227-K267 HydrophobicContact CZ-CD 4.39Å; A263-K267 WeakPolarHBondContact O-CB 3.2Å; A263-K267 PolarHBondContact O-N 2.93Å; C264-K267 PolarHBondContact O-N 2.9Å; K267-I269 HydrophobicContact CG-CG1 4.31Å; K267-R273 WeakPolarHBondContact O-CA 3.12Å; K267-V274 HydrophobicContact CB-CG2 3.99Å; K267-V274 PolarHBondContact O-N 2.54Å
268V87.9Confident86.3Confident79 Ų7967 Ų6748%0.47938%0.377SS..EExtended strand (participates in β ladder)trans-123.2110.3-178.7178.60000109.8R272 R273V268-R272 CarbonylContact C-O 3.6Å; V268-R272 WeakPolarHBondContact CA-O 3.45Å; V268-R273 HydrophobicContact CG2-CG 3.82Å
269I86Confident86.1Confident5 Ų564 Ų643%0.02637%0.366CS..EExtended strand (participates in β ladder)trans-105.2121.4179.1-54.6-173.1000109L214 P215 I218 E226 F227 K267 G271 R272 V274L214-I269 HydrophobicContact CD2-CD1 4Å; P215-I269 HydrophobicContact CG-CG2 4.32Å; I218-I269 HydrophobicContact CD1-CG2 3.99Å; E226-I269 HydrophobicContact CB-CD1 4.22Å; E226-I269 HydrophobicContact CG-CD1 4.12Å; E226-I269 WeakPolarHBondContact OE1-CG1 3.11Å; F227-I269 HydrophobicContact CE2-CD1 4.01Å; F227-I269 HydrophobicContact CZ-CD1 4.11Å; K267-I269 HydrophobicContact CG-CG1 4.31Å; I269-G271 VanDerWaalsContact C-N 3.26Å; I269-G271 PolarHBondContact O-N 2.78Å; I269-R272 PolarHBondContact N-O 2.91Å; I269-R272 PolarHBondContact O-N 2.92Å; I269-V274 HydrophobicContact CB-CG1 4.06Å; I269-V274 HydrophobicContact CD1-CG1 3.87Å; I269-V274 HydrophobicContact CG1-CG1 3.72Å
270S82.8Confident85.9Confident80 Ų8061.7 Ų61.756%0.55935%0.35SS*.THydrogen-bonded Turntrans44.846.9-174.7-35.40000113.7R272S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 2.8Å
271G84.1Confident85.5Confident71 Ų7165.6 Ų65.673%0.73237%0.368SS*.THydrogen-bonded Turntrans77.24.7179.500000115.9I269I269-G271 VanDerWaalsContact C-N 3.26Å; I269-G271 PolarHBondContact O-N 2.78Å
272R88.7Confident85Confident102 Ų10265.9 Ų65.939%0.38537%0.368SS..EExtended strand (participates in β ladder)trans-108.5123.4173.8-64.9-176.7177.478.23.8110.7N213 V268 I269 S270 V274N213-R272 WeakPolarHBondContact O-CB 3.28Å; N213-R272 WeakPolarHBondContact O-CD 3.21Å; V268-R272 CarbonylContact C-O 3.6Å; V268-R272 WeakPolarHBondContact CA-O 3.45Å; I269-R272 PolarHBondContact N-O 2.91Å; I269-R272 PolarHBondContact O-N 2.92Å; S270-R272 VanDerWaalsContact C-N 3.31Å; S270-R272 PolarHBondContact O-N 2.8Å; R272-V274 PolarHBondContact O-N 3.45Å
273R88.2Confident84.3Confident185 Ų18570.5 Ų70.570%0.69839%0.387SS*.EExtended strand (participates in β ladder)trans-58.5123164.9-80.4-166.5-65.8-95.96.9108.8N213 K267 V268N213-R273 PolarHBondContact ND2-O 2.95Å; K267-R273 WeakPolarHBondContact O-CA 3.12Å; V268-R273 HydrophobicContact CG2-CG 3.82Å
274V91.2Very high83.4Confident8 Ų870.8 Ų70.85%0.04838%0.38CS..  trans-79.4166.9174.6-54.10000110.2I211 R212 L214 C264 K267 I269 R272I211-V274 HydrophobicContact CG2-CB 3.93Å; I211-V274 HydrophobicContact CG2-CG1 4.44Å; I211-V274 HydrophobicContact CG2-CG2 4.36Å; R212-V274 WeakPolarHBondContact O-CA 3.28Å; L214-V274 HydrophobicContact CD2-CG1 3.77Å; C264-V274 HydrophobicContact CB-CG2 4.13Å; C264-V274 WeakPolarHBondContact O-CG2 3.26Å; K267-V274 HydrophobicContact CB-CG2 3.99Å; K267-V274 PolarHBondContact O-N 2.54Å; I269-V274 HydrophobicContact CB-CG1 4.06Å; I269-V274 HydrophobicContact CD1-CG1 3.87Å; I269-V274 HydrophobicContact CG1-CG1 3.72Å; R272-V274 PolarHBondContact O-N 3.45Å
275S88.4Confident82.2Confident55 Ų5574.8 Ų74.839%0.38540%0.397SS..EExtended strand (participates in β ladder)trans-138112.8173.9169.90000108.5I211 R212I211-S275 CarbonylContact C-O 3.52Å; R212-S275 PolarHBondContact N-O 2.91Å; R212-S275 PolarHBondContact O-N 2.77Å
276A89.9Confident80.8Confident16 Ų1674.8 Ų74.813%0.13241%0.411CS..EExtended strand (participates in β ladder)trans-85.2144.2171.900000110.6L209 I211 C264L209-A276 HydrophobicContact CD1-CB 4.06Å; L209-A276 HydrophobicContact CD2-CB 4.03Å; L209-A276 HydrophobicContact CG-CB 4.06Å; I211-A276 HydrophobicContact CD1-CB 3.67Å; C264-A276 HydrophobicContact CB-CB 3.46Å; C264-A276 VanDerWaalsContact CB-CB 3.46Å
277L86.9Confident79.2Confident59 Ų5975.8 Ų75.831%0.30941%0.411SS..EExtended strand (participates in β ladder)trans-140.3131174-66174.5000109T210 H281T210-L277 PolarHBondContact N-O 2.68Å; T210-L277 PolarHBondContact O-N 2.92Å; L277-H281 WeakPolarHBondContact CD1-ND1 3.44Å
278P85.1Confident76.9Confident89 Ų8980.2 Ų80.258%0.57844%0.437SS*.EExtended strand (participates in β ladder)trans-54.8149.7174.4-2734.5000113.7L261L261-P278 HydrophobicContact CD1-CG 3.61Å
279G81.2Confident74.8Confident13 Ų1383 Ų8313%0.13445%0.447CS..SBendtrans68.2-165.3177.500000114.4R208 T210R208-G279 WeakPolarHBondContact O-CA 3.28Å; R208-G279 PolarHBondContact O-N 3.05Å; T210-G279 PolarHBondContact N-O 3.35Å; T210-G279 PolarHBondContact OG1-O 2.74Å
280L84Confident72.5Confident55 Ų5592.3 Ų92.329%0.28849%0.487SS..  trans-95.8101.9-178.117758.8000111.9L248 F282 I284L248-L280 HydrophobicContact CD1-CB 4.45Å; L248-L280 HydrophobicContact CD1-CD1 3.77Å; L248-L280 HydrophobicContact CD2-CD1 4.03Å; L248-L280 HydrophobicContact CG-CD1 4.41Å; L280-F282 HydrophobicContact CD1-CD1 4.16Å; L280-F282 HydrophobicContact CD1-CE1 4.19Å; L280-F282 HydrophobicContact CD1-CG 4.36Å; L280-F282 HydrophobicContact CD1-CZ 4.43Å; L280-F282 VanDerWaalsContact CD1-O 3.28Å; L280-F282 WeakPolarHBondContact CD1-O 2.99Å; L280-F282 WeakPolarHBondContact CG-O 3.36Å; L280-I284 HydrophobicContact CD1-CD1 3.87Å; L280-I284 HydrophobicContact CD1-CG1 3.69Å; L280-I284 HydrophobicContact CD2-CD1 3.67Å; L280-I284 HydrophobicContact CD2-CG1 3.84Å; L280-I284 HydrophobicContact CG-CD1 4.43Å; L280-I284 HydrophobicContact CG-CG1 4.4Å
281H79Confident70.2Confident95 Ų9594.2 Ų94.244%0.4450%0.495SS..  trans-104.231.3-179.5-163.1-170000113.5T210 R212 L277T210-H281 HydrophobicContact CG2-CB 4.05Å; T210-H281 PolarHBondContact OG1-N 3.28Å; R212-H281 PolarHBondContact NH2-CD2 3.18Å; R212-H281 VanDerWaalsContact NH2-CD2 3.3Å; R212-H281 PolarHBondContact NH2-CE1 2.83Å; R212-H281 VanDerWaalsContact NH2-CE1 3.35Å; R212-H281 VanDerWaalsContact NH2-CG 3.25Å; R212-H281 PolarHBondContact NH2-ND1 2.88Å; R212-H281 PolarHBondContact NH2-NE2 2.87Å; R212-H281 PolarHBondContact NH2-O 2.85Å; L277-H281 WeakPolarHBondContact CD1-ND1 3.44Å
282F77Confident68.2Low28 Ų2898 Ų9812%0.12350%0.499CS..SBendtrans-152.7158.6163.963.8-89.1000112.7T210 N236 L248 L280 I284T210-F282 HydrophobicContact CG2-CD1 3.76Å; T210-F282 HydrophobicContact CG2-CE1 4.06Å; N236-F282 HydrophobicContact CB-CD1 4.43Å; N236-F282 HydrophobicContact CB-CD2 3.85Å; N236-F282 HydrophobicContact CB-CE1 4.26Å; N236-F282 HydrophobicContact CB-CE2 3.65Å; N236-F282 HydrophobicContact CB-CG 4.24Å; N236-F282 HydrophobicContact CB-CZ 3.87Å; N236-F282 WeakPolarHBondContact ND2-CG 3.35Å; L248-F282 HydrophobicContact CB-CE1 3.85Å; L248-F282 HydrophobicContact CB-CZ 3.78Å; L280-F282 HydrophobicContact CD1-CD1 4.16Å; L280-F282 HydrophobicContact CD1-CE1 4.19Å; L280-F282 HydrophobicContact CD1-CG 4.36Å; L280-F282 HydrophobicContact CD1-CZ 4.43Å; L280-F282 VanDerWaalsContact CD1-O 3.28Å; L280-F282 WeakPolarHBondContact CD1-O 2.99Å; L280-F282 WeakPolarHBondContact CG-O 3.36Å; F282-I284 HydrophobicContact CD2-CG1 4.42Å; F282-I284 HydrophobicContact CE2-CG1 3.97Å; F282-I284 PolarHBondContact O-N 2.84Å; F282-I284 VanDerWaalsContact O-N 3.08Å
283E72.1Confident65.9Low169 Ų16999.3 Ų99.379%0.7952%0.518SS*.  trans-69.3101.9169.8-68.5-178.8165.700110.6K285E283-K285 PolarHBondContact O-N 2.82Å
284I67.9Low63.8Low66 Ų66100.7 Ų100.734%0.33853%0.529SS..  trans-64.5115.5161-49.5173.3000106.9L248 L280 F282 S286L248-I284 HydrophobicContact CD2-CD1 3.78Å; L280-I284 HydrophobicContact CD1-CD1 3.87Å; L280-I284 HydrophobicContact CD1-CG1 3.69Å; L280-I284 HydrophobicContact CD2-CD1 3.67Å; L280-I284 HydrophobicContact CD2-CG1 3.84Å; L280-I284 HydrophobicContact CG-CD1 4.43Å; L280-I284 HydrophobicContact CG-CG1 4.4Å; F282-I284 HydrophobicContact CD2-CG1 4.42Å; F282-I284 HydrophobicContact CE2-CG1 3.97Å; F282-I284 PolarHBondContact O-N 2.84Å; F282-I284 VanDerWaalsContact O-N 3.08Å; I284-S286 PolarHBondContact O-N 3.06Å
285K61.3Low61.9Low84 Ų84108.2 Ų108.237%0.36556%0.564SS.*  trans-71.9116.7162.8-59.5-170.6-12677.90106.3T237 E283 E287T237-K285 PolarHBondContact O-NZ 3.22Å; E283-K285 PolarHBondContact O-N 2.82Å; K285-E287 PolarHBondContact O-N 2.96Å
286S50.5Low60.4Low120 Ų120108.5 Ų108.584%0.83957%0.57SS**  trans-74.969.6-171.361.80000112.6I284I284-S286 PolarHBondContact O-N 3.06Å
287E44.2Very low59.5Low160 Ų160111.4 Ų111.475%0.74859%0.589SS**  trans-100111.6164.2-71.8175.4124.300108.2K285K285-E287 PolarHBondContact O-N 2.96Å
288N38Very low59.4Low146 Ų146112.1 Ų112.178%0.78160%0.596SS**SBendtrans66.951.2161.4-51.8-27.8000119.6
289M43.7Very low59.5Low138 Ų138110 Ų11068%0.6858%0.577SS**  trans-133.965.1147.7-79.4-56.8162.100112.1
290K38Very low59.7Low199 Ų199109.6 Ų109.687%0.86557%0.574SS**  trans-116.277.1158.5-84.4-165.9172.5-171.20109.3N292K290-N292 PolarHBondContact O-N 2.94Å
291T35.8Very low60Low121 Ų121107.2 Ų107.274%0.74256%0.561SS**  trans-73.565.2168.336.20000110.6
292N40.7Very low60.5Low150 Ų150104.9 Ų104.980%0.80255%0.55SS*.SBendtrans-162.399.6162.4-99.4-40.9000109.1K290K290-N292 PolarHBondContact O-N 2.94Å
293T41.7Very low61.1Low130 Ų130103.6 Ų103.680%0.79854%0.544SS*.SBendtrans58.4118.7179.8-50.50000115.6E295T293-E295 VanDerWaalsContact C-N 3.28Å; T293-E295 PolarHBondContact O-N 2.92Å
294K43.5Very low61.7Low213 Ų21396.4 Ų96.493%0.92651%0.512SS*.  trans-74.467.9-176-67.1179.4-179.4172.50113.5A296K294-A296 PolarHBondContact O-N 3.41Å
295E50.9Low62.4Low167 Ų167100.8 Ų100.878%0.7853%0.529SS*.  trans-65.891.5151-76.1-172.7-171.500107.8T293 S297T293-E295 VanDerWaalsContact C-N 3.28Å; T293-E295 PolarHBondContact O-N 2.92Å; E295-S297 PolarHBondContact O-N 3.17Å
296A56.2Low63.5Low61 Ų6197 Ų9750%0.50451%0.512SS..  trans-54128.1172.900000108.5K294 T298K294-A296 PolarHBondContact O-N 3.41Å; A296-T298 WeakPolarHBondContact O-CG2 3.44Å; A296-T298 PolarHBondContact O-N 3.05Å
297S72.6Confident65Low76 Ų7692.6 Ų92.653%0.53148%0.482SS..  trans-48.6120.9-175.3179.70000110.1E295 N346E295-S297 PolarHBondContact O-N 3.17Å; S297-N346 WeakPolarHBondContact O-CB 3.38Å; S297-N346 PolarHBondContact O-N 2.96Å; S297-N346 PolarHBondContact OG-ND2 3.06Å
298T83.8Confident66.8Low74 Ų7488.4 Ų88.445%0.45447%0.467SS..EExtended strand (participates in β ladder)trans-107.5160.6-179.871.90000110.3A296 I325 T343 L344A296-T298 WeakPolarHBondContact O-CG2 3.44Å; A296-T298 PolarHBondContact O-N 3.05Å; T298-I325 HydrophobicContact CG2-CD1 3.38Å; T298-T343 HydrophobicContact CG2-CG2 4.08Å; T298-L344 CarbonylContact C-O 3.51Å; T298-L344 VanDerWaalsContact CA-O 3.24Å; T298-L344 WeakPolarHBondContact CA-O 3.29Å
299F86.6Confident69Low44 Ų4485.9 Ų85.919%0.19346%0.457CS..EExtended strand (participates in β ladder)trans-137.6137.8159.970.9-74.1000109.9I301 L344 N346 N350 Q351 V354F299-I301 HydrophobicContact CD2-CD1 4.45Å; F299-I301 HydrophobicContact CD2-CG1 4.19Å; F299-I301 HydrophobicContact CE2-CD1 3.88Å; F299-I301 HydrophobicContact CE2-CG1 4.11Å; F299-L344 HydrophobicContact CD1-CB 4.17Å; F299-L344 HydrophobicContact CE1-CB 3.8Å; F299-L344 HydrophobicContact CE1-CD1 4.34Å; F299-L344 HydrophobicContact CE2-CD1 4.23Å; F299-L344 HydrophobicContact CZ-CB 4.12Å; F299-L344 HydrophobicContact CZ-CD1 3.82Å; F299-L344 PolarHBondContact N-O 3.41Å; F299-L344 PolarHBondContact O-N 3.21Å; F299-N346 HydrophobicContact CD1-CB 4.06Å; F299-N350 HydrophobicContact CE1-CB 3.99Å; F299-N350 HydrophobicContact CZ-CB 4Å; F299-Q351 HydrophobicContact CE1-CG 4.28Å; F299-Q351 HydrophobicContact CZ-CG 4.14Å; F299-V354 HydrophobicContact CE2-CG2 4.11Å; F299-V354 HydrophobicContact CZ-CG2 4.21Å
300G87.2Confident70.8Confident6 Ų679.3 Ų79.36%0.06242%0.424CS..EExtended strand (participates in β ladder)trans-93.3155178.500000112L342 W372G300-L342 CarbonylContact C-O 3.54Å; G300-L342 VanDerWaalsContact CA-O 3.26Å; G300-L342 WeakPolarHBondContact CA-O 3.37Å; G300-W372 CarbonylContact C-O 3.55Å; G300-W372 WeakPolarHBondContact CA-O 3.29Å; G300-W372 PolarHBondContact N-O 3.01Å; G300-W372 VanDerWaalsContact N-O 3.15Å; G300-W372 PolarHBondContact O-N 3.26Å
301I89.1Confident73.1Confident4 Ų475.4 Ų75.42%0.02141%0.41CS..EExtended strand (participates in β ladder)trans-137.6136.4175.1-52173.6000108.1F299 I303 F341 L342 L344 V354 M369 Q370F299-I301 HydrophobicContact CD2-CD1 4.45Å; F299-I301 HydrophobicContact CD2-CG1 4.19Å; F299-I301 HydrophobicContact CE2-CD1 3.88Å; F299-I301 HydrophobicContact CE2-CG1 4.11Å; I301-I303 HydrophobicContact CG2-CG1 4.25Å; I301-F341 WeakPolarHBondContact O-CA 3.3Å; I301-L342 HydrophobicContact CB-CB 4.32Å; I301-L342 PolarHBondContact N-O 3.45Å; I301-L342 PolarHBondContact O-N 3.43Å; I301-L344 HydrophobicContact CD1-CD1 3.59Å; I301-L344 HydrophobicContact CD1-CG 4.32Å; I301-V354 HydrophobicContact CD1-CB 4.19Å; I301-V354 HydrophobicContact CD1-CG1 3.82Å; I301-V354 HydrophobicContact CD1-CG2 3.24Å; I301-M369 HydrophobicContact CD1-CE 4.42Å; I301-M369 HydrophobicContact CG2-CB 4.35Å; I301-M369 HydrophobicContact CG2-CE 3.9Å; I301-Q370 WeakPolarHBondContact CA-O 3.48Å
302K89.7Confident75.4Confident47 Ų4771.5 Ų71.520%0.20438%0.384CS..EExtended strand (participates in β ladder)trans-109.5119.8165.5-176.3-176.9-176.9177.10108.7V340 F341 Q370 W372K302-V340 CarbonylContact C-O 3.13Å; K302-V340 WeakPolarHBondContact CA-O 3.34Å; K302-F341 HydrophobicContact CB-CD1 4.1Å; K302-F341 HydrophobicContact CB-CE1 4.16Å; K302-F341 HydrophobicContact CD-CD1 4.37Å; K302-F341 HydrophobicContact CD-CE1 3.6Å; K302-F341 HydrophobicContact CD-CZ 3.91Å; K302-F341 HydrophobicContact CG-CD1 3.98Å; K302-F341 HydrophobicContact CG-CE1 3.69Å; K302-F341 HydrophobicContact CG-CZ 4.12Å; K302-Q370 PolarHBondContact N-O 3.17Å; K302-Q370 PolarHBondContact O-N 3.21Å; K302-W372 HydrophobicContact CB-CB 4.07Å; K302-W372 HydrophobicContact CB-CE3 4.41Å; K302-W372 HydrophobicContact CB-CG 4.48Å; K302-W372 HydrophobicContact CD-CE3 4.43Å
303I88.7Confident77.6Confident0 Ų069.2 Ų69.20%037%0.372CS..EExtended strand (participates in β ladder)trans-94108.4168.1-49.1-170.8000106.6I301 L306 L315 N339 V340 L342 L367 M369I301-I303 HydrophobicContact CG2-CG1 4.25Å; I303-L306 HydrophobicContact CG2-CB 4.39Å; I303-L306 HydrophobicContact CG2-CD1 4.37Å; I303-L315 HydrophobicContact CD1-CD1 3.86Å; I303-L315 HydrophobicContact CD1-CD2 3.83Å; I303-N339 CarbonylContact O-C 3.59Å; I303-N339 WeakPolarHBondContact O-CA 3.18Å; I303-V340 HydrophobicContact CB-CB 4.38Å; I303-V340 PolarHBondContact N-O 2.8Å; I303-V340 PolarHBondContact O-N 3.35Å; I303-L342 HydrophobicContact CD1-CD1 3.82Å; I303-L342 HydrophobicContact CG1-CD1 4.28Å; I303-L367 HydrophobicContact CD1-CD1 4.38Å; I303-L367 HydrophobicContact CG2-CB 4.19Å; I303-L367 HydrophobicContact CG2-CD2 4.23Å; I303-M369 HydrophobicContact CD1-CE 4.1Å; I303-M369 HydrophobicContact CG1-CE 4.33Å; I303-M369 HydrophobicContact CG1-CG 4.23Å
304C85.8Confident79.6Confident18 Ų1865.9 Ų65.912%0.12235%0.345CS..EExtended strand (participates in β ladder)trans-86141.5-179-54.40000110.6L306 N339 H368 Q370C304-L306 VanDerWaalsContact C-N 3.33Å; C304-L306 PolarHBondContact O-N 3.47Å; C304-N339 WeakPolarHBondContact CA-OD1 3.34Å; C304-H368 HydrophobicContact CB-CB 4.43Å; C304-H368 PolarHBondContact N-O 3.17Å; C304-Q370 PolarHBondContact SG-OE1 2.83Å
305K82.7Confident81.6Confident159 Ų15955.8 Ų55.869%0.69130%0.301SS*.EExtended strand (participates in β ladder)trans51.347.2175.4-55.8-174.2178-171.30113.3R338 N339K305-R338 PolarHBondContact N-O 3.08Å; K305-N339 PolarHBondContact N-OD1 2.86Å
306L84Confident83.3Confident3 Ų352.6 Ų52.62%0.01628%0.282CS..EExtended strand (participates in β ladder)trans-65.3129.8166.1-174.671000108.4I303 C304 I310 L315 C337 R338 V340 L367I303-L306 HydrophobicContact CG2-CB 4.39Å; I303-L306 HydrophobicContact CG2-CD1 4.37Å; C304-L306 VanDerWaalsContact C-N 3.33Å; C304-L306 PolarHBondContact O-N 3.47Å; L306-I310 HydrophobicContact CD1-CB 3.92Å; L306-I310 HydrophobicContact CD1-CD1 3.73Å; L306-I310 HydrophobicContact CD1-CG1 4.42Å; L306-I310 HydrophobicContact CD1-CG2 4Å; L306-I310 HydrophobicContact CD2-CB 4.45Å; L306-I310 HydrophobicContact CD2-CG2 4.34Å; L306-I310 HydrophobicContact CG-CB 4.19Å; L306-I310 HydrophobicContact CG-CG2 4.47Å; L306-L315 HydrophobicContact CD2-CD2 3.94Å; L306-C337 CarbonylContact O-C 3.58Å; L306-C337 WeakPolarHBondContact O-CA 3.34Å; L306-R338 HydrophobicContact CB-CG 4.26Å; L306-R338 WeakPolarHBondContact CB-O 3.46Å; L306-R338 HydrophobicContact CD2-CG 4.45Å; L306-R338 PolarHBondContact N-O 3.42Å; L306-R338 PolarHBondContact O-N 3.34Å; L306-V340 HydrophobicContact CD2-CG2 3.52Å; L306-L367 HydrophobicContact CD1-CD2 3.41Å; L306-L367 VanDerWaalsContact CD1-CD2 3.41Å
307S83.1Confident84.7Confident29 Ų2956.8 Ų56.820%0.20329%0.291CS..EExtended strand (participates in β ladder)trans-61.8143.3173-179.10000110.5V309 I310S307-V309 PolarHBondContact O-N 3.04Å; S307-V309 PolarHBondContact OG-N 2.88Å; S307-I310 PolarHBondContact O-N 2.82Å; S307-I310 VanDerWaalsContact O-N 3.08Å
308T81.6Confident85.3Confident71 Ų7156.4 Ų56.444%0.43628%0.28SS..THydrogen-bonded Turntrans-60.5-21.7170.641.10000113.2I310 P335 S336T308-I310 PolarHBondContact O-N 3.32Å; T308-P335 VanDerWaalsContact CG2-O 3.3Å; T308-P335 WeakPolarHBondContact CG2-O 3.44Å; T308-S336 PolarHBondContact N-O 3.35Å
309V83.4Confident85.4Confident93 Ų9353.4 Ų53.456%0.56426%0.261SS*.THydrogen-bonded Turntrans-66.3-16.7174-176.20000112.9S307 R314S307-V309 PolarHBondContact O-N 3.04Å; S307-V309 PolarHBondContact OG-N 2.88Å; V309-R314 PolarHBondContact O-NH1 3.08Å; V309-R314 PolarHBondContact O-NH2 2.77Å
310I82.4Confident85.2Confident0 Ų054 Ų540%027%0.27CS..SBendtrans-99.1105169.5-61.4166.7000108.5L306 S307 T308 L315 R338 I362 H365 L367L306-I310 HydrophobicContact CD1-CB 3.92Å; L306-I310 HydrophobicContact CD1-CD1 3.73Å; L306-I310 HydrophobicContact CD1-CG1 4.42Å; L306-I310 HydrophobicContact CD1-CG2 4Å; L306-I310 HydrophobicContact CD2-CB 4.45Å; L306-I310 HydrophobicContact CD2-CG2 4.34Å; L306-I310 HydrophobicContact CG-CB 4.19Å; L306-I310 HydrophobicContact CG-CG2 4.47Å; S307-I310 PolarHBondContact O-N 2.82Å; S307-I310 VanDerWaalsContact O-N 3.08Å; T308-I310 PolarHBondContact O-N 3.32Å; I310-L315 HydrophobicContact CG2-CB 4.44Å; I310-R338 PolarHBondContact O-NH2 2.9Å; I310-I362 HydrophobicContact CD1-CB 4.05Å; I310-I362 HydrophobicContact CD1-CG2 4.17Å; I310-I362 HydrophobicContact CG1-CG2 4.26Å; I310-I362 HydrophobicContact CG2-CD1 4.35Å; I310-I362 HydrophobicContact CG2-CG2 4.15Å; I310-H365 HydrophobicContact CD1-CB 3.87Å; I310-L367 HydrophobicContact CD1-CD2 4.2Å
311E85.3Confident84.7Confident118 Ų11862.4 Ų62.455%0.55131%0.312SS*.  trans-67.2158.6176.4-63.5158.3135.300111.7D313 R314 L315E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.16Å; E311-R314 PolarHBondContact O-N 3.47Å; E311-R314 IonicContact OE2-NH1 2.76Å; E311-R314 PolarHBondContact OE2-NH1 3.39Å; E311-R314 VanDerWaalsContact OE2-NH1 3.09Å; E311-L315 PolarHBondContact O-N 2.89Å
312D85.4Confident84.2Confident39 Ų3964.6 Ų64.621%0.20934%0.336CS..Hα-helixtrans-64.8-36.9-178.7-71.1-43000112.2L315 R316 Y327 R338D312-L315 PolarHBondContact O-N 2.76Å; D312-R316 WeakPolarHBondContact O-CB 3.47Å; D312-R316 WeakPolarHBondContact O-CD 3.39Å; D312-R316 WeakPolarHBondContact O-CG 3.26Å; D312-R316 PolarHBondContact O-N 2.78Å; D312-Y327 WeakPolarHBondContact CA-OH 3.38Å; D312-Y327 HydrophobicContact CB-CE1 3.83Å; D312-Y327 WeakPolarHBondContact CB-OH 3.05Å; D312-Y327 VanDerWaalsContact CG-OH 3.31Å; D312-Y327 VanDerWaalsContact OD1-CE1 3.28Å; D312-Y327 WeakPolarHBondContact OD1-CE1 3.47Å; D312-Y327 VanDerWaalsContact OD1-CZ 3.3Å; D312-Y327 PolarHBondContact OD1-OH 3.09Å; D312-R338 VanDerWaalsContact N-NH2 3.19Å; D312-R338 IonicContact OD1-CZ 3.04Å; D312-R338 VanDerWaalsContact OD1-CZ 3.25Å; D312-R338 IonicContact OD1-NH1 2.67Å; D312-R338 PolarHBondContact OD1-NH1 3.26Å; D312-R338 IonicContact OD1-NH2 2.64Å; D312-R338 PolarHBondContact OD1-NH2 3.09Å; D312-R338 IonicContact OD2-CZ 2.74Å; D312-R338 IonicContact OD2-NH1 2.62Å; D312-R338 PolarHBondContact OD2-NH1 3.22Å; D312-R338 IonicContact OD2-NH2 2.79Å
313D85.4Confident84Confident102 Ų10262.9 Ų62.955%0.54533%0.33SS..Hα-helixtrans-71.7-37.3-178.6-61.7-55.4000112.7E311 L315 R316 Q317E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.16Å; D313-L315 PolarHBondContact O-N 3.42Å; D313-R316 PolarHBondContact O-N 2.76Å; D313-R316 VanDerWaalsContact O-N 3.1Å; D313-R316 WeakPolarHBondContact OD1-CD 3.44Å; D313-Q317 WeakPolarHBondContact O-CB 3.33Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 2.77Å
314R85.3Confident83.9Confident60 Ų6064.8 Ų64.823%0.22634%0.339CS..Hα-helixtrans-64.8-26.6175-140.2161.375.9-116.67.3112.6V309 E311 Q318 D363V309-R314 PolarHBondContact O-NH1 3.08Å; V309-R314 PolarHBondContact O-NH2 2.77Å; E311-R314 PolarHBondContact O-N 3.47Å; E311-R314 IonicContact OE2-NH1 2.76Å; E311-R314 PolarHBondContact OE2-NH1 3.39Å; E311-R314 VanDerWaalsContact OE2-NH1 3.09Å; R314-Q318 PolarHBondContact O-NE2 2.72Å; R314-D363 IonicContact CZ-OD2 2.68Å; R314-D363 IonicContact NE-OD2 2.65Å; R314-D363 PolarHBondContact NE-OD2 3.06Å; R314-D363 IonicContact NH2-OD2 3.02Å; R314-D363 PolarHBondContact NH2-OD2 3.06Å
315L85.3Confident83.8Confident0 Ų068 Ų680%036%0.355CS..Hα-helixtrans-82.2-39.1169.1174.357.8000112.8I303 L306 I310 E311 D312 D313 Q318 F319 Y327 V340 L342 I362I303-L315 HydrophobicContact CD1-CD1 3.86Å; I303-L315 HydrophobicContact CD1-CD2 3.83Å; L306-L315 HydrophobicContact CD2-CD2 3.94Å; I310-L315 HydrophobicContact CG2-CB 4.44Å; E311-L315 PolarHBondContact O-N 2.89Å; D312-L315 PolarHBondContact O-N 2.76Å; D313-L315 PolarHBondContact O-N 3.42Å; L315-Q318 WeakPolarHBondContact O-CB 3.26Å; L315-Q318 PolarHBondContact O-N 2.92Å; L315-F319 HydrophobicContact CD1-CE2 4.22Å; L315-F319 WeakPolarHBondContact O-CD2 3.47Å; L315-Y327 HydrophobicContact CD2-CE2 4.41Å; L315-Y327 WeakPolarHBondContact CD2-OH 3.36Å; L315-V340 HydrophobicContact CD2-CB 4.2Å; L315-V340 HydrophobicContact CD2-CG1 3.91Å; L315-V340 HydrophobicContact CD2-CG2 4.21Å; L315-L342 HydrophobicContact CD2-CD1 4.47Å; L315-I362 HydrophobicContact CB-CD1 4.17Å; L315-I362 HydrophobicContact CD1-CD1 3.64Å; L315-I362 HydrophobicContact CG-CD1 4.49Å
316R85.3Confident83.8Confident101 Ų10163.9 Ų63.938%0.38134%0.338SS..Hα-helixtrans-62.7-42176.2-72.7161.2-179.5-101.610.2112D312 D313 Q318 F319 I324 Y327D312-R316 WeakPolarHBondContact O-CB 3.47Å; D312-R316 WeakPolarHBondContact O-CD 3.39Å; D312-R316 WeakPolarHBondContact O-CG 3.26Å; D312-R316 PolarHBondContact O-N 2.78Å; D313-R316 PolarHBondContact O-N 2.76Å; D313-R316 VanDerWaalsContact O-N 3.1Å; D313-R316 WeakPolarHBondContact OD1-CD 3.44Å; R316-Q318 PolarHBondContact O-N 2.84Å; R316-F319 PolarHBondContact O-N 2.98Å; R316-I324 HydrophobicContact CB-CD1 4.17Å; R316-I324 HydrophobicContact CG-CD1 4Å; R316-Y327 HydrophobicContact CG-CD2 3.86Å; R316-Y327 HydrophobicContact CG-CE2 3.71Å; R316-Y327 VanDerWaalsContact NH2-CD1 3.29Å
317Q86.6Confident84Confident149 Ų14965.5 Ų65.570%0.69634%0.344SS*.THydrogen-bonded Turntrans-57.1-19.7177.1-75.2167.89.500113.9D313 F319D313-Q317 WeakPolarHBondContact O-CB 3.33Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 2.77Å; Q317-F319 PolarHBondContact O-N 2.8Å
318Q84Confident84.1Confident67 Ų6766.8 Ų66.831%0.31335%0.352SS..THydrogen-bonded Turntrans-71.6-15.8175.4-55.6-61.4-43.900113R314 L315 R316 I353 L357 I362R314-Q318 PolarHBondContact O-NE2 2.72Å; L315-Q318 WeakPolarHBondContact O-CB 3.26Å; L315-Q318 PolarHBondContact O-N 2.92Å; R316-Q318 PolarHBondContact O-N 2.84Å; Q318-I353 WeakPolarHBondContact O-CG2 3.4Å; Q318-L357 HydrophobicContact CB-CD1 4.04Å; Q318-L357 HydrophobicContact CB-CD2 4.05Å; Q318-L357 HydrophobicContact CG-CD2 3.82Å; Q318-I362 HydrophobicContact CG-CD1 3.88Å; Q318-I362 HydrophobicContact CG-CG1 4.32Å
319F86Confident84.3Confident11 Ų1165.2 Ų65.25%0.04834%0.344CS..SBendtrans-110.9147.7-178.8-59.7-83.1000111.2L315 R316 Q317 I324 L342 L344 I353 V354 L357L315-F319 HydrophobicContact CD1-CE2 4.22Å; L315-F319 WeakPolarHBondContact O-CD2 3.47Å; R316-F319 PolarHBondContact O-N 2.98Å; Q317-F319 PolarHBondContact O-N 2.8Å; F319-I324 HydrophobicContact CB-CD1 4.16Å; F319-I324 HydrophobicContact CB-CG1 3.97Å; F319-I324 HydrophobicContact CD2-CD1 4.04Å; F319-I324 HydrophobicContact CD2-CG1 4.38Å; F319-I324 HydrophobicContact CG-CD1 4.34Å; F319-I324 HydrophobicContact CG-CG1 4.24Å; F319-L342 HydrophobicContact CE2-CD1 4.14Å; F319-L342 HydrophobicContact CE2-CD2 4.19Å; F319-L342 HydrophobicContact CZ-CD1 4.28Å; F319-L344 HydrophobicContact CD1-CD1 3.83Å; F319-L344 HydrophobicContact CD1-CD2 4.13Å; F319-L344 HydrophobicContact CE1-CD1 3.39Å; F319-L344 HydrophobicContact CE1-CD2 4.25Å; F319-L344 HydrophobicContact CE1-CG 4.48Å; F319-L344 HydrophobicContact CG-CD2 4.48Å; F319-L344 HydrophobicContact CZ-CD1 4.12Å; F319-I353 HydrophobicContact CD1-CG2 3.7Å; F319-I353 HydrophobicContact CE1-CB 4.48Å; F319-I353 HydrophobicContact CE1-CG2 3.59Å; F319-I353 HydrophobicContact CG-CG2 4.41Å; F319-I353 HydrophobicContact CZ-CG2 4.23Å; F319-V354 HydrophobicContact CE1-CG2 3.92Å; F319-V354 HydrophobicContact CZ-CG2 4.43Å; F319-L357 HydrophobicContact CE1-CD1 4.31Å; F319-L357 HydrophobicContact CE2-CD1 4.04Å; F319-L357 HydrophobicContact CZ-CD1 3.63Å
320P82.8Confident84.3Confident58 Ų5863.6 Ų63.638%0.37733%0.334SS..  trans-64.1147.3177.3-17.531.2000111.1G322 S323 N350 I353P320-G322 PolarHBondContact O-N 2.81Å; P320-S323 WeakPolarHBondContact O-CB 3.44Å; P320-S323 PolarHBondContact O-N 2.83Å; P320-S323 PolarHBondContact O-OG 3.05Å; P320-N350 WeakPolarHBondContact CD-OD1 3.48Å; P320-I353 HydrophobicContact CG-CD1 4.09Å
321L78Confident84.4Confident182 Ų18268.6 Ų68.695%0.95337%0.367SS*.THydrogen-bonded Turntrans-51.6134.1175.4-64.9174.7000110.8S323L321-S323 VanDerWaalsContact C-N 3.26Å; L321-S323 PolarHBondContact O-N 2.77Å
322G78.4Confident84.2Confident50 Ų5065.1 Ų65.152%0.51535%0.354SS..THydrogen-bonded Turntrans70.47.3-176.200000116.3P320 K345P320-G322 PolarHBondContact O-N 2.81Å; G322-K345 WeakPolarHBondContact O-CD 3.3Å; G322-K345 WeakPolarHBondContact O-CE 3.46Å; G322-K345 PolarHBondContact O-NZ 2.96Å
323S85.7Confident84.1Confident11 Ų1169.5 Ų69.58%0.07739%0.388CS..  trans-82.3-29.6172.8-78.30000114.3P320 L321 K345 N350P320-S323 WeakPolarHBondContact O-CB 3.44Å; P320-S323 PolarHBondContact O-N 2.83Å; P320-S323 PolarHBondContact O-OG 3.05Å; L321-S323 VanDerWaalsContact C-N 3.26Å; L321-S323 PolarHBondContact O-N 2.77Å; S323-K345 PolarHBondContact O-N 2.7Å; S323-N350 VanDerWaalsContact CB-ND2 3.32Å; S323-N350 WeakPolarHBondContact CB-ND2 3.44Å; S323-N350 VanDerWaalsContact CB-OD1 3.31Å; S323-N350 WeakPolarHBondContact CB-OD1 3.33Å; S323-N350 PolarHBondContact OG-ND2 3.41Å; S323-N350 PolarHBondContact OG-OD1 3.36Å
324I85.9Confident83.9Confident39 Ų3968.7 Ų68.720%0.238%0.383CS..EExtended strand (participates in β ladder)trans-79.8131.7173.2-49.3177.8000108.1R316 F319 E326 Y327 L342 L344R316-I324 HydrophobicContact CB-CD1 4.17Å; R316-I324 HydrophobicContact CG-CD1 4Å; F319-I324 HydrophobicContact CB-CD1 4.16Å; F319-I324 HydrophobicContact CB-CG1 3.97Å; F319-I324 HydrophobicContact CD2-CD1 4.04Å; F319-I324 HydrophobicContact CD2-CG1 4.38Å; F319-I324 HydrophobicContact CG-CD1 4.34Å; F319-I324 HydrophobicContact CG-CG1 4.24Å; I324-E326 WeakPolarHBondContact CG2-O 3.46Å; I324-Y327 HydrophobicContact CD1-CD2 4.43Å; I324-L342 HydrophobicContact CD1-CD2 3.97Å; I324-L342 HydrophobicContact CG1-CD2 4.3Å; I324-L342 HydrophobicContact CG2-CD2 4.07Å; I324-L344 HydrophobicContact CB-CD2 4.21Å; I324-L344 HydrophobicContact CG1-CD2 3.8Å; I324-L344 HydrophobicContact CG2-CD2 4.35Å
325I83.9Confident83.7Confident87 Ų8771.3 Ų71.345%0.44641%0.408SS..EExtended strand (participates in β ladder)trans-103.9-38.9177.7-56171.2000109.9T298 T343 K345T298-I325 HydrophobicContact CG2-CD1 3.38Å; I325-T343 HydrophobicContact CB-CG2 4.37Å; I325-T343 WeakPolarHBondContact CB-O 3.27Å; I325-T343 HydrophobicContact CD1-CG2 4.5Å; I325-T343 PolarHBondContact N-O 3.21Å; I325-K345 HydrophobicContact CD1-CB 4.42Å; I325-K345 HydrophobicContact CD1-CG 3.66Å; I325-K345 HydrophobicContact CG1-CG 3.76Å
326E82.7Confident83.6Confident72 Ų7274.7 Ų74.734%0.33643%0.431SS..EExtended strand (participates in β ladder)trans-140.2138.8179.8-164.7179.5-178.800108.6I324 T343 K374I324-E326 WeakPolarHBondContact CG2-O 3.46Å; E326-T343 PolarHBondContact N-O 3.33Å; E326-T343 PolarHBondContact O-N 3.19Å; E326-T343 PolarHBondContact OE2-OG1 3.14Å; E326-T343 VanDerWaalsContact OE2-OG1 3.13Å; E326-K374 IonicContact OE1-NZ 2.65Å; E326-K374 PolarHBondContact OE1-NZ 3.01Å; E326-K374 WeakPolarHBondContact OE2-CD 3.3Å; E326-K374 IonicContact OE2-NZ 2.89Å; E326-K374 PolarHBondContact OE2-NZ 3.13Å
327Y87.4Confident83.6Confident36 Ų3671.2 Ų71.214%0.14142%0.423CS..EExtended strand (participates in β ladder)trans-137.1122.6176.1-170-75.4000108.2D312 L315 R316 I324 V340 F341 L342D312-Y327 WeakPolarHBondContact CA-OH 3.38Å; D312-Y327 HydrophobicContact CB-CE1 3.83Å; D312-Y327 WeakPolarHBondContact CB-OH 3.05Å; D312-Y327 VanDerWaalsContact CG-OH 3.31Å; D312-Y327 VanDerWaalsContact OD1-CE1 3.28Å; D312-Y327 WeakPolarHBondContact OD1-CE1 3.47Å; D312-Y327 VanDerWaalsContact OD1-CZ 3.3Å; D312-Y327 PolarHBondContact OD1-OH 3.09Å; L315-Y327 HydrophobicContact CD2-CE2 4.41Å; L315-Y327 WeakPolarHBondContact CD2-OH 3.36Å; R316-Y327 HydrophobicContact CG-CD2 3.86Å; R316-Y327 HydrophobicContact CG-CE2 3.71Å; R316-Y327 VanDerWaalsContact NH2-CD1 3.29Å; I324-Y327 HydrophobicContact CD1-CD2 4.43Å; Y327-V340 HydrophobicContact CD2-CG1 4.5Å; Y327-V340 HydrophobicContact CE1-CG1 3.97Å; Y327-V340 HydrophobicContact CE2-CG1 3.8Å; Y327-V340 VanDerWaalsContact CZ-CG1 3.48Å; Y327-V340 WeakPolarHBondContact OH-CG1 3.38Å; Y327-F341 WeakPolarHBondContact CA-O 3.31Å; Y327-L342 HydrophobicContact CD2-CD2 3.48Å; Y327-L342 VanDerWaalsContact CD2-CD2 3.48Å; Y327-L342 HydrophobicContact CD2-CG 4.2Å; Y327-L342 HydrophobicContact CE2-CD2 3.76Å; Y327-L342 HydrophobicContact CE2-CG 4.3Å
328C84.9Confident83.6Confident56 Ų5665.8 Ų65.838%0.37840%0.396SS..EExtended strand (participates in β ladder)trans-136.9120.6176.9179.50000109.3V330 V340 F341C328-V330 VanDerWaalsContact SG-CG2 3.58Å; C328-V340 CarbonylContact O-C 3.56Å; C328-V340 WeakPolarHBondContact O-CA 3.49Å; C328-F341 HydrophobicContact CB-CB 4.38Å; C328-F341 PolarHBondContact N-O 3.07Å; C328-F341 PolarHBondContact O-N 2.92Å
329S86.2Confident83.7Confident38 Ų3863.7 Ų63.727%0.26639%0.386SS..EExtended strand (participates in β ladder)trans-104.5119.5173.1178.90000108.8R338S329-R338 PolarHBondContact OG-NH1 3.14Å; S329-R338 VanDerWaalsContact OG-NH1 3.08Å
330V84.5Confident83.8Confident59 Ų5963.1 Ų63.136%0.35838%0.384SS..EExtended strand (participates in β ladder)trans-114.3121.9-176.8-174.60000108.6C328 R338 N339 F341C328-V330 VanDerWaalsContact SG-CG2 3.58Å; V330-R338 CarbonylContact O-C 3.59Å; V330-R338 WeakPolarHBondContact O-CA 3.19Å; V330-N339 PolarHBondContact N-O 3.31Å; V330-N339 PolarHBondContact O-N 2.99Å; V330-F341 HydrophobicContact CB-CE2 4.19Å; V330-F341 HydrophobicContact CG2-CD2 3.98Å; V330-F341 HydrophobicContact CG2-CE2 3.76Å
331P82.8Confident84.1Confident105 Ų10562.1 Ų62.168%0.68237%0.374SS*.EExtended strand (participates in β ladder)trans-59.4154.217526-33.7000111.2
332T82.6Confident84.6Confident45 Ų4553.5 Ų53.528%0.27633%0.328SS..  trans-106.5164.3173-36.90000108.7N334 C337 N339T332-N334 CarbonylContact O-C 3.39Å; T332-N334 PolarHBondContact O-N 2.76Å; T332-C337 WeakPolarHBondContact CB-O 3.31Å; T332-C337 PolarHBondContact N-O 3.47Å; T332-C337 PolarHBondContact OG1-O 3.27Å; T332-N339 PolarHBondContact OG1-ND2 2.94Å
333S83.4Confident85.1Confident132 Ų13251.9 Ų51.992%0.92331%0.309SS*.SBendtrans-57.5-3.9173.5-35.40000115.4
334N81.2Confident85.2Confident85 Ų8551.3 Ų51.346%0.45531%0.305SS..SBendtrans-110.8118.3165.1176.9-44.8000107.2T332 S336 C337T332-N334 CarbonylContact O-C 3.39Å; T332-N334 PolarHBondContact O-N 2.76Å; N334-S336 PolarHBondContact O-N 2.85Å; N334-S336 WeakPolarHBondContact OD1-CB 3.45Å; N334-S336 PolarHBondContact OD1-N 3.05Å; N334-C337 HydrophobicContact CB-CB 4.46Å; N334-C337 PolarHBondContact O-N 2.76Å; N334-C337 VanDerWaalsContact O-O 3.09Å
335P80.2Confident85.2Confident115 Ų11553.4 Ų53.475%0.74731%0.313SS*.THydrogen-bonded Turntrans-64.2-24.4-171.425.6-34.9000113.6T308 C337T308-P335 VanDerWaalsContact CG2-O 3.3Å; T308-P335 WeakPolarHBondContact CG2-O 3.44Å; P335-C337 PolarHBondContact O-N 3.18Å
336S83Confident85.3Confident70 Ų7052.6 Ų52.649%0.4931%0.309SS..THydrogen-bonded Turntrans-76.84.9175.8-46.90000113.4T308 N334T308-S336 PolarHBondContact N-O 3.35Å; N334-S336 PolarHBondContact O-N 2.85Å; N334-S336 WeakPolarHBondContact OD1-CB 3.45Å; N334-S336 PolarHBondContact OD1-N 3.05Å
337C85.7Confident85.4Confident29 Ų2952.8 Ų52.820%0.19631%0.311CS..EExtended strand (participates in β ladder)trans-141.2129.9-173-83.80000113.3L306 T332 N334 P335L306-C337 CarbonylContact O-C 3.58Å; L306-C337 WeakPolarHBondContact O-CA 3.34Å; T332-C337 WeakPolarHBondContact CB-O 3.31Å; T332-C337 PolarHBondContact N-O 3.47Å; T332-C337 PolarHBondContact OG1-O 3.27Å; N334-C337 HydrophobicContact CB-CB 4.46Å; N334-C337 PolarHBondContact O-N 2.76Å; N334-C337 VanDerWaalsContact O-O 3.09Å; P335-C337 PolarHBondContact O-N 3.18Å
338R86.2Confident85.3Confident35 Ų3557 Ų5713%0.13234%0.335CS..EExtended strand (participates in β ladder)trans-123.3157.5173.960.7-147.1-168.410718.8112.2K305 L306 I310 D312 S329 V330K305-R338 PolarHBondContact N-O 3.08Å; L306-R338 HydrophobicContact CB-CG 4.26Å; L306-R338 WeakPolarHBondContact CB-O 3.46Å; L306-R338 HydrophobicContact CD2-CG 4.45Å; L306-R338 PolarHBondContact N-O 3.42Å; L306-R338 PolarHBondContact O-N 3.34Å; I310-R338 PolarHBondContact O-NH2 2.9Å; D312-R338 VanDerWaalsContact N-NH2 3.19Å; D312-R338 IonicContact OD1-CZ 3.04Å; D312-R338 VanDerWaalsContact OD1-CZ 3.25Å; D312-R338 IonicContact OD1-NH1 2.67Å; D312-R338 PolarHBondContact OD1-NH1 3.26Å; D312-R338 IonicContact OD1-NH2 2.64Å; D312-R338 PolarHBondContact OD1-NH2 3.09Å; D312-R338 IonicContact OD2-CZ 2.74Å; D312-R338 IonicContact OD2-NH1 2.62Å; D312-R338 PolarHBondContact OD2-NH1 3.22Å; D312-R338 IonicContact OD2-NH2 2.79Å; S329-R338 PolarHBondContact OG-NH1 3.14Å; S329-R338 VanDerWaalsContact OG-NH1 3.08Å; V330-R338 CarbonylContact O-C 3.59Å; V330-R338 WeakPolarHBondContact O-CA 3.19Å
339N87.1Confident85.4Confident22 Ų2257.3 Ų57.312%0.11834%0.338CS..EExtended strand (participates in β ladder)trans-108.1117.7174-59.8-71.5000108.6I303 C304 K305 V330 T332 F341I303-N339 CarbonylContact O-C 3.59Å; I303-N339 WeakPolarHBondContact O-CA 3.18Å; C304-N339 WeakPolarHBondContact CA-OD1 3.34Å; K305-N339 PolarHBondContact N-OD1 2.86Å; V330-N339 PolarHBondContact N-O 3.31Å; V330-N339 PolarHBondContact O-N 2.99Å; T332-N339 PolarHBondContact OG1-ND2 2.94Å; N339-F341 HydrophobicContact CB-CE2 4.04Å
340V88.5Confident85.4Confident0 Ų055.5 Ų55.50%033%0.325CS..EExtended strand (participates in β ladder)trans-99.4129.4178.4178.80000110K302 I303 L306 L315 Y327 C328 L342K302-V340 CarbonylContact C-O 3.13Å; K302-V340 WeakPolarHBondContact CA-O 3.34Å; I303-V340 HydrophobicContact CB-CB 4.38Å; I303-V340 PolarHBondContact N-O 2.8Å; I303-V340 PolarHBondContact O-N 3.35Å; L306-V340 HydrophobicContact CD2-CG2 3.52Å; L315-V340 HydrophobicContact CD2-CB 4.2Å; L315-V340 HydrophobicContact CD2-CG1 3.91Å; L315-V340 HydrophobicContact CD2-CG2 4.21Å; Y327-V340 HydrophobicContact CD2-CG1 4.5Å; Y327-V340 HydrophobicContact CE1-CG1 3.97Å; Y327-V340 HydrophobicContact CE2-CG1 3.8Å; Y327-V340 VanDerWaalsContact CZ-CG1 3.48Å; Y327-V340 WeakPolarHBondContact OH-CG1 3.38Å; C328-V340 CarbonylContact O-C 3.56Å; C328-V340 WeakPolarHBondContact O-CA 3.49Å; V340-L342 HydrophobicContact CG1-CD1 4.21Å; V340-L342 HydrophobicContact CG1-CG 4.15Å
341F89Confident85.5Confident37 Ų3756 Ų5616%0.16232%0.324CS..EExtended strand (participates in β ladder)trans-108.4123.4174.1-58.4-98.3000108.9I301 K302 Y327 C328 V330 N339 W372I301-F341 WeakPolarHBondContact O-CA 3.3Å; K302-F341 HydrophobicContact CB-CD1 4.1Å; K302-F341 HydrophobicContact CB-CE1 4.16Å; K302-F341 HydrophobicContact CD-CD1 4.37Å; K302-F341 HydrophobicContact CD-CE1 3.6Å; K302-F341 HydrophobicContact CD-CZ 3.91Å; K302-F341 HydrophobicContact CG-CD1 3.98Å; K302-F341 HydrophobicContact CG-CE1 3.69Å; K302-F341 HydrophobicContact CG-CZ 4.12Å; Y327-F341 WeakPolarHBondContact CA-O 3.31Å; C328-F341 HydrophobicContact CB-CB 4.38Å; C328-F341 PolarHBondContact N-O 3.07Å; C328-F341 PolarHBondContact O-N 2.92Å; V330-F341 HydrophobicContact CB-CE2 4.19Å; V330-F341 HydrophobicContact CG2-CD2 3.98Å; V330-F341 HydrophobicContact CG2-CE2 3.76Å; N339-F341 HydrophobicContact CB-CE2 4.04Å; F341-W372 AromaticContact CD1-CD2 3.86Å; F341-W372 HydrophobicContact CD1-CD2 3.86Å; F341-W372 AromaticContact CD1-CE2 3.64Å; F341-W372 HydrophobicContact CD1-CE3 4.41Å; F341-W372 HydrophobicContact CD1-CG 4.11Å; F341-W372 HydrophobicContact CD1-CZ2 4.04Å; F341-W372 AromaticContact CD1-NE1 3.75Å; F341-W372 AromaticContact CE1-CD2 3.93Å; F341-W372 HydrophobicContact CE1-CD2 3.93Å; F341-W372 AromaticContact CE1-CE2 3.75Å; F341-W372 HydrophobicContact CE1-CE3 4.05Å; F341-W372 AromaticContact CE1-CH2 3.87Å; F341-W372 HydrophobicContact CE1-CH2 3.87Å; F341-W372 AromaticContact CE1-CZ2 3.72Å; F341-W372 HydrophobicContact CE1-CZ2 3.72Å; F341-W372 HydrophobicContact CE1-CZ3 4.03Å
342L88.6Confident85.7Confident0 Ų055.9 Ų55.90%032%0.317CS..EExtended strand (participates in β ladder)trans-119.6122.7-179.9-76.9144.7000108.7G300 I301 I303 L315 F319 I324 Y327 V340 L344G300-L342 CarbonylContact C-O 3.54Å; G300-L342 VanDerWaalsContact CA-O 3.26Å; G300-L342 WeakPolarHBondContact CA-O 3.37Å; I301-L342 HydrophobicContact CB-CB 4.32Å; I301-L342 PolarHBondContact N-O 3.45Å; I301-L342 PolarHBondContact O-N 3.43Å; I303-L342 HydrophobicContact CD1-CD1 3.82Å; I303-L342 HydrophobicContact CG1-CD1 4.28Å; L315-L342 HydrophobicContact CD2-CD1 4.47Å; F319-L342 HydrophobicContact CE2-CD1 4.14Å; F319-L342 HydrophobicContact CE2-CD2 4.19Å; F319-L342 HydrophobicContact CZ-CD1 4.28Å; I324-L342 HydrophobicContact CD1-CD2 3.97Å; I324-L342 HydrophobicContact CG1-CD2 4.3Å; I324-L342 HydrophobicContact CG2-CD2 4.07Å; Y327-L342 HydrophobicContact CD2-CD2 3.48Å; Y327-L342 VanDerWaalsContact CD2-CD2 3.48Å; Y327-L342 HydrophobicContact CD2-CG 4.2Å; Y327-L342 HydrophobicContact CE2-CD2 3.76Å; Y327-L342 HydrophobicContact CE2-CG 4.3Å; V340-L342 HydrophobicContact CG1-CD1 4.21Å; V340-L342 HydrophobicContact CG1-CG 4.15Å; L342-L344 HydrophobicContact CB-CD2 4.31Å; L342-L344 HydrophobicContact CB-CG 4.48Å; L342-L344 HydrophobicContact CD2-CD2 4.21Å
343T88.1Confident86Confident16 Ų1655.3 Ų55.310%0.09831%0.312CS..EExtended strand (participates in β ladder)trans-100.9117.1164.7-55.90000107.8T298 I325 E326T298-T343 HydrophobicContact CG2-CG2 4.08Å; I325-T343 HydrophobicContact CB-CG2 4.37Å; I325-T343 WeakPolarHBondContact CB-O 3.27Å; I325-T343 HydrophobicContact CD1-CG2 4.5Å; I325-T343 PolarHBondContact N-O 3.21Å; E326-T343 PolarHBondContact N-O 3.33Å; E326-T343 PolarHBondContact O-N 3.19Å; E326-T343 PolarHBondContact OE2-OG1 3.14Å; E326-T343 VanDerWaalsContact OE2-OG1 3.13Å
344L87.7Confident86.2Confident0 Ų050.1 Ų50.10%028%0.275CS..EExtended strand (participates in β ladder)trans-110.7150.6-175.8-57.2-176.8000111.5T298 F299 I301 F319 I324 L342 N346 N350 V354T298-L344 CarbonylContact C-O 3.51Å; T298-L344 VanDerWaalsContact CA-O 3.24Å; T298-L344 WeakPolarHBondContact CA-O 3.29Å; F299-L344 HydrophobicContact CD1-CB 4.17Å; F299-L344 HydrophobicContact CE1-CB 3.8Å; F299-L344 HydrophobicContact CE1-CD1 4.34Å; F299-L344 HydrophobicContact CE2-CD1 4.23Å; F299-L344 HydrophobicContact CZ-CB 4.12Å; F299-L344 HydrophobicContact CZ-CD1 3.82Å; F299-L344 PolarHBondContact N-O 3.41Å; F299-L344 PolarHBondContact O-N 3.21Å; I301-L344 HydrophobicContact CD1-CD1 3.59Å; I301-L344 HydrophobicContact CD1-CG 4.32Å; F319-L344 HydrophobicContact CD1-CD1 3.83Å; F319-L344 HydrophobicContact CD1-CD2 4.13Å; F319-L344 HydrophobicContact CE1-CD1 3.39Å; F319-L344 HydrophobicContact CE1-CD2 4.25Å; F319-L344 HydrophobicContact CE1-CG 4.48Å; F319-L344 HydrophobicContact CG-CD2 4.48Å; F319-L344 HydrophobicContact CZ-CD1 4.12Å; I324-L344 HydrophobicContact CB-CD2 4.21Å; I324-L344 HydrophobicContact CG1-CD2 3.8Å; I324-L344 HydrophobicContact CG2-CD2 4.35Å; L342-L344 HydrophobicContact CB-CD2 4.31Å; L342-L344 HydrophobicContact CB-CG 4.48Å; L342-L344 HydrophobicContact CD2-CD2 4.21Å; L344-N346 PolarHBondContact O-N 2.95Å; L344-N350 HydrophobicContact CD1-CB 4.22Å; L344-V354 HydrophobicContact CD1-CG2 3.89Å
345K85.9Confident86.5Confident83 Ų8351.4 Ų51.436%0.36128%0.276SS..EExtended strand (participates in β ladder)trans-60.7131.4163.4-67.3175.8179.5164.90109.3G322 S323 I325 I347 N350G322-K345 WeakPolarHBondContact O-CD 3.3Å; G322-K345 WeakPolarHBondContact O-CE 3.46Å; G322-K345 PolarHBondContact O-NZ 2.96Å; S323-K345 PolarHBondContact O-N 2.7Å; I325-K345 HydrophobicContact CD1-CB 4.42Å; I325-K345 HydrophobicContact CD1-CG 3.66Å; I325-K345 HydrophobicContact CG1-CG 3.76Å; K345-I347 HydrophobicContact CB-CD1 3.72Å; K345-I347 HydrophobicContact CB-CG1 3.94Å; K345-I347 HydrophobicContact CD-CD1 4.22Å; K345-I347 PolarHBondContact O-N 2.81Å; K345-N350 PolarHBondContact O-ND2 2.82Å
346N85.5Confident86.8Confident69 Ų6951.8 Ų51.837%0.36927%0.266SS..  trans-74.665.7-179.4-170.615.4000112.1S297 F299 L344 Q351S297-N346 WeakPolarHBondContact O-CB 3.38Å; S297-N346 PolarHBondContact O-N 2.96Å; S297-N346 PolarHBondContact OG-ND2 3.06Å; F299-N346 HydrophobicContact CD1-CB 4.06Å; L344-N346 PolarHBondContact O-N 2.95Å; N346-Q351 PolarHBondContact OD1-NE2 2.99Å
347I84.2Confident87Confident76 Ų7648.6 Ų48.639%0.3924%0.244SC..  trans-107.2143.4179.3-57.5170000107.9K345 S349 N350 Q351K345-I347 HydrophobicContact CB-CD1 3.72Å; K345-I347 HydrophobicContact CB-CG1 3.94Å; K345-I347 HydrophobicContact CD-CD1 4.22Å; K345-I347 PolarHBondContact O-N 2.81Å; I347-S349 PolarHBondContact O-N 3.44Å; I347-N350 WeakPolarHBondContact O-CB 3.14Å; I347-N350 PolarHBondContact O-N 3.02Å; I347-Q351 PolarHBondContact O-N 3.27Å; I347-Q351 VanDerWaalsContact O-N 3.13Å
348I86Confident87Confident124 Ų12455.3 Ų55.364%0.63627%0.265SS*.Hα-helixtrans-54-42.1-178.1-60.6175000111.3N350 Q351 L352I348-N350 VanDerWaalsContact C-N 3.32Å; I348-N350 PolarHBondContact O-N 3.17Å; I348-Q351 WeakPolarHBondContact O-CB 3.47Å; I348-Q351 PolarHBondContact O-N 2.93Å; I348-Q351 VanDerWaalsContact O-N 3.12Å; I348-L352 HydrophobicContact CG2-CD1 4.02Å; I348-L352 HydrophobicContact CG2-CG 4.29Å; I348-L352 WeakPolarHBondContact O-CG 3.38Å; I348-L352 PolarHBondContact O-N 3.25Å
349S87Confident86.9Confident63 Ų6363.8 Ų63.844%0.44130%0.297SS..Hα-helixtrans-54.2-45.1175.9-42.40000112.6I347 L352 I353I347-S349 PolarHBondContact O-N 3.44Å; S349-L352 PolarHBondContact O-N 2.86Å; S349-I353 WeakPolarHBondContact O-CD1 3.43Å; S349-I353 WeakPolarHBondContact O-CG1 3.43Å; S349-I353 PolarHBondContact O-N 2.99Å
350N87.1Confident86.5Confident0 Ų070.8 Ų70.80%033%0.326CS..Hα-helixtrans-66.6-42.6177.4-66.2-26.6000111F299 P320 S323 L344 K345 I347 I348 L352 I353 V354F299-N350 HydrophobicContact CE1-CB 3.99Å; F299-N350 HydrophobicContact CZ-CB 4Å; P320-N350 WeakPolarHBondContact CD-OD1 3.48Å; S323-N350 VanDerWaalsContact CB-ND2 3.32Å; S323-N350 WeakPolarHBondContact CB-ND2 3.44Å; S323-N350 VanDerWaalsContact CB-OD1 3.31Å; S323-N350 WeakPolarHBondContact CB-OD1 3.33Å; S323-N350 PolarHBondContact OG-ND2 3.41Å; S323-N350 PolarHBondContact OG-OD1 3.36Å; L344-N350 HydrophobicContact CD1-CB 4.22Å; K345-N350 PolarHBondContact O-ND2 2.82Å; I347-N350 WeakPolarHBondContact O-CB 3.14Å; I347-N350 PolarHBondContact O-N 3.02Å; I348-N350 VanDerWaalsContact C-N 3.32Å; I348-N350 PolarHBondContact O-N 3.17Å; N350-L352 VanDerWaalsContact C-N 3.26Å; N350-L352 PolarHBondContact O-N 2.97Å; N350-I353 PolarHBondContact O-N 3.17Å; N350-V354 WeakPolarHBondContact O-CB 3.35Å; N350-V354 WeakPolarHBondContact O-CG2 3.44Å; N350-V354 PolarHBondContact O-N 3.02Å
351Q85.9Confident86.1Confident70 Ų7071.1 Ų71.133%0.32733%0.33SS..Hα-helixtrans-61.4-33.8174.4-61.4-171.913.900112.9F299 N346 I347 I348 K355F299-Q351 HydrophobicContact CE1-CG 4.28Å; F299-Q351 HydrophobicContact CZ-CG 4.14Å; N346-Q351 PolarHBondContact OD1-NE2 2.99Å; I347-Q351 PolarHBondContact O-N 3.27Å; I347-Q351 VanDerWaalsContact O-N 3.13Å; I348-Q351 WeakPolarHBondContact O-CB 3.47Å; I348-Q351 PolarHBondContact O-N 2.93Å; I348-Q351 VanDerWaalsContact O-N 3.12Å; Q351-K355 VanDerWaalsContact O-CD 3.28Å; Q351-K355 WeakPolarHBondContact O-CD 3.48Å; Q351-K355 WeakPolarHBondContact O-CG 3.38Å; Q351-K355 PolarHBondContact O-N 2.93Å
352L87.7Confident85.7Confident103 Ų10369.7 Ų69.754%0.53932%0.324SS..Hα-helixtrans-72.1-44.5176.6-70.8172.3000111.8I348 S349 N350 V354 K355 K356I348-L352 HydrophobicContact CG2-CD1 4.02Å; I348-L352 HydrophobicContact CG2-CG 4.29Å; I348-L352 WeakPolarHBondContact O-CG 3.38Å; I348-L352 PolarHBondContact O-N 3.25Å; S349-L352 PolarHBondContact O-N 2.86Å; N350-L352 VanDerWaalsContact C-N 3.26Å; N350-L352 PolarHBondContact O-N 2.97Å; L352-V354 VanDerWaalsContact C-N 3.31Å; L352-V354 PolarHBondContact O-N 3.05Å; L352-K355 CarbonylContact O-C 3.45Å; L352-K355 WeakPolarHBondContact O-CB 3.24Å; L352-K355 PolarHBondContact O-N 2.82Å; L352-K355 VanDerWaalsContact O-N 3.16Å; L352-K356 PolarHBondContact O-N 2.81Å
353I87.5Confident84.8Confident33 Ų3374.1 Ų74.117%0.16935%0.347CS..Hα-helixtrans-58.7-43.8175-73.1162.7000110.8Q318 F319 P320 S349 N350 K355 K356 L357Q318-I353 WeakPolarHBondContact O-CG2 3.4Å; F319-I353 HydrophobicContact CD1-CG2 3.7Å; F319-I353 HydrophobicContact CE1-CB 4.48Å; F319-I353 HydrophobicContact CE1-CG2 3.59Å; F319-I353 HydrophobicContact CG-CG2 4.41Å; F319-I353 HydrophobicContact CZ-CG2 4.23Å; P320-I353 HydrophobicContact CG-CD1 4.09Å; S349-I353 WeakPolarHBondContact O-CD1 3.43Å; S349-I353 WeakPolarHBondContact O-CG1 3.43Å; S349-I353 PolarHBondContact O-N 2.99Å; N350-I353 PolarHBondContact O-N 3.17Å; I353-K355 VanDerWaalsContact C-N 3.32Å; I353-K355 PolarHBondContact O-N 2.96Å; I353-K356 CarbonylContact O-C 3.53Å; I353-K356 WeakPolarHBondContact O-CA 3.1Å; I353-K356 WeakPolarHBondContact O-CB 3.43Å; I353-K356 PolarHBondContact O-N 3.03Å; I353-L357 HydrophobicContact CG2-CD1 3.86Å; I353-L357 HydrophobicContact CG2-CG 4.3Å; I353-L357 WeakPolarHBondContact O-CG 3.38Å; I353-L357 PolarHBondContact O-N 3.33Å
354V87.7Confident84.1Confident23 Ų2382.7 Ų82.714%0.13939%0.386CS..Hα-helixtrans-63.9-37.2177.5172.80000111.9F299 I301 F319 L344 N350 L352 R358 M369F299-V354 HydrophobicContact CE2-CG2 4.11Å; F299-V354 HydrophobicContact CZ-CG2 4.21Å; I301-V354 HydrophobicContact CD1-CB 4.19Å; I301-V354 HydrophobicContact CD1-CG1 3.82Å; I301-V354 HydrophobicContact CD1-CG2 3.24Å; F319-V354 HydrophobicContact CE1-CG2 3.92Å; F319-V354 HydrophobicContact CZ-CG2 4.43Å; L344-V354 HydrophobicContact CD1-CG2 3.89Å; N350-V354 WeakPolarHBondContact O-CB 3.35Å; N350-V354 WeakPolarHBondContact O-CG2 3.44Å; N350-V354 PolarHBondContact O-N 3.02Å; L352-V354 VanDerWaalsContact C-N 3.31Å; L352-V354 PolarHBondContact O-N 3.05Å; V354-R358 VanDerWaalsContact O-CB 3.3Å; V354-R358 WeakPolarHBondContact O-CB 3.26Å; V354-R358 PolarHBondContact O-N 3.43Å; V354-M369 HydrophobicContact CG1-CE 4.02Å
355K87.2Confident83.4Confident111 Ų11186.7 Ų86.748%0.48341%0.405SS..Hα-helixtrans-69-32172.1-70162-170.5164.40112.4Q351 L352 I353 R359Q351-K355 VanDerWaalsContact O-CD 3.28Å; Q351-K355 WeakPolarHBondContact O-CD 3.48Å; Q351-K355 WeakPolarHBondContact O-CG 3.38Å; Q351-K355 PolarHBondContact O-N 2.93Å; L352-K355 CarbonylContact O-C 3.45Å; L352-K355 WeakPolarHBondContact O-CB 3.24Å; L352-K355 PolarHBondContact O-N 2.82Å; L352-K355 VanDerWaalsContact O-N 3.16Å; I353-K355 VanDerWaalsContact C-N 3.32Å; I353-K355 PolarHBondContact O-N 2.96Å; K355-R359 WeakPolarHBondContact O-CD 3.36Å; K355-R359 WeakPolarHBondContact O-CG 3.27Å
356K86.8Confident83.2Confident124 Ų12493.1 Ų93.154%0.53943%0.427SS..Hα-helixtrans-69.4-51.5174.6-173.9-172.7177.6-168.90110.9L352 I353 R358 R359 K360L352-K356 PolarHBondContact O-N 2.81Å; I353-K356 CarbonylContact O-C 3.53Å; I353-K356 WeakPolarHBondContact O-CA 3.1Å; I353-K356 WeakPolarHBondContact O-CB 3.43Å; I353-K356 PolarHBondContact O-N 3.03Å; K356-R358 PolarHBondContact O-N 3.27Å; K356-R359 PolarHBondContact O-N 3.36Å; K356-K360 PolarHBondContact O-N 2.89Å
357L87.5Confident83.1Confident3 Ų390.5 Ų90.52%0.01641%0.413CS..Hα-helixtrans-60.6-43178.9-70.2172.7000112.5Q318 F319 I353 R359 G361 I362 L367 M369Q318-L357 HydrophobicContact CB-CD1 4.04Å; Q318-L357 HydrophobicContact CB-CD2 4.05Å; Q318-L357 HydrophobicContact CG-CD2 3.82Å; F319-L357 HydrophobicContact CE1-CD1 4.31Å; F319-L357 HydrophobicContact CE2-CD1 4.04Å; F319-L357 HydrophobicContact CZ-CD1 3.63Å; I353-L357 HydrophobicContact CG2-CD1 3.86Å; I353-L357 HydrophobicContact CG2-CG 4.3Å; I353-L357 WeakPolarHBondContact O-CG 3.38Å; I353-L357 PolarHBondContact O-N 3.33Å; L357-R359 PolarHBondContact O-N 3.27Å; L357-R359 VanDerWaalsContact O-N 3.14Å; L357-G361 WeakPolarHBondContact O-CA 3.49Å; L357-G361 PolarHBondContact O-N 2.93Å; L357-I362 HydrophobicContact CD2-CD1 4.12Å; L357-I362 HydrophobicContact CD2-CG1 3.8Å; L357-L367 HydrophobicContact CB-CD1 4.36Å; L357-L367 HydrophobicContact CD2-CD1 4.47Å; L357-M369 HydrophobicContact CB-CE 4.13Å; L357-M369 HydrophobicContact CB-SD 3.7Å; L357-M369 HydrophobicContact CD1-CE 4.34Å
358R85.2Confident83.1Confident169 Ų16992.1 Ų92.164%0.63842%0.418SS*.Hα-helixtrans-64.7-16175.9-169.4173177.7-163.3-1.5113.7V354 K356 M369V354-R358 VanDerWaalsContact O-CB 3.3Å; V354-R358 WeakPolarHBondContact O-CB 3.26Å; V354-R358 PolarHBondContact O-N 3.43Å; K356-R358 PolarHBondContact O-N 3.27Å; R358-M369 HydrophobicContact CB-SD 3.87Å; R358-M369 PolarHBondContact N-SD 3.36Å
359R83.8Confident83.3Confident213 Ų21386.8 Ų86.880%0.80439%0.391SS*.Hα-helixtrans-100.3-51.6177.3-73.9175.1172.3-179-4.3112.9K355 K356 L357K355-R359 WeakPolarHBondContact O-CD 3.36Å; K355-R359 WeakPolarHBondContact O-CG 3.27Å; K356-R359 PolarHBondContact O-N 3.36Å; L357-R359 PolarHBondContact O-N 3.27Å; L357-R359 VanDerWaalsContact O-N 3.14Å
360K79.8Confident83.1Confident169 Ų16988.3 Ų88.374%0.73539%0.391SS*.Hα-helixtrans-86.9-20-175.3-67.8-153.6174.2-158.20114.2K356K356-K360 PolarHBondContact O-N 2.89Å
361G80.8Confident82.9Confident8 Ų893.3 Ų93.38%0.08243%0.426CS..  trans71-160.4-167.400000112.6L357 H365L357-G361 WeakPolarHBondContact O-CA 3.49Å; L357-G361 PolarHBondContact O-N 2.93Å; G361-H365 WeakPolarHBondContact CA-O 3.42Å
362I79.6Confident82.6Confident6 Ų694.8 Ų94.83%0.03143%0.429CS..BIsolated β-bridgetrans-126.7132.6161.5-69.5171.1000105.5I310 L315 Q318 L357 Q364 H365 L367I310-I362 HydrophobicContact CD1-CB 4.05Å; I310-I362 HydrophobicContact CD1-CG2 4.17Å; I310-I362 HydrophobicContact CG1-CG2 4.26Å; I310-I362 HydrophobicContact CG2-CD1 4.35Å; I310-I362 HydrophobicContact CG2-CG2 4.15Å; L315-I362 HydrophobicContact CB-CD1 4.17Å; L315-I362 HydrophobicContact CD1-CD1 3.64Å; L315-I362 HydrophobicContact CG-CD1 4.49Å; Q318-I362 HydrophobicContact CG-CD1 3.88Å; Q318-I362 HydrophobicContact CG-CG1 4.32Å; L357-I362 HydrophobicContact CD2-CD1 4.12Å; L357-I362 HydrophobicContact CD2-CG1 3.8Å; I362-Q364 PolarHBondContact O-N 3.17Å; I362-H365 PolarHBondContact N-O 3.21Å; I362-H365 WeakPolarHBondContact O-CB 3.39Å; I362-H365 PolarHBondContact O-N 3.32Å; I362-L367 HydrophobicContact CD1-CD1 3.95Å; I362-L367 HydrophobicContact CG1-CD1 3.98Å
363D70.3Confident81.9Confident93 Ų9397.8 Ų97.850%0.49743%0.434SS..THydrogen-bonded Turntrans4556.4176.1-48.6-19.2000113R314 H365R314-D363 IonicContact CZ-OD2 2.68Å; R314-D363 IonicContact NE-OD2 2.65Å; R314-D363 PolarHBondContact NE-OD2 3.06Å; R314-D363 IonicContact NH2-OD2 3.02Å; R314-D363 PolarHBondContact NH2-OD2 3.06Å; D363-H365 PolarHBondContact O-CD2 2.92Å; D363-H365 PolarHBondContact O-N 3.34Å
364Q72.4Confident80.6Confident196 Ų196102 Ų10292%0.91645%0.451SS*.THydrogen-bonded Turntrans63.9-16.3-176.2-50.7-175.93.700116.1I362 R366I362-Q364 PolarHBondContact O-N 3.17Å; Q364-R366 PolarHBondContact O-N 3.01Å
365H73.6Confident78.9Confident85 Ų85108 Ų10839%0.39448%0.475SS..BIsolated β-bridgetrans-74.4115.4175.6-58.4-67.7000112.1I310 G361 I362 D363 L367I310-H365 HydrophobicContact CD1-CB 3.87Å; G361-H365 WeakPolarHBondContact CA-O 3.42Å; I362-H365 PolarHBondContact N-O 3.21Å; I362-H365 WeakPolarHBondContact O-CB 3.39Å; I362-H365 PolarHBondContact O-N 3.32Å; D363-H365 PolarHBondContact O-CD2 2.92Å; D363-H365 PolarHBondContact O-N 3.34Å; H365-L367 PolarHBondContact O-N 3.19Å
366R80.9Confident76.4Confident218 Ų218109.3 Ų109.382%0.82349%0.488SS*.  trans-76.7106.4-177.4-161.1178.579.3176.43.4112.4Q364 H368Q364-R366 PolarHBondContact O-N 3.01Å; R366-H368 PolarHBondContact O-N 3.01Å
367L84.6Confident73.7Confident13 Ų13111.9 Ų111.97%0.06850%0.499CS..  trans-67.8123.3-175.1-58.6-176.8000113.7I303 L306 I310 L357 I362 H365 M369I303-L367 HydrophobicContact CD1-CD1 4.38Å; I303-L367 HydrophobicContact CG2-CB 4.19Å; I303-L367 HydrophobicContact CG2-CD2 4.23Å; L306-L367 HydrophobicContact CD1-CD2 3.41Å; L306-L367 VanDerWaalsContact CD1-CD2 3.41Å; I310-L367 HydrophobicContact CD1-CD2 4.2Å; L357-L367 HydrophobicContact CB-CD1 4.36Å; L357-L367 HydrophobicContact CD2-CD1 4.47Å; I362-L367 HydrophobicContact CD1-CD1 3.95Å; I362-L367 HydrophobicContact CG1-CD1 3.98Å; H365-L367 PolarHBondContact O-N 3.19Å; L367-M369 HydrophobicContact CB-CG 3.87Å; L367-M369 HydrophobicContact CB-SD 4.31Å; L367-M369 PolarHBondContact O-N 3.05Å
368H83.9Confident70.9Confident110 Ų110121 Ų12151%0.50954%0.539SS..EExtended strand (participates in β ladder)trans-83.180.9174.1-174.6-78.9000111.5C304 R366C304-H368 HydrophobicContact CB-CB 4.43Å; C304-H368 PolarHBondContact N-O 3.17Å; R366-H368 PolarHBondContact O-N 3.01Å
369M89.4Confident68.4Low12 Ų12118.4 Ų118.46%0.05955%0.547CS..EExtended strand (participates in β ladder)trans-88.5122.6-177.1-52.5179.180.300112.2I301 I303 V354 L357 R358 L367I301-M369 HydrophobicContact CD1-CE 4.42Å; I301-M369 HydrophobicContact CG2-CB 4.35Å; I301-M369 HydrophobicContact CG2-CE 3.9Å; I303-M369 HydrophobicContact CD1-CE 4.1Å; I303-M369 HydrophobicContact CG1-CE 4.33Å; I303-M369 HydrophobicContact CG1-CG 4.23Å; V354-M369 HydrophobicContact CG1-CE 4.02Å; L357-M369 HydrophobicContact CB-CE 4.13Å; L357-M369 HydrophobicContact CB-SD 3.7Å; L357-M369 HydrophobicContact CD1-CE 4.34Å; R358-M369 HydrophobicContact CB-SD 3.87Å; R358-M369 PolarHBondContact N-SD 3.36Å; L367-M369 HydrophobicContact CB-CG 3.87Å; L367-M369 HydrophobicContact CB-SD 4.31Å; L367-M369 PolarHBondContact O-N 3.05Å
370Q83.9Confident65.9Low95 Ų95115.6 Ų115.644%0.44454%0.542SS..EExtended strand (participates in β ladder)trans-108.6149.6170.1-67.3-177.1-36.900110.6I301 K302 C304 W372I301-Q370 WeakPolarHBondContact CA-O 3.48Å; K302-Q370 PolarHBondContact N-O 3.17Å; K302-Q370 PolarHBondContact O-N 3.21Å; C304-Q370 PolarHBondContact SG-OE1 2.83Å; Q370-W372 PolarHBondContact O-N 3.14Å
371S83.3Confident63.7Low105 Ų105114.7 Ų114.773%0.73454%0.538SS*.EExtended strand (participates in β ladder)trans-66.9129.3165.7-172.70000108.8
372W79.8Confident61.4Low101 Ų101120.2 Ų120.238%0.38357%0.565SS.*EExtended strand (participates in β ladder)trans-116.4140.8175.7-179.9-108.6000109.1G300 K302 F341 Q370G300-W372 CarbonylContact C-O 3.55Å; G300-W372 WeakPolarHBondContact CA-O 3.29Å; G300-W372 PolarHBondContact N-O 3.01Å; G300-W372 VanDerWaalsContact N-O 3.15Å; G300-W372 PolarHBondContact O-N 3.26Å; K302-W372 HydrophobicContact CB-CB 4.07Å; K302-W372 HydrophobicContact CB-CE3 4.41Å; K302-W372 HydrophobicContact CB-CG 4.48Å; K302-W372 HydrophobicContact CD-CE3 4.43Å; F341-W372 AromaticContact CD1-CD2 3.86Å; F341-W372 HydrophobicContact CD1-CD2 3.86Å; F341-W372 AromaticContact CD1-CE2 3.64Å; F341-W372 HydrophobicContact CD1-CE3 4.41Å; F341-W372 HydrophobicContact CD1-CG 4.11Å; F341-W372 HydrophobicContact CD1-CZ2 4.04Å; F341-W372 AromaticContact CD1-NE1 3.75Å; F341-W372 AromaticContact CE1-CD2 3.93Å; F341-W372 HydrophobicContact CE1-CD2 3.93Å; F341-W372 AromaticContact CE1-CE2 3.75Å; F341-W372 HydrophobicContact CE1-CE3 4.05Å; F341-W372 AromaticContact CE1-CH2 3.87Å; F341-W372 HydrophobicContact CE1-CH2 3.87Å; F341-W372 AromaticContact CE1-CZ2 3.72Å; F341-W372 HydrophobicContact CE1-CZ2 3.72Å; F341-W372 HydrophobicContact CE1-CZ3 4.03Å; Q370-W372 PolarHBondContact O-N 3.14Å
373Y71.4Confident59.2Low167 Ų167126 Ų12666%0.65559%0.593SS**  trans-120.8121164.839.2-86.5000105.2K375Y373-K375 VanDerWaalsContact C-N 3.34Å; Y373-K375 HydrophobicContact CD2-CG 4.11Å; Y373-K375 HydrophobicContact CE2-CG 4.2Å; Y373-K375 PolarHBondContact O-N 3.28Å
374K61.6Low57.3Low120 Ų120130 Ų13052%0.52261%0.613SS.*  trans-59.1107.1161.9-168.7165.1-179.2171.30104.7E326 N376E326-K374 IonicContact OE1-NZ 2.65Å; E326-K374 PolarHBondContact OE1-NZ 3.01Å; E326-K374 WeakPolarHBondContact OE2-CD 3.3Å; E326-K374 IonicContact OE2-NZ 2.89Å; E326-K374 PolarHBondContact OE2-NZ 3.13Å; K374-N376 PolarHBondContact O-N 2.81Å; K374-N376 PolarHBondContact O-OD1 2.78Å
375K50.2Low55.8Low149 Ų149128.7 Ų128.765%0.64860%0.604SS**  trans-57.9125.9171.8-77.4-176.5178.1178.30105.5Y373 F377Y373-K375 VanDerWaalsContact C-N 3.34Å; Y373-K375 HydrophobicContact CD2-CG 4.11Å; Y373-K375 HydrophobicContact CE2-CG 4.2Å; Y373-K375 PolarHBondContact O-N 3.28Å; K375-F377 PolarHBondContact O-N 3.26Å
376N34.8Very low54Low140 Ų140130 Ų13075%0.74962%0.621SS**  trans-69.377.4170.8-70.812.9000108.4K374 K378K374-N376 PolarHBondContact O-N 2.81Å; K374-N376 PolarHBondContact O-OD1 2.78Å; N376-K378 PolarHBondContact O-N 2.86Å; N376-K378 VanDerWaalsContact O-N 3.1Å
377F31Very low52Low177 Ų177125.2 Ų125.278%0.77662%0.618SS**  trans-48.8114.6143.8-85.5-89.5000105.3K375 S379K375-F377 PolarHBondContact O-N 3.26Å; F377-S379 PolarHBondContact O-N 3.25Å; F377-S379 VanDerWaalsContact O-N 3.07Å
378K29Very low50.1Low195 Ų195134.2 Ų134.285%0.84866%0.656SS**  trans-51.5121169.1-71.6178.5175179.60105.9N376 Q380N376-K378 PolarHBondContact O-N 2.86Å; N376-K378 VanDerWaalsContact O-N 3.1Å; K378-Q380 PolarHBondContact O-N 3.45Å
379S31.9Very low47.9Very low115 Ų115136.1 Ų136.180%0.80467%0.67SS**  trans-53.5101.9-171.6-49.70000110.1F377 K381F377-S379 PolarHBondContact O-N 3.25Å; F377-S379 VanDerWaalsContact O-N 3.07Å; S379-K381 PolarHBondContact O-N 3.45Å
380Q32.5Very low45.9Very low153 Ų153143.7 Ų143.772%0.71571%0.711SS**  trans-69.594.3166-83.9-176.7-31.900105.3K378 L382K378-Q380 PolarHBondContact O-N 3.45Å; Q380-L382 PolarHBondContact O-N 3.13Å
381K32Very low44Very low150 Ų150146.8 Ų146.865%0.65273%0.725SS**  trans-73.178.2-177.9-164.9-160.6-177.8-1570107.8S379 E383S379-K381 PolarHBondContact O-N 3.45Å; K381-E383 HydrophobicContact CD-CG 4.14Å; K381-E383 VanDerWaalsContact CE-OE1 3.25Å; K381-E383 WeakPolarHBondContact CE-OE1 3.39Å; K381-E383 VanDerWaalsContact CE-OE2 3.32Å; K381-E383 WeakPolarHBondContact CE-OE2 3.43Å; K381-E383 HydrophobicContact CG-CG 4.19Å; K381-E383 IonicContact NZ-OE1 3.06Å; K381-E383 PolarHBondContact NZ-OE1 2.95Å; K381-E383 IonicContact NZ-OE2 2.65Å; K381-E383 PolarHBondContact NZ-OE2 3.33Å; K381-E383 PolarHBondContact O-N 3.28Å
382L34.1Very low42.1Very low124 Ų124149.8 Ų149.865%0.64973%0.725SS**  trans-66.673.9170.3-85.3156.7000108.9Q380 L384 C430Q380-L382 PolarHBondContact O-N 3.13Å; L382-L384 PolarHBondContact O-N 2.95Å; L382-C430 HydrophobicContact CD2-CB 4.09Å
383E32.5Very low40.2Very low128 Ų128151.8 Ų151.860%0.59874%0.743SS**  trans-73.3112.2162.2-82.6179.2139.400108.3K381 K385K381-E383 HydrophobicContact CD-CG 4.14Å; K381-E383 VanDerWaalsContact CE-OE1 3.25Å; K381-E383 WeakPolarHBondContact CE-OE1 3.39Å; K381-E383 VanDerWaalsContact CE-OE2 3.32Å; K381-E383 WeakPolarHBondContact CE-OE2 3.43Å; K381-E383 HydrophobicContact CG-CG 4.19Å; K381-E383 IonicContact NZ-OE1 3.06Å; K381-E383 PolarHBondContact NZ-OE1 2.95Å; K381-E383 IonicContact NZ-OE2 2.65Å; K381-E383 PolarHBondContact NZ-OE2 3.33Å; K381-E383 PolarHBondContact O-N 3.28Å; E383-K385 PolarHBondContact O-N 3.38Å
384L31.1Very low38.8Very low177 Ų177152.6 Ų152.693%0.92775%0.75SS**  trans-44.8129.2165.7-66.7163.6000109.5L382L382-L384 PolarHBondContact O-N 2.95Å
385K39.6Very low37.8Very low169 Ų169153.4 Ų153.474%0.73576%0.759SS**  trans-116.8137.9164.4-76.8-175.1169.9-75.80108.1E383E383-K385 PolarHBondContact O-N 3.38Å
386P36.6Very low37.4Very low113 Ų113153.6 Ų153.673%0.73477%0.767SS**  trans-63.7153.3177.928.9-35.3000110
387P38.6Very low37.6Very low117 Ų117154.6 Ų154.676%0.7677%0.767SS**  trans-61160.8171.329.2-35.3000110.7
388K44.7Very low38.2Very low202 Ų202150.9 Ų150.988%0.87876%0.763SS**  trans-126.9134.8159.2-80.9-161.9163-144.70107.9
389D38.1Very low38.9Very low150 Ų150150.2 Ų150.280%0.80276%0.76SS**  trans-73147.5180-41.1-90.2000110.6
390D46.9Very low39.3Very low171 Ų171152.3 Ų152.391%0.91476%0.761SS**  trans-151.1146.7151.6-94.8-44.7000108.1
391E43.5Very low39.7Very low160 Ų160153.8 Ų153.875%0.74877%0.765SS**  trans-63.2143.6-156.3-45.6170.4128.900117
392K44.4Very low40.1Very low167 Ų167152.2 Ų152.273%0.72677%0.768SS**  -179.9128.1102.3-97.7149.7-170.4160.60116.6
393N40.5Very low40.3Very low143 Ų143151.8 Ų151.877%0.76578%0.776SS**  trans46.2103.3138.8-53.2-8.4000117.6
394K41Very low40.7Very low184 Ų184149.4 Ų149.480%0.879%0.785SS**  -172.6148.666.3-88.3180171.4-177.80111.9
395I41.9Very low41.1Very low138 Ų138146.9 Ų146.971%0.70878%0.783SS**  trans45.1115.9135.7-51.5167000115.7
396D40.7Very low41.2Very low153 Ų153142.4 Ų142.482%0.81878%0.777SS**  -152.2174.556.2-135.4-35.1000115.1
397E39Very low41.5Very low161 Ų161145 Ų14575%0.75278%0.779SS**  trans-87.6145.1-173.2-61.1-167.2100.800116
398S44.1Very low41.7Very low98 Ų98146.5 Ų146.569%0.68578%0.781SS**  159.9122.899.255.20000118.6
399K42.3Very low41.7Very low182 Ų182142 Ų14279%0.79178%0.775SS**  trans69.7134.5133.9-61.5168.3-174.1166.50123.8
400L41.4Very low41.7Very low158 Ų158144 Ų14483%0.82778%0.78SS**  trans102.3124161.1-56.2171.8000116.1
401K41.5Very low41.5Very low185 Ų185139.7 Ų139.780%0.80477%0.768SS**  cis98.9143.235.3-83.2-161.6174.1-173.80113.1
402T40.1Very low41.2Very low116 Ų116138.3 Ų138.371%0.71277%0.77SS**  cis-178.2161.9-12.522.70000108
403S38.3Very low41Very low116 Ų116139 Ų13981%0.81177%0.774SS**  cis176.8131.6-29.752.20000111.9
404G40.8Very low41Very low77 Ų77136.9 Ų136.979%0.79477%0.77SS**  trans172.8146.5173.200000111.5
405S39.2Very low41Very low125 Ų125136.5 Ų136.587%0.87477%0.771SS**  cis84.9138.934.5-142.80000113.9
406A41.9Very low41Very low75 Ų75135.6 Ų135.662%0.6278%0.777SS**  cis-152.1146.49.900000110.6
407E41.8Very low41Very low166 Ų166132.3 Ų132.378%0.77677%0.772SS**  101.1159.388.8-82.5-179.2162.600117.2
408N44Very low41.1Very low149 Ų149131.2 Ų131.280%0.79777%0.771SS**  trans72.4155.4168.5-50.7-50.6000118.2
409S43.8Very low41Very low108 Ų108135.7 Ų135.776%0.75578%0.778SS**  cis176.5157.4-19.853.90000108.1
410E37.6Very low40.7Very low192 Ų192136.9 Ų136.990%0.89778%0.783SS**  cis-169.3-156.8-23.2-172.2133-111.700108.1
411A43.2Very low40.6Very low80 Ų80138.6 Ų138.666%0.66179%0.786SS**  trans68.4107.5169.600000118.6
412T37.6Very low40.4Very low131 Ų131139.4 Ų139.480%0.80479%0.79SS**  64140.98662.20000116
413F39.3Very low40.4Very low182 Ų182141.9 Ų141.980%0.79880%0.798SS**  cis-161.7157.918.3-156.3-112.4000111.9
414S42Very low40.3Very low99 Ų99146.1 Ų146.169%0.69280%0.802SS**  trans54.2160.8159580000121.2
415E40.5Very low40.1Very low175 Ų175152.4 Ų152.482%0.81881%0.807SS**  cis-170.7138.8-29.7172.5173.7-17500108.6
416S41.9Very low39.9Very low120 Ų120156.7 Ų156.784%0.83980%0.804SS**  trans160.2148.4142.4-79.80000113.8
417A40.4Very low39.6Very low84 Ų84161.1 Ų161.169%0.69481%0.809SS**  trans-84.1155.4-170.600000115.4
418N41.2Very low39.1Very low137 Ų137162.5 Ų162.573%0.73381%0.809SS**  -168.8149.2107.9-108.4-77.9000117
419K41.3Very low38.6Very low192 Ų192163.6 Ų163.684%0.83581%0.809SS**  trans33.6108.9155.6-70.9166.8-173176.80120.5
420K37.5Very low38.2Very low207 Ų207161.3 Ų161.390%0.979%0.792SS**  trans-68.2138.1165.7-61.2167.2-178.7169.70111.5
421H39.5Very low38.1Very low194 Ų194159.9 Ų159.990%0.89879%0.789SS**  trans-125.9140.6158.1-128.6-98000111.3
422K37.3Very low37.6Very low203 Ų203162.6 Ų162.688%0.88379%0.793SS**  trans-110.595.5-156.2-165.5175.7-173.5176.10111.8
423L39.4Very low37.7Very low167 Ų167162.9 Ų162.987%0.87479%0.794SS**  trans-109118.2177.9-95.1160.8000112.1
424K37.1Very low37.6Very low206 Ų206161.4 Ų161.490%0.89680%0.795SS**  trans-72.5124.6179.7-68.9178.1176.91770110.8
425K36.2Very low37.2Very low209 Ų209165.8 Ų165.891%0.90981%0.806SS**  trans-84.2139163.4-68.1178.8178.6175.90109.7
426R35.4Very low37Very low215 Ų215163.3 Ų163.381%0.81180%0.803SS**  trans-127.3134.5160.4-101.3-173.2164.7-177-5.9108.5
427K34.3Very low36.7Very low167 Ų167165 Ų16573%0.72680%0.803SS**  trans-73.5153.7168.8-72.2179.5170.2-172.70109.8
428Y31.5Very low36.7Very low196 Ų196166.4 Ų166.477%0.76981%0.808SS**  trans-144.2150.6144.5-77.7-73.7000108.3
429E34.3Very low36.6Very low171 Ų171168 Ų16880%0.79981%0.81SS**  trans-90.4169.6-176.2-77.3138142.900113.3
430C34.2Very low36.4Very low60 Ų60165.9 Ų165.941%0.40581%0.808SS.*  trans-108.8154.5173.9-66.40000110L382L382-C430 HydrophobicContact CD2-CB 4.09Å
431I35.8Very low36.3Very low162 Ų162160.6 Ų160.683%0.83180%0.797SS**  trans-123.3123.9172.5-63173.1000106.7
432D33.6Very low36.1Very low138 Ų138158.6 Ų158.674%0.73879%0.793SS**  trans-80.9145.1174-69.3-58.7000111.3
433V39.1Very low36Very low137 Ų137155.1 Ų155.183%0.8379%0.789SS**  trans-135.6114.1164.3-174.50000107.6
434N36.6Very low36Very low151 Ų151152.3 Ų152.381%0.80778%0.78SS**  trans-70156.6-178.1-80.2-45.4000112.6
435M33.2Very low36Very low191 Ų191150.2 Ų150.294%0.94177%0.774SS**  trans-111.9112.9178-174.9170.2177.100109.1
436T37.7Very low36.3Very low122 Ų122146.1 Ų146.175%0.74877%0.772SS**  trans-123.6123.3179.951.20000110.5
437D34.2Very low36.6Very low155 Ų155142.7 Ų142.783%0.82977%0.765SS**  trans-65.5148.9164.6-86.1-59.3000110.8
438S40.7Very low37.2Very low115 Ų115145.1 Ų145.180%0.80478%0.775SS**  trans-144.4145.2163.9610000110.4
439H39.8Very low37.6Very low169 Ų169144.5 Ų144.578%0.78278%0.776SS**  trans-97.1150.4-158.8-73.7-116000114.6
440L36.3Very low38.2Very low149 Ų149146.8 Ų146.878%0.7878%0.783SS**  trans21.6141.3142.7-70.9159.5000122.1
441S35.6Very low38.6Very low96 Ų96152.6 Ų152.667%0.67180%0.802SS**  trans71.3124.4148.870.90000117.4
442N36.2Very low39Very low152 Ų152155.2 Ų155.281%0.81381%0.808SS**  -15816850.6-86.8-60.7000114.9
443T34.7Very low39.6Very low130 Ų130158 Ų15880%0.79881%0.813SS**  trans-87.2173.7171.8370000112.1
444P38.8Very low39.6Very low108 Ų108155.9 Ų155.970%0.70180%0.804SS**  cis-148.3-171.72846-24.7000119.4
445E38.5Very low40.3Very low161 Ų161158.7 Ų158.775%0.75281%0.809SS**  trans58.4117.8154.1-77.3-175.6168.100123.2
446S40.8Very low40.7Very low124 Ų124156.2 Ų156.287%0.86780%0.8SS**  -158150.4116520000111.1
447H43.2Very low41.2Very low143 Ų143162.3 Ų162.366%0.66281%0.809SS**  trans-94.6151.4-172.4-55.5-65.5000114.4
448K45.7Very low41.5Very low217 Ų217159.7 Ų159.794%0.94380%0.803SS**  trans-153.6136.9134.4-108.7147-170.8171.90111.9
449K41.3Very low41.8Very low184 Ų184162 Ų16280%0.880%0.801SS**  trans-98.4147.7-169.4-64.4167.5179.1167.20111.5
450K45.1Very low42Very low218 Ų218161.8 Ų161.895%0.94880%0.804SS**  trans-142.4135.7146.2-120.5173.7-176.9176.80109.8
451K43Very low42.3Very low182 Ų182157.4 Ų157.479%0.79179%0.794SS**  trans-95153.4-171.6-63.4178.5177.6179.40111.3
452F44.9Very low42.9Very low218 Ų218160.1 Ų160.196%0.95680%0.802SS**  trans-121.2151.7142.7-109.4-95.4000108.7
453K47Very low43.3Very low196 Ų196159.4 Ų159.485%0.85280%0.798SS**  trans-96.7148-177.3-88.4-172.9171.6-1760111.5
454S38.1Very low43.9Very low92 Ų92158.6 Ų158.664%0.64380%0.795SS**  trans-76.3169164.855.30000112.1
455K50.9Low44.6Very low210 Ų210163 Ų16391%0.91380%0.803SS**  trans-151.2121148.5-130.9-179.1-177.1-174.90109.6
456D42.8Very low45.3Very low139 Ų139163.5 Ų163.574%0.74381%0.805SS**  trans-89.5161.3-170.4-50.9-91.5000112.7
457R46.6Very low45.6Very low251 Ų251164.7 Ų164.795%0.94780%0.8SS**  trans-152.5125.8147.1-117.7176.6-176.2-175.4-1111.4
458S41.5Very low46.4Very low100 Ų100163.2 Ų163.270%0.69980%0.801SS**  trans-88.6-178.4168.2590000109.3
459H46.9Very low46.4Very low163 Ų163162.5 Ų162.576%0.75580%0.798SS**  cis-164.3173.76.5-139.712.7000109.2
460I43.5Very low47Very low165 Ų165156.9 Ų156.985%0.84679%0.792SS**  trans68.1139.4163.4-56.5149.4000115.2
461G43.8Very low47.3Very low56 Ų56154.8 Ų154.858%0.57779%0.786SS**  cis-178165.6-6.200000111.2
462D47.3Very low47.6Very low154 Ų154152.4 Ų152.482%0.82478%0.782SS**  trans34136160.6-45.6-32.6000120.2
463N44.3Very low47.5Very low137 Ų137154.7 Ų154.773%0.73380%0.799SS**  cis-170.9141.648.8-147.8-50.5000110.8
464P48.2Very low47.5Very low113 Ų113152.7 Ų152.773%0.73480%0.796SS**  trans-107137177.136.4-28.8000113.8
465K53.6Low48Very low200 Ų200155.8 Ų155.887%0.8780%0.804SS**  trans-136.4141.2163.9-74.2-164.6175.8-176.90113.3
466H51.8Low47.8Very low171 Ų171152.8 Ų152.879%0.79280%0.798SS**  trans-61.6151.8-172.4-79.6-130.9000114.3V468H466-V468 HydrophobicContact CB-CG2 4.33Å
467I48.1Very low48.1Very low149 Ų149153.6 Ų153.676%0.76480%0.801SS**  trans-114.3120.2143.7-63.6173.9000106.6F469I467-F469 HydrophobicContact CG2-CD2 3.94Å; I467-F469 HydrophobicContact CG2-CE2 4.18Å
468V59.8Low48.2Very low113 Ų113147.6 Ų147.669%0.68579%0.792SS**  trans-133.1115.1168.9175.60000106.2H466H466-V468 HydrophobicContact CB-CG2 4.33Å
469F46.9Very low48.6Very low202 Ų202150.7 Ų150.789%0.88680%0.798SS**  trans-95.8107.5166.1-89.7-86.5000108I467I467-F469 HydrophobicContact CG2-CD2 3.94Å; I467-F469 HydrophobicContact CG2-CE2 4.18Å
470G54Low48.8Very low66 Ų66149.9 Ų149.968%0.6880%0.801SS**  trans-91.2171.916700000111.2
471Q51Low49.2Very low173 Ų173148.7 Ų148.781%0.80880%0.798SS**  trans-97156-168.5-83.9176.7-107.600114.6
472D47.8Very low49.6Very low132 Ų132156.4 Ų156.471%0.70682%0.816SS**  trans43.697.8139.3-47.3-29.8000119.1
473M42.9Very low49.8Very low267 Ų267156.6 Ų156.6100%1.31582%0.816SS**  -175.10124-95.1-68.9-177.300110.4

Retrieved 473 of 473 residues in 201.8 ms (Link to these results)