X5D7P3_HUMAN Loading...

Seizure 6-like protein 2

May contribute to specialized endoplasmic reticulum functions in neurons.

AlphaFold DB , UniProt , Accession X5D7P3, Species HUMAN (Homo sapiens, Human), Gene SEZ6L2, Length 856 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M35.8Very low37.7Very low251 Ų251146.8 Ų146.8100%1.23683%0.831SS**  0150.10-68.1171.6171.800107.8
2G34.8Very low37.6Very low81 Ų81145.1 Ų145.184%0.83583%0.83SS**  trans87.4106.7172.100000115.7
3T32.1Very low37.2Very low134 Ų134147.7 Ų147.782%0.82283%0.83SS**  trans-145.8168.7178.245.30000107.8
4P55.8Low36.9Very low102 Ų102146.6 Ų146.666%0.66282%0.821SS**  cis-141.3-172-35.140.1-22.7000113.8
5R34.1Very low36.4Very low242 Ų242146.7 Ų146.791%0.91382%0.818SS**  trans66.2166.1155.6-74.3178.7170170.4-4.3118.7
6A32.2Very low35.9Very low79 Ų79147.5 Ų147.565%0.65381%0.81SS**  cis-175.4173.2-35.300000111.6
7Q29.3Very low35.5Very low193 Ų193147.6 Ų147.690%0.90281%0.808SS**  trans86.1149.3158.4-64.5174.1-33.600121.6
8H27.7Very low35.1Very low185 Ų185146.5 Ų146.586%0.85680%0.8SS**  trans-84.9-175.4168.4-53-91.9000110.9
9P46.5Very low34.7Very low118 Ų118146.4 Ų146.477%0.76680%0.798SS**  cis-119.7-129.7-11.536.8-14.6000109
10P39.3Very low34.4Very low108 Ų108146.8 Ų146.870%0.70180%0.798SS**  cis-125.8178.7-31.837.9-20.3000114.7
11P47.4Very low34.2Very low122 Ų122144.3 Ų144.379%0.79279%0.792SS**  trans-94.9156176.137.2-35000114.9
12P36.4Very low33.7Very low126 Ų126138.4 Ų138.482%0.81877%0.774SS**  trans-105.8165.2171.438.7-32.5000114.5
13Q32.7Very low33.9Very low179 Ų179140.3 Ų140.384%0.83677%0.772SS**  trans-125176.5170-73.6-170-13.100111.4
14L31.8Very low33.8Very low133 Ų133145.3 Ų145.370%0.69678%0.775SS**  trans93.7149.2143.2-87.3154.3000121.6
15L30Very low32.6Very low148 Ų148146.3 Ų146.378%0.77577%0.774SS**  trans77.5136.9165.1-62.5130.2000118.4
16F28.5Very low32.5Very low159 Ų159144 Ų14470%0.69777%0.773SS**  cis-169.4-176.2-21.2-144.8-104.7000110.4
17L28.5Very low32.2Very low149 Ų149143.8 Ų143.878%0.7878%0.779SS**  trans87.2151.8166-52.4172.6000118.9
18I29.6Very low32.2Very low128 Ų128142.8 Ų142.866%0.65678%0.779SS**  cis-168.7154.1-43.7-125.3177000110.9
19L27.2Very low33.1Very low144 Ų144139.2 Ų139.275%0.75477%0.772SS**  trans72133.1177.9-62.4162.3000116.4
20L28.3Very low32.2Very low155 Ų155141.6 Ų141.681%0.81278%0.777SS**  68.313562.6-64.2-172.9000113.9
21S29.3Very low31.7Very low95 Ų95144 Ų14466%0.66478%0.777SS**  cis-170.9153.7-0.549.50000113.1
22C26.2Very low31Very low126 Ų126144.4 Ų144.485%0.85177%0.768SS**  trans52.5139.5156.1-63.80000122.6
23P39.5Very low30.6Very low122 Ų122146.1 Ų146.179%0.79277%0.765SS**  trans-139.4123.3154.435.7-19.1000114.9
24W28.4Very low30.2Very low239 Ų239146.7 Ų146.791%0.90577%0.768SS**  trans-146.8122.7167.1-110.767.5000112.9
25I32Very low29.9Very low122 Ų122147.3 Ų147.363%0.62677%0.77SS**  trans82.4147.1148.9-75.1-167.6000123.3
26Q30.9Very low29.9Very low193 Ų193147.3 Ų147.390%0.90277%0.77SS**  trans80.1131.3169.9-82.8156.43400118.7
27G27.3Very low30.3Very low75 Ų75145.5 Ų145.577%0.77378%0.775SS**  cis-170.8177.2-0.500000116.7
28L29.1Very low30.3Very low173 Ų173146.5 Ų146.591%0.90678%0.775SS**  trans-81.8-175.4176.2-79.9160.6000112.3
29P47.2Very low31.3Very low110 Ų110145.9 Ų145.971%0.71478%0.78SS**  cis-134.5-173-0.842.6-25.9000115.4
30L26Very low31.3Very low167 Ų167142.4 Ų142.487%0.87478%0.779SS**  trans-160.8173.5137.8-113.1172.4000113.2
31K29Very low31.1Very low158 Ų158141.2 Ų141.269%0.68778%0.783SS**  trans-146.6170.8-170.5-87.9169.2145.4-94.70109.1
32E32.4Very low31Very low131 Ų131145 Ų14561%0.61279%0.79SS**  cis-129.4-146.46.1-14970.2-89.500107.3
33E28.4Very low30.8Very low162 Ų162145.4 Ų145.476%0.75779%0.789SS**  cis-160.4157.32.7-150.5157-106.400110.3
34E25.4Very low30.5Very low191 Ų191145 Ų14589%0.89379%0.787SS**  trans-145.2147177.3-176.1174-132.800110.9
35I25.6Very low30.4Very low146 Ų146139.8 Ų139.875%0.74978%0.781SS**  trans-141.4131.7-171.9-59-179.8000112.7
36L29.8Very low30.1Very low148 Ų148140.9 Ų140.978%0.77579%0.794SS**  trans-104.6159.3172-153.485.9000111.2
37P36.6Very low30Very low122 Ų122136.1 Ų136.179%0.79279%0.787SS**  -152.9167.3116.538.5-21.5000117.7
38E27.5Very low30Very low169 Ų169138.1 Ų138.179%0.7979%0.789SS**  trans-117.3-168.4169.3-79.4-156.2141.800110.7
39P52.2Low29.9Very low115 Ų115139 Ų13975%0.74779%0.789SS**  -133.8172.9-58.537.8-22.5000115.1
40G26.5Very low29Very low71 Ų71138.4 Ų138.473%0.73279%0.793SS**  trans101.3134.4138.200000121.7
41S23.8Very low29Very low130 Ų130138.8 Ų138.891%0.90980%0.795SS**  trans171.5170.6140.441.10000113.2
42E26.4Very low28.8Very low174 Ų174136.2 Ų136.281%0.81380%0.803SS**  trans-109.8130.7-145.7-58.5165.2120.400117.8
43T22Very low28.6Very low135 Ų135138.5 Ų138.583%0.82881%0.814SS**  trans62.4174.1142.270.60000120.2
44P35.2Very low28.6Very low115 Ų115138.8 Ų138.875%0.74782%0.82SS**  cis-125.2178.4-1240.6-24.7000115.6
45T25.8Very low28.7Very low128 Ų128137.5 Ų137.579%0.78582%0.818SS**  trans-34.2151.4173.655.10000120.7
46V24.3Very low28.7Very low145 Ų145140.2 Ų140.288%0.87983%0.827SS**  -170.1153.1114.7140.20000109.6
47A28.8Very low28.7Very low93 Ų93137 Ų13777%0.76983%0.83SS**  trans-95.6159.9-177.800000113.7
48S28.4Very low28.3Very low117 Ų117135.8 Ų135.882%0.81883%0.83SS**  trans-153.8113.7164.661.20000112.5
49E27.5Very low28.2Very low192 Ų192135.5 Ų135.590%0.89783%0.833SS**  trans-73.6179.4156-65173.6102.400110.6
50A27.7Very low27.1Very low98 Ų98137.2 Ų137.281%0.8184%0.836SS**  trans6984.5168.300000117.7
51L25.4Very low27.1Very low175 Ų175145.1 Ų145.192%0.91684%0.843SS**  trans-151.373.2150.7-130.3163000112
52A26Very low27.3Very low103 Ų103151.1 Ų151.185%0.85185%0.846SS**  trans-138.830.1-176.400000114.6
53E28.5Very low27.2Very low180 Ų180146.1 Ų146.184%0.84184%0.841SS**  trans-137.8114.2159.5-87.6-155.9173.600110.7
54L26.7Very low28.8Very low168 Ų168145.7 Ų145.788%0.8884%0.84SS**  trans-179.7154.7137-102.4164.6000111.5
55L28.3Very low28.6Very low164 Ų164148.7 Ų148.786%0.85985%0.845SS**  trans66.689.9169.3-59.9174.5000118.4
56H26.3Very low28.5Very low202 Ų202151.2 Ų151.294%0.93585%0.85SS**  trans-95.8150.7141.4-96.276000110.1
57G28.8Very low28.6Very low81 Ų81147.4 Ų147.484%0.83584%0.839SS**  trans111.785.2142.300000120
58A28.7Very low28.5Very low96 Ų96154.2 Ų154.279%0.79385%0.847SS**  trans-166.5142.5146.700000109.5
59L25.7Very low28.5Very low164 Ų164156.3 Ų156.386%0.85985%0.848SS**  cis-153.5172.6-9.3-122.6174000110.2
60L27.7Very low29.8Very low151 Ų151153.2 Ų153.279%0.79185%0.845SS**  trans-87.5169.1-169.2-65.1151.5000115.2
61R27Very low29.7Very low237 Ų237151.9 Ų151.989%0.89484%0.841SS**  trans82.2120.3155.9-60.3173.2173.7175.6-3.3119.5
62R27.6Very low29.8Very low255 Ų255149.2 Ų149.296%0.96284%0.837SS**  -157.2160.7101.1-110.9175.8179.3168.10.2112.5
63G25.4Very low30.3Very low69 Ų69151.8 Ų151.871%0.71184%0.836SS**  trans-112.1-144.4179.500000112.8
64P55.4Low30.9Very low126 Ų126149.2 Ų149.282%0.81884%0.835SS**  -126.1-174.3-123.939-23.5000116.7
65E29.6Very low31.2Very low179 Ų179148.1 Ų148.184%0.83683%0.83SS**  trans87.1154.9160.5-64.5-156.3133.700122.1
66M25.4Very low32.1Very low181 Ų181144.6 Ų144.689%0.89282%0.817SS**  trans63.4131178.7-62.1-168.3-73.200117.3
67G26.8Very low32.2Very low64 Ų64140.3 Ų140.366%0.6681%0.805SS**  cis106.1117.1-6.800000115
68Y25.6Very low32.1Very low236 Ų236144.2 Ų144.293%0.92581%0.806SS**  trans-152.4157.1162.5-121.6-83.6000113
69L29.2Very low31.9Very low161 Ų161144.2 Ų144.284%0.84381%0.806SS**  trans-99.8176.5-157.5-80.1168.8000115.5
70P54Low32Very low128 Ų128142.8 Ų142.883%0.83180%0.804SS**  trans-111.7-173.2-161.343.9-37.2000115.7
71G25.9Very low33.3Very low70 Ų70140.8 Ų140.872%0.72280%0.8SS**  trans-178.7162.3161.300000110.6
72S28Very low33.8Very low119 Ų119135.8 Ų135.883%0.83280%0.799SS**  cis-172.8140.7-10500000109.6
73D35.5Very low33.9Very low157 Ų157128.7 Ų128.784%0.8479%0.794SS**  trans-65.9164.7171.1-67.1-58.3000112.8
74P41Very low34.2Very low126 Ų126128.7 Ų128.782%0.81879%0.794SS**  -141.2143.6103.238-25.4000116.9
75D33.1Very low33Very low145 Ų145131.2 Ų131.278%0.77580%0.795SS**  trans-70.7-175.7159.5-152.333.4000109.6
76P47.9Very low33Very low89 Ų89127.7 Ų127.758%0.57879%0.786SS**  cis-151.8-172.99.147.2-26000119.9
77T26.9Very low33.1Very low112 Ų112127 Ų12769%0.68779%0.785SS**  trans81.8135.2145.6520000125.2
78L27.7Very low33.2Very low163 Ų163128.2 Ų128.285%0.85379%0.789SS**  trans58.8129.7145.4-87.866.4000119.2
79A25.5Very low33.5Very low96 Ų96123.4 Ų123.479%0.79378%0.784SS**  -169.8170.158.900000114.5
80T25.9Very low34.1Very low134 Ų134121 Ų12182%0.82278%0.777SS**  trans-135.3174166.454.20000109.1
81P56.3Low33Very low110 Ų110120 Ų12071%0.71477%0.774SS**  cis-115.5-154.1-42.137.5-22.4000109.7
82P36.6Very low33.4Very low132 Ų132124.1 Ų124.186%0.85778%0.779SS**  -136.1167.9114.138.7-30.4000114
83A30.6Very low34.1Very low105 Ų105124.8 Ų124.887%0.86878%0.78SS**  trans-145.8162.7-175.400000113.8
84G30.3Very low33.9Very low69 Ų69128.2 Ų128.271%0.71178%0.781SS**  trans131.7145.1174.400000112.3
85Q30.5Very low33.4Very low180 Ų180126.1 Ų126.184%0.84178%0.775SS**  cis-155.91565.5-67.9-168.15.300108.5
86T29.6Very low33.2Very low105 Ų105124.5 Ų124.564%0.64477%0.77SS**  cis-171.9157.1-5.923.30000109.9
87L28.9Very low32.5Very low166 Ų166128.6 Ų128.687%0.86978%0.782SS**  trans69.7148.1152.1-69.4162.2000118.1
88A27.3Very low33.4Very low89 Ų89129 Ų12974%0.73679%0.786SS**  cis-151.3179.6-2.700000112.3
89V31.8Very low33.5Very low135 Ų135124.1 Ų124.182%0.81878%0.776SS**  trans-137.2135.9-177.8165.10000107
90P43.4Very low33.8Very low110 Ų110126.9 Ų126.971%0.71478%0.783SS**  -160153.194.243-22.2000120.6
91S30.1Very low33.9Very low109 Ų109123.7 Ų123.776%0.76278%0.777SS**  trans57144.113767.20000125.9
92L33.5Very low33.7Very low156 Ų156124.1 Ų124.182%0.81778%0.779SS**  trans-34.4162.5157.8-110.975.6000117.7
93P42.8Very low33.3Very low133 Ų133125.2 Ų125.286%0.86478%0.777SS**  -150.6-16266.243-21.9000118.2
94R31.3Very low33.2Very low228 Ų228125.8 Ų125.886%0.8677%0.77SS**  trans-134.2146.5-165.5157.9-170176-179.70.8111.5
95A31.9Very low33Very low83 Ų83128.9 Ų128.969%0.68678%0.775SS**  trans-163.1122.9165.300000109.4
96T28.7Very low32.9Very low111 Ų111124.8 Ų124.868%0.68177%0.772SS**  64.613567.462.70000113.3
97E32.8Very low32.6Very low174 Ų174125.8 Ų125.881%0.81378%0.778SS**  cis178.6-165.86.5-115.4-177.1-156.200106.1
98P46.7Very low32.7Very low120 Ų120124 Ų12478%0.77977%0.774SS**  cis-119.7-158.1-9.842.7-26.9000110.8
99G30Very low33.7Very low62 Ų62124.4 Ų124.464%0.63977%0.769SS**  cis146.4159.4-15.800000115
100T30.6Very low33.8Very low154 Ų154125.7 Ų125.795%0.94577%0.772SS**  trans75.4147.31736.80000120.7
101G27.9Very low33.4Very low67 Ų67123.8 Ų123.869%0.69177%0.772SS**  trans-109-145.4171.500000112.5
102P51.8Low33.5Very low119 Ų119125 Ų12577%0.77378%0.775SS**  cis-146.3-171.84.245.4-25.8000117.8
103L29.9Very low33.6Very low154 Ų154129.5 Ų129.581%0.80678%0.781SS**  trans75.7146.1147.7-79.7164.5000125.9
104T27.5Very low32.9Very low118 Ų118126.8 Ų126.872%0.72478%0.777SS**  trans83.4105.9145.636.80000126.6
105T26.5Very low32.8Very low133 Ų133121.1 Ų121.182%0.81678%0.779SS**  52.2121.1125.258.80000125.9
106A27.4Very low32.8Very low95 Ų95120.6 Ų120.679%0.78578%0.782SS**  trans171.5139.3132.100000108.9
107V24.7Very low33.6Very low126 Ų126121.7 Ų121.776%0.76479%0.791SS**  cis90.679.528.2-174.20000115.1
108T30.8Very low33.6Very low128 Ų128120.1 Ų120.179%0.78579%0.793SS**  trans51.8174.4133.6560000120.1
109P47.8Very low33.2Very low98 Ų98118.7 Ų118.764%0.63679%0.791SS**  cis-146.4174.812.846.5-27.4000120.7
110N34.2Very low33.7Very low162 Ų162121.9 Ų121.987%0.86680%0.801SS**  trans64.9147.6154.5-58.9-27000119.5
111G34.5Very low33.7Very low70 Ų70123.3 Ų123.372%0.72280%0.797SS**  cis-173.2177.9-3.400000109
112V32Very low34.3Very low135 Ų135128.1 Ų128.182%0.81881%0.806SS**  cis-159.5130.628.5163.10000112.3
113R34.9Very low33.2Very low249 Ų249130.4 Ų130.494%0.9481%0.811SS**  trans46.5135.5149.8-64.5176.5176.2-166.9-2.8123.7
114G28.6Very low33.3Very low77 Ų77128.5 Ų128.579%0.79481%0.806SS**  trans-161.927168.200000118.3
115A29.9Very low33.7Very low109 Ų109128.6 Ų128.690%0.90181%0.809SS**  trans54.5126.7164.800000122.1
116G31.4Very low34.4Very low72 Ų72127.9 Ų127.974%0.74281%0.806SS**  trans-110.7-154.6164.700000112.3
117P45.8Very low35.4Very low133 Ų133129.3 Ų129.386%0.86481%0.807SS**  cis-135.7-155.139.841.9-23.2000115.4
118T33.7Very low35.8Very low141 Ų141126.7 Ų126.787%0.86581%0.806SS**  trans-118.8174.6-152.6480000116.5
119A36.5Very low35.9Very low90 Ų90127 Ų12774%0.74481%0.808SS**  trans-77176.1-179.600000115.7
120P41.8Very low35.2Very low130 Ų130128.5 Ų128.584%0.84482%0.815SS**  trans-121.1-178.1156.140.2-28.8000113.9
121E30Very low35.2Very low184 Ų184125.2 Ų125.286%0.8681%0.811SS**  trans-90.9167.1-165.8-71166.579.300117.3
122L40.2Very low35.6Very low168 Ų168127.7 Ų127.788%0.8881%0.814SS**  trans3.5121.4143.1-143.480.8000118.1
123L28.7Very low36.2Very low166 Ų166126.7 Ų126.787%0.86981%0.81SS**  trans-160.8163153.9-111.6170.9000113.1
124T32Very low36.7Very low115 Ų115120.5 Ų120.571%0.70680%0.803SS**  trans-67.7150-169.150.20000117
125P35.5Very low37.6Very low120 Ų120122.9 Ų122.978%0.77980%0.804SS**  trans-90.6143.5166.535.8-32.8000113.8
126P42.6Very low38.1Very low118 Ų118123.1 Ų123.177%0.76680%0.799SS**  trans-107.7-173.2165.543.5-34.9000111.1
127P46.8Very low38.7Very low124 Ų124126.1 Ų126.181%0.80581%0.805SS**  -109.2180-95.531.9-13.5000114.5
128G33.6Very low38.2Very low72 Ų72124.4 Ų124.474%0.74280%0.802SS**  trans-68.2-177.2175.600000114.5
129T33.4Very low38.4Very low133 Ų133123.5 Ų123.582%0.81680%0.802SS**  cis-137.1179.624.858.60000111.3
130T32.2Very low38.6Very low130 Ų130125.2 Ų125.280%0.79881%0.806SS**  cis-164.7161.528.1-27.30000112.1
131A34.5Very low38.4Very low94 Ų94122.1 Ų122.178%0.77780%0.797SS**  trans89.6136.8163.700000118.6
132P44Very low39.1Very low122 Ų122119.4 Ų119.479%0.79280%0.795SS**  trans-105.9156-17140.1-35.5000116.1
133P45Very low39.1Very low113 Ų113117.4 Ų117.473%0.73479%0.792SS**PPolyproline II helixtrans-87.3165.1163.536.8-34.4000113
134P44.8Very low39.4Very low120 Ų120118 Ų11878%0.77980%0.795SS**PPolyproline II helixtrans-80.9155178.733.4-36000113.7
135P47.3Very low39.6Very low127 Ų127116 Ų11683%0.82580%0.798SS**PPolyproline II helixtrans-88.6150.2177.835.3-34.7000113.8
136S41.2Very low39.9Very low114 Ų114116.5 Ų116.580%0.79780%0.801SS**PPolyproline II helixtrans-79154170.1-49.20000112.2
137P43.2Very low39.5Very low134 Ų134120.5 Ų120.587%0.8781%0.809SS**PPolyproline II helixtrans-74.5155.1178.431.4-35.7000112.9
138A35.4Very low38.8Very low97 Ų97118.4 Ų118.480%0.80281%0.811SS**  trans-122.1142.417600000111.3
139S38.7Very low38.7Very low123 Ų123118.5 Ų118.586%0.8681%0.811SS**PPolyproline II helixtrans-76.9135.2-175.6-49.10000113.1
140P39.3Very low38.8Very low126 Ų126122.2 Ų122.282%0.81882%0.82SS**PPolyproline II helixtrans-87.8137.1171.933.2-32.1000112.5
141G38.8Very low38.9Very low64 Ų64124.5 Ų124.566%0.6682%0.821SS**PPolyproline II helixtrans-87.7173.2162.500000112.4
142P44.4Very low39.1Very low127 Ų127129.4 Ų129.483%0.82583%0.828SS**PPolyproline II helixtrans-77.9143.1-171.431.2-35.6000113.5
143P39.1Very low38.4Very low126 Ų126129.1 Ų129.182%0.81882%0.824SS**PPolyproline II helixtrans-83.4132.7171.432.4-32.1000112
144L35Very low37.9Very low178 Ų178130.2 Ų130.293%0.93283%0.829SS**PPolyproline II helixtrans-79.9147.6159.4-73.8161.2000109.3
145G37.2Very low37.3Very low73 Ų73130.4 Ų130.475%0.75383%0.828SS**PPolyproline II helixtrans-80.4162-179.600000114
146P40.8Very low36.7Very low131 Ų131129.4 Ų129.485%0.85182%0.82SS**PPolyproline II helixtrans-90.3140.8173.534.8-31.9000112.6
147E34.3Very low36.6Very low202 Ų202131.3 Ų131.394%0.94482%0.819SS**PPolyproline II helixtrans-79.1156.5161-75.2-179.788.300111.6
148G32.3Very low36.4Very low81 Ų81131 Ų13184%0.83581%0.809SS**  trans140.1124.417300000111.1
149G32.2Very low36.3Very low73 Ų73131.6 Ų131.675%0.75380%0.803SS**  cis175.6135-4.600000107.8E151G149-E151 PolarHBondContact O-N 3.17Å
150E35.5Very low36.1Very low212 Ų212131 Ų13199%0.99179%0.794SS**  trans-76.2121-170.9-63.7-178.7126.800112
151E34.8Very low35.8Very low177 Ų177130.3 Ų130.383%0.82779%0.788SS**  trans-135.6121.2162.3-168.7166.6-136.600108.9G149 T153G149-E151 PolarHBondContact O-N 3.17Å; E151-T153 PolarHBondContact O-N 2.96Å; E151-T153 VanDerWaalsContact O-N 3.17Å
152E37.1Very low35.6Very low198 Ų198132.7 Ų132.793%0.92579%0.79SS**  trans-71.7107.1-176.8-71.7-172.4106.600111.5
153T30Very low35.1Very low116 Ų116131.8 Ų131.871%0.71278%0.782SS**  trans-106.4114.1163.455.70000110.6E151 T155E151-T153 PolarHBondContact O-N 2.96Å; E151-T153 VanDerWaalsContact O-N 3.17Å; T153-T155 PolarHBondContact O-N 3.26Å
154T35.2Very low34.8Very low135 Ų135131.4 Ų131.483%0.82878%0.777SS**  trans-68.694.8-178.3-46.90000111.7T156T154-T156 PolarHBondContact O-N 2.91Å
155T32.2Very low34.5Very low124 Ų124128 Ų12876%0.76176%0.764SS**  trans-67.994.3176.3-51.50000111T153 I157T153-T155 PolarHBondContact O-N 3.26Å; T155-I157 PolarHBondContact O-N 3.2Å
156T34.8Very low34.3Very low106 Ų106130.2 Ų130.265%0.6576%0.763SS**  trans-56.3124.3166.542.10000109.8T154 I158T154-T156 PolarHBondContact O-N 2.91Å; T156-I158 VanDerWaalsContact C-N 3.28Å; T156-I158 PolarHBondContact O-N 2.83Å
157I38.8Very low33.8Very low154 Ų154129.7 Ų129.779%0.7976%0.757SS**  trans-70.187.1175.5-53.5175.7000108.7T155 T159T155-I157 PolarHBondContact O-N 3.2Å; I157-T159 HydrophobicContact CG2-CG2 4.06Å; I157-T159 PolarHBondContact O-N 2.86Å
158I38.7Very low33.9Very low128 Ų128126.1 Ų126.166%0.65675%0.749SS**  trans-77.599164.1-56.2179.7000106.2T156 T160T156-I158 VanDerWaalsContact C-N 3.28Å; T156-I158 PolarHBondContact O-N 2.83Å; I158-T160 HydrophobicContact CG2-CG2 3.87Å; I158-T160 PolarHBondContact O-N 3.4Å
159T32.7Very low34.2Very low109 Ų109126.5 Ų126.567%0.66974%0.739SS**  trans-67.783.316552.20000108.8I157 T161I157-T159 HydrophobicContact CG2-CG2 4.06Å; I157-T159 PolarHBondContact O-N 2.86Å; T159-T161 PolarHBondContact O-N 2.84Å
160T33.9Very low35Very low110 Ų110127.5 Ų127.568%0.67573%0.732SS**  trans-68.682.9160.950.60000107.5I158 T162I158-T160 HydrophobicContact CG2-CG2 3.87Å; I158-T160 PolarHBondContact O-N 3.4Å; T160-T162 PolarHBondContact O-N 2.81Å
161T34.4Very low35.8Very low112 Ų112119.7 Ų119.769%0.68770%0.699SS**  trans-60.992.8165.8-49.60000106.8T159 V163T159-T161 PolarHBondContact O-N 2.84Å; T161-V163 HydrophobicContact CG2-CG2 4.21Å; T161-V163 PolarHBondContact O-N 2.73Å
162T34.4Very low37.1Very low115 Ų115116.6 Ų116.671%0.70669%0.687SS**  trans-66.686.8168.747.70000106.7T160 T164T160-T162 PolarHBondContact O-N 2.81Å; T162-T164 PolarHBondContact O-N 2.79Å
163V34.2Very low38.8Very low108 Ų108109.2 Ų109.266%0.65566%0.657SS**  trans-6295164.3179.60000105.1T161 T165T161-V163 HydrophobicContact CG2-CG2 4.21Å; T161-V163 PolarHBondContact O-N 2.73Å; V163-T165 HydrophobicContact CG1-CG2 4.08Å; V163-T165 PolarHBondContact O-N 2.79Å
164T31.8Very low41.1Very low118 Ų118108.5 Ų108.572%0.72465%0.649SS**  trans-62.187161.133.30000106.3T162 T166T162-T164 PolarHBondContact O-N 2.79Å; T164-T166 VanDerWaalsContact C-N 3.3Å; T164-T166 PolarHBondContact O-N 2.84Å
165T29Very low43.2Very low107 Ų107105.4 Ų105.466%0.65663%0.627SS**  trans-58.3101.2167.446.30000106.3V163 V167V163-T165 HydrophobicContact CG1-CG2 4.08Å; V163-T165 PolarHBondContact O-N 2.79Å; T165-V167 PolarHBondContact O-N 2.84Å
166T34.3Very low45.7Very low118 Ų118104.1 Ų104.172%0.72462%0.616SS**  trans-67.877.8173.152.40000107.9T164 T168T164-T166 VanDerWaalsContact C-N 3.3Å; T164-T166 PolarHBondContact O-N 2.84Å; T166-T168 PolarHBondContact O-N 2.91Å
167V30.1Very low48.2Very low121 Ų121100 Ų10073%0.73359%0.59SS**  trans-67.788.7162-179.60000104.7T165 S169T165-V167 PolarHBondContact O-N 2.84Å; V167-S169 PolarHBondContact O-N 2.78Å
168T35.8Very low50.5Low127 Ų12796.6 Ų96.678%0.77958%0.579SS**  trans-65.384.8171.730.90000108.2T166T166-T168 PolarHBondContact O-N 2.91Å
169S38.2Very low52.8Low89 Ų8996.9 Ų96.962%0.62258%0.578SS**  trans-50.9131.1161.6520000107.8V167 V171V167-S169 PolarHBondContact O-N 2.78Å; S169-V171 PolarHBondContact O-N 2.92Å
170P48.3Very low55.2Low94 Ų9493.1 Ų93.161%0.6156%0.561SS**  trans-57129.6178.624.8-33.8000108.9L172P170-L172 PolarHBondContact O-N 3.16Å
171V54.2Low58Low48 Ų4893.2 Ų93.229%0.29155%0.554SS.*  trans-63.9103.3-176.5177.40000109.1S169 C173 E185 Y204S169-V171 PolarHBondContact O-N 2.92Å; V171-C173 PolarHBondContact O-N 3.22Å; V171-E185 HydrophobicContact CG1-CB 4.41Å; V171-E185 WeakPolarHBondContact CG1-O 3.07Å; V171-E185 HydrophobicContact CG2-CB 4.35Å; V171-Y204 HydrophobicContact CG1-CE1 4.5Å
172L62.1Low60.7Low111 Ų11188.5 Ų88.558%0.58153%0.527SS*.  trans-76.5117-175.3-77.5161.2000110.6P170 N175P170-L172 PolarHBondContact O-N 3.16Å; L172-N175 HydrophobicContact CB-CB 4.29Å; L172-N175 WeakPolarHBondContact O-CB 3.45Å
173C72.8Confident63.2Low43 Ų4388.3 Ų88.329%0.29151%0.514SS..THydrogen-bonded Turntrans-57.3140.3160.5-176.60000109.6V171 P187 D201 C202V171-C173 PolarHBondContact O-N 3.22Å; C173-P187 HydrophobicContact CB-CG 4.27Å; C173-D201 PolarHBondContact SG-O 3.1Å; C173-D201 VanDerWaalsContact SG-O 3.34Å; C173-C202 HydrophobicContact CB-CB 4.08Å; C173-C202 WeakPolarHBondContact CB-SG 3.43Å; C173-C202 WeakPolarHBondContact SG-CA 3.46Å; C173-C202 WeakPolarHBondContact SG-CB 3.22Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 3.43Å
174N77.3Confident65.8Low101 Ų10183.3 Ų83.354%0.5448%0.484SS..THydrogen-bonded Turntrans61.341.6-176.9-59.6-40.9000114.8T203N174-T203 WeakPolarHBondContact CA-O 3.47Å; N174-T203 PolarHBondContact OD1-N 3.43Å
175N80.2Confident68.3Low70 Ų7081 Ų8137%0.37447%0.465SS..  trans-83.9150174.5-163.518.1000113L172 I177 Y204 S205L172-N175 HydrophobicContact CB-CB 4.29Å; L172-N175 WeakPolarHBondContact O-CB 3.45Å; N175-I177 HydrophobicContact CB-CG1 4.5Å; N175-Y204 HydrophobicContact CB-CD1 4.47Å; N175-S205 PolarHBondContact O-N 3.42Å
176N84.8Confident70.7Confident98 Ų9877.3 Ų77.352%0.52444%0.444SS..EExtended strand (participates in β ladder)trans-114.9116.4173.2-17618.7000109.4S205N176-S205 CarbonylContact C-O 3.57Å; N176-S205 WeakPolarHBondContact CA-O 3.5Å; N176-S205 WeakPolarHBondContact CA-OG 3.45Å; N176-S205 WeakPolarHBondContact CB-OG 3.34Å; N176-S205 PolarHBondContact OD1-O 3.28Å; N176-S205 PolarHBondContact OD1-OG 3.41Å
177I87.3Confident72.6Confident19 Ų1972.5 Ų72.510%0.09742%0.415CS..EExtended strand (participates in β ladder)trans-112.9127.7-164.1-59.3173000108.3N175 V184 S205 I206 H207 Y283N175-I177 HydrophobicContact CB-CG1 4.5Å; I177-V184 HydrophobicContact CD1-CG2 3.84Å; I177-S205 PolarHBondContact N-O 2.77Å; I177-I206 HydrophobicContact CB-CG1 4.42Å; I177-I206 HydrophobicContact CD1-CG1 4.44Å; I177-I206 CarbonylContact O-C 3.55Å; I177-I206 WeakPolarHBondContact O-CA 3.3Å; I177-H207 PolarHBondContact O-N 2.73Å; I177-Y283 HydrophobicContact CG2-CE1 4.08Å; I177-Y283 HydrophobicContact CG2-CE2 4.32Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.43Å
178S86.8Confident74.1Confident82 Ų8272.4 Ų72.457%0.57341%0.41SS*.  trans-130.612-175.552.20000114.3H207S178-H207 WeakPolarHBondContact CA-O 3.34Å
179E86.7Confident75.1Confident135 Ų13569 Ų6963%0.63139%0.387SS*.  trans-76.3156.6173-63.1172.8153.100110.3
180G83.2Confident75.8Confident30 Ų3067 Ų6731%0.30938%0.381SS..SBendtrans-79-17.3-177.700000114.4A285G180-A285 WeakPolarHBondContact O-CB 3.12Å; G180-A285 PolarHBondContact O-N 2.81Å
181E92.1Very high75.9Confident111 Ų11164.7 Ų64.752%0.51937%0.367SS..EExtended strand (participates in β ladder)trans-153.9148.8178.8-169-169.116200108.6H282 Y283 Q284E181-H282 WeakPolarHBondContact CG-NE2 3.37Å; E181-H282 IonicContact OE1-CD2 3.87Å; E181-H282 IonicContact OE1-CE1 3.59Å; E181-H282 IonicContact OE1-NE2 2.72Å; E181-H282 PolarHBondContact OE1-NE2 2.86Å; E181-Y283 CarbonylContact C-O 3.33Å; E181-Y283 VanDerWaalsContact CA-O 3.3Å; E181-Y283 WeakPolarHBondContact CA-O 3.21Å; E181-Y283 WeakPolarHBondContact CG-O 3.45Å; E181-Y283 PolarHBondContact O-OH 3.37Å; E181-Q284 HydrophobicContact CG-CB 4.09Å
182G90.5Very high75.8Confident13 Ų1367.7 Ų67.713%0.13439%0.387CS..EExtended strand (participates in β ladder)trans172.5-155.6169.100000114H282 Y283G182-H282 WeakPolarHBondContact O-CA 3.38Å; G182-H282 PolarHBondContact O-CD2 3.25Å; G182-H282 VanDerWaalsContact O-CD2 3.27Å; G182-Y283 VanDerWaalsContact C-CD1 3.43Å; G182-Y283 PolarHBondContact N-O 2.8Å; G182-Y283 WeakPolarHBondContact O-CD1 3.25Å; G182-Y283 PolarHBondContact O-N 3.39Å
183Y88.5Confident75.3Confident111 Ų11167.7 Ų67.744%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-127.6137.1179.4-59.2-81.1000111.1Q219 I281 H282Y183-Q219 VanDerWaalsContact CE1-OE1 3.31Å; Y183-I281 CarbonylContact C-O 3.59Å; Y183-I281 WeakPolarHBondContact CA-O 3.28Å; Y183-H282 HydrophobicContact CD1-CB 3.95Å; Y183-H282 HydrophobicContact CE1-CB 3.69Å; Y183-H282 AromaticContact CE1-CD2 3.45Å; Y183-H282 VanDerWaalsContact CE1-CD2 3.45Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.47Å; Y183-H282 AromaticContact CE1-CG 3.88Å; Y183-H282 AromaticContact CZ-CD2 3.65Å
184V88.4Confident74.1Confident3 Ų367.4 Ų67.42%0.01839%0.39CS..EExtended strand (participates in β ladder)trans-107.2126.2163.2-170.50000108.2I177 Y204 I206 L266 F279 I281 Y283I177-V184 HydrophobicContact CD1-CG2 3.84Å; V184-Y204 HydrophobicContact CG1-CD1 3.47Å; V184-Y204 VanDerWaalsContact CG1-CD1 3.47Å; V184-Y204 HydrophobicContact CG1-CD2 3.99Å; V184-Y204 HydrophobicContact CG1-CE1 3.68Å; V184-Y204 HydrophobicContact CG1-CE2 4.22Å; V184-Y204 HydrophobicContact CG1-CG 3.62Å; V184-I206 HydrophobicContact CG2-CD1 3.85Å; V184-I206 HydrophobicContact CG2-CG1 4.45Å; V184-L266 HydrophobicContact CB-CD1 4.05Å; V184-L266 HydrophobicContact CG1-CD1 4.11Å; V184-L266 HydrophobicContact CG2-CD1 4.05Å; V184-F279 HydrophobicContact CG1-CE2 4.14Å; V184-I281 PolarHBondContact N-O 3.36Å; V184-I281 PolarHBondContact O-N 3.45Å; V184-Y283 HydrophobicContact CG2-CD1 4.02Å; V184-Y283 HydrophobicContact CG2-CE1 4.33Å
185E84.1Confident72.9Confident69 Ų6971.5 Ų71.532%0.32240%0.398SS..EExtended strand (participates in β ladder)trans-121.2150.9-178-60.4-175.9-139.500109.2V171 Y204 F279 R280V171-E185 HydrophobicContact CG1-CB 4.41Å; V171-E185 WeakPolarHBondContact CG1-O 3.07Å; V171-E185 HydrophobicContact CG2-CB 4.35Å; E185-Y204 PolarHBondContact O-OH 3.17Å; E185-F279 WeakPolarHBondContact CA-O 3.29Å; E185-R280 HydrophobicContact CG-CG 4.25Å; E185-R280 IonicContact OE1-CZ 3.13Å; E185-R280 IonicContact OE1-NH1 2.86Å; E185-R280 PolarHBondContact OE1-NH1 2.67Å; E185-R280 IonicContact OE1-NH2 2.73Å; E185-R280 PolarHBondContact OE1-NH2 2.87Å; E185-R280 IonicContact OE2-CZ 3.77Å; E185-R280 IonicContact OE2-NH1 2.8Å; E185-R280 PolarHBondContact OE2-NH1 3.16Å
186S78.4Confident71.5Confident30 Ų3074.1 Ų74.121%0.2142%0.417CS..PPolyproline II helixtrans-58.4143.3167.746.90000111.2D188 G278 F279S186-D188 PolarHBondContact O-N 3.22Å; S186-G278 VanDerWaalsContact OG-CA 3.25Å; S186-G278 WeakPolarHBondContact OG-CA 3.41Å; S186-F279 PolarHBondContact N-O 3.17Å; S186-F279 PolarHBondContact OG-N 3.39Å
187P74.6Confident70.1Confident18 Ų1875.6 Ų75.612%0.11742%0.424CS..PPolyproline II helixtrans-59.7132.7-175.4-23.434.7000113.2C173 L189 L200 Y204C173-P187 HydrophobicContact CB-CG 4.27Å; P187-L189 PolarHBondContact O-N 2.94Å; P187-L200 HydrophobicContact CG-CD2 4.36Å; P187-Y204 VanDerWaalsContact CD-OH 3.26Å; P187-Y204 WeakPolarHBondContact CD-OH 3.38Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å
188D62.9Low68.7Low118 Ų11877.6 Ų77.663%0.63145%0.449SS*.PPolyproline II helixtrans-74.8120.8-178.9-176.810.1000112.2S186 G190S186-D188 PolarHBondContact O-N 3.22Å; D188-G190 PolarHBondContact O-N 2.92Å; D188-G190 PolarHBondContact OD1-N 3.27Å
189L54.9Low67.6Low55 Ų5577.9 Ų77.929%0.28844%0.444SS..THydrogen-bonded Turntrans-81.11.7-170.2-64.6163.1000113.7P187 S191 V273 P274P187-L189 PolarHBondContact O-N 2.94Å; L189-S191 PolarHBondContact O-N 2.82Å; L189-V273 HydrophobicContact CD2-CG1 4.27Å; L189-P274 HydrophobicContact CD1-CB 3.78Å; L189-P274 HydrophobicContact CD1-CG 3.92Å; L189-P274 WeakPolarHBondContact CD1-O 3.45Å
190G53.2Low67.1Low49 Ų4972.8 Ų72.851%0.50542%0.421SS..THydrogen-bonded Turntrans-62.6-28.7168.900000113.9D188D188-G190 PolarHBondContact O-N 2.92Å; D188-G190 PolarHBondContact OD1-N 3.27Å
191S52Low67Low45 Ų4574.2 Ų74.232%0.31542%0.421SS..SBendtrans-62.4135.6-172.4-178.70000113.8L189 V193 S194L189-S191 PolarHBondContact O-N 2.82Å; S191-V193 PolarHBondContact O-N 2.79Å; S191-V193 VanDerWaalsContact O-N 3.16Å; S191-S194 PolarHBondContact O-N 3.05Å
192P50.7Low66.6Low111 Ų11169 Ų6972%0.72140%0.397SS*.G310 helixtrans-66.6-16.5-17927.7-35.6000114
193V51.8Low66.3Low111 Ų11170.3 Ų70.367%0.67340%0.402SS*.G310 helixtrans-75-29.1-177.8-174.70000112.3S191 R195S191-V193 PolarHBondContact O-N 2.79Å; S191-V193 VanDerWaalsContact O-N 3.16Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 2.87Å
194S48.4Very low66.3Low36 Ų3665.2 Ų65.225%0.25238%0.383SS..G310 helixtrans-84.910.1-167.6-159.80000115.3S191S191-S194 PolarHBondContact O-N 3.05Å
195R51.6Low66.4Low187 Ų18766.3 Ų66.371%0.70639%0.39SS*.G310 helixtrans-97.71.1-171.2-57.2-172.3-170.8-171.74.3114.9V193V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 2.87Å
196T51.2Low66.6Low126 Ų12663 Ų6377%0.77338%0.375SS*.SBendtrans-119.3-3.7-172.648.60000114.8
197L55.4Low67.1Low129 Ų12964 Ų6468%0.67538%0.376SS*.  trans-111.4126.9177.6-74.3163.1000109.4
198G56.8Low67.8Low61 Ų6163.4 Ų63.463%0.62937%0.372SS*.SBendtrans-81.6-11.7-175.700000114.8P271G198-P271 CarbonylContact O-C 3.59Å
199L65.1Low68.8Low88 Ų8865.3 Ų65.346%0.46137%0.371SS..SBendtrans-136.2135.8177.9-179.1147.8000108.1D201L199-D201 HydrophobicContact CD2-CB 4Å
200L75.2Confident70.1Confident27 Ų2766 Ų6614%0.14138%0.379CS..EExtended strand (participates in β ladder)trans-109121.1178.2-177.466.2000108.2P187 C202 F268 Q269 S270P187-L200 HydrophobicContact CG-CD2 4.36Å; L200-C202 VanDerWaalsContact CD1-SG 3.51Å; L200-F268 HydrophobicContact CD2-CE1 4.08Å; L200-Q269 WeakPolarHBondContact O-CA 3.39Å; L200-S270 PolarHBondContact N-O 3.19Å; L200-S270 PolarHBondContact O-N 3.05Å
201D81.3Confident71.2Confident61 Ų6163.7 Ų63.733%0.32636%0.355SS..EExtended strand (participates in β ladder)trans-128.6112.1177.2-170.4-53.1000107.8C173 L199 H267 Q269C173-D201 PolarHBondContact SG-O 3.1Å; C173-D201 VanDerWaalsContact SG-O 3.34Å; L199-D201 HydrophobicContact CD2-CB 4Å; D201-H267 IonicContact OD1-CE1 3.49Å; D201-H267 PolarHBondContact OD1-CE1 2.81Å; D201-H267 IonicContact OD1-ND1 2.75Å; D201-H267 IonicContact OD2-CE1 3.84Å; D201-H267 PolarHBondContact OD2-CE1 3.35Å; D201-H267 IonicContact OD2-NE2 2.72Å; D201-Q269 PolarHBondContact OD2-NE2 2.93Å
202C82.7Confident72.8Confident0 Ų066 Ų660%036%0.358CS..EExtended strand (participates in β ladder)trans-130.4114.9-173.3-61.50000110.9C173 L200 Y204 F268C173-C202 HydrophobicContact CB-CB 4.08Å; C173-C202 WeakPolarHBondContact CB-SG 3.43Å; C173-C202 WeakPolarHBondContact SG-CA 3.46Å; C173-C202 WeakPolarHBondContact SG-CB 3.22Å; C173-C202 CovalentContact SG-SG 2.04Å; C173-C202 PolarHBondContact SG-SG 3.43Å; L200-C202 VanDerWaalsContact CD1-SG 3.51Å; C202-Y204 HydrophobicContact CB-CE2 3.94Å; C202-F268 PolarHBondContact N-O 2.89Å; C202-F268 PolarHBondContact O-N 2.83Å
203T85.9Confident74.6Confident41 Ų4160.7 Ų60.725%0.25232%0.324SS..EExtended strand (participates in β ladder)trans-109.4103.2175.8-55.50000109.7N174 L265 L266 H267N174-T203 WeakPolarHBondContact CA-O 3.47Å; N174-T203 PolarHBondContact OD1-N 3.43Å; T203-L265 HydrophobicContact CG2-CB 4.46Å; T203-L265 HydrophobicContact CG2-CD2 4.08Å; T203-L266 CarbonylContact C-O 3.48Å; T203-L266 WeakPolarHBondContact CA-O 3.4Å; T203-H267 PolarHBondContact OG1-ND1 2.92Å
204Y88.8Confident76.5Confident5 Ų555.4 Ų55.42%0.0229%0.292CS..EExtended strand (participates in β ladder)trans-83.5128.5172.7-54.7-103.8000108.6V171 N175 V184 E185 P187 C202 L265 L266 F279V171-Y204 HydrophobicContact CG1-CE1 4.5Å; N175-Y204 HydrophobicContact CB-CD1 4.47Å; V184-Y204 HydrophobicContact CG1-CD1 3.47Å; V184-Y204 VanDerWaalsContact CG1-CD1 3.47Å; V184-Y204 HydrophobicContact CG1-CD2 3.99Å; V184-Y204 HydrophobicContact CG1-CE1 3.68Å; V184-Y204 HydrophobicContact CG1-CE2 4.22Å; V184-Y204 HydrophobicContact CG1-CG 3.62Å; E185-Y204 PolarHBondContact O-OH 3.17Å; P187-Y204 VanDerWaalsContact CD-OH 3.26Å; P187-Y204 WeakPolarHBondContact CD-OH 3.38Å; P187-Y204 WeakPolarHBondContact CG-OH 3.44Å; C202-Y204 HydrophobicContact CB-CE2 3.94Å; Y204-L265 CarbonylContact O-C 3.56Å; Y204-L265 VanDerWaalsContact O-CA 3.32Å; Y204-L265 WeakPolarHBondContact O-CA 3.42Å; Y204-L266 HydrophobicContact CD2-CB 4.49Å; Y204-L266 PolarHBondContact N-O 2.96Å; Y204-L266 PolarHBondContact O-N 3Å; Y204-F279 HydrophobicContact CE2-CZ 4.04Å
205S88.8Confident78.6Confident25 Ų2554.8 Ų54.818%0.17529%0.285CS..EExtended strand (participates in β ladder)trans-107.3122174.144.70000109.3N175 N176 I177N175-S205 PolarHBondContact O-N 3.42Å; N176-S205 CarbonylContact C-O 3.57Å; N176-S205 WeakPolarHBondContact CA-O 3.5Å; N176-S205 WeakPolarHBondContact CA-OG 3.45Å; N176-S205 WeakPolarHBondContact CB-OG 3.34Å; N176-S205 PolarHBondContact OD1-O 3.28Å; N176-S205 PolarHBondContact OD1-OG 3.41Å; I177-S205 PolarHBondContact N-O 2.77Å
206I90Very high80.6Confident0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-108.9124.4176.8-51175.4000107.2I177 V184 I214 R263 L264 L266 Y283I177-I206 HydrophobicContact CB-CG1 4.42Å; I177-I206 HydrophobicContact CD1-CG1 4.44Å; I177-I206 CarbonylContact O-C 3.55Å; I177-I206 WeakPolarHBondContact O-CA 3.3Å; V184-I206 HydrophobicContact CG2-CD1 3.85Å; V184-I206 HydrophobicContact CG2-CG1 4.45Å; I206-I214 HydrophobicContact CB-CD1 3.96Å; I206-I214 HydrophobicContact CG2-CD1 3.74Å; I206-I214 HydrophobicContact CG2-CG1 4.12Å; I206-I214 HydrophobicContact CG2-CG2 4.23Å; I206-I214 VanDerWaalsContact O-CD1 3.23Å; I206-I214 WeakPolarHBondContact O-CD1 2.97Å; I206-R263 WeakPolarHBondContact O-CA 3.46Å; I206-L264 HydrophobicContact CB-CB 4.48Å; I206-L264 PolarHBondContact N-O 2.84Å; I206-L264 PolarHBondContact O-N 2.82Å; I206-L266 HydrophobicContact CD1-CD1 4.12Å; I206-Y283 HydrophobicContact CD1-CD1 4.14Å; I206-Y283 HydrophobicContact CD1-CD2 4.36Å; I206-Y283 HydrophobicContact CD1-CG 3.96Å; I206-Y283 HydrophobicContact CG2-CD2 3.77Å; I206-Y283 HydrophobicContact CG2-CE2 3.82Å; I206-Y283 HydrophobicContact CG2-CG 4.41Å
207H88.8Confident82.6Confident51 Ų5143.8 Ų43.824%0.23623%0.232CC..EExtended strand (participates in β ladder)trans-135.497.2-171.8-71.12.8000110.2I177 S178I177-H207 PolarHBondContact O-N 2.73Å; S178-H207 WeakPolarHBondContact CA-O 3.34Å
208V88.7Confident84.3Confident6 Ų637.6 Ų37.64%0.03620%0.2CC..PPolyproline II helixtrans-90.3171.2179.8-610000111.7Y212 I214 N262 A285V208-Y212 WeakPolarHBondContact CG2-O 3.18Å; V208-I214 HydrophobicContact CB-CG1 4.34Å; V208-I214 HydrophobicContact CG1-CD1 4.27Å; V208-I214 HydrophobicContact CG1-CG1 3.7Å; V208-I214 HydrophobicContact CG2-CD1 4.2Å; V208-I214 HydrophobicContact CG2-CG1 3.72Å; V208-N262 HydrophobicContact CG2-CB 4.03Å; V208-N262 PolarHBondContact N-O 3.17Å; V208-N262 VanDerWaalsContact N-O 3.08Å; V208-N262 PolarHBondContact O-ND2 3.02Å; V208-A285 HydrophobicContact CB-CB 4.35Å; V208-A285 HydrophobicContact CG1-CB 4.11Å
209Y84.6Confident85.8Confident157 Ų15738.1 Ų38.162%0.61619%0.186SC*.PPolyproline II helixtrans-53.4142.9177.6-54-73.7000112G211 Y212Y209-G211 PolarHBondContact O-N 2.8Å; Y209-Y212 PolarHBondContact O-N 2.82Å; Y209-Y212 VanDerWaalsContact O-N 3.13Å
210P80.7Confident86.8Confident69 Ų6937 Ų3745%0.44818%0.183SC..THydrogen-bonded Turntrans-52.2140.3172.5-27.236.5000111.6Y212 N332P210-Y212 VanDerWaalsContact C-N 3.29Å; P210-N332 WeakPolarHBondContact CA-OD1 3.2Å; P210-N332 WeakPolarHBondContact CB-OD1 3.36Å; P210-N332 PolarHBondContact O-ND2 3.44Å; P210-N332 VanDerWaalsContact O-ND2 3.08Å; P210-N332 PolarHBondContact O-OD1 2.89Å; P210-N332 VanDerWaalsContact O-OD1 3.12Å
211G77Confident87.3Confident1 Ų137.2 Ų37.21%0.0118%0.184CC..THydrogen-bonded Turntrans87.7-7.5-176.100000114.2Y209 L288 N332 G333Y209-G211 PolarHBondContact O-N 2.8Å; G211-L288 WeakPolarHBondContact O-CB 3.42Å; G211-L288 PolarHBondContact O-N 2.88Å; G211-N332 WeakPolarHBondContact CA-OD1 3.12Å; G211-N332 PolarHBondContact N-OD1 2.78Å; G211-G333 PolarHBondContact N-O 2.89Å; G211-G333 VanDerWaalsContact N-O 3.16Å
212Y86.2Confident87.4Confident94 Ų9439 Ų3937%0.36919%0.194SC..EExtended strand (participates in β ladder)trans-108.8146.4169.7-65.8-99.8000110.6V208 Y209 P210 N262 A285 Y286 L287 L288V208-Y212 WeakPolarHBondContact CG2-O 3.18Å; Y209-Y212 PolarHBondContact O-N 2.82Å; Y209-Y212 VanDerWaalsContact O-N 3.13Å; P210-Y212 VanDerWaalsContact C-N 3.29Å; Y212-N262 WeakPolarHBondContact O-CA 3.42Å; Y212-N262 WeakPolarHBondContact O-CB 3.49Å; Y212-A285 HydrophobicContact CD1-CB 4.16Å; Y212-A285 HydrophobicContact CG-CB 4.47Å; Y212-Y286 CarbonylContact C-O 3.46Å; Y212-Y286 VanDerWaalsContact CA-O 3.23Å; Y212-Y286 WeakPolarHBondContact CA-O 3.48Å; Y212-Y286 WeakPolarHBondContact CB-O 3.42Å; Y212-L287 HydrophobicContact CD1-CB 4.49Å; Y212-L287 HydrophobicContact CD1-CD1 4.08Å; Y212-L287 HydrophobicContact CD2-CD1 4.4Å; Y212-L287 HydrophobicContact CE1-CB 4.38Å; Y212-L287 HydrophobicContact CE1-CD1 3.69Å; Y212-L287 HydrophobicContact CE2-CD1 4.03Å; Y212-L287 HydrophobicContact CG-CD1 4.42Å; Y212-L288 WeakPolarHBondContact O-CD1 3.19Å
213G87.8Confident87.3Confident0 Ų041 Ų410%020%0.204CC..EExtended strand (participates in β ladder)trans-105.7171.5169.700000109.7A285 Y286G213-A285 WeakPolarHBondContact O-CA 3.5Å; G213-Y286 VanDerWaalsContact C-CD1 3.44Å; G213-Y286 PolarHBondContact N-O 2.86Å; G213-Y286 WeakPolarHBondContact O-CD1 3.43Å; G213-Y286 PolarHBondContact O-N 2.8Å
214I91.3Very high86.9Confident0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-109.5112.6-178.5-63.3150.1000108.2I206 V208 I216 S259 L264 Y283I206-I214 HydrophobicContact CB-CD1 3.96Å; I206-I214 HydrophobicContact CG2-CD1 3.74Å; I206-I214 HydrophobicContact CG2-CG1 4.12Å; I206-I214 HydrophobicContact CG2-CG2 4.23Å; I206-I214 VanDerWaalsContact O-CD1 3.23Å; I206-I214 WeakPolarHBondContact O-CD1 2.97Å; V208-I214 HydrophobicContact CB-CG1 4.34Å; V208-I214 HydrophobicContact CG1-CD1 4.27Å; V208-I214 HydrophobicContact CG1-CG1 3.7Å; V208-I214 HydrophobicContact CG2-CD1 4.2Å; V208-I214 HydrophobicContact CG2-CG1 3.72Å; I214-I216 HydrophobicContact CG2-CG2 4.03Å; I214-S259 WeakPolarHBondContact O-CB 3.48Å; I214-S259 PolarHBondContact O-N 2.04Å; I214-L264 HydrophobicContact CB-CB 4.19Å; I214-L264 HydrophobicContact CD1-CB 3.71Å; I214-L264 HydrophobicContact CG2-CB 4.2Å; I214-L264 HydrophobicContact CG2-CD2 3.93Å; I214-Y283 HydrophobicContact CG2-CD2 4.47Å
215E92.8Very high86.1Confident23 Ų2351.6 Ų51.611%0.10726%0.258CS..EExtended strand (participates in β ladder)trans-86.9134.1165.9-176.4172.272.300107.7V256 L257 R258 Y283 Q284 Y286E215-V256 HydrophobicContact CG-CG1 3.58Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.32Å; E215-L257 CarbonylContact C-O 3.56Å; E215-L257 WeakPolarHBondContact CA-O 3.46Å; E215-R258 HydrophobicContact CB-CG 4.19Å; E215-R258 HydrophobicContact CG-CG 4.04Å; E215-R258 IonicContact OE2-CZ 3.89Å; E215-R258 IonicContact OE2-NE 3.99Å; E215-R258 PolarHBondContact OE2-NE 2.86Å; E215-R258 IonicContact OE2-NH2 2.69Å; E215-R258 PolarHBondContact OE2-NH2 2.9Å; E215-Y283 CarbonylContact O-C 3.51Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 3.28Å; E215-Q284 HydrophobicContact CB-CG 4.13Å; E215-Q284 PolarHBondContact N-O 3.05Å; E215-Q284 PolarHBondContact O-N 3.37Å; E215-Q284 PolarHBondContact OE1-NE2 2.91Å; E215-Y286 HydrophobicContact CB-CD1 3.88Å
216I93.1Very high85.4Confident1 Ų155.1 Ų55.11%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-116.1140170.461.4168.1000110.2I214 V231 V256 L257 L264 L266 I281 H282I214-I216 HydrophobicContact CG2-CG2 4.03Å; I216-V231 HydrophobicContact CD1-CG1 3.77Å; I216-V231 HydrophobicContact CD1-CG2 3.96Å; I216-V256 CarbonylContact O-C 3.57Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.23Å; I216-L257 HydrophobicContact CD1-CB 4.3Å; I216-L257 HydrophobicContact CD1-CD1 4.3Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.94Å; I216-L257 PolarHBondContact O-N 2.79Å; I216-L264 HydrophobicContact CD1-CD2 4.28Å; I216-L264 HydrophobicContact CG2-CD2 3.49Å; I216-L264 VanDerWaalsContact CG2-CD2 3.49Å; I216-L266 HydrophobicContact CD1-CD2 4.24Å; I216-I281 HydrophobicContact CB-CG2 3.67Å; I216-I281 HydrophobicContact CD1-CG2 4.36Å; I216-I281 HydrophobicContact CG2-CG2 3.94Å; I216-H282 CarbonylContact C-O 3.35Å; I216-H282 VanDerWaalsContact CA-O 3.31Å; I216-H282 WeakPolarHBondContact CA-O 3.49Å
217Q93.1Very high85Confident80 Ų8055.8 Ų55.837%0.37428%0.275SS..EExtended strand (participates in β ladder)trans-119119.8168.6-175.3177.230.300109.1Q219 Q255 V256 H282Q217-Q219 PolarHBondContact O-N 3.34Å; Q217-Q255 WeakPolarHBondContact CA-O 3.36Å; Q217-V256 HydrophobicContact CB-CG2 4.26Å; Q217-V256 HydrophobicContact CG-CG2 4.03Å; Q217-H282 HydrophobicContact CB-CB 4.43Å; Q217-H282 PolarHBondContact N-O 2.73Å; Q217-H282 PolarHBondContact O-N 3.44Å
218V91.9Very high84.9Confident0 Ų057.3 Ų57.30%028%0.282CS..EExtended strand (participates in β ladder)trans-71.1111.1174.3-178.10000108.3L221 L251 G252 G254 Q255 I281V218-L221 HydrophobicContact CG1-CB 3.75Å; V218-L221 HydrophobicContact CG1-CD2 4.46Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; V218-L251 HydrophobicContact CG2-CD2 3.99Å; V218-G252 VanDerWaalsContact CB-O 3.3Å; V218-G252 WeakPolarHBondContact CB-O 3.26Å; V218-G252 WeakPolarHBondContact CG1-O 3.06Å; V218-G254 PolarHBondContact O-N 2.75Å; V218-Q255 HydrophobicContact CB-CB 4.5Å; V218-Q255 HydrophobicContact CG2-CB 4.29Å; V218-Q255 PolarHBondContact N-O 2.85Å; V218-I281 HydrophobicContact CG2-CG1 4.44Å
219Q88.7Confident84.8Confident71 Ų7157 Ų5733%0.33228%0.28SS..EExtended strand (participates in β ladder)trans-87.3-46.2178-64.7-163.9-38.400111.7Y183 Q217 R280 H282Y183-Q219 VanDerWaalsContact CE1-OE1 3.31Å; Q217-Q219 PolarHBondContact O-N 3.34Å; Q219-R280 WeakPolarHBondContact CA-O 3.07Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.16Å; Q219-R280 WeakPolarHBondContact CB-O 3.47Å; Q219-R280 PolarHBondContact N-O 3.06Å; Q219-R280 VanDerWaalsContact OE1-NE 3.17Å; Q219-H282 HydrophobicContact CG-CB 4.05Å
220T84.8Confident85.1Confident65 Ų6551.1 Ų51.140%0.39926%0.259SS..EExtended strand (participates in β ladder)trans-137.2146.2171.166.10000111.4E253 F279 R280T220-E253 WeakPolarHBondContact CA-OE1 3.43Å; T220-E253 WeakPolarHBondContact CB-OE1 3.04Å; T220-F279 WeakPolarHBondContact O-CA 3.37Å; T220-R280 PolarHBondContact N-O 3.34Å; T220-R280 VanDerWaalsContact N-O 3.1Å; T220-R280 PolarHBondContact O-N 2.88Å; T220-R280 VanDerWaalsContact OG1-CB 3.22Å; T220-R280 WeakPolarHBondContact OG1-CB 3.34Å; T220-R280 PolarHBondContact OG1-N 2.93Å
221L87.3Confident85.5Confident32 Ų3247.9 Ų47.917%0.16824%0.238CC..EExtended strand (participates in β ladder)trans-150.196.3-178.7-170.874.6000111.4V218 L223 L229 L251 E253 F279V218-L221 HydrophobicContact CG1-CB 3.75Å; V218-L221 HydrophobicContact CG1-CD2 4.46Å; V218-L221 HydrophobicContact CG1-CG 4.48Å; L221-L223 HydrophobicContact CD1-CD1 3.88Å; L221-L223 HydrophobicContact CD1-CD2 4.47Å; L221-L223 HydrophobicContact CD1-CG 3.88Å; L221-L223 HydrophobicContact CG-CG 4.31Å; L221-L229 HydrophobicContact CD1-CD2 3.99Å; L221-L251 VanDerWaalsContact CD2-C 3.41Å; L221-L251 HydrophobicContact CD2-CB 3.54Å; L221-L251 VanDerWaalsContact CD2-O 3.29Å; L221-L251 WeakPolarHBondContact CD2-O 3.41Å; L221-E253 HydrophobicContact CB-CG 4.19Å; L221-E253 PolarHBondContact N-OE1 2.75Å; L221-F279 HydrophobicContact CD1-CB 4Å
222N82.8Confident86.1Confident99 Ų9949.1 Ų49.153%0.52924%0.244SC..EExtended strand (participates in β ladder)trans-122.478.5178-177.425.7000109.4G276 G277 G278N222-G276 PolarHBondContact ND2-O 3.48Å; N222-G277 CarbonylContact O-C 3.56Å; N222-G277 WeakPolarHBondContact O-CA 2.94Å; N222-G278 PolarHBondContact N-O 2.85Å; N222-G278 PolarHBondContact O-N 3.08Å
223L80.8Confident85.9Confident40 Ų4045 Ų4521%0.20923%0.23CC..  trans-98.7142.8179.1-57.2-175.8000110.9L221 E227 L229 F268 F279L221-L223 HydrophobicContact CD1-CD1 3.88Å; L221-L223 HydrophobicContact CD1-CD2 4.47Å; L221-L223 HydrophobicContact CD1-CG 3.88Å; L221-L223 HydrophobicContact CG-CG 4.31Å; L223-E227 HydrophobicContact CB-CB 4.32Å; L223-L229 HydrophobicContact CD1-CB 3.73Å; L223-L229 HydrophobicContact CD1-CD2 4.37Å; L223-F268 HydrophobicContact CD2-CE2 3.92Å; L223-F279 HydrophobicContact CD2-CD1 4.37Å
224S77.5Confident85.2Confident62 Ų6245.3 Ų45.343%0.43423%0.233SC..  trans-81.1166171.969.60000112.5E226 E227S224-E226 PolarHBondContact O-N 2.86Å; S224-E227 VanDerWaalsContact CB-OE2 3.26Å; S224-E227 WeakPolarHBondContact CB-OE2 3.47Å; S224-E227 PolarHBondContact N-OE2 3.2Å; S224-E227 PolarHBondContact O-N 3.26Å; S224-E227 VanDerWaalsContact OG-CD 3.22Å; S224-E227 WeakPolarHBondContact OG-CG 3.3Å; S224-E227 PolarHBondContact OG-OE2 2.82Å
225Q72.2Confident84Confident208 Ų20846.4 Ų46.497%0.97224%0.244SC*.THydrogen-bonded Turntrans-65.5-7.3-178.7-68.3-176.1-15.900114.9
226E74.6Confident82.3Confident98 Ų9848.1 Ų48.146%0.45827%0.268SS..THydrogen-bonded Turntrans-106.72.7175.5-62-177-179.800112.2S224 P271 R272S224-E226 PolarHBondContact O-N 2.86Å; E226-P271 HydrophobicContact CB-CG 3.83Å; E226-P271 WeakPolarHBondContact O-CD 3.31Å; E226-P271 WeakPolarHBondContact O-CG 3.26Å; E226-R272 IonicContact OE1-CZ 3.9Å; E226-R272 IonicContact OE1-NE 3.69Å; E226-R272 IonicContact OE1-NH2 2.81Å; E226-R272 PolarHBondContact OE1-NH2 2.9Å; E226-R272 IonicContact OE2-CZ 2.79Å; E226-R272 VanDerWaalsContact OE2-CZ 3.24Å; E226-R272 IonicContact OE2-NE 3.24Å; E226-R272 PolarHBondContact OE2-NE 2.86Å; E226-R272 IonicContact OE2-NH2 3.37Å; E226-R272 PolarHBondContact OE2-NH2 3.12Å
227E81.2Confident80.4Confident14 Ų1452 Ų527%0.06530%0.296CS..  trans-108.6131.6-175.8-76.2170.6137.400112.2L223 S224 F268 S270 P274L223-E227 HydrophobicContact CB-CB 4.32Å; S224-E227 VanDerWaalsContact CB-OE2 3.26Å; S224-E227 WeakPolarHBondContact CB-OE2 3.47Å; S224-E227 PolarHBondContact N-OE2 3.2Å; S224-E227 PolarHBondContact O-N 3.26Å; S224-E227 VanDerWaalsContact OG-CD 3.22Å; S224-E227 WeakPolarHBondContact OG-CG 3.3Å; S224-E227 PolarHBondContact OG-OE2 2.82Å; E227-F268 HydrophobicContact CB-CE2 4.22Å; E227-F268 HydrophobicContact CG-CE2 4.46Å; E227-F268 HydrophobicContact CG-CZ 4.42Å; E227-S270 VanDerWaalsContact CG-OG 3.25Å; E227-S270 WeakPolarHBondContact CG-OG 3.43Å; E227-S270 WeakPolarHBondContact OE1-CB 3.39Å; E227-S270 PolarHBondContact OE1-OG 2.7Å; E227-P274 WeakPolarHBondContact OE1-CB 3.39Å; E227-P274 WeakPolarHBondContact OE1-CG 3.29Å
228E85.3Confident78.3Confident84 Ų8455 Ų5539%0.39332%0.322SS..EExtended strand (participates in β ladder)trans-117.3138.2-179.8-171.5166.8-139.500111.3L230 F268 Q269E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.02Å; E228-F268 WeakPolarHBondContact O-CA 3.32Å; E228-F268 VanDerWaalsContact O-CD2 3.3Å; E228-F268 WeakPolarHBondContact O-CD2 3.47Å; E228-Q269 PolarHBondContact N-O 2.95Å; E228-Q269 PolarHBondContact O-N 2.93Å
229L88.1Confident76.5Confident0 Ų058.9 Ų58.90%036%0.362CS..EExtended strand (participates in β ladder)trans-131.4117.1174.4179.261.2000108.6L221 L223 N247 S248 L251 H267 F268 F279 I281L221-L229 HydrophobicContact CD1-CD2 3.99Å; L223-L229 HydrophobicContact CD1-CB 3.73Å; L223-L229 HydrophobicContact CD1-CD2 4.37Å; L229-N247 CarbonylContact O-C 3.49Å; L229-S248 PolarHBondContact O-N 2.93Å; L229-L251 HydrophobicContact CB-CD1 4.41Å; L229-L251 HydrophobicContact CD2-CD1 3.88Å; L229-L251 HydrophobicContact CG-CD1 3.99Å; L229-H267 WeakPolarHBondContact CA-O 3.5Å; L229-F268 HydrophobicContact CB-CD2 4.37Å; L229-F268 HydrophobicContact CD1-CB 4.01Å; L229-F268 HydrophobicContact CD1-CD2 4.42Å; L229-F279 HydrophobicContact CD1-CE1 4.33Å; L229-F279 HydrophobicContact CD1-CZ 4.33Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.21Å; L229-F279 HydrophobicContact CD2-CD2 4.36Å; L229-F279 HydrophobicContact CD2-CG 4.07Å; L229-I281 HydrophobicContact CD2-CD1 4.14Å
230L89.4Confident75.1Confident33 Ų3361.8 Ų61.817%0.17338%0.379CS..EExtended strand (participates in β ladder)trans-112.3129.9-179.6-57.7-178.6000110.5E228 L232 L244 N247 L266 H267E228-L230 HydrophobicContact CG-CD2 3.87Å; E228-L230 HydrophobicContact CG-CG 4.02Å; L230-L232 HydrophobicContact CB-CD2 4.1Å; L230-L232 HydrophobicContact CB-CG 4.36Å; L230-L244 HydrophobicContact CB-CD1 4.26Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L230-N247 HydrophobicContact CD2-CB 3.75Å; L230-L266 WeakPolarHBondContact O-CA 3.34Å; L230-H267 HydrophobicContact CB-CB 4.4Å; L230-H267 PolarHBondContact N-O 3.01Å; L230-H267 PolarHBondContact O-N 3.45Å
231V90.6Very high74.2Confident0 Ų062.9 Ų62.90%039%0.394CS..EExtended strand (participates in β ladder)trans-101.4113.9174.3-1780000108I216 L245 A246 L251 L257 L264 L266I216-V231 HydrophobicContact CD1-CG1 3.77Å; I216-V231 HydrophobicContact CD1-CG2 3.96Å; V231-L245 HydrophobicContact CB-CB 4.49Å; V231-L245 HydrophobicContact CG1-CB 4.14Å; V231-L245 HydrophobicContact CG1-CD1 4.23Å; V231-L245 PolarHBondContact O-N 2.61Å; V231-A246 HydrophobicContact CB-CB 4.31Å; V231-A246 HydrophobicContact CG2-CB 4.45Å; V231-A246 PolarHBondContact N-O 2.73Å; V231-A246 PolarHBondContact O-N 2.9Å; V231-L251 HydrophobicContact CG2-CD1 4.01Å; V231-L251 HydrophobicContact CG2-CD2 4.04Å; V231-L257 HydrophobicContact CG1-CD1 4.47Å; V231-L257 HydrophobicContact CG2-CD1 4.45Å; V231-L264 HydrophobicContact CG1-CD1 3.72Å; V231-L264 HydrophobicContact CG1-CD2 4.28Å; V231-L264 HydrophobicContact CG1-CG 4.38Å; V231-L266 HydrophobicContact CB-CD2 4.28Å; V231-L266 HydrophobicContact CG1-CD2 4.09Å; V231-L266 HydrophobicContact CG2-CD2 3.83Å
232L88.3Confident73.7Confident27 Ų2764.5 Ų64.514%0.14141%0.407CS..EExtended strand (participates in β ladder)trans-122.2131.2-173.7-46174.8000111.4L230 P242 R243 L244 L264 L265L230-L232 HydrophobicContact CB-CD2 4.1Å; L230-L232 HydrophobicContact CB-CG 4.36Å; L232-P242 HydrophobicContact CB-CB 4.14Å; L232-P242 HydrophobicContact CD1-CG 4.18Å; L232-R243 CarbonylContact C-O 3.56Å; L232-R243 WeakPolarHBondContact CA-O 3.49Å; L232-L244 HydrophobicContact CD2-CB 4.1Å; L232-L244 HydrophobicContact CD2-CD1 3.63Å; L232-L244 HydrophobicContact CD2-CG 4.49Å; L232-L264 VanDerWaalsContact O-CD1 3.28Å; L232-L264 WeakPolarHBondContact O-CD1 3.45Å; L232-L265 HydrophobicContact CB-CB 4.28Å; L232-L265 PolarHBondContact N-O 2.89Å; L232-L265 PolarHBondContact O-N 2.9Å
233A83.5Confident73.7Confident8 Ų868.1 Ų68.17%0.06641%0.413CS..EExtended strand (participates in β ladder)trans-79.3124.1168.100000110.7P242 R243 L245 P260A233-P242 CarbonylContact O-C 3.57Å; A233-P242 VanDerWaalsContact O-CA 3.28Å; A233-P242 WeakPolarHBondContact O-CA 3.39Å; A233-P242 WeakPolarHBondContact O-CB 3.3Å; A233-R243 PolarHBondContact N-O 2.69Å; A233-R243 PolarHBondContact O-N 3.12Å; A233-L245 HydrophobicContact CB-CD1 4.1Å; A233-L245 HydrophobicContact CB-CD2 4.03Å; A233-L245 HydrophobicContact CB-CG 4.1Å; A233-P260 HydrophobicContact CB-CG 4.46Å
234G73.1Confident74Confident7 Ų770.6 Ų70.67%0.07243%0.426CS..EExtended strand (participates in β ladder)trans-101.5169.2172.100000112.4T261 R263G234-T261 WeakPolarHBondContact O-CB 3.23Å; G234-T261 WeakPolarHBondContact O-CG2 3.38Å; G234-T261 PolarHBondContact O-OG1 2.9Å; G234-R263 PolarHBondContact N-O 2.69Å
235G64.3Low74.4Confident23 Ų2369.8 Ų69.824%0.23742%0.417CS..  trans8828.9169.500000116.7T334G235-T334 WeakPolarHBondContact O-CB 3.4Å; G235-T334 PolarHBondContact O-OG1 2.89Å
236G58.5Low75.2Confident58 Ų5860 Ų6060%0.59837%0.371SS*.SBendtrans-73.2-175.2157.300000112.4
237S53.2Low75.8Confident84 Ų8457.1 Ų57.159%0.58736%0.359SS*.SBendtrans-54.4146179-44.90000112.4G239 L240S237-G239 PolarHBondContact O-N 3.38Å; S237-L240 PolarHBondContact O-N 2.99Å; S237-L240 VanDerWaalsContact O-N 3.1Å
238P48.3Very low75.8Confident142 Ų14258.3 Ų58.392%0.92237%0.369SS*.THydrogen-bonded Turntrans-60.2110.4-174.724.2-34.3000111.4
239G54.6Low75.7Confident82 Ų8258.9 Ų58.985%0.84538%0.382SS*.THydrogen-bonded Turntrans124.1-17.5-177.700000114.8S237S237-G239 PolarHBondContact O-N 3.38Å
240L59.7Low75.5Confident131 Ų13164.6 Ų64.669%0.68641%0.411SS*.PPolyproline II helixtrans-78.3139.1173.1-83.185.8000111.9S237S237-L240 PolarHBondContact O-N 2.99Å; S237-L240 VanDerWaalsContact O-N 3.1Å
241A65.3Low75.2Confident88 Ų8863.8 Ų63.873%0.72741%0.406SS*.PPolyproline II helixtrans-66.5151.6169.300000111.4
242P76.4Confident75Confident67 Ų6765.1 Ų65.144%0.43542%0.42SS..PPolyproline II helixtrans-66.6139.7178.330.1-36.4000111.3L232 A233L232-P242 HydrophobicContact CB-CB 4.14Å; L232-P242 HydrophobicContact CD1-CG 4.18Å; A233-P242 CarbonylContact O-C 3.57Å; A233-P242 VanDerWaalsContact O-CA 3.28Å; A233-P242 WeakPolarHBondContact O-CA 3.39Å; A233-P242 WeakPolarHBondContact O-CB 3.3Å
243R83.1Confident74.9Confident175 Ų17570 Ų7066%0.6644%0.442SS*.EExtended strand (participates in β ladder)trans-86.5124.5-175.1171.6176170.9174-3.2110.8L232 A233 L245L232-R243 CarbonylContact C-O 3.56Å; L232-R243 WeakPolarHBondContact CA-O 3.49Å; A233-R243 PolarHBondContact N-O 2.69Å; A233-R243 PolarHBondContact O-N 3.12Å; R243-L245 PolarHBondContact O-N 3.08Å
244L86.6Confident75Confident92 Ų9271.8 Ų71.848%0.48246%0.461SS..EExtended strand (participates in β ladder)trans-59.8127.5169.2-175.864.9000110.8L230 L232 A246L230-L244 HydrophobicContact CB-CD1 4.26Å; L230-L244 HydrophobicContact CD2-CD1 4.06Å; L232-L244 HydrophobicContact CD2-CB 4.1Å; L232-L244 HydrophobicContact CD2-CD1 3.63Å; L232-L244 HydrophobicContact CD2-CG 4.49Å; L244-A246 VanDerWaalsContact CD1-O 3.25Å; L244-A246 WeakPolarHBondContact CD1-O 3.25Å
245L87Confident75.8Confident45 Ų4575.4 Ų75.424%0.23648%0.477CS..EExtended strand (participates in β ladder)trans-102.4-41.6172.6-58.7-176.1000111.4V231 A233 R243 L264V231-L245 HydrophobicContact CB-CB 4.49Å; V231-L245 HydrophobicContact CG1-CB 4.14Å; V231-L245 HydrophobicContact CG1-CD1 4.23Å; V231-L245 PolarHBondContact O-N 2.61Å; A233-L245 HydrophobicContact CB-CD1 4.1Å; A233-L245 HydrophobicContact CB-CD2 4.03Å; A233-L245 HydrophobicContact CB-CG 4.1Å; R243-L245 PolarHBondContact O-N 3.08Å; L245-L264 HydrophobicContact CD1-CD1 3.82Å
246A87.3Confident77.1Confident2 Ų277.1 Ų77.12%0.01748%0.482CS..EExtended strand (participates in β ladder)trans-156149.6176.600000111.1V231 L244 M250 L251 L257V231-A246 HydrophobicContact CB-CB 4.31Å; V231-A246 HydrophobicContact CG2-CB 4.45Å; V231-A246 PolarHBondContact N-O 2.73Å; V231-A246 PolarHBondContact O-N 2.9Å; L244-A246 VanDerWaalsContact CD1-O 3.25Å; L244-A246 WeakPolarHBondContact CD1-O 3.25Å; A246-M250 HydrophobicContact CB-CB 3.99Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.28Å; A246-L257 HydrophobicContact CB-CD1 3.46Å; A246-L257 VanDerWaalsContact CB-CD1 3.46Å
247N87.3Confident78.7Confident38 Ų3876 Ų7620%0.20346%0.462CS..  trans-107.1178.716972.9-7.1000110.8L229 L230 S249 M250 L251L229-N247 CarbonylContact O-C 3.49Å; L230-N247 HydrophobicContact CD2-CB 3.75Å; N247-S249 VanDerWaalsContact CG-OG 3.24Å; N247-S249 PolarHBondContact ND2-OG 3.13Å; N247-S249 PolarHBondContact O-N 2.82Å; N247-S249 VanDerWaalsContact O-N 3.12Å; N247-S249 PolarHBondContact OD1-N 3.48Å; N247-S249 PolarHBondContact OD1-OG 3.08Å; N247-M250 PolarHBondContact O-N 3.38Å; N247-M250 WeakPolarHBondContact OD1-CG 3.26Å; N247-M250 PolarHBondContact OD1-N 2.83Å; N247-M250 VanDerWaalsContact OD1-N 3.14Å; N247-L251 WeakPolarHBondContact O-CG 3.09Å; N247-L251 PolarHBondContact O-N 3.22Å
248S82.9Confident80.5Confident39 Ų3979 Ų7927%0.27346%0.461SS..G310 helixtrans-56.5-29.7-179.351.90000114.2L229L229-S248 PolarHBondContact O-N 2.93Å
249S82.9Confident82.4Confident96 Ų9672.3 Ų72.367%0.67142%0.417SS*.G310 helixtrans-78.8-13.8176.262.20000115.3N247N247-S249 VanDerWaalsContact CG-OG 3.24Å; N247-S249 PolarHBondContact ND2-OG 3.13Å; N247-S249 PolarHBondContact O-N 2.82Å; N247-S249 VanDerWaalsContact O-N 3.12Å; N247-S249 PolarHBondContact OD1-N 3.48Å; N247-S249 PolarHBondContact OD1-OG 3.08Å
250M82.8Confident83.8Confident120 Ų12070.1 Ų70.159%0.59139%0.388SS*.G310 helixtrans-101.7-0.8177.6-67.9171.8-177.200112.7A246 N247A246-M250 HydrophobicContact CB-CB 3.99Å; N247-M250 PolarHBondContact O-N 3.38Å; N247-M250 WeakPolarHBondContact OD1-CG 3.26Å; N247-M250 PolarHBondContact OD1-N 2.83Å; N247-M250 VanDerWaalsContact OD1-N 3.14Å
251L84.4Confident85.1Confident16 Ų1664.2 Ų64.28%0.08436%0.357CS..  trans-102.6143.8178.2-63.4168.8000109.8V218 L221 L229 V231 A246 N247 L257V218-L251 HydrophobicContact CG2-CD2 3.99Å; L221-L251 VanDerWaalsContact CD2-C 3.41Å; L221-L251 HydrophobicContact CD2-CB 3.54Å; L221-L251 VanDerWaalsContact CD2-O 3.29Å; L221-L251 WeakPolarHBondContact CD2-O 3.41Å; L229-L251 HydrophobicContact CB-CD1 4.41Å; L229-L251 HydrophobicContact CD2-CD1 3.88Å; L229-L251 HydrophobicContact CG-CD1 3.99Å; V231-L251 HydrophobicContact CG2-CD1 4.01Å; V231-L251 HydrophobicContact CG2-CD2 4.04Å; A246-L251 HydrophobicContact CB-CD2 4.02Å; A246-L251 HydrophobicContact CB-CG 4.28Å; N247-L251 WeakPolarHBondContact O-CG 3.09Å; N247-L251 PolarHBondContact O-N 3.22Å; L251-L257 HydrophobicContact CD2-CD1 3.56Å
252G85.4Confident86.1Confident28 Ų2860.5 Ų60.529%0.28933%0.325SS..  trans-160.3161.6176.400000110.2V218 G254 Q255V218-G252 VanDerWaalsContact CB-O 3.3Å; V218-G252 WeakPolarHBondContact CB-O 3.26Å; V218-G252 WeakPolarHBondContact CG1-O 3.06Å; G252-G254 PolarHBondContact O-N 3.4Å; G252-Q255 WeakPolarHBondContact O-CB 3.47Å; G252-Q255 PolarHBondContact O-N 2.77Å
253E86.9Confident86.7Confident128 Ų12862.3 Ų62.360%0.59832%0.324SS*.THydrogen-bonded Turntrans-62.9131-178.5-57.5-169.615400111T220 L221 Q255T220-E253 WeakPolarHBondContact CA-OE1 3.43Å; T220-E253 WeakPolarHBondContact CB-OE1 3.04Å; L221-E253 HydrophobicContact CB-CG 4.19Å; L221-E253 PolarHBondContact N-OE1 2.75Å; E253-Q255 VanDerWaalsContact C-N 3.34Å
254G84.8Confident87Confident46 Ų4654 Ų5447%0.47429%0.292SS..THydrogen-bonded Turntrans85.4-8.8-171.300000115.4V218 G252 V256V218-G254 PolarHBondContact O-N 2.75Å; G252-G254 PolarHBondContact O-N 3.4Å; G254-V256 PolarHBondContact O-N 2.92Å
255Q91Very high87.1Confident84 Ų8451.7 Ų51.739%0.39328%0.28SS..  trans-64.4131.9178.7-174.961.936.400111.1Q217 V218 G252 E253 L257Q217-Q255 WeakPolarHBondContact CA-O 3.36Å; V218-Q255 HydrophobicContact CB-CB 4.5Å; V218-Q255 HydrophobicContact CG2-CB 4.29Å; V218-Q255 PolarHBondContact N-O 2.85Å; G252-Q255 WeakPolarHBondContact O-CB 3.47Å; G252-Q255 PolarHBondContact O-N 2.77Å; E253-Q255 VanDerWaalsContact C-N 3.34Å; Q255-L257 HydrophobicContact CG-CG 4.36Å
256V91.5Very high87.3Confident59 Ų5949.5 Ų49.536%0.35827%0.269SS..EExtended strand (participates in β ladder)trans-109.6137.6174.7-179.20000109.7E215 I216 Q217 G254E215-V256 HydrophobicContact CG-CG1 3.58Å; E215-V256 WeakPolarHBondContact OE2-CG1 3.32Å; I216-V256 CarbonylContact O-C 3.57Å; I216-V256 VanDerWaalsContact O-CA 3.29Å; I216-V256 WeakPolarHBondContact O-CA 3.23Å; Q217-V256 HydrophobicContact CB-CG2 4.26Å; Q217-V256 HydrophobicContact CG-CG2 4.03Å; G254-V256 PolarHBondContact O-N 2.92Å
257L90.9Very high87.3Confident34 Ų3451.3 Ų51.318%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-137.4143.4175.7-63171000110.2E215 I216 V231 A246 L251 Q255E215-L257 CarbonylContact C-O 3.56Å; E215-L257 WeakPolarHBondContact CA-O 3.46Å; I216-L257 HydrophobicContact CD1-CB 4.3Å; I216-L257 HydrophobicContact CD1-CD1 4.3Å; I216-L257 HydrophobicContact CG1-CB 3.84Å; I216-L257 PolarHBondContact N-O 2.94Å; I216-L257 PolarHBondContact O-N 2.79Å; V231-L257 HydrophobicContact CG1-CD1 4.47Å; V231-L257 HydrophobicContact CG2-CD1 4.45Å; A246-L257 HydrophobicContact CB-CD1 3.46Å; A246-L257 VanDerWaalsContact CB-CD1 3.46Å; L251-L257 HydrophobicContact CD2-CD1 3.56Å; Q255-L257 HydrophobicContact CG-CG 4.36Å
258R91.1Very high87.3Confident147 Ų14749.6 Ų49.656%0.55527%0.268SS*.EExtended strand (participates in β ladder)trans-115.7123.8-179.6-72.3-176.5179.4-166.2-8.1111.4E215 P260 Y286E215-R258 HydrophobicContact CB-CG 4.19Å; E215-R258 HydrophobicContact CG-CG 4.04Å; E215-R258 IonicContact OE2-CZ 3.89Å; E215-R258 IonicContact OE2-NE 3.99Å; E215-R258 PolarHBondContact OE2-NE 2.86Å; E215-R258 IonicContact OE2-NH2 2.69Å; E215-R258 PolarHBondContact OE2-NH2 2.9Å; R258-P260 WeakPolarHBondContact O-CD 3.35Å; R258-Y286 HydrophobicContact CB-CE1 3.76Å; R258-Y286 HydrophobicContact CG-CD1 4.34Å; R258-Y286 HydrophobicContact CG-CE1 3.92Å
259S88.1Confident87.4Confident1 Ų151.1 Ų51.11%0.00727%0.27CS..  trans-74.8118.3172.5-172.50000110.3I214 T261 R263 Y286I214-S259 WeakPolarHBondContact O-CB 3.48Å; I214-S259 PolarHBondContact O-N 2.04Å; S259-T261 PolarHBondContact O-N 2.92Å; S259-T261 PolarHBondContact OG-O 2.84Å; S259-T261 PolarHBondContact OG-OG1 3.07Å; S259-R263 PolarHBondContact OG-O 2.85Å; S259-Y286 PolarHBondContact O-OH 3.4Å; S259-Y286 VanDerWaalsContact O-OH 3.05Å
260P84.3Confident87.2Confident36 Ų3646.7 Ų46.723%0.23424%0.239CC..SBendtrans-80.431.6-179.638.6-39.6000112.3A233 R258 R335A233-P260 HydrophobicContact CB-CG 4.46Å; R258-P260 WeakPolarHBondContact O-CD 3.35Å; P260-R335 PolarHBondContact O-NE 2.96Å; P260-R335 VanDerWaalsContact O-NE 3.1Å; P260-R335 PolarHBondContact O-NH2 2.83Å; P260-R335 VanDerWaalsContact O-NH2 3.07Å
261T87.3Confident86.6Confident7 Ų743.5 Ų43.54%0.04323%0.227CC..SBendtrans-159.6158.2177.355.90000110.2G234 S259 R263 T334 R335G234-T261 WeakPolarHBondContact O-CB 3.23Å; G234-T261 WeakPolarHBondContact O-CG2 3.38Å; G234-T261 PolarHBondContact O-OG1 2.9Å; S259-T261 PolarHBondContact O-N 2.92Å; S259-T261 PolarHBondContact OG-O 2.84Å; S259-T261 PolarHBondContact OG-OG1 3.07Å; T261-R263 PolarHBondContact O-N 2.73Å; T261-R263 PolarHBondContact OG1-O 3.47Å; T261-T334 CarbonylContact C-O 3.57Å; T261-T334 WeakPolarHBondContact CA-O 2.9Å; T261-T334 WeakPolarHBondContact CB-O 3.4Å; T261-R335 HydrophobicContact CG2-CB 4.47Å
262N86.6Confident85.7Confident10 Ų1050.1 Ų50.15%0.05325%0.252CS..SBendtrans-71.48.2176.786.3-47.6000115.6V208 Y212 T334V208-N262 HydrophobicContact CG2-CB 4.03Å; V208-N262 PolarHBondContact N-O 3.17Å; V208-N262 VanDerWaalsContact N-O 3.08Å; V208-N262 PolarHBondContact O-ND2 3.02Å; Y212-N262 WeakPolarHBondContact O-CA 3.42Å; Y212-N262 WeakPolarHBondContact O-CB 3.49Å; N262-T334 PolarHBondContact N-O 3.47Å; N262-T334 VanDerWaalsContact OD1-CA 3.29Å; N262-T334 WeakPolarHBondContact OD1-CA 3.35Å; N262-T334 WeakPolarHBondContact OD1-CB 3.35Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.28Å
263R88.1Confident84.4Confident105 Ų10552.7 Ų52.740%0.39626%0.261SS..EExtended strand (participates in β ladder)trans-133.8123.3179.5-58.7-173-176-164.62.5111.2I206 G234 S259 T261I206-R263 WeakPolarHBondContact O-CA 3.46Å; G234-R263 PolarHBondContact N-O 2.69Å; S259-R263 PolarHBondContact OG-O 2.85Å; T261-R263 PolarHBondContact O-N 2.73Å; T261-R263 PolarHBondContact OG1-O 3.47Å
264L89.9Confident83Confident1 Ų147.6 Ų47.61%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-118.4142.6172.8-17072.3000109.4I206 I214 I216 V231 L232 L245 L266I206-L264 HydrophobicContact CB-CB 4.48Å; I206-L264 PolarHBondContact N-O 2.84Å; I206-L264 PolarHBondContact O-N 2.82Å; I214-L264 HydrophobicContact CB-CB 4.19Å; I214-L264 HydrophobicContact CD1-CB 3.71Å; I214-L264 HydrophobicContact CG2-CB 4.2Å; I214-L264 HydrophobicContact CG2-CD2 3.93Å; I216-L264 HydrophobicContact CD1-CD2 4.28Å; I216-L264 HydrophobicContact CG2-CD2 3.49Å; I216-L264 VanDerWaalsContact CG2-CD2 3.49Å; V231-L264 HydrophobicContact CG1-CD1 3.72Å; V231-L264 HydrophobicContact CG1-CD2 4.28Å; V231-L264 HydrophobicContact CG1-CG 4.38Å; L232-L264 VanDerWaalsContact O-CD1 3.28Å; L232-L264 WeakPolarHBondContact O-CD1 3.45Å; L245-L264 HydrophobicContact CD1-CD1 3.82Å; L264-L266 HydrophobicContact CD2-CD2 4Å; L264-L266 HydrophobicContact CD2-CG 4.47Å; L264-L266 HydrophobicContact CG-CD2 4.42Å
265L89.4Confident81.6Confident43 Ų4357.2 Ų57.223%0.22526%0.261CS..EExtended strand (participates in β ladder)trans-118.2129.1170.5-66.980.1000108.5T203 Y204 L232T203-L265 HydrophobicContact CG2-CB 4.46Å; T203-L265 HydrophobicContact CG2-CD2 4.08Å; Y204-L265 CarbonylContact O-C 3.56Å; Y204-L265 VanDerWaalsContact O-CA 3.32Å; Y204-L265 WeakPolarHBondContact O-CA 3.42Å; L232-L265 HydrophobicContact CB-CB 4.28Å; L232-L265 PolarHBondContact N-O 2.89Å; L232-L265 PolarHBondContact O-N 2.9Å
266L89.6Confident79.9Confident0 Ų056.5 Ų56.50%028%0.276CS..EExtended strand (participates in β ladder)trans-107.9109.1171-57.4175.6000107.2V184 T203 Y204 I206 I216 L230 V231 L264 I281V184-L266 HydrophobicContact CB-CD1 4.05Å; V184-L266 HydrophobicContact CG1-CD1 4.11Å; V184-L266 HydrophobicContact CG2-CD1 4.05Å; T203-L266 CarbonylContact C-O 3.48Å; T203-L266 WeakPolarHBondContact CA-O 3.4Å; Y204-L266 HydrophobicContact CD2-CB 4.49Å; Y204-L266 PolarHBondContact N-O 2.96Å; Y204-L266 PolarHBondContact O-N 3Å; I206-L266 HydrophobicContact CD1-CD1 4.12Å; I216-L266 HydrophobicContact CD1-CD2 4.24Å; L230-L266 WeakPolarHBondContact O-CA 3.34Å; V231-L266 HydrophobicContact CB-CD2 4.28Å; V231-L266 HydrophobicContact CG1-CD2 4.09Å; V231-L266 HydrophobicContact CG2-CD2 3.83Å; L264-L266 HydrophobicContact CD2-CD2 4Å; L264-L266 HydrophobicContact CD2-CG 4.47Å; L264-L266 HydrophobicContact CG-CD2 4.42Å; L266-I281 HydrophobicContact CD1-CD1 4.26Å
267H88.6Confident78.7Confident39 Ų3954.7 Ų54.718%0.18127%0.27CS..EExtended strand (participates in β ladder)trans-104.6116.1-179.5177.979.3000109.3D201 T203 L229 L230D201-H267 IonicContact OD1-CE1 3.49Å; D201-H267 PolarHBondContact OD1-CE1 2.81Å; D201-H267 IonicContact OD1-ND1 2.75Å; D201-H267 IonicContact OD2-CE1 3.84Å; D201-H267 PolarHBondContact OD2-CE1 3.35Å; D201-H267 IonicContact OD2-NE2 2.72Å; T203-H267 PolarHBondContact OG1-ND1 2.92Å; L229-H267 WeakPolarHBondContact CA-O 3.5Å; L230-H267 HydrophobicContact CB-CB 4.4Å; L230-H267 PolarHBondContact N-O 3.01Å; L230-H267 PolarHBondContact O-N 3.45Å
268F86.8Confident78Confident3 Ų353.8 Ų53.81%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-115.6125.4-179.2176.1-118000110.3L200 C202 L223 E227 E228 L229 F279L200-F268 HydrophobicContact CD2-CE1 4.08Å; C202-F268 PolarHBondContact N-O 2.89Å; C202-F268 PolarHBondContact O-N 2.83Å; L223-F268 HydrophobicContact CD2-CE2 3.92Å; E227-F268 HydrophobicContact CB-CE2 4.22Å; E227-F268 HydrophobicContact CG-CE2 4.46Å; E227-F268 HydrophobicContact CG-CZ 4.42Å; E228-F268 WeakPolarHBondContact O-CA 3.32Å; E228-F268 VanDerWaalsContact O-CD2 3.3Å; E228-F268 WeakPolarHBondContact O-CD2 3.47Å; L229-F268 HydrophobicContact CB-CD2 4.37Å; L229-F268 HydrophobicContact CD1-CB 4.01Å; L229-F268 HydrophobicContact CD1-CD2 4.42Å; F268-F279 HydrophobicContact CB-CE1 4Å; F268-F279 HydrophobicContact CB-CZ 4.32Å; F268-F279 AromaticContact CD1-CE1 3.95Å; F268-F279 HydrophobicContact CD1-CE1 3.95Å; F268-F279 HydrophobicContact CD2-CD1 4.28Å; F268-F279 AromaticContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CE1-CE1 4.39Å; F268-F279 HydrophobicContact CE2-CD1 4.44Å; F268-F279 HydrophobicContact CE2-CE1 4.3Å; F268-F279 AromaticContact CG-CE1 3.64Å; F268-F279 HydrophobicContact CG-CE1 3.64Å; F268-F279 HydrophobicContact CG-CZ 4.42Å
269Q84.8Confident77.8Confident70 Ų7047 Ų4733%0.32724%0.243SC..EExtended strand (participates in β ladder)trans-123.7128.3177.4-167.2171.898.700110.7L200 D201 E228L200-Q269 WeakPolarHBondContact O-CA 3.39Å; D201-Q269 PolarHBondContact OD2-NE2 2.93Å; E228-Q269 PolarHBondContact N-O 2.95Å; E228-Q269 PolarHBondContact O-N 2.93Å
270S78.6Confident77.8Confident3 Ų350.3 Ų50.32%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-132.7119.1174.7-172.70000110.5L200 E227 R272L200-S270 PolarHBondContact N-O 3.19Å; L200-S270 PolarHBondContact O-N 3.05Å; E227-S270 VanDerWaalsContact CG-OG 3.25Å; E227-S270 WeakPolarHBondContact CG-OG 3.43Å; E227-S270 WeakPolarHBondContact OE1-CB 3.39Å; E227-S270 PolarHBondContact OE1-OG 2.7Å; S270-R272 PolarHBondContact O-N 2.85Å; S270-R272 PolarHBondContact OG-O 3.26Å; S270-R272 VanDerWaalsContact OG-O 3.12Å
271P70.8Confident78.1Confident53 Ų5348.6 Ų48.634%0.34424%0.244SC..SBendtrans-83.610.8-174.834.5-36.7000113.6G198 E226G198-P271 CarbonylContact O-C 3.59Å; E226-P271 HydrophobicContact CB-CG 3.83Å; E226-P271 WeakPolarHBondContact O-CD 3.31Å; E226-P271 WeakPolarHBondContact O-CG 3.26Å
272R65.4Low78.4Confident156 Ų15649 Ų4959%0.58925%0.245SC*.SBendtrans-148.6171.9174.4-53.9-172.3-156-132.28.2109.5E226 S270 P274E226-R272 IonicContact OE1-CZ 3.9Å; E226-R272 IonicContact OE1-NE 3.69Å; E226-R272 IonicContact OE1-NH2 2.81Å; E226-R272 PolarHBondContact OE1-NH2 2.9Å; E226-R272 IonicContact OE2-CZ 2.79Å; E226-R272 VanDerWaalsContact OE2-CZ 3.24Å; E226-R272 IonicContact OE2-NE 3.24Å; E226-R272 PolarHBondContact OE2-NE 2.86Å; E226-R272 IonicContact OE2-NH2 3.37Å; E226-R272 PolarHBondContact OE2-NH2 3.12Å; S270-R272 PolarHBondContact O-N 2.85Å; S270-R272 PolarHBondContact OG-O 3.26Å; S270-R272 VanDerWaalsContact OG-O 3.12Å; R272-P274 VanDerWaalsContact O-CD 3.28Å; R272-P274 WeakPolarHBondContact O-CD 3.41Å
273V58.4Low78.7Confident82 Ų8248.6 Ų48.650%0.49724%0.243SC..  trans-67.4118165.7-178.50000108.9L189L189-V273 HydrophobicContact CD2-CG1 4.27Å
274P56.9Low79Confident20 Ų2047.1 Ų47.113%0.1324%0.241CC..  trans-60.4144.6-176.4-22.230.7000112.9L189 E227 R272L189-P274 HydrophobicContact CD1-CB 3.78Å; L189-P274 HydrophobicContact CD1-CG 3.92Å; L189-P274 WeakPolarHBondContact CD1-O 3.45Å; E227-P274 WeakPolarHBondContact OE1-CB 3.39Å; E227-P274 WeakPolarHBondContact OE1-CG 3.29Å; R272-P274 VanDerWaalsContact O-CD 3.28Å; R272-P274 WeakPolarHBondContact O-CD 3.41Å
275R54.8Low79Confident249 Ų24948.7 Ų48.794%0.9425%0.254SS*.SBendtrans-111.265.1-177.6-71.4-172.2173.5-171.3-1.5112.2G277R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 3.16Å
276G56.6Low78.9Confident68 Ų6848.9 Ų48.970%0.70125%0.252SS*.SBendtrans78.37.2178.700000114.8N222N222-G276 PolarHBondContact ND2-O 3.48Å
277G65.8Low78.7Confident22 Ų2252.1 Ų52.123%0.22727%0.269CS..  trans-77.7157.2158.100000111N222 R275N222-G277 CarbonylContact O-C 3.56Å; N222-G277 WeakPolarHBondContact O-CA 2.94Å; R275-G277 VanDerWaalsContact C-N 3.26Å; R275-G277 PolarHBondContact O-N 3.16Å
278G76.9Confident78.6Confident15 Ų1550.8 Ų50.816%0.15526%0.263CS..EExtended strand (participates in β ladder)trans173.6173.6-177.100000112.2S186 N222S186-G278 VanDerWaalsContact OG-CA 3.25Å; S186-G278 WeakPolarHBondContact OG-CA 3.41Å; N222-G278 PolarHBondContact N-O 2.85Å; N222-G278 PolarHBondContact O-N 3.08Å
279F85.5Confident78.7Confident4 Ų453.3 Ų53.32%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-137.8149.2177.965.1-92.7000111.2V184 E185 S186 Y204 T220 L221 L223 L229 F268 I281V184-F279 HydrophobicContact CG1-CE2 4.14Å; E185-F279 WeakPolarHBondContact CA-O 3.29Å; S186-F279 PolarHBondContact N-O 3.17Å; S186-F279 PolarHBondContact OG-N 3.39Å; Y204-F279 HydrophobicContact CE2-CZ 4.04Å; T220-F279 WeakPolarHBondContact O-CA 3.37Å; L221-F279 HydrophobicContact CD1-CB 4Å; L223-F279 HydrophobicContact CD2-CD1 4.37Å; L229-F279 HydrophobicContact CD1-CE1 4.33Å; L229-F279 HydrophobicContact CD1-CZ 4.33Å; L229-F279 HydrophobicContact CD2-CB 4.38Å; L229-F279 HydrophobicContact CD2-CD1 4.21Å; L229-F279 HydrophobicContact CD2-CD2 4.36Å; L229-F279 HydrophobicContact CD2-CG 4.07Å; F268-F279 HydrophobicContact CB-CE1 4Å; F268-F279 HydrophobicContact CB-CZ 4.32Å; F268-F279 AromaticContact CD1-CE1 3.95Å; F268-F279 HydrophobicContact CD1-CE1 3.95Å; F268-F279 HydrophobicContact CD2-CD1 4.28Å; F268-F279 AromaticContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CD2-CE1 3.83Å; F268-F279 HydrophobicContact CE1-CE1 4.39Å; F268-F279 HydrophobicContact CE2-CD1 4.44Å; F268-F279 HydrophobicContact CE2-CE1 4.3Å; F268-F279 AromaticContact CG-CE1 3.64Å; F268-F279 HydrophobicContact CG-CE1 3.64Å; F268-F279 HydrophobicContact CG-CZ 4.42Å; F279-I281 HydrophobicContact CD2-CD1 3.98Å; F279-I281 HydrophobicContact CD2-CG1 4.14Å; F279-I281 HydrophobicContact CE2-CD1 4.42Å
280R87.8Confident78.9Confident70 Ų7050.1 Ų50.126%0.26427%0.267SS..EExtended strand (participates in β ladder)trans-129.6117.2170.2-173.5-179.4-163.879.826.2108.4E185 Q219 T220E185-R280 HydrophobicContact CG-CG 4.25Å; E185-R280 IonicContact OE1-CZ 3.13Å; E185-R280 IonicContact OE1-NH1 2.86Å; E185-R280 PolarHBondContact OE1-NH1 2.67Å; E185-R280 IonicContact OE1-NH2 2.73Å; E185-R280 PolarHBondContact OE1-NH2 2.87Å; E185-R280 IonicContact OE2-CZ 3.77Å; E185-R280 IonicContact OE2-NH1 2.8Å; E185-R280 PolarHBondContact OE2-NH1 3.16Å; Q219-R280 WeakPolarHBondContact CA-O 3.07Å; Q219-R280 HydrophobicContact CB-CB 4.28Å; Q219-R280 HydrophobicContact CB-CG 4.16Å; Q219-R280 WeakPolarHBondContact CB-O 3.47Å; Q219-R280 PolarHBondContact N-O 3.06Å; Q219-R280 VanDerWaalsContact OE1-NE 3.17Å; T220-R280 PolarHBondContact N-O 3.34Å; T220-R280 VanDerWaalsContact N-O 3.1Å; T220-R280 PolarHBondContact O-N 2.88Å; T220-R280 VanDerWaalsContact OG1-CB 3.22Å; T220-R280 WeakPolarHBondContact OG1-CB 3.34Å; T220-R280 PolarHBondContact OG1-N 2.93Å
281I91Very high79.3Confident0 Ų052.7 Ų52.70%029%0.293CS..EExtended strand (participates in β ladder)trans-118.9118.1179-68172.9000107.9Y183 V184 I216 V218 L229 L266 F279Y183-I281 CarbonylContact C-O 3.59Å; Y183-I281 WeakPolarHBondContact CA-O 3.28Å; V184-I281 PolarHBondContact N-O 3.36Å; V184-I281 PolarHBondContact O-N 3.45Å; I216-I281 HydrophobicContact CB-CG2 3.67Å; I216-I281 HydrophobicContact CD1-CG2 4.36Å; I216-I281 HydrophobicContact CG2-CG2 3.94Å; V218-I281 HydrophobicContact CG2-CG1 4.44Å; L229-I281 HydrophobicContact CD2-CD1 4.14Å; L266-I281 HydrophobicContact CD1-CD1 4.26Å; F279-I281 HydrophobicContact CD2-CD1 3.98Å; F279-I281 HydrophobicContact CD2-CG1 4.14Å; F279-I281 HydrophobicContact CE2-CD1 4.42Å
282H93.3Very high80.2Confident15 Ų1556.2 Ų56.27%0.06930%0.303CS..EExtended strand (participates in β ladder)trans-74.6142.4163.4178.1-119.7000108.3E181 G182 Y183 I216 Q217 Q219E181-H282 WeakPolarHBondContact CG-NE2 3.37Å; E181-H282 IonicContact OE1-CD2 3.87Å; E181-H282 IonicContact OE1-CE1 3.59Å; E181-H282 IonicContact OE1-NE2 2.72Å; E181-H282 PolarHBondContact OE1-NE2 2.86Å; G182-H282 WeakPolarHBondContact O-CA 3.38Å; G182-H282 PolarHBondContact O-CD2 3.25Å; G182-H282 VanDerWaalsContact O-CD2 3.27Å; Y183-H282 HydrophobicContact CD1-CB 3.95Å; Y183-H282 HydrophobicContact CE1-CB 3.69Å; Y183-H282 AromaticContact CE1-CD2 3.45Å; Y183-H282 VanDerWaalsContact CE1-CD2 3.45Å; Y183-H282 WeakPolarHBondContact CE1-CD2 3.47Å; Y183-H282 AromaticContact CE1-CG 3.88Å; Y183-H282 AromaticContact CZ-CD2 3.65Å; I216-H282 CarbonylContact C-O 3.35Å; I216-H282 VanDerWaalsContact CA-O 3.31Å; I216-H282 WeakPolarHBondContact CA-O 3.49Å; Q217-H282 HydrophobicContact CB-CB 4.43Å; Q217-H282 PolarHBondContact N-O 2.73Å; Q217-H282 PolarHBondContact O-N 3.44Å; Q219-H282 HydrophobicContact CG-CB 4.05Å
283Y93.4Very high81.4Confident2 Ų248.8 Ų48.81%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-133.2144.6171.877-88.1000110.1I177 E181 G182 V184 I206 I214 E215I177-Y283 HydrophobicContact CG2-CE1 4.08Å; I177-Y283 HydrophobicContact CG2-CE2 4.32Å; I177-Y283 WeakPolarHBondContact CG2-OH 3.43Å; E181-Y283 CarbonylContact C-O 3.33Å; E181-Y283 VanDerWaalsContact CA-O 3.3Å; E181-Y283 WeakPolarHBondContact CA-O 3.21Å; E181-Y283 WeakPolarHBondContact CG-O 3.45Å; E181-Y283 PolarHBondContact O-OH 3.37Å; G182-Y283 VanDerWaalsContact C-CD1 3.43Å; G182-Y283 PolarHBondContact N-O 2.8Å; G182-Y283 WeakPolarHBondContact O-CD1 3.25Å; G182-Y283 PolarHBondContact O-N 3.39Å; V184-Y283 HydrophobicContact CG2-CD1 4.02Å; V184-Y283 HydrophobicContact CG2-CE1 4.33Å; I206-Y283 HydrophobicContact CD1-CD1 4.14Å; I206-Y283 HydrophobicContact CD1-CD2 4.36Å; I206-Y283 HydrophobicContact CD1-CG 3.96Å; I206-Y283 HydrophobicContact CG2-CD2 3.77Å; I206-Y283 HydrophobicContact CG2-CE2 3.82Å; I206-Y283 HydrophobicContact CG2-CG 4.41Å; I214-Y283 HydrophobicContact CG2-CD2 4.47Å; E215-Y283 CarbonylContact O-C 3.51Å; E215-Y283 VanDerWaalsContact O-CA 3.26Å; E215-Y283 WeakPolarHBondContact O-CA 3.28Å
284Q93.7Very high82.9Confident75 Ų7548.9 Ų48.935%0.3528%0.278SS..EExtended strand (participates in β ladder)trans-143.4145.3176.963.4-175.5-0.800111.6E181 E215 Y286E181-Q284 HydrophobicContact CG-CB 4.09Å; E215-Q284 HydrophobicContact CB-CG 4.13Å; E215-Q284 PolarHBondContact N-O 3.05Å; E215-Q284 PolarHBondContact O-N 3.37Å; E215-Q284 PolarHBondContact OE1-NE2 2.91Å; Q284-Y286 PolarHBondContact O-N 3.04Å
285A90.4Very high84.4Confident34 Ų3456.2 Ų56.228%0.28130%0.303SS..EExtended strand (participates in β ladder)trans-73119.8173.600000110G180 V208 Y212 G213G180-A285 WeakPolarHBondContact O-CB 3.12Å; G180-A285 PolarHBondContact O-N 2.81Å; V208-A285 HydrophobicContact CB-CB 4.35Å; V208-A285 HydrophobicContact CG1-CB 4.11Å; Y212-A285 HydrophobicContact CD1-CB 4.16Å; Y212-A285 HydrophobicContact CG-CB 4.47Å; G213-A285 WeakPolarHBondContact O-CA 3.5Å
286Y88.8Confident86.1Confident46 Ų4645.2 Ų45.218%0.1826%0.264CS..EExtended strand (participates in β ladder)trans-108.3150.7169.881.8-86.9000109.6Y212 G213 E215 R258 S259 Q284 L288Y212-Y286 CarbonylContact C-O 3.46Å; Y212-Y286 VanDerWaalsContact CA-O 3.23Å; Y212-Y286 WeakPolarHBondContact CA-O 3.48Å; Y212-Y286 WeakPolarHBondContact CB-O 3.42Å; G213-Y286 VanDerWaalsContact C-CD1 3.44Å; G213-Y286 PolarHBondContact N-O 2.86Å; G213-Y286 WeakPolarHBondContact O-CD1 3.43Å; G213-Y286 PolarHBondContact O-N 2.8Å; E215-Y286 HydrophobicContact CB-CD1 3.88Å; R258-Y286 HydrophobicContact CB-CE1 3.76Å; R258-Y286 HydrophobicContact CG-CD1 4.34Å; R258-Y286 HydrophobicContact CG-CE1 3.92Å; S259-Y286 PolarHBondContact O-OH 3.4Å; S259-Y286 VanDerWaalsContact O-OH 3.05Å; Q284-Y286 PolarHBondContact O-N 3.04Å; Y286-L288 HydrophobicContact CE2-CD2 4.02Å; Y286-L288 PolarHBondContact O-N 2.81Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.36Å
287L85.1Confident87.5Confident68 Ų6845.2 Ų45.236%0.35626%0.257SS..EExtended strand (participates in β ladder)trans-72.1125.6-179.3-163.959.5000109.8Y212 H307Y212-L287 HydrophobicContact CD1-CB 4.49Å; Y212-L287 HydrophobicContact CD1-CD1 4.08Å; Y212-L287 HydrophobicContact CD2-CD1 4.4Å; Y212-L287 HydrophobicContact CE1-CB 4.38Å; Y212-L287 HydrophobicContact CE1-CD1 3.69Å; Y212-L287 HydrophobicContact CE2-CD1 4.03Å; Y212-L287 HydrophobicContact CG-CD1 4.42Å; L287-H307 HydrophobicContact CD2-CB 3.79Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.09Å; L287-H307 HydrophobicContact CG-CB 4.17Å; L287-H307 VanDerWaalsContact CG-CD2 3.45Å; L287-H307 WeakPolarHBondContact CG-CD2 2.97Å
288L86.8Confident88.5Confident12 Ų1247 Ų476%0.06326%0.259CS..  trans-79.4152.3171-77.3163.6000109.6G211 Y212 Y286 P308 P336G211-L288 WeakPolarHBondContact O-CB 3.42Å; G211-L288 PolarHBondContact O-N 2.88Å; Y212-L288 WeakPolarHBondContact O-CD1 3.19Å; Y286-L288 HydrophobicContact CE2-CD2 4.02Å; Y286-L288 PolarHBondContact O-N 2.81Å; Y286-L288 WeakPolarHBondContact OH-CD2 3.36Å; L288-P308 VanDerWaalsContact O-CD 3.28Å; L288-P308 WeakPolarHBondContact O-CD 3.4Å; L288-P336 HydrophobicContact CB-CG 3.67Å
289S88.3Confident89.2Confident55 Ų5546.9 Ų46.939%0.38526%0.259SS..  trans-121150.3176.3-38.80000109.4L306 H307S289-L306 CarbonylContact C-O 3.55Å; S289-L306 VanDerWaalsContact CA-O 3.28Å; S289-L306 WeakPolarHBondContact CA-O 3.39Å; S289-H307 PolarHBondContact OG-CD2 2.93Å; S289-H307 PolarHBondContact OG-NE2 3.21Å
290C88.6Confident89.5Confident4 Ų450.7 Ų50.73%0.02728%0.279CS..PPolyproline II helixtrans-61.1151.4160.3-74.30000110L306 C330 S337 W338C290-L306 PolarHBondContact N-O 2.83Å; C290-C330 HydrophobicContact CB-CB 3.94Å; C290-C330 WeakPolarHBondContact CB-SG 3.44Å; C290-C330 WeakPolarHBondContact SG-CA 3.47Å; C290-C330 WeakPolarHBondContact SG-CB 3.28Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 2.71Å; C290-S337 PolarHBondContact SG-N 3.19Å; C290-S337 VanDerWaalsContact SG-N 3.45Å; C290-W338 HydrophobicContact CB-CD2 4.33Å; C290-W338 HydrophobicContact CB-CH2 4.45Å; C290-W338 HydrophobicContact CB-CZ2 3.75Å
291G86.9Confident89.7Confident56 Ų5647.8 Ų47.858%0.57727%0.269SS*.PPolyproline II helixtrans-62.4142.9169.200000110.3W338G291-W338 PolarHBondContact O-NE1 3.14Å
292F89.2Confident89.8Confident127 Ų12750 Ų5056%0.55729%0.285SS*.PPolyproline II helixtrans-57.3124.9176.2-168.6-85000109.1V301 V303 L306F292-V301 HydrophobicContact CE1-CG1 3.94Å; F292-V301 HydrophobicContact CZ-CG1 4.1Å; F292-V303 HydrophobicContact CE2-CB 4.42Å; F292-V303 HydrophobicContact CE2-CG2 3.89Å; F292-V303 HydrophobicContact CZ-CG2 4.09Å; F292-L306 HydrophobicContact CD2-CD1 4.3Å; F292-L306 HydrophobicContact CD2-CD2 4.26Å
293P90.4Very high89.7Confident1 Ų151.4 Ų51.41%0.00629%0.294CS..PPolyproline II helixtrans-64.8138.8-175.925.6-32.8000110.3R295 V301 V303 A312 F314 W338 T342P293-R295 PolarHBondContact O-N 2.89Å; P293-V301 HydrophobicContact CG-CG1 4.03Å; P293-V301 HydrophobicContact CG-CG2 3.84Å; P293-V303 HydrophobicContact CG-CG2 3.93Å; P293-A312 HydrophobicContact CG-CB 3.94Å; P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.8Å; P293-F314 HydrophobicContact CG-CZ 4.3Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; P293-T342 HydrophobicContact CB-CG2 4.34Å
294P89.9Confident89.5Confident84 Ų8456 Ų5655%0.54532%0.323SS..PPolyproline II helixtrans-60140.4172.726.2-33.8000109.6T342P294-T342 HydrophobicContact CG-CG2 3.83Å
295R88.9Confident89.1Confident174 Ų17455.8 Ų55.866%0.65732%0.324SS*.PPolyproline II helixtrans-69.3134.3171.5-74.2-177.3-70.2-168.5-1.8109.2P293 D300 V301P293-R295 PolarHBondContact O-N 2.89Å; R295-D300 WeakPolarHBondContact CD-OD1 3.34Å; R295-D300 IonicContact NH1-OD1 2.78Å; R295-V301 HydrophobicContact CG-CG1 3.88Å
296P90.6Very high89Confident18 Ų1856.3 Ų56.312%0.11732%0.322CS..PPolyproline II helixtrans-64.1154174.128.8-33.9000110H298 F314P296-H298 PolarHBondContact O-N 3Å; P296-F314 HydrophobicContact CG-CD1 4.35Å
297A86.6Confident89Confident68 Ų6856.9 Ų56.956%0.56233%0.326SS*.THydrogen-bonded Turntrans-63.2135.9166.100000108.9G299 C345A297-G299 PolarHBondContact O-N 2.71Å; A297-C345 WeakPolarHBondContact O-CB 3.33Å
298H87.6Confident89.1Confident58 Ų5855.3 Ų55.327%0.26932%0.32SS..THydrogen-bonded Turntrans56.944.5-177.2-42.6-65.9000113.7P296 D317 Y320 C345 E365P296-H298 PolarHBondContact O-N 3Å; H298-D317 VanDerWaalsContact CA-OD2 3.29Å; H298-D317 WeakPolarHBondContact CA-OD2 3.28Å; H298-D317 WeakPolarHBondContact O-CB 3.46Å; H298-D317 PolarHBondContact O-N 2.89Å; H298-Y320 HydrophobicContact CB-CD1 3.72Å; H298-Y320 HydrophobicContact CB-CD2 3.77Å; H298-Y320 HydrophobicContact CB-CE1 3.61Å; H298-Y320 HydrophobicContact CB-CE2 3.66Å; H298-Y320 HydrophobicContact CB-CG 3.82Å; H298-Y320 AromaticContact CD2-CE1 3.37Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.41Å; H298-Y320 AromaticContact CD2-CZ 3.66Å; H298-Y320 AromaticContact CG-CE1 3.49Å; H298-Y320 VanDerWaalsContact CG-CE1 3.49Å; H298-Y320 AromaticContact CG-CE2 3.92Å; H298-Y320 AromaticContact CG-CZ 3.38Å; H298-Y320 AromaticContact ND1-CZ 3.83Å; H298-C345 WeakPolarHBondContact O-CB 3.33Å; H298-E365 IonicContact CD2-OE1 2.95Å; H298-E365 IonicContact CE1-OE1 3.87Å; H298-E365 PolarHBondContact CE1-OE1 2.78Å; H298-E365 IonicContact NE2-OE1 2.69Å; H298-E365 PolarHBondContact NE2-OE1 3.14Å
299G89.6Confident89.1Confident14 Ų1457.6 Ų57.614%0.14435%0.346CS..EExtended strand (participates in β ladder)trans-172.8-176.2173.600000113.4A297 H315 D317A297-G299 PolarHBondContact O-N 2.71Å; G299-H315 CarbonylContact C-O 3.58Å; G299-H315 WeakPolarHBondContact CA-O 3.29Å; G299-D317 PolarHBondContact N-OD2 3.22Å
300D91.8Very high89.2Confident84 Ų8455.2 Ų55.245%0.44933%0.331SS..EExtended strand (participates in β ladder)trans-139.6170.3-179.9-162.117.1000111.3R295 H315R295-D300 WeakPolarHBondContact CD-OD1 3.34Å; R295-D300 IonicContact NH1-OD1 2.78Å; D300-H315 PolarHBondContact N-O 2.86Å; D300-H315 PolarHBondContact O-N 2.74Å
301V93.6Very high89.4Confident9 Ų957.2 Ų57.26%0.05534%0.343CS..EExtended strand (participates in β ladder)trans-130.4118.4179.967.60000111.8F292 P293 R295 V303 A312 T313 F314F292-V301 HydrophobicContact CE1-CG1 3.94Å; F292-V301 HydrophobicContact CZ-CG1 4.1Å; P293-V301 HydrophobicContact CG-CG1 4.03Å; P293-V301 HydrophobicContact CG-CG2 3.84Å; R295-V301 HydrophobicContact CG-CG1 3.88Å; V301-V303 HydrophobicContact CG1-CG2 4.38Å; V301-V303 HydrophobicContact CG2-CG2 4.13Å; V301-A312 HydrophobicContact CG2-CB 3.93Å; V301-T313 CarbonylContact C-O 3.45Å; V301-T313 WeakPolarHBondContact CA-O 3.33Å; V301-F314 HydrophobicContact CB-CD1 3.94Å; V301-F314 HydrophobicContact CB-CE1 3.93Å; V301-F314 HydrophobicContact CG2-CD1 3.74Å; V301-F314 HydrophobicContact CG2-CD2 4.23Å; V301-F314 HydrophobicContact CG2-CE1 3.54Å; V301-F314 HydrophobicContact CG2-CE2 4.03Å; V301-F314 HydrophobicContact CG2-CG 4.09Å; V301-F314 HydrophobicContact CG2-CZ 3.7Å
302S92.9Very high89.7Confident47 Ų4754.6 Ų54.633%0.32932%0.315SS..EExtended strand (participates in β ladder)trans-89.7112.8173.362.60000109.6T313 H315S302-T313 PolarHBondContact N-O 3.37Å; S302-T313 PolarHBondContact O-N 2.94Å; S302-T313 PolarHBondContact O-OG1 2.96Å; S302-T313 WeakPolarHBondContact OG-CB 3.4Å; S302-T313 PolarHBondContact OG-O 3.12Å; S302-T313 PolarHBondContact OG-OG1 3.05Å; S302-H315 PolarHBondContact OG-NE2 3.39Å
303V90.9Very high89.9Confident44 Ų4450 Ų5027%0.26730%0.298SS..EExtended strand (participates in β ladder)trans-104.9124.3-178.6-177.40000109.6F292 P293 V301 L306 A312F292-V303 HydrophobicContact CE2-CB 4.42Å; F292-V303 HydrophobicContact CE2-CG2 3.89Å; F292-V303 HydrophobicContact CZ-CG2 4.09Å; P293-V303 HydrophobicContact CG-CG2 3.93Å; V301-V303 HydrophobicContact CG1-CG2 4.38Å; V301-V303 HydrophobicContact CG2-CG2 4.13Å; V303-L306 HydrophobicContact CG1-CD2 3.71Å; V303-L306 HydrophobicContact CG1-CG 4.01Å; V303-A312 HydrophobicContact CG2-CB 4.12Å
304T88.8Confident90.1Very high99 Ų9950 Ų5061%0.60730%0.298SS*.SBendtrans-83.6-43.7178.863.90000111.8T311T304-T311 WeakPolarHBondContact CG2-OG1 3.32Å; T304-T311 PolarHBondContact N-O 3.45Å; T304-T311 PolarHBondContact OG1-N 2.77Å; T304-T311 PolarHBondContact OG1-O 3.1Å; T304-T311 PolarHBondContact OG1-OG1 3.07Å
305D86.2Confident90.2Very high69 Ų6950.1 Ų50.137%0.36929%0.291SS..  trans-156.1150.3173-165.5-1.1000109.1H307 G310D305-H307 VanDerWaalsContact CG-ND1 3.29Å; D305-H307 IonicContact OD1-CE1 3.96Å; D305-H307 PolarHBondContact OD1-CE1 2.8Å; D305-H307 IonicContact OD1-CG 3.2Å; D305-H307 PolarHBondContact OD1-N 2.88Å; D305-H307 VanDerWaalsContact OD1-N 3.17Å; D305-H307 IonicContact OD1-ND1 3.87Å; D305-H307 PolarHBondContact OD1-ND1 2.91Å; D305-H307 IonicContact OD2-CG 3.66Å; D305-H307 IonicContact OD2-ND1 3.77Å; D305-H307 PolarHBondContact OD2-ND1 3.2Å; D305-H307 VanDerWaalsContact OD2-ND1 3.08Å; D305-G310 CarbonylContact O-C 3.5Å; D305-G310 WeakPolarHBondContact O-CA 3.38Å
306L88.3Confident90.3Very high45 Ų4543.7 Ų43.724%0.23627%0.272CS..SBendtrans-96.4-9.6174.7-66.1170000112.6S289 C290 F292 V303 C330 W338S289-L306 CarbonylContact C-O 3.55Å; S289-L306 VanDerWaalsContact CA-O 3.28Å; S289-L306 WeakPolarHBondContact CA-O 3.39Å; C290-L306 PolarHBondContact N-O 2.83Å; F292-L306 HydrophobicContact CD2-CD1 4.3Å; F292-L306 HydrophobicContact CD2-CD2 4.26Å; V303-L306 HydrophobicContact CG1-CD2 3.71Å; V303-L306 HydrophobicContact CG1-CG 4.01Å; L306-C330 PolarHBondContact O-SG 3.42Å; L306-W338 HydrophobicContact CD2-CH2 4.44Å; L306-W338 HydrophobicContact CD2-CZ2 3.92Å
307H88.6Confident90.2Very high58 Ų5847 Ų4727%0.26929%0.289SS..SBendtrans-74.7161.9176.8-55110.7000112.3L287 S289 D305 G309 G310 C330L287-H307 HydrophobicContact CD2-CB 3.79Å; L287-H307 WeakPolarHBondContact CD2-CD2 3.09Å; L287-H307 HydrophobicContact CG-CB 4.17Å; L287-H307 VanDerWaalsContact CG-CD2 3.45Å; L287-H307 WeakPolarHBondContact CG-CD2 2.97Å; S289-H307 PolarHBondContact OG-CD2 2.93Å; S289-H307 PolarHBondContact OG-NE2 3.21Å; D305-H307 VanDerWaalsContact CG-ND1 3.29Å; D305-H307 IonicContact OD1-CE1 3.96Å; D305-H307 PolarHBondContact OD1-CE1 2.8Å; D305-H307 IonicContact OD1-CG 3.2Å; D305-H307 PolarHBondContact OD1-N 2.88Å; D305-H307 VanDerWaalsContact OD1-N 3.17Å; D305-H307 IonicContact OD1-ND1 3.87Å; D305-H307 PolarHBondContact OD1-ND1 2.91Å; D305-H307 IonicContact OD2-CG 3.66Å; D305-H307 IonicContact OD2-ND1 3.77Å; D305-H307 PolarHBondContact OD2-ND1 3.2Å; D305-H307 VanDerWaalsContact OD2-ND1 3.08Å; H307-G309 PolarHBondContact O-N 3.3Å; H307-G310 WeakPolarHBondContact O-CA 3.45Å; H307-G310 PolarHBondContact O-N 3.18Å; H307-C330 WeakPolarHBondContact O-CB 3.37Å
308P87.4Confident90.1Very high36 Ų3646.7 Ų46.723%0.23428%0.282CS..THydrogen-bonded Turntrans-55.1125.3179.1-2835.3000113.1L288 C330 N332 P336L288-P308 VanDerWaalsContact O-CD 3.28Å; L288-P308 WeakPolarHBondContact O-CD 3.4Å; P308-C330 CarbonylContact C-O 3.52Å; P308-C330 WeakPolarHBondContact CA-O 3.43Å; P308-N332 HydrophobicContact CB-CB 3.94Å; P308-P336 HydrophobicContact CG-CB 4.26Å; P308-P336 HydrophobicContact CG-CG 3.91Å
309G86.1Confident89.7Confident59 Ų5944.9 Ų44.961%0.60828%0.279SS*.THydrogen-bonded Turntrans94.9-12-170.800000114.8H307 C330H307-G309 PolarHBondContact O-N 3.3Å; G309-C330 PolarHBondContact N-O 2.04Å
310G89.7Confident89.6Confident6 Ų645.9 Ų45.96%0.06228%0.279CS..  trans-70.3157.8170.400000113D305 H307 C330D305-G310 CarbonylContact O-C 3.5Å; D305-G310 WeakPolarHBondContact O-CA 3.38Å; H307-G310 WeakPolarHBondContact O-CA 3.45Å; H307-G310 PolarHBondContact O-N 3.18Å; G310-C330 PolarHBondContact O-N 3.13Å
311T93.7Very high89.3Confident46 Ų4648 Ų4828%0.28229%0.286SS..EExtended strand (participates in β ladder)trans-123144.7-173.957.10000112.9T304 L328 I329T304-T311 WeakPolarHBondContact CG2-OG1 3.32Å; T304-T311 PolarHBondContact N-O 3.45Å; T304-T311 PolarHBondContact OG1-N 2.77Å; T304-T311 PolarHBondContact OG1-O 3.1Å; T304-T311 PolarHBondContact OG1-OG1 3.07Å; T311-L328 CarbonylContact C-O 3.33Å; T311-L328 WeakPolarHBondContact CA-O 3.43Å; T311-I329 HydrophobicContact CG2-CG1 4.33Å
312A92.9Very high89.1Confident0 Ų050.2 Ų50.20%030%0.298CS..EExtended strand (participates in β ladder)trans-116.7114.9168.600000109.6P293 V301 V303 F314 T327 L328 W338P293-A312 HydrophobicContact CG-CB 3.94Å; V301-A312 HydrophobicContact CG2-CB 3.93Å; V303-A312 HydrophobicContact CG2-CB 4.12Å; A312-F314 HydrophobicContact CB-CE2 4Å; A312-F314 HydrophobicContact CB-CZ 4.37Å; A312-T327 WeakPolarHBondContact O-CA 3.45Å; A312-L328 PolarHBondContact N-O 2.8Å; A312-L328 PolarHBondContact O-N 2.91Å; A312-W338 HydrophobicContact CB-CE3 4.39Å; A312-W338 HydrophobicContact CB-CH2 3.74Å; A312-W338 HydrophobicContact CB-CZ2 4.26Å; A312-W338 HydrophobicContact CB-CZ3 3.8Å
313T94.1Very high89Confident31 Ų3153.2 Ų53.219%0.1931%0.306CS..EExtended strand (participates in β ladder)trans-96.2125.2177.33.40000109.6V301 S302 E326 T327V301-T313 CarbonylContact C-O 3.45Å; V301-T313 WeakPolarHBondContact CA-O 3.33Å; S302-T313 PolarHBondContact N-O 3.37Å; S302-T313 PolarHBondContact O-N 2.94Å; S302-T313 PolarHBondContact O-OG1 2.96Å; S302-T313 WeakPolarHBondContact OG-CB 3.4Å; S302-T313 PolarHBondContact OG-O 3.12Å; S302-T313 PolarHBondContact OG-OG1 3.05Å; T313-E326 WeakPolarHBondContact CA-O 3.44Å; T313-T327 HydrophobicContact CG2-CG2 3.67Å
314F94.3Very high88.8Confident2 Ų254.1 Ų54.11%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-99.7138.6-178.2-66.6-95.7000111.1P293 P296 V301 A312 L322 E326 L328 T342 P343P293-F314 HydrophobicContact CB-CE1 4.27Å; P293-F314 HydrophobicContact CB-CZ 3.8Å; P293-F314 HydrophobicContact CG-CZ 4.3Å; P296-F314 HydrophobicContact CG-CD1 4.35Å; V301-F314 HydrophobicContact CB-CD1 3.94Å; V301-F314 HydrophobicContact CB-CE1 3.93Å; V301-F314 HydrophobicContact CG2-CD1 3.74Å; V301-F314 HydrophobicContact CG2-CD2 4.23Å; V301-F314 HydrophobicContact CG2-CE1 3.54Å; V301-F314 HydrophobicContact CG2-CE2 4.03Å; V301-F314 HydrophobicContact CG2-CG 4.09Å; V301-F314 HydrophobicContact CG2-CZ 3.7Å; A312-F314 HydrophobicContact CB-CE2 4Å; A312-F314 HydrophobicContact CB-CZ 4.37Å; F314-L322 HydrophobicContact CB-CD1 4.11Å; F314-L322 HydrophobicContact CB-CD2 4.3Å; F314-E326 PolarHBondContact N-O 2.85Å; F314-L328 HydrophobicContact CD2-CG 4.47Å; F314-L328 HydrophobicContact CE2-CB 4.11Å; F314-L328 HydrophobicContact CE2-CD1 3.68Å; F314-L328 HydrophobicContact CE2-CG 3.71Å; F314-L328 HydrophobicContact CZ-CD1 3.94Å; F314-L328 HydrophobicContact CZ-CG 4.47Å; F314-T342 HydrophobicContact CE1-CG2 4.05Å; F314-T342 HydrophobicContact CZ-CG2 3.89Å; F314-P343 HydrophobicContact CB-CG 3.61Å; F314-P343 HydrophobicContact CD1-CG 3.81Å; F314-P343 HydrophobicContact CD2-CG 3.78Å; F314-P343 HydrophobicContact CE1-CG 4.44Å; F314-P343 HydrophobicContact CE2-CG 4.44Å; F314-P343 HydrophobicContact CG-CG 3.44Å; F314-P343 VanDerWaalsContact CG-CG 3.44Å
315H92.4Very high88.9Confident86 Ų8653.7 Ų53.740%0.39832%0.316SS..EExtended strand (participates in β ladder)trans-133.5135.2-177.3-52-40.8000109.7G299 D300 S302G299-H315 CarbonylContact C-O 3.58Å; G299-H315 WeakPolarHBondContact CA-O 3.29Å; D300-H315 PolarHBondContact N-O 2.86Å; D300-H315 PolarHBondContact O-N 2.74Å; S302-H315 PolarHBondContact OG-NE2 3.39Å
316C90.9Very high89.2Confident38 Ų3856 Ų5626%0.25733%0.325SS..EExtended strand (participates in β ladder)trans-95.3151.4176.8-61.50000112.1L322 C345C316-L322 VanDerWaalsContact SG-CA 3.57Å; C316-L322 WeakPolarHBondContact SG-CD1 3.28Å; C316-C345 WeakPolarHBondContact CA-SG 3.03Å; C316-C345 HydrophobicContact CB-CB 3.75Å; C316-C345 WeakPolarHBondContact CB-SG 3.37Å; C316-C345 VanDerWaalsContact SG-CA 3.56Å; C316-C345 WeakPolarHBondContact SG-CB 3.49Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.24Å
317D88.1Confident89.4Confident87 Ų8756.7 Ų56.747%0.46533%0.331SS..PPolyproline II helixtrans-64.6156170.4-73.2-40.2000111.3H298 G299 G319 Y320H298-D317 VanDerWaalsContact CA-OD2 3.29Å; H298-D317 WeakPolarHBondContact CA-OD2 3.28Å; H298-D317 WeakPolarHBondContact O-CB 3.46Å; H298-D317 PolarHBondContact O-N 2.89Å; G299-D317 PolarHBondContact N-OD2 3.22Å; D317-G319 PolarHBondContact O-N 2.79Å; D317-Y320 HydrophobicContact CB-CD2 4.18Å; D317-Y320 PolarHBondContact O-N 3.15Å
318S83.9Confident89.7Confident62 Ų6253.9 Ų53.943%0.43432%0.318SS..THydrogen-bonded Turntrans-50.1125.1179.960.80000112R360S318-R360 WeakPolarHBondContact O-CD 3.07Å; S318-R360 WeakPolarHBondContact OG-CB 3.03Å; S318-R360 PolarHBondContact OG-NE 3.43Å
319G79.8Confident89.9Confident20 Ų2055.6 Ų55.621%0.20632%0.324CS..THydrogen-bonded Turntrans95.4-14.8179.600000115.1D317 S348 R360 V362D317-G319 PolarHBondContact O-N 2.79Å; G319-S348 PolarHBondContact O-OG 3.26Å; G319-R360 VanDerWaalsContact CA-O 3.25Å; G319-R360 WeakPolarHBondContact CA-O 3.28Å; G319-V362 WeakPolarHBondContact O-CG2 3.44Å
320Y86.5Confident90.2Very high35 Ų3552.9 Ų52.914%0.13730%0.296CS..EExtended strand (participates in β ladder)trans-95.6148.9171.1-62.1-99.8000110.6H298 D317 M346 A347 V362H298-Y320 HydrophobicContact CB-CD1 3.72Å; H298-Y320 HydrophobicContact CB-CD2 3.77Å; H298-Y320 HydrophobicContact CB-CE1 3.61Å; H298-Y320 HydrophobicContact CB-CE2 3.66Å; H298-Y320 HydrophobicContact CB-CG 3.82Å; H298-Y320 AromaticContact CD2-CE1 3.37Å; H298-Y320 WeakPolarHBondContact CD2-CE1 3.41Å; H298-Y320 AromaticContact CD2-CZ 3.66Å; H298-Y320 AromaticContact CG-CE1 3.49Å; H298-Y320 VanDerWaalsContact CG-CE1 3.49Å; H298-Y320 AromaticContact CG-CE2 3.92Å; H298-Y320 AromaticContact CG-CZ 3.38Å; H298-Y320 AromaticContact ND1-CZ 3.83Å; D317-Y320 HydrophobicContact CB-CD2 4.18Å; D317-Y320 PolarHBondContact O-N 3.15Å; Y320-M346 CarbonylContact C-O 3.53Å; Y320-M346 WeakPolarHBondContact CA-O 3.44Å; Y320-A347 HydrophobicContact CD1-CB 4.17Å; Y320-A347 HydrophobicContact CE1-CB 4.04Å; Y320-V362 HydrophobicContact CD2-CG2 4.01Å; Y320-V362 HydrophobicContact CE1-CG2 4.35Å; Y320-V362 HydrophobicContact CE2-CB 4.29Å; Y320-V362 HydrophobicContact CE2-CG1 3.96Å; Y320-V362 HydrophobicContact CE2-CG2 3.76Å; Y320-V362 HydrophobicContact CG-CG2 4.4Å
321Q86.7Confident90.1Very high128 Ų12856.6 Ų56.660%0.59831%0.314SS*.EExtended strand (participates in β ladder)trans-117.9142.6176.3-63.2-174.86.900109.9M346Q321-M346 PolarHBondContact N-O 3.1Å; Q321-M346 PolarHBondContact O-N 2.96Å
322L89.1Confident89.8Confident57 Ų5759.1 Ų59.130%0.29833%0.326SS..EExtended strand (participates in β ladder)trans-78.1127.1-177.7-163.576.6000111F314 C316 E326 P343F314-L322 HydrophobicContact CB-CD1 4.11Å; F314-L322 HydrophobicContact CB-CD2 4.3Å; C316-L322 VanDerWaalsContact SG-CA 3.57Å; C316-L322 WeakPolarHBondContact SG-CD1 3.28Å; L322-E326 HydrophobicContact CD2-CB 3.96Å; L322-E326 HydrophobicContact CD2-CG 4.18Å; L322-P343 HydrophobicContact CD1-CB 3.72Å; L322-P343 HydrophobicContact CD1-CG 3.79Å; L322-P343 HydrophobicContact CD2-CB 4.19Å; L322-P343 HydrophobicContact CD2-CG 4.21Å; L322-P343 HydrophobicContact CG-CB 3.86Å; L322-P343 HydrophobicContact CG-CG 4.25Å
323Q89.9Confident89.1Confident109 Ų10960.1 Ų60.151%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-111.9107.4170.8-179.7-176.357.300109.4P343 S344 M346Q323-P343 WeakPolarHBondContact O-CA 3.25Å; Q323-P343 WeakPolarHBondContact O-CB 3.33Å; Q323-S344 PolarHBondContact N-O 2.99Å; Q323-S344 PolarHBondContact O-N 2.78Å; Q323-S344 PolarHBondContact OE1-OG 3.02Å; Q323-M346 HydrophobicContact CB-CE 4.16Å; Q323-M346 VanDerWaalsContact CD-CE 3.45Å; Q323-M346 HydrophobicContact CG-CE 4.33Å; Q323-M346 PolarHBondContact OE1-SD 3.31Å
324G88.1Confident88.3Confident64 Ų6461.5 Ų61.566%0.6635%0.345SS*.SBendtrans139.9-154.1179.300000111.4
325E91.3Very high87.8Confident89 Ų8968 Ų6842%0.41637%0.369SS..  trans-90.1127.8174-169.1171.2-147.400110T327 L328 N339 P343E325-T327 VanDerWaalsContact C-N 3.26Å; E325-T327 PolarHBondContact O-N 2.85Å; E325-L328 HydrophobicContact CB-CD2 4.17Å; E325-L328 HydrophobicContact CG-CD2 4.5Å; E325-L328 WeakPolarHBondContact OE2-CD2 3.26Å; E325-N339 PolarHBondContact OE2-ND2 3.28Å; E325-P343 WeakPolarHBondContact O-CG 3.5Å
326E92.2Very high87.4Confident118 Ų11864.2 Ų64.255%0.55135%0.352SS*.SBendtrans-65.9-29.1-179.8-172.9-179176.300112.8T313 F314 L322T313-E326 WeakPolarHBondContact CA-O 3.44Å; F314-E326 PolarHBondContact N-O 2.85Å; L322-E326 HydrophobicContact CD2-CB 3.96Å; L322-E326 HydrophobicContact CD2-CG 4.18Å
327T93Very high87.3Confident59 Ų5965.7 Ų65.736%0.36236%0.363SS..EExtended strand (participates in β ladder)trans-131.1107.3-172.365.40000111A312 T313 E325A312-T327 WeakPolarHBondContact O-CA 3.45Å; T313-T327 HydrophobicContact CG2-CG2 3.67Å; E325-T327 VanDerWaalsContact C-N 3.26Å; E325-T327 PolarHBondContact O-N 2.85Å
328L93.4Very high87.5Confident0 Ų063.3 Ų63.30%035%0.348CS..EExtended strand (participates in β ladder)trans-89.4144.6170.5-61.2-178000110.7T311 A312 F314 E325 W338 N339 T342T311-L328 CarbonylContact C-O 3.33Å; T311-L328 WeakPolarHBondContact CA-O 3.43Å; A312-L328 PolarHBondContact N-O 2.8Å; A312-L328 PolarHBondContact O-N 2.91Å; F314-L328 HydrophobicContact CD2-CG 4.47Å; F314-L328 HydrophobicContact CE2-CB 4.11Å; F314-L328 HydrophobicContact CE2-CD1 3.68Å; F314-L328 HydrophobicContact CE2-CG 3.71Å; F314-L328 HydrophobicContact CZ-CD1 3.94Å; F314-L328 HydrophobicContact CZ-CG 4.47Å; E325-L328 HydrophobicContact CB-CD2 4.17Å; E325-L328 HydrophobicContact CG-CD2 4.5Å; E325-L328 WeakPolarHBondContact OE2-CD2 3.26Å; L328-W338 HydrophobicContact CB-CB 4.36Å; L328-W338 HydrophobicContact CB-CD2 4.3Å; L328-W338 HydrophobicContact CB-CE3 3.75Å; L328-W338 HydrophobicContact CB-CZ3 4.5Å; L328-W338 HydrophobicContact CD1-CB 4.19Å; L328-W338 HydrophobicContact CD1-CG 4.5Å; L328-W338 WeakPolarHBondContact O-CZ3 3.45Å; L328-N339 VanDerWaalsContact CA-OD1 3.26Å; L328-N339 WeakPolarHBondContact CA-OD1 3.21Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.1Å; L328-T342 HydrophobicContact CD1-CG2 4.34Å
329I92.6Very high87.9Confident72 Ų7263.3 Ų63.337%0.36934%0.342SS..EExtended strand (participates in β ladder)trans-115.6130.7-179.3-51.2-179.8000109.1T311 L331 W338 N339T311-I329 HydrophobicContact CG2-CG1 4.33Å; I329-L331 PolarHBondContact O-N 2.81Å; I329-W338 VanDerWaalsContact C-CE3 3.47Å; I329-N339 PolarHBondContact N-OD1 3.47Å; I329-N339 PolarHBondContact O-N 3.15Å; I329-N339 VanDerWaalsContact O-N 3.15Å; I329-N339 PolarHBondContact O-OD1 3.21Å
330C91.1Very high88.3Confident2 Ų264 Ų641%0.01435%0.35CS..EExtended strand (participates in β ladder)trans-72.6109.4176.2-1780000109.9C290 L306 H307 P308 G309 G310 W338C290-C330 HydrophobicContact CB-CB 3.94Å; C290-C330 WeakPolarHBondContact CB-SG 3.44Å; C290-C330 WeakPolarHBondContact SG-CA 3.47Å; C290-C330 WeakPolarHBondContact SG-CB 3.28Å; C290-C330 CovalentContact SG-SG 2.04Å; C290-C330 PolarHBondContact SG-SG 2.71Å; L306-C330 PolarHBondContact O-SG 3.42Å; H307-C330 WeakPolarHBondContact O-CB 3.37Å; P308-C330 CarbonylContact C-O 3.52Å; P308-C330 WeakPolarHBondContact CA-O 3.43Å; G309-C330 PolarHBondContact N-O 2.04Å; G310-C330 PolarHBondContact O-N 3.13Å; C330-W338 HydrophobicContact CB-CE3 4.16Å; C330-W338 HydrophobicContact CB-CH2 4.08Å; C330-W338 HydrophobicContact CB-CZ3 3.81Å
331L89.4Confident88.5Confident84 Ų8471 Ų7144%0.4438%0.384SS..EExtended strand (participates in β ladder)trans-79144.1-177.7-61.8-175000112I329 P336 S337 N339I329-L331 PolarHBondContact O-N 2.81Å; L331-P336 WeakPolarHBondContact O-CA 3.45Å; L331-S337 WeakPolarHBondContact CB-O 3.41Å; L331-S337 PolarHBondContact N-O 3.26Å; L331-N339 HydrophobicContact CD1-CB 3.84Å; L331-N339 HydrophobicContact CD2-CB 4.01Å; L331-N339 HydrophobicContact CG-CB 3.84Å
332N85.4Confident88.5Confident98 Ų9868 Ų6852%0.52437%0.374SS..  trans-77.7130173.5-167.1-19.8000110.8P210 G211 P308P210-N332 WeakPolarHBondContact CA-OD1 3.2Å; P210-N332 WeakPolarHBondContact CB-OD1 3.36Å; P210-N332 PolarHBondContact O-ND2 3.44Å; P210-N332 VanDerWaalsContact O-ND2 3.08Å; P210-N332 PolarHBondContact O-OD1 2.89Å; P210-N332 VanDerWaalsContact O-OD1 3.12Å; G211-N332 WeakPolarHBondContact CA-OD1 3.12Å; G211-N332 PolarHBondContact N-OD1 2.78Å; P308-N332 HydrophobicContact CB-CB 3.94Å
333G80Confident88.7Confident22 Ų2265.5 Ų65.523%0.22736%0.362CS..SBendtrans-161.3-170.5-179.800000113.3G211 R335G211-G333 PolarHBondContact N-O 2.89Å; G211-G333 VanDerWaalsContact N-O 3.16Å; G333-R335 PolarHBondContact O-N 3.39Å
334T76.9Confident88.7Confident59 Ų5962.6 Ų62.636%0.36235%0.353SS..SBendtrans-66.2-32.1172.658.20000111.7G235 T261 N262G235-T334 WeakPolarHBondContact O-CB 3.4Å; G235-T334 PolarHBondContact O-OG1 2.89Å; T261-T334 CarbonylContact C-O 3.57Å; T261-T334 WeakPolarHBondContact CA-O 2.9Å; T261-T334 WeakPolarHBondContact CB-O 3.4Å; N262-T334 PolarHBondContact N-O 3.47Å; N262-T334 VanDerWaalsContact OD1-CA 3.29Å; N262-T334 WeakPolarHBondContact OD1-CA 3.35Å; N262-T334 WeakPolarHBondContact OD1-CB 3.35Å; N262-T334 WeakPolarHBondContact OD1-CG2 3.28Å
335R82.5Confident88.8Confident138 Ų13860.1 Ų60.152%0.52133%0.326SS..SBendtrans-130.3126.8159.8169174.8-66.1-1620.4106.6P260 T261 G333P260-R335 PolarHBondContact O-NE 2.96Å; P260-R335 VanDerWaalsContact O-NE 3.1Å; P260-R335 PolarHBondContact O-NH2 2.83Å; P260-R335 VanDerWaalsContact O-NH2 3.07Å; T261-R335 HydrophobicContact CG2-CB 4.47Å; G333-R335 PolarHBondContact O-N 3.39Å
336P84.6Confident88.6Confident8 Ų860.3 Ų60.35%0.05233%0.328CS..  trans-61.6144.5174.4-24.835.6000112.6L288 P308 L331L288-P336 HydrophobicContact CB-CG 3.67Å; P308-P336 HydrophobicContact CG-CB 4.26Å; P308-P336 HydrophobicContact CG-CG 3.91Å; L331-P336 WeakPolarHBondContact O-CA 3.45Å
337S89.3Confident88.2Confident68 Ų6855.5 Ų55.548%0.47631%0.308SS..EExtended strand (participates in β ladder)trans-146.7156.4175.165.20000110.2C290 L331C290-S337 PolarHBondContact SG-N 3.19Å; C290-S337 VanDerWaalsContact SG-N 3.45Å; L331-S337 WeakPolarHBondContact CB-O 3.41Å; L331-S337 PolarHBondContact N-O 3.26Å
338W91.3Very high87.4Confident38 Ų3854.1 Ų54.114%0.14430%0.301CS..EExtended strand (participates in β ladder)trans-62.6155.1169.2-59.4106.7000110.9C290 G291 P293 L306 A312 L328 I329 C330 G340C290-W338 HydrophobicContact CB-CD2 4.33Å; C290-W338 HydrophobicContact CB-CH2 4.45Å; C290-W338 HydrophobicContact CB-CZ2 3.75Å; G291-W338 PolarHBondContact O-NE1 3.14Å; P293-W338 HydrophobicContact CG-CZ2 4.31Å; L306-W338 HydrophobicContact CD2-CH2 4.44Å; L306-W338 HydrophobicContact CD2-CZ2 3.92Å; A312-W338 HydrophobicContact CB-CE3 4.39Å; A312-W338 HydrophobicContact CB-CH2 3.74Å; A312-W338 HydrophobicContact CB-CZ2 4.26Å; A312-W338 HydrophobicContact CB-CZ3 3.8Å; L328-W338 HydrophobicContact CB-CB 4.36Å; L328-W338 HydrophobicContact CB-CD2 4.3Å; L328-W338 HydrophobicContact CB-CE3 3.75Å; L328-W338 HydrophobicContact CB-CZ3 4.5Å; L328-W338 HydrophobicContact CD1-CB 4.19Å; L328-W338 HydrophobicContact CD1-CG 4.5Å; L328-W338 WeakPolarHBondContact O-CZ3 3.45Å; I329-W338 VanDerWaalsContact C-CE3 3.47Å; C330-W338 HydrophobicContact CB-CE3 4.16Å; C330-W338 HydrophobicContact CB-CH2 4.08Å; C330-W338 HydrophobicContact CB-CZ3 3.81Å; W338-G340 VanDerWaalsContact C-N 3.33Å
339N92.6Very high86.8Confident61 Ų6156.7 Ų56.733%0.32632%0.318SS..SBendtrans-75.4-19.2-178.467.4-60.6000114.1E325 L328 I329 L331E325-N339 PolarHBondContact OE2-ND2 3.28Å; L328-N339 VanDerWaalsContact CA-OD1 3.26Å; L328-N339 WeakPolarHBondContact CA-OD1 3.21Å; L328-N339 WeakPolarHBondContact CD2-OD1 3.1Å; I329-N339 PolarHBondContact N-OD1 3.47Å; I329-N339 PolarHBondContact O-N 3.15Å; I329-N339 VanDerWaalsContact O-N 3.15Å; I329-N339 PolarHBondContact O-OD1 3.21Å; L331-N339 HydrophobicContact CD1-CB 3.84Å; L331-N339 HydrophobicContact CD2-CB 4.01Å; L331-N339 HydrophobicContact CG-CB 3.84Å
340G88.6Confident86.4Confident35 Ų3554 Ų5436%0.36131%0.308SS..SBendtrans-146.7-179.2-17800000112.1W338W338-G340 VanDerWaalsContact C-N 3.33Å
341E90.2Very high86.2Confident182 Ų18255.8 Ų55.885%0.8533%0.327SS*.PPolyproline II helixtrans-80.5154.4173.7-62.5-179.4166.500110.4
342T87.9Confident86.3Confident64 Ų6455.4 Ų55.439%0.39333%0.328SS..PPolyproline II helixtrans-68.5130.6179.646.70000111.4P293 P294 F314 L328P293-T342 HydrophobicContact CB-CG2 4.34Å; P294-T342 HydrophobicContact CG-CG2 3.83Å; F314-T342 HydrophobicContact CE1-CG2 4.05Å; F314-T342 HydrophobicContact CZ-CG2 3.89Å; L328-T342 HydrophobicContact CD1-CG2 4.34Å
343P92.4Very high86.6Confident6 Ų653.1 Ų53.14%0.03932%0.315CS..PPolyproline II helixtrans-66.6156.4-179.930.8-38.3000112F314 L322 Q323 E325F314-P343 HydrophobicContact CB-CG 3.61Å; F314-P343 HydrophobicContact CD1-CG 3.81Å; F314-P343 HydrophobicContact CD2-CG 3.78Å; F314-P343 HydrophobicContact CE1-CG 4.44Å; F314-P343 HydrophobicContact CE2-CG 4.44Å; F314-P343 HydrophobicContact CG-CG 3.44Å; F314-P343 VanDerWaalsContact CG-CG 3.44Å; L322-P343 HydrophobicContact CD1-CB 3.72Å; L322-P343 HydrophobicContact CD1-CG 3.79Å; L322-P343 HydrophobicContact CD2-CB 4.19Å; L322-P343 HydrophobicContact CD2-CG 4.21Å; L322-P343 HydrophobicContact CG-CB 3.86Å; L322-P343 HydrophobicContact CG-CG 4.25Å; Q323-P343 WeakPolarHBondContact O-CA 3.25Å; Q323-P343 WeakPolarHBondContact O-CB 3.33Å; E325-P343 WeakPolarHBondContact O-CG 3.5Å
344S90.7Very high87Confident48 Ų4858 Ų5834%0.33633%0.332SS..EExtended strand (participates in β ladder)trans-101.9149.6173.858.30000111.2Q323Q323-S344 PolarHBondContact N-O 2.99Å; Q323-S344 PolarHBondContact O-N 2.78Å; Q323-S344 PolarHBondContact OE1-OG 3.02Å
345C90Very high87.4Confident12 Ų1261 Ų618%0.08135%0.346CS..EExtended strand (participates in β ladder)trans-102.7114.9170.3-69.60000108.8A297 H298 C316A297-C345 WeakPolarHBondContact O-CB 3.33Å; H298-C345 WeakPolarHBondContact O-CB 3.33Å; C316-C345 WeakPolarHBondContact CA-SG 3.03Å; C316-C345 HydrophobicContact CB-CB 3.75Å; C316-C345 WeakPolarHBondContact CB-SG 3.37Å; C316-C345 VanDerWaalsContact SG-CA 3.56Å; C316-C345 WeakPolarHBondContact SG-CB 3.49Å; C316-C345 CovalentContact SG-SG 2.04Å; C316-C345 PolarHBondContact SG-SG 3.24Å
346M85.8Confident87.6Confident93 Ų9354.7 Ų54.746%0.45832%0.323SS..EExtended strand (participates in β ladder)trans-112.6138.5-177.3-64.1-159.3-54.700111.7Y320 Q321 Q323 S348Y320-M346 CarbonylContact C-O 3.53Å; Y320-M346 WeakPolarHBondContact CA-O 3.44Å; Q321-M346 PolarHBondContact N-O 3.1Å; Q321-M346 PolarHBondContact O-N 2.96Å; Q323-M346 HydrophobicContact CB-CE 4.16Å; Q323-M346 VanDerWaalsContact CD-CE 3.45Å; Q323-M346 HydrophobicContact CG-CE 4.33Å; Q323-M346 PolarHBondContact OE1-SD 3.31Å; M346-S348 PolarHBondContact O-N 3.08Å
347A84.3Confident87.5Confident16 Ų1658.7 Ų58.713%0.13235%0.347CS..EExtended strand (participates in β ladder)trans-65.4131174.500000111Y320 C349 V362 S363Y320-A347 HydrophobicContact CD1-CB 4.17Å; Y320-A347 HydrophobicContact CE1-CB 4.04Å; A347-C349 PolarHBondContact O-N 2.72Å; A347-V362 HydrophobicContact CB-CB 4.15Å; A347-V362 HydrophobicContact CB-CG2 3.65Å; A347-S363 VanDerWaalsContact CB-O 3.26Å; A347-S363 WeakPolarHBondContact CB-O 3.42Å
348S76.6Confident87.4Confident31 Ų3161.4 Ų61.422%0.21736%0.356CS..  trans-78.7100.8175.950.20000110.8G319 M346 G350 W378G319-S348 PolarHBondContact O-OG 3.26Å; M346-S348 PolarHBondContact O-N 3.08Å; S348-G350 PolarHBondContact O-N 2.67Å; S348-W378 PolarHBondContact O-NE1 3.49Å
349C80.6Confident87.3Confident54 Ų5460.4 Ų60.437%0.36536%0.357SS..  trans-69.689.3175.6179.90000111A347 P364 L374 C376A347-C349 PolarHBondContact O-N 2.72Å; C349-P364 HydrophobicContact CB-CG 3.77Å; C349-L374 VanDerWaalsContact SG-CD1 3.6Å; C349-C376 VanDerWaalsContact CA-SG 3.5Å; C349-C376 HydrophobicContact CB-CB 4.1Å; C349-C376 WeakPolarHBondContact CB-SG 3.01Å; C349-C376 WeakPolarHBondContact SG-CA 3.27Å; C349-C376 WeakPolarHBondContact SG-CB 3.34Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.1Å
350G84Confident87.1Confident15 Ų1560.1 Ų60.116%0.15535%0.352CS..SBendtrans81.2178-174.200000114.9S348 R377 W378S348-G350 PolarHBondContact O-N 2.67Å; G350-R377 CarbonylContact C-O 3.48Å; G350-R377 VanDerWaalsContact CA-C 3.47Å; G350-R377 WeakPolarHBondContact CA-O 3.4Å; G350-W378 VanDerWaalsContact N-NE1 3.15Å
351G88Confident87.3Confident39 Ų3958.6 Ų58.640%0.40234%0.335SS..EExtended strand (participates in β ladder)trans132.9178.3-175.500000112.4R377 W378 V379G351-R377 PolarHBondContact N-O 3.48Å; G351-W378 CarbonylContact O-C 3.57Å; G351-W378 WeakPolarHBondContact O-CA 3.39Å; G351-V379 PolarHBondContact O-N 2.96Å
352T90.8Very high87.3Confident76 Ų7650 Ų5047%0.46630%0.295SS..EExtended strand (participates in β ladder)trans-115.6130.1177.3-53.70000111H354 V379T352-H354 WeakPolarHBondContact CG2-CE1 3.43Å; T352-V379 CarbonylContact C-O 3.51Å; T352-V379 WeakPolarHBondContact CA-O 3.4Å; T352-V379 HydrophobicContact CG2-CB 4.01Å; T352-V379 HydrophobicContact CG2-CG1 4.14Å
353I90.8Very high87.2Confident51 Ų5147.1 Ų47.126%0.26228%0.277SS..EExtended strand (participates in β ladder)trans-110.295.6179.5-53.1-179.2000108.1A356 I361 V379 I380 E381 F456I353-A356 HydrophobicContact CG2-CB 4.19Å; I353-I361 HydrophobicContact CD1-CG2 3.97Å; I353-V379 PolarHBondContact N-O 3.18Å; I353-I380 HydrophobicContact CB-CG2 4.47Å; I353-I380 HydrophobicContact CD1-CG1 4.48Å; I353-E381 PolarHBondContact O-N 2.89Å; I353-F456 HydrophobicContact CD1-CE1 3.66Å; I353-F456 HydrophobicContact CD1-CZ 3.66Å; I353-F456 HydrophobicContact CG2-CE2 4.36Å; I353-F456 HydrophobicContact CG2-CZ 3.98Å
354H89.5Confident86.6Confident124 Ų12447.7 Ų47.757%0.57428%0.281SS*.EExtended strand (participates in β ladder)trans-82.1147.2177-56.6-69.9000111.8T352 A356 E381T352-H354 WeakPolarHBondContact CG2-CE1 3.43Å; H354-A356 VanDerWaalsContact C-N 3.26Å; H354-A356 PolarHBondContact O-N 3.06Å; H354-E381 CarbonylContact C-O 3.6Å; H354-E381 IonicContact CE1-OE2 3.1Å; H354-E381 PolarHBondContact CE1-OE2 3.16Å; H354-E381 IonicContact CG-OE2 3.68Å; H354-E381 IonicContact ND1-OE2 2.73Å; H354-E381 PolarHBondContact ND1-OE2 3Å
355N85.8Confident85.8Confident123 Ų12350.8 Ų50.866%0.65829%0.29SS*.EExtended strand (participates in β ladder)trans52.341.4-178.3-65.2-48.1000113.4T357 E381N355-T357 PolarHBondContact O-N 3.37Å; N355-E381 CarbonylContact C-O 3.41Å; N355-E381 WeakPolarHBondContact CA-O 3.13Å; N355-E381 PolarHBondContact N-O 2.91Å
356A85.3Confident84.3Confident4 Ų452.4 Ų52.43%0.03330%0.301CS..EExtended strand (participates in β ladder)trans-53.5133.7175.400000111.5I353 H354 I380 E381 L388 F456 A458I353-A356 HydrophobicContact CG2-CB 4.19Å; H354-A356 VanDerWaalsContact C-N 3.26Å; H354-A356 PolarHBondContact O-N 3.06Å; A356-I380 HydrophobicContact CB-CG2 3.68Å; A356-E381 WeakPolarHBondContact CB-O 3.48Å; A356-E381 PolarHBondContact N-O 3.1Å; A356-L388 HydrophobicContact CB-CD2 3.98Å; A356-F456 HydrophobicContact CB-CD2 4.24Å; A356-F456 HydrophobicContact CB-CE2 3.83Å; A356-A458 WeakPolarHBondContact O-CB 3.14Å
357T83.6Confident82.9Confident92 Ų9252 Ų5256%0.56432%0.321SS*.SBendtrans-129.4-52.5178.149.60000111.3N355 A458N355-T357 PolarHBondContact O-N 3.37Å; T357-A458 PolarHBondContact O-N 2.97Å
358L86.9Confident81.6Confident125 Ų12553.3 Ų53.365%0.65434%0.336SS*.EExtended strand (participates in β ladder)trans-149.9143.3169-178.868.5000108F456 E457L358-F456 CarbonylContact C-O 3.54Å; L358-F456 WeakPolarHBondContact CA-O 3.12Å; L358-E457 HydrophobicContact CD1-CB 3.92Å
359G88.2Confident80.2Confident17 Ų1757.5 Ų57.518%0.17537%0.372CS..EExtended strand (participates in β ladder)trans179.8-166.5174.200000113.6R455 F456G359-R455 CarbonylContact O-C 3.55Å; G359-R455 WeakPolarHBondContact O-CA 3.36Å; G359-F456 VanDerWaalsContact C-CE1 3.46Å; G359-F456 VanDerWaalsContact CA-CZ 3.48Å; G359-F456 PolarHBondContact N-O 2.76Å; G359-F456 PolarHBondContact O-N 3.06Å
360R89.9Confident79Confident56 Ų5658.7 Ų58.721%0.21138%0.378CS..EExtended strand (participates in β ladder)trans-144.1143.5-179.1-178-177-61.5-96.9-7.3110S318 G319 V362 E393 S453 L454 F456S318-R360 WeakPolarHBondContact O-CD 3.07Å; S318-R360 WeakPolarHBondContact OG-CB 3.03Å; S318-R360 PolarHBondContact OG-NE 3.43Å; G319-R360 VanDerWaalsContact CA-O 3.25Å; G319-R360 WeakPolarHBondContact CA-O 3.28Å; R360-V362 HydrophobicContact CG-CG1 4.22Å; R360-E393 IonicContact CZ-OE1 2.77Å; R360-E393 IonicContact CZ-OE2 2.72Å; R360-E393 IonicContact NH1-OE1 3.54Å; R360-E393 IonicContact NH1-OE2 3.18Å; R360-E393 PolarHBondContact NH1-OE2 2.02Å; R360-E393 IonicContact NH2-OE1 3.67Å; R360-E393 PolarHBondContact NH2-OE1 2.9Å; R360-E393 VanDerWaalsContact NH2-OE1 3.1Å; R360-E393 IonicContact NH2-OE2 2.71Å; R360-E393 PolarHBondContact NH2-OE2 3.35Å; R360-S453 PolarHBondContact NH1-OG 2.87Å; R360-L454 CarbonylContact C-O 3.35Å; R360-L454 VanDerWaalsContact CA-O 3.28Å; R360-L454 WeakPolarHBondContact CA-O 3.36Å; R360-L454 WeakPolarHBondContact CG-O 3.37Å; R360-F456 VanDerWaalsContact N-CE1 3.33Å
361I92.1Very high77.8Confident3 Ų360 Ų602%0.01539%0.391CS..EExtended strand (participates in β ladder)trans-111.8147.5162.162.1174.8000109.2I353 W378 I380 V439 L454 F456I353-I361 HydrophobicContact CD1-CG2 3.97Å; I361-W378 HydrophobicContact CB-CD2 4.3Å; I361-W378 HydrophobicContact CB-CG 4.33Å; I361-W378 HydrophobicContact CD1-CB 4.45Å; I361-W378 HydrophobicContact CD1-CD2 4Å; I361-W378 HydrophobicContact CD1-CE3 4Å; I361-W378 HydrophobicContact CD1-CG 4.24Å; I361-W378 HydrophobicContact CG2-CB 4.38Å; I361-W378 HydrophobicContact CG2-CD2 4.45Å; I361-W378 HydrophobicContact CG2-CG 3.96Å; I361-I380 HydrophobicContact CG2-CD1 4.41Å; I361-V439 HydrophobicContact CD1-CB 4.23Å; I361-V439 HydrophobicContact CD1-CG1 3.94Å; I361-V439 HydrophobicContact CD1-CG2 4.24Å; I361-L454 HydrophobicContact CD1-CB 4.46Å; I361-L454 HydrophobicContact CD1-CD2 4.19Å; I361-L454 HydrophobicContact CG1-CB 3.9Å; I361-L454 HydrophobicContact CG1-CD2 4.02Å; I361-L454 HydrophobicContact CG1-CG 4.47Å; I361-L454 PolarHBondContact N-O 2.6Å; I361-L454 PolarHBondContact O-N 2.04Å; I361-F456 HydrophobicContact CG2-CD1 4.36Å; I361-F456 HydrophobicContact CG2-CE1 4.07Å
362V89.6Confident76.5Confident2 Ų262.6 Ų62.61%0.01240%0.4CS..EExtended strand (participates in β ladder)trans-141.6144.4-177.2-86.60000110.6G319 Y320 A347 R360 W378 L452 S453G319-V362 WeakPolarHBondContact O-CG2 3.44Å; Y320-V362 HydrophobicContact CD2-CG2 4.01Å; Y320-V362 HydrophobicContact CE1-CG2 4.35Å; Y320-V362 HydrophobicContact CE2-CB 4.29Å; Y320-V362 HydrophobicContact CE2-CG1 3.96Å; Y320-V362 HydrophobicContact CE2-CG2 3.76Å; Y320-V362 HydrophobicContact CG-CG2 4.4Å; A347-V362 HydrophobicContact CB-CB 4.15Å; A347-V362 HydrophobicContact CB-CG2 3.65Å; R360-V362 HydrophobicContact CG-CG1 4.22Å; V362-W378 WeakPolarHBondContact O-CZ2 3.4Å; V362-L452 CarbonylContact C-O 3.58Å; V362-L452 VanDerWaalsContact CA-O 3.25Å; V362-L452 WeakPolarHBondContact CA-O 3.4Å; V362-S453 WeakPolarHBondContact CG1-OG 3.14Å
363S86.3Confident75.6Confident2 Ų263.5 Ų63.51%0.01440%0.403CS..PPolyproline II helixtrans-73.8152.7166.160.20000111A347 L452A347-S363 VanDerWaalsContact CB-O 3.26Å; A347-S363 WeakPolarHBondContact CB-O 3.42Å; S363-L452 PolarHBondContact N-O 2.92Å; S363-L452 PolarHBondContact OG-N 3.16Å
364P81.1Confident75.1Confident19 Ų1961.6 Ų61.612%0.12339%0.393CS..PPolyproline II helixtrans-57.6154.4160.7-22.134.5000111.9C349 L374C349-P364 HydrophobicContact CB-CG 3.77Å; P364-L374 HydrophobicContact CG-CD1 4.27Å
365E72.3Confident74.9Confident112 Ų11258.9 Ų58.952%0.52339%0.385SS..PPolyproline II helixtrans-78.3139.5173.2-64.6-176.1156.100111.1H298 G367 G368H298-E365 IonicContact CD2-OE1 2.95Å; H298-E365 IonicContact CE1-OE1 3.87Å; H298-E365 PolarHBondContact CE1-OE1 2.78Å; H298-E365 IonicContact NE2-OE1 2.69Å; H298-E365 PolarHBondContact NE2-OE1 3.14Å; E365-G367 PolarHBondContact O-N 3.47Å; E365-G368 PolarHBondContact O-N 3.16Å
366P58.2Low75.1Confident46 Ų4653 Ų5330%0.29935%0.354SS..THydrogen-bonded Turntrans-62.1117.2173.125.1-33.2000110.3N448P366-N448 WeakPolarHBondContact CB-OD1 3.37Å; P366-N448 WeakPolarHBondContact CG-OD1 3.15Å
367G57.4Low75.4Confident86 Ų8658.7 Ų58.789%0.88737%0.374SS*.THydrogen-bonded Turntrans116.9-13.3-170.400000114.2E365E365-G367 PolarHBondContact O-N 3.47Å
368G56.4Low75.9Confident43 Ų4354.5 Ų54.544%0.44335%0.348SS..SBendtrans-62.2166.4163.700000112.5E365 V370E365-G368 PolarHBondContact O-N 3.16Å; G368-V370 PolarHBondContact O-N 2.71Å
369A48.3Very low76.2Confident119 Ų11949.6 Ų49.698%0.98332%0.323SS*.SBendtrans-75.243.9-173.400000114.8
370V55.5Low76.4Confident79 Ų7948.8 Ų48.848%0.47932%0.315SS..  trans-105.2152.6178.6-166.10000110.1G368 L374G368-V370 PolarHBondContact O-N 2.71Å; V370-L374 HydrophobicContact CB-CD1 4.44Å; V370-L374 HydrophobicContact CG1-CD1 3.64Å; V370-L374 HydrophobicContact CG2-CD1 4.5Å
371G57.4Low76.5Confident41 Ų4149.4 Ų49.442%0.42332%0.32SS..  trans-69.517617900000113.7N373G371-N373 PolarHBondContact O-N 2.88Å
372P61.4Low76.2Confident94 Ų9449.6 Ų49.661%0.6132%0.322SS*.SBendtrans-66.8-5.9-177.329.1-36.7000114.7E444 T445 P446P372-E444 CarbonylContact O-C 3.38Å; P372-T445 WeakPolarHBondContact O-CA 3.44Å; P372-P446 WeakPolarHBondContact O-CD 3.37Å
373N72.5Confident75.6Confident96 Ų9651.3 Ų51.351%0.51334%0.337SS..SBendtrans-128.1124.4173.9-56.983.1000108.1G371 S443 E444G371-N373 PolarHBondContact O-N 2.88Å; N373-S443 CarbonylContact C-O 3.47Å; N373-S443 WeakPolarHBondContact CA-O 3.38Å; N373-E444 PolarHBondContact ND2-O 2.76Å; N373-E444 VanDerWaalsContact ND2-O 3.14Å
374L79Confident74.8Confident11 Ų1159.4 Ų59.46%0.05837%0.374CS..EExtended strand (participates in β ladder)trans-99.3142175.5-171.273.7000109.7C349 P364 V370 L441 S443 L450C349-L374 VanDerWaalsContact SG-CD1 3.6Å; P364-L374 HydrophobicContact CG-CD1 4.27Å; V370-L374 HydrophobicContact CB-CD1 4.44Å; V370-L374 HydrophobicContact CG1-CD1 3.64Å; V370-L374 HydrophobicContact CG2-CD1 4.5Å; L374-L441 HydrophobicContact CD2-CD2 4.48Å; L374-S443 PolarHBondContact N-O 2.97Å; L374-S443 PolarHBondContact O-N 2.73Å; L374-L450 HydrophobicContact CD2-CD2 3.54Å
375T86.3Confident74.1Confident66 Ų6660.2 Ų60.241%0.40539%0.386SS..EExtended strand (participates in β ladder)trans-146.895.3171.6-66.50000108.4R377 L441 L442T375-R377 HydrophobicContact CG2-CG 4.34Å; T375-L441 WeakPolarHBondContact CA-O 3.38Å; T375-L442 HydrophobicContact CG2-CD2 3.7Å
376C88.9Confident74.2Confident0 Ų057.3 Ų57.30%037%0.37CS..EExtended strand (participates in β ladder)trans-98.7133.6178.1-54.50000109.9C349 W378 E440 L441C349-C376 VanDerWaalsContact CA-SG 3.5Å; C349-C376 HydrophobicContact CB-CB 4.1Å; C349-C376 WeakPolarHBondContact CB-SG 3.01Å; C349-C376 WeakPolarHBondContact SG-CA 3.27Å; C349-C376 WeakPolarHBondContact SG-CB 3.34Å; C349-C376 CovalentContact SG-SG 2.04Å; C349-C376 PolarHBondContact SG-SG 3.1Å; C376-W378 HydrophobicContact CB-CE3 4.18Å; C376-W378 HydrophobicContact CB-CH2 3.2Å; C376-W378 HydrophobicContact CB-CZ2 3.57Å; C376-W378 HydrophobicContact CB-CZ3 3.54Å; C376-E440 WeakPolarHBondContact O-CA 3.35Å; C376-L441 HydrophobicContact CB-CB 4.45Å; C376-L441 PolarHBondContact N-O 2.85Å; C376-L441 PolarHBondContact O-N 2.78Å
377R91.8Very high75.2Confident124 Ų12456.8 Ų56.847%0.46836%0.362SS..EExtended strand (participates in β ladder)trans-133.2105.5-174.9-71.3174.6167.3130.46.6110.2G350 G351 T375 Y438 V439 E440G350-R377 CarbonylContact C-O 3.48Å; G350-R377 VanDerWaalsContact CA-C 3.47Å; G350-R377 WeakPolarHBondContact CA-O 3.4Å; G351-R377 PolarHBondContact N-O 3.48Å; T375-R377 HydrophobicContact CG2-CG 4.34Å; R377-Y438 VanDerWaalsContact CD-OH 3.31Å; R377-Y438 WeakPolarHBondContact CD-OH 3.49Å; R377-Y438 PolarHBondContact NE-OH 3.11Å; R377-Y438 VanDerWaalsContact NE-OH 3.16Å; R377-V439 CarbonylContact C-O 3.48Å; R377-V439 WeakPolarHBondContact CA-O 3.46Å; R377-E440 HydrophobicContact CG-CG 4.22Å; R377-E440 IonicContact CZ-OE1 2.77Å; R377-E440 IonicContact NE-OE1 3.62Å; R377-E440 PolarHBondContact NE-OE1 3.27Å; R377-E440 IonicContact NH2-OE1 3.84Å; R377-E440 PolarHBondContact NH2-OE1 3.28Å
378W93.4Very high76.6Confident3 Ų352.7 Ų52.71%0.01132%0.32CS..EExtended strand (participates in β ladder)trans-104.6130.3178.6-57.1-90000110.6S348 G350 G351 I361 V362 C376 V439 L441 L452S348-W378 PolarHBondContact O-NE1 3.49Å; G350-W378 VanDerWaalsContact N-NE1 3.15Å; G351-W378 CarbonylContact O-C 3.57Å; G351-W378 WeakPolarHBondContact O-CA 3.39Å; I361-W378 HydrophobicContact CB-CD2 4.3Å; I361-W378 HydrophobicContact CB-CG 4.33Å; I361-W378 HydrophobicContact CD1-CB 4.45Å; I361-W378 HydrophobicContact CD1-CD2 4Å; I361-W378 HydrophobicContact CD1-CE3 4Å; I361-W378 HydrophobicContact CD1-CG 4.24Å; I361-W378 HydrophobicContact CG2-CB 4.38Å; I361-W378 HydrophobicContact CG2-CD2 4.45Å; I361-W378 HydrophobicContact CG2-CG 3.96Å; V362-W378 WeakPolarHBondContact O-CZ2 3.4Å; C376-W378 HydrophobicContact CB-CE3 4.18Å; C376-W378 HydrophobicContact CB-CH2 3.2Å; C376-W378 HydrophobicContact CB-CZ2 3.57Å; C376-W378 HydrophobicContact CB-CZ3 3.54Å; W378-V439 HydrophobicContact CB-CB 4.39Å; W378-V439 HydrophobicContact CE3-CB 4.23Å; W378-V439 HydrophobicContact CE3-CG1 3.97Å; W378-V439 HydrophobicContact CZ3-CG1 4.39Å; W378-V439 PolarHBondContact N-O 3.37Å; W378-V439 PolarHBondContact O-N 3.49Å; W378-L441 HydrophobicContact CH2-CB 4.29Å; W378-L441 HydrophobicContact CH2-CD2 4.3Å; W378-L441 HydrophobicContact CZ3-CB 3.85Å; W378-L452 HydrophobicContact CH2-CD2 3.97Å; W378-L452 HydrophobicContact CZ3-CD2 3.85Å
379V93.8Very high77.9Confident22 Ų2251.6 Ų51.613%0.13330%0.303CS..EExtended strand (participates in β ladder)trans-107118.9167.9-178.70000107.6G351 T352 I353 E381 L437 Y438G351-V379 PolarHBondContact O-N 2.96Å; T352-V379 CarbonylContact C-O 3.51Å; T352-V379 WeakPolarHBondContact CA-O 3.4Å; T352-V379 HydrophobicContact CG2-CB 4.01Å; T352-V379 HydrophobicContact CG2-CG1 4.14Å; I353-V379 PolarHBondContact N-O 3.18Å; V379-E381 HydrophobicContact CG1-CG 3.99Å; V379-L437 WeakPolarHBondContact CA-O 3.11Å; V379-Y438 HydrophobicContact CG2-CD2 3.95Å
380I93.3Very high79.8Confident0 Ų045.9 Ų45.90%026%0.257CS..EExtended strand (participates in β ladder)trans-111124.4-179.4-47.7177.4000107.3I353 A356 I361 L388 L390 S436 L437 V439 F456I353-I380 HydrophobicContact CB-CG2 4.47Å; I353-I380 HydrophobicContact CD1-CG1 4.48Å; A356-I380 HydrophobicContact CB-CG2 3.68Å; I361-I380 HydrophobicContact CG2-CD1 4.41Å; I380-L388 HydrophobicContact CB-CD1 3.79Å; I380-L388 HydrophobicContact CG2-CD1 3.58Å; I380-L388 HydrophobicContact CG2-CD2 3.75Å; I380-L388 HydrophobicContact CG2-CG 4.32Å; I380-L388 WeakPolarHBondContact O-CD1 3.33Å; I380-L390 HydrophobicContact CD1-CD2 4.26Å; I380-S436 CarbonylContact O-C 3.59Å; I380-S436 WeakPolarHBondContact O-CA 3.26Å; I380-S436 WeakPolarHBondContact O-CB 3.07Å; I380-L437 PolarHBondContact N-O 2.53Å; I380-L437 PolarHBondContact O-N 3.37Å; I380-V439 HydrophobicContact CD1-CG2 4.43Å; I380-F456 HydrophobicContact CD1-CB 4.47Å; I380-F456 HydrophobicContact CD1-CD1 3.93Å; I380-F456 HydrophobicContact CD1-CE1 4.41Å; I380-F456 HydrophobicContact CD1-CG 4.21Å; I380-F456 HydrophobicContact CG2-CD2 4.07Å; I380-F456 HydrophobicContact CG2-CE2 4.2Å; I380-F456 HydrophobicContact CG2-CG 4.34Å
381E91.1Very high81.3Confident69 Ų6943.5 Ų43.532%0.32224%0.24SC..EExtended strand (participates in β ladder)trans-126.3111.7-176-56.6-177.1160.500110I353 H354 N355 A356 V379I353-E381 PolarHBondContact O-N 2.89Å; H354-E381 CarbonylContact C-O 3.6Å; H354-E381 IonicContact CE1-OE2 3.1Å; H354-E381 PolarHBondContact CE1-OE2 3.16Å; H354-E381 IonicContact CG-OE2 3.68Å; H354-E381 IonicContact ND1-OE2 2.73Å; H354-E381 PolarHBondContact ND1-OE2 3Å; N355-E381 CarbonylContact C-O 3.41Å; N355-E381 WeakPolarHBondContact CA-O 3.13Å; N355-E381 PolarHBondContact N-O 2.91Å; A356-E381 WeakPolarHBondContact CB-O 3.48Å; A356-E381 PolarHBondContact N-O 3.1Å; V379-E381 HydrophobicContact CG1-CG 3.99Å
382A86Confident82.8Confident7 Ų742.7 Ų42.76%0.05823%0.225CC..EExtended strand (participates in β ladder)trans-82.4166171.500000111.2R386 L388 Q435 A458A382-R386 HydrophobicContact CB-CB 3.92Å; A382-L388 HydrophobicContact CB-CD2 4.04Å; A382-L388 HydrophobicContact CB-CG 4.07Å; A382-Q435 PolarHBondContact N-O 3.47Å; A382-A458 HydrophobicContact CB-CB 3.97Å
383A76.7Confident84Confident38 Ų3842 Ų4231%0.31421%0.213SC..PPolyproline II helixtrans-63156.1169.700000111.8G385 R386A383-G385 PolarHBondContact O-N 3.43Å; A383-R386 WeakPolarHBondContact O-CB 3.39Å; A383-R386 PolarHBondContact O-N 3.47Å
384E70.4Confident84.7Confident172 Ų17245 Ų4580%0.80422%0.217SC*.THydrogen-bonded Turntrans-53.1137.1-179.3-62-175.9158.900112.5R386E384-R386 VanDerWaalsContact C-N 3.29Å; E384-R386 PolarHBondContact O-N 2.88Å
385G65.1Low85.1Confident36 Ų3645.5 Ų45.537%0.37122%0.221SC..THydrogen-bonded Turntrans73.314.5-17900000115.5A383 G461A383-G385 PolarHBondContact O-N 3.43Å; G385-G461 CarbonylContact C-O 3.59Å; G385-G461 PolarHBondContact O-N 3.34Å
386R76.1Confident85Confident52 Ų5243.8 Ų43.820%0.19621%0.212CC..EExtended strand (participates in β ladder)trans-107.9154.4166.4-60.7-171.6-174.6-118.7-1.3111.5A382 A383 E384 Q435 A458 M459 G461 D475A382-R386 HydrophobicContact CB-CB 3.92Å; A383-R386 WeakPolarHBondContact O-CB 3.39Å; A383-R386 PolarHBondContact O-N 3.47Å; E384-R386 VanDerWaalsContact C-N 3.29Å; E384-R386 PolarHBondContact O-N 2.88Å; R386-Q435 VanDerWaalsContact O-CA 3.29Å; R386-Q435 WeakPolarHBondContact O-CA 3.43Å; R386-Q435 WeakPolarHBondContact O-CB 3.25Å; R386-A458 HydrophobicContact CB-CB 4.46Å; R386-A458 PolarHBondContact NH1-O 3.28Å; R386-M459 CarbonylContact C-O 3.57Å; R386-M459 VanDerWaalsContact CA-O 3.27Å; R386-M459 WeakPolarHBondContact CA-O 3.39Å; R386-M459 WeakPolarHBondContact CB-O 3Å; R386-G461 CarbonylContact C-O 3.46Å; R386-D475 IonicContact CZ-OD1 2.7Å; R386-D475 IonicContact NH2-OD1 3.86Å; R386-D475 PolarHBondContact NH2-OD1 2.77Å
387R78.9Confident84.8Confident34 Ų3444.4 Ų44.413%0.12822%0.215CC..EExtended strand (participates in β ladder)trans-105.9158.6166.5-75168.4143.1141.6-3110I431 S432 A458 M459 G461 G462 E463 V487R387-I431 HydrophobicContact CB-CG2 4.38Å; R387-S432 VanDerWaalsContact CD-O 3.32Å; R387-S432 WeakPolarHBondContact CD-O 3.41Å; R387-S432 VanDerWaalsContact CG-O 3.26Å; R387-S432 WeakPolarHBondContact CG-O 3.38Å; R387-S432 PolarHBondContact NE-O 3.33Å; R387-A458 CarbonylContact O-C 3.54Å; R387-A458 VanDerWaalsContact O-CA 3.22Å; R387-A458 WeakPolarHBondContact O-CA 3.02Å; R387-M459 PolarHBondContact N-O 3.26Å; R387-M459 PolarHBondContact O-N 3.18Å; R387-G461 PolarHBondContact N-O 2.89Å; R387-G462 VanDerWaalsContact NH1-C 3.28Å; R387-G462 PolarHBondContact NH1-O 2.85Å; R387-E463 IonicContact CZ-OE1 3.08Å; R387-E463 IonicContact NH1-OE1 3.74Å; R387-E463 PolarHBondContact NH1-OE1 3Å; R387-E463 VanDerWaalsContact NH2-CG 3.3Å; R387-E463 IonicContact NH2-OE1 3.48Å; R387-E463 PolarHBondContact NH2-OE1 2.83Å; R387-V487 PolarHBondContact NH1-O 2.92Å
388L85.3Confident84.3Confident0 Ų040.8 Ų40.80%021%0.205CC..EExtended strand (participates in β ladder)trans-103.2122.6170.8-71.6164000109.1A356 I380 A382 S432 L437 F456 E457 A458A356-L388 HydrophobicContact CB-CD2 3.98Å; I380-L388 HydrophobicContact CB-CD1 3.79Å; I380-L388 HydrophobicContact CG2-CD1 3.58Å; I380-L388 HydrophobicContact CG2-CD2 3.75Å; I380-L388 HydrophobicContact CG2-CG 4.32Å; I380-L388 WeakPolarHBondContact O-CD1 3.33Å; A382-L388 HydrophobicContact CB-CD2 4.04Å; A382-L388 HydrophobicContact CB-CG 4.07Å; L388-S432 PolarHBondContact N-OG 2.89Å; L388-S432 PolarHBondContact O-N 2.88Å; L388-S432 PolarHBondContact O-OG 2.72Å; L388-L437 HydrophobicContact CB-CD1 3.79Å; L388-L437 HydrophobicContact CB-CG 4.28Å; L388-L437 HydrophobicContact CD1-CB 4.22Å; L388-L437 HydrophobicContact CD1-CD1 4.27Å; L388-L437 HydrophobicContact CD1-CG 4.08Å; L388-F456 HydrophobicContact CD2-CD2 4.42Å; L388-E457 WeakPolarHBondContact CA-O 3.33Å; L388-A458 HydrophobicContact CD2-CB 4.29Å
389H83.9Confident83.6Confident20 Ų2047.2 Ų47.29%0.09324%0.235CC..EExtended strand (participates in β ladder)trans-102.4110.8171.7-176.8-156.9000108.5H391 R428 I431 F456 E457 M459H389-H391 AromaticContact CE1-CE1 3.27Å; H389-H391 PolarHBondContact CE1-CE1 3.05Å; H389-H391 AromaticContact CE1-ND1 3.91Å; H389-H391 AromaticContact CE1-NE2 3.37Å; H389-H391 PolarHBondContact CE1-NE2 3.22Å; H389-H391 AromaticContact CG-NE2 3.68Å; H389-H391 AromaticContact ND1-CD2 3.9Å; H389-H391 AromaticContact ND1-CE1 3.47Å; H389-H391 PolarHBondContact ND1-CE1 2.91Å; H389-H391 AromaticContact ND1-NE2 3.11Å; H389-H391 PolarHBondContact ND1-NE2 3.03Å; H389-H391 VanDerWaalsContact ND1-NE2 3.11Å; H389-R428 PolarHBondContact NE2-O 3.29Å; H389-I431 HydrophobicContact CB-CG1 4.36Å; H389-I431 VanDerWaalsContact CD2-CG1 3.4Å; H389-I431 WeakPolarHBondContact CD2-CG1 3.33Å; H389-F456 WeakPolarHBondContact O-CA 3.47Å; H389-E457 HydrophobicContact CB-CG 3.79Å; H389-E457 IonicContact CE1-OE1 3.43Å; H389-E457 IonicContact CG-OE1 3.71Å; H389-E457 PolarHBondContact N-O 2.95Å; H389-E457 IonicContact ND1-OE1 2.7Å; H389-E457 PolarHBondContact ND1-OE1 2.96Å; H389-E457 PolarHBondContact O-N 2.79Å; H389-M459 HydrophobicContact CB-CE 3.92Å; H389-M459 HydrophobicContact CB-CG 3.84Å; H389-M459 HydrophobicContact CB-SD 3.8Å
390L88.6Confident82.8Confident0 Ų053.6 Ų53.60%027%0.268CS..EExtended strand (participates in β ladder)trans-89.8126.4176.7-58.2-160.3000108.9I380 V406 G429 L430 L437 V439 L454 F456I380-L390 HydrophobicContact CD1-CD2 4.26Å; L390-V406 HydrophobicContact CD1-CG1 4Å; L390-V406 HydrophobicContact CD1-CG2 4.34Å; L390-G429 CarbonylContact O-C 3.54Å; L390-G429 WeakPolarHBondContact O-CA 3.48Å; L390-L430 HydrophobicContact CB-CB 4.35Å; L390-L430 HydrophobicContact CD1-CD2 4.41Å; L390-L430 PolarHBondContact N-O 3Å; L390-L430 PolarHBondContact O-N 2.9Å; L390-L437 HydrophobicContact CD1-CD1 3.74Å; L390-L437 HydrophobicContact CD2-CD1 3.77Å; L390-L437 HydrophobicContact CG-CD1 3.63Å; L390-V439 HydrophobicContact CD1-CG2 4.1Å; L390-L454 HydrophobicContact CB-CD1 4.25Å; L390-L454 HydrophobicContact CB-CD2 3.88Å; L390-L454 HydrophobicContact CB-CG 4.34Å; L390-L454 HydrophobicContact CD1-CD1 4.04Å; L390-L454 HydrophobicContact CD1-CD2 4.06Å; L390-L454 HydrophobicContact CD2-CD2 3.85Å; L390-L454 HydrophobicContact CG-CD2 4.13Å; L390-F456 HydrophobicContact CD2-CB 3.59Å
391H87.1Confident82.2Confident28 Ų2856.3 Ų56.313%0.1328%0.283CS..EExtended strand (participates in β ladder)trans-117.2125.2169.7-41.4-137.6000109.1H389 L454 R455 E457H389-H391 AromaticContact CE1-CE1 3.27Å; H389-H391 PolarHBondContact CE1-CE1 3.05Å; H389-H391 AromaticContact CE1-ND1 3.91Å; H389-H391 AromaticContact CE1-NE2 3.37Å; H389-H391 PolarHBondContact CE1-NE2 3.22Å; H389-H391 AromaticContact CG-NE2 3.68Å; H389-H391 AromaticContact ND1-CD2 3.9Å; H389-H391 AromaticContact ND1-CE1 3.47Å; H389-H391 PolarHBondContact ND1-CE1 2.91Å; H389-H391 AromaticContact ND1-NE2 3.11Å; H389-H391 PolarHBondContact ND1-NE2 3.03Å; H389-H391 VanDerWaalsContact ND1-NE2 3.11Å; H391-L454 WeakPolarHBondContact O-CA 3.47Å; H391-R455 HydrophobicContact CB-CG 3.63Å; H391-R455 VanDerWaalsContact CB-CZ 3.44Å; H391-R455 VanDerWaalsContact CB-NE 3.34Å; H391-R455 VanDerWaalsContact CB-NH2 3.33Å; H391-R455 VanDerWaalsContact CG-NH2 3.34Å; H391-R455 PolarHBondContact N-O 2.88Å; H391-R455 PolarHBondContact ND1-NE 2.85Å; H391-R455 PolarHBondContact ND1-NH2 3.02Å; H391-R455 PolarHBondContact O-N 3.06Å; H391-E457 IonicContact CD2-OE1 3.65Å; H391-E457 IonicContact CE1-OE1 3.26Å; H391-E457 PolarHBondContact CE1-OE1 2.81Å; H391-E457 VanDerWaalsContact NE2-CD 3.35Å; H391-E457 IonicContact NE2-OE1 3.44Å; H391-E457 PolarHBondContact NE2-OE1 2.91Å
392F88.9Confident81.9Confident25 Ų2553.3 Ų53.311%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-75.7121.9174-51.9-91.2000108.3V395 L404 Y418 V425 P426 L430 L454F392-V395 HydrophobicContact CB-CG2 4.17Å; F392-V395 HydrophobicContact CD1-CG2 3.81Å; F392-V395 HydrophobicContact CG-CG2 4.42Å; F392-L404 HydrophobicContact CD1-CD2 4.47Å; F392-L404 HydrophobicContact CE1-CD2 4.06Å; F392-Y418 HydrophobicContact CE1-CE1 4.29Å; F392-Y418 HydrophobicContact CZ-CD1 4.34Å; F392-Y418 HydrophobicContact CZ-CE1 4.32Å; F392-V425 HydrophobicContact CB-CB 3.79Å; F392-V425 HydrophobicContact CB-CG1 3.72Å; F392-V425 HydrophobicContact CB-CG2 4.03Å; F392-V425 HydrophobicContact CD1-CB 4.4Å; F392-V425 HydrophobicContact CD1-CG1 3.76Å; F392-V425 HydrophobicContact CD2-CB 4Å; F392-V425 HydrophobicContact CD2-CG1 4.26Å; F392-V425 HydrophobicContact CE1-CG1 4.46Å; F392-V425 HydrophobicContact CG-CB 3.81Å; F392-V425 HydrophobicContact CG-CG1 3.64Å; F392-P426 HydrophobicContact CE2-CG 4.36Å; F392-L430 HydrophobicContact CE2-CB 4Å; F392-L430 HydrophobicContact CZ-CB 4.32Å; F392-L454 HydrophobicContact CD1-CD1 3.73Å; F392-L454 HydrophobicContact CD1-CG 4.49Å; F392-L454 HydrophobicContact CE1-CD1 3.6Å; F392-L454 HydrophobicContact CZ-CD1 4.28Å
393E87.7Confident82Confident78 Ų7857.9 Ų57.936%0.36429%0.285SS..EExtended strand (participates in β ladder)trans-104.6-35.9176.3-75.9-172.1-161.700112.3R360 S453 R455R360-E393 IonicContact CZ-OE1 2.77Å; R360-E393 IonicContact CZ-OE2 2.72Å; R360-E393 IonicContact NH1-OE1 3.54Å; R360-E393 IonicContact NH1-OE2 3.18Å; R360-E393 PolarHBondContact NH1-OE2 2.02Å; R360-E393 IonicContact NH2-OE1 3.67Å; R360-E393 PolarHBondContact NH2-OE1 2.9Å; R360-E393 VanDerWaalsContact NH2-OE1 3.1Å; R360-E393 IonicContact NH2-OE2 2.71Å; R360-E393 PolarHBondContact NH2-OE2 3.35Å; E393-S453 PolarHBondContact N-O 3.17Å; E393-R455 VanDerWaalsContact CD-NH1 3.26Å; E393-R455 HydrophobicContact CG-CG 4.32Å; E393-R455 VanDerWaalsContact OE1-CD 3.25Å; E393-R455 WeakPolarHBondContact OE1-CD 3.38Å; E393-R455 WeakPolarHBondContact OE1-CG 3.46Å; E393-R455 IonicContact OE1-CZ 3.99Å; E393-R455 IonicContact OE1-NE 2.7Å; E393-R455 IonicContact OE1-NH1 2.71Å; E393-R455 PolarHBondContact OE1-NH1 2.82Å
394R85.9Confident82.7Confident159 Ų15956 Ų5660%0.627%0.27SS*.EExtended strand (participates in β ladder)trans-143126.2168.6-58.8-177.4-173.5142.15.3107.1L451 S453R394-L451 HydrophobicContact CB-CD2 4.01Å; R394-L451 HydrophobicContact CB-CG 4.23Å; R394-S453 PolarHBondContact N-O 2.86Å; R394-S453 VanDerWaalsContact N-O 3.08Å; R394-S453 PolarHBondContact O-N 3.19Å
395V87.4Confident83.7Confident22 Ų2248.5 Ų48.513%0.13324%0.235CC..EExtended strand (participates in β ladder)trans-127135.3162.4173.30000105.2F392 L397 L404 V425 L451 L452F392-V395 HydrophobicContact CB-CG2 4.17Å; F392-V395 HydrophobicContact CD1-CG2 3.81Å; F392-V395 HydrophobicContact CG-CG2 4.42Å; V395-L397 HydrophobicContact CG1-CD1 3.89Å; V395-L397 HydrophobicContact CG1-CD2 4.4Å; V395-L397 HydrophobicContact CG1-CG 3.73Å; V395-L404 HydrophobicContact CG2-CD2 4.37Å; V395-V425 HydrophobicContact CB-CG1 3.76Å; V395-V425 HydrophobicContact CG1-CG1 4.22Å; V395-V425 HydrophobicContact CG2-CG1 3.55Å; V395-L451 CarbonylContact C-O 3.58Å; V395-L451 VanDerWaalsContact CA-O 3.26Å; V395-L451 WeakPolarHBondContact CA-O 3.25Å; V395-L452 HydrophobicContact CG2-CD1 3.91Å
396S85.3Confident85Confident30 Ų3046.8 Ų46.821%0.2122%0.217CC..EExtended strand (participates in β ladder)trans-149.7117.7169.5-150.90000106.8D423 P449 L450 L451S396-D423 WeakPolarHBondContact CA-OD1 3.29Å; S396-D423 WeakPolarHBondContact CA-OD2 3.41Å; S396-P449 CarbonylContact C-O 3.49Å; S396-P449 WeakPolarHBondContact CB-O 3.48Å; S396-P449 PolarHBondContact OG-O 2.97Å; S396-L450 WeakPolarHBondContact O-CA 3.24Å; S396-L451 PolarHBondContact N-O 2.93Å; S396-L451 PolarHBondContact O-N 2.95Å
397L84.7Confident85.7Confident13 Ų1345.8 Ų45.87%0.06821%0.213CC..  trans-131145-172.4-58.5176.8000109.4V395 D402 L404 D423 L441 L450V395-L397 HydrophobicContact CG1-CD1 3.89Å; V395-L397 HydrophobicContact CG1-CD2 4.4Å; V395-L397 HydrophobicContact CG1-CG 3.73Å; L397-D402 HydrophobicContact CB-CB 3.97Å; L397-D402 HydrophobicContact CD2-CB 4.11Å; L397-L404 HydrophobicContact CD1-CB 4.05Å; L397-D423 PolarHBondContact N-OD1 2.83Å; L397-L441 HydrophobicContact CD2-CD1 3.8Å; L397-L450 HydrophobicContact CD2-CD1 3.91Å
398D81.9Confident85.9Confident48 Ų4844.2 Ų44.226%0.25721%0.208SC..  trans-81113.4167.6-174.9-16000110.6D400 N401 D402D398-D400 PolarHBondContact O-N 2.9Å; D398-D400 PolarHBondContact OD1-N 3.32Å; D398-N401 HydrophobicContact CB-CB 4.15Å; D398-N401 VanDerWaalsContact CG-ND2 3.33Å; D398-N401 PolarHBondContact O-N 2.78Å; D398-N401 PolarHBondContact OD1-ND2 3.03Å; D398-N401 PolarHBondContact OD2-ND2 2.88Å; D398-D402 HydrophobicContact CB-CB 4.37Å; D398-D402 PolarHBondContact N-OD2 2.88Å; D398-D402 PolarHBondContact O-N 2.86Å
399E77.3Confident85.7Confident139 Ų13951.4 Ų51.465%0.6524%0.235SC*.THydrogen-bonded Turntrans-50.7-30.5-176.1-65.5-173.9-176.600114.5M422E399-M422 HydrophobicContact CB-CE 3.66Å; E399-M422 HydrophobicContact CG-CE 3.62Å; E399-M422 HydrophobicContact CG-SD 3.89Å
400D78Confident85.6Confident155 Ų15551.9 Ų51.983%0.82925%0.245SC*.THydrogen-bonded Turntrans-94.6-19.9-179.2-87.7-41.6000113.4D398D398-D400 PolarHBondContact O-N 2.9Å; D398-D400 PolarHBondContact OD1-N 3.32Å
401N79Confident85.5Confident57 Ų5753.8 Ų53.831%0.30526%0.258SS..THydrogen-bonded Turntrans-127.8-18.2-164.5-62.5-67.9000115.6D398 E444D398-N401 HydrophobicContact CB-CB 4.15Å; D398-N401 VanDerWaalsContact CG-ND2 3.33Å; D398-N401 PolarHBondContact O-N 2.78Å; D398-N401 PolarHBondContact OD1-ND2 3.03Å; D398-N401 PolarHBondContact OD2-ND2 2.88Å; N401-E444 PolarHBondContact O-N 3.42Å
402D86.4Confident85.4Confident7 Ų756 Ų564%0.03728%0.275CS..EExtended strand (participates in β ladder)trans-116.9153.1-173.2-64.1-19.5000112.3L397 D398 L442 S443 L450L397-D402 HydrophobicContact CB-CB 3.97Å; L397-D402 HydrophobicContact CD2-CB 4.11Å; D398-D402 HydrophobicContact CB-CB 4.37Å; D398-D402 PolarHBondContact N-OD2 2.88Å; D398-D402 PolarHBondContact O-N 2.86Å; D402-L442 WeakPolarHBondContact CA-O 3.36Å; D402-S443 WeakPolarHBondContact OD1-CA 3.44Å; D402-S443 WeakPolarHBondContact OD1-CB 3.28Å; D402-S443 PolarHBondContact OD1-OG 3.39Å; D402-L450 HydrophobicContact CB-CD1 4.41Å; D402-L450 VanDerWaalsContact OD2-CD1 3.31Å; D402-L450 WeakPolarHBondContact OD2-CD1 3.39Å
403R88.3Confident85.3Confident102 Ų10262.7 Ų62.739%0.38531%0.311SS..EExtended strand (participates in β ladder)trans-156.3132.7175.7-168.8168.7167.1175.70.1113.6M405 D419 L442R403-M405 HydrophobicContact CG-CE 4.13Å; R403-M405 HydrophobicContact CG-CG 4.45Å; R403-D419 IonicContact CZ-OD1 3.69Å; R403-D419 VanDerWaalsContact CZ-OD1 3.28Å; R403-D419 IonicContact CZ-OD2 3.91Å; R403-D419 IonicContact NE-OD1 3.67Å; R403-D419 PolarHBondContact NE-OD1 3.18Å; R403-D419 IonicContact NE-OD2 3.32Å; R403-D419 IonicContact NH2-OD1 3.51Å; R403-D419 PolarHBondContact NH2-OD1 2.85Å; R403-D419 IonicContact NH2-OD2 3.1Å; R403-D419 PolarHBondContact NH2-OD2 3.43Å; R403-L442 PolarHBondContact N-O 3.1Å; R403-L442 PolarHBondContact O-N 2.7Å
404L90.6Very high85.3Confident0 Ų059.8 Ų59.80%030%0.299CS..EExtended strand (participates in β ladder)trans-110.9114.9177.5-179.658.4000111.2F392 V395 L397 Y418 S420 V439 L441 L452F392-L404 HydrophobicContact CD1-CD2 4.47Å; F392-L404 HydrophobicContact CE1-CD2 4.06Å; V395-L404 HydrophobicContact CG2-CD2 4.37Å; L397-L404 HydrophobicContact CD1-CB 4.05Å; L404-Y418 HydrophobicContact CD2-CE1 4.27Å; L404-Y418 HydrophobicContact CG-CE1 4.37Å; L404-S420 PolarHBondContact N-O 3.46Å; L404-S420 PolarHBondContact O-N 3.34Å; L404-V439 HydrophobicContact CD1-CG1 3.95Å; L404-L441 HydrophobicContact CB-CD1 4.31Å; L404-L441 HydrophobicContact CD1-CB 4.41Å; L404-L441 HydrophobicContact CD1-CD1 4.35Å; L404-L452 HydrophobicContact CD1-CD2 3.98Å; L404-L452 HydrophobicContact CD2-CD1 3.86Å
405M91.3Very high85.2Confident13 Ų1356.3 Ų56.36%0.06430%0.297CS..EExtended strand (participates in β ladder)trans-114.2132.9176.9-76.4170.2-84.100110.9R403 R407 D419 V439 E440 L442R403-M405 HydrophobicContact CG-CE 4.13Å; R403-M405 HydrophobicContact CG-CG 4.45Å; M405-R407 PolarHBondContact SD-NH2 3.42Å; M405-D419 WeakPolarHBondContact CG-OD1 3.36Å; M405-V439 WeakPolarHBondContact O-CA 3.37Å; M405-E440 PolarHBondContact N-O 3.47Å; M405-E440 PolarHBondContact O-N 3.37Å; M405-L442 HydrophobicContact CE-CD1 3.61Å; M405-L442 HydrophobicContact CE-CG 4.13Å
406V92.7Very high85.2Confident0 Ų058.6 Ų58.60%031%0.311CS..EExtended strand (participates in β ladder)trans-121131.1168.4-1700000109.5L390 I417 Y418 L430 L437 Y438 V439L390-V406 HydrophobicContact CD1-CG1 4Å; L390-V406 HydrophobicContact CD1-CG2 4.34Å; V406-I417 HydrophobicContact CB-CG1 4.25Å; V406-I417 HydrophobicContact CG1-CD1 4.05Å; V406-I417 HydrophobicContact CG1-CG1 4.04Å; V406-I417 WeakPolarHBondContact O-CG1 3.42Å; V406-I417 PolarHBondContact O-N 2.81Å; V406-Y418 HydrophobicContact CG2-CD1 4.3Å; V406-Y418 PolarHBondContact N-O 3.48Å; V406-Y418 PolarHBondContact O-N 3.38Å; V406-Y418 VanDerWaalsContact O-N 3.1Å; V406-L430 HydrophobicContact CB-CD2 3.85Å; V406-L430 HydrophobicContact CG1-CD2 3.79Å; V406-L430 HydrophobicContact CG2-CD2 4.08Å; V406-L437 HydrophobicContact CG1-CD1 4.38Å; V406-L437 HydrophobicContact CG1-CD2 4.24Å; V406-Y438 WeakPolarHBondContact CA-O 3.22Å; V406-V439 HydrophobicContact CG1-CG2 4.12Å; V406-V439 HydrophobicContact CG2-CG1 4.35Å; V406-V439 HydrophobicContact CG2-CG2 4.29Å
407R91Very high85.2Confident31 Ų3160 Ų6012%0.11732%0.315CS..EExtended strand (participates in β ladder)trans-119.4139.7179.4-52.5-174.8169.985.62.8110.9M405 S414 P415 V416 L437 Y438 E440M405-R407 PolarHBondContact SD-NH2 3.42Å; R407-S414 WeakPolarHBondContact CB-OG 3.31Å; R407-P415 WeakPolarHBondContact CA-O 3.34Å; R407-V416 HydrophobicContact CG-CG2 4.13Å; R407-L437 WeakPolarHBondContact O-CD2 3.25Å; R407-Y438 HydrophobicContact CG-CD1 4.36Å; R407-Y438 PolarHBondContact N-O 2.81Å; R407-Y438 PolarHBondContact O-N 3.2Å; R407-E440 IonicContact CZ-OE2 2.74Å; R407-E440 IonicContact NH1-OE2 3.47Å; R407-E440 PolarHBondContact NH1-OE2 2.96Å; R407-E440 IonicContact NH2-OE2 3.51Å
408S82.3Confident85.4Confident1 Ų160.6 Ų60.61%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-54134.2165.9157.50000109.2S414 P415 D433S408-S414 WeakPolarHBondContact O-CB 3.23Å; S408-S414 PolarHBondContact O-OG 2.8Å; S408-P415 PolarHBondContact N-O 2.89Å; S408-D433 WeakPolarHBondContact CB-OD1 3.39Å; S408-D433 VanDerWaalsContact CB-OD2 3.31Å; S408-D433 WeakPolarHBondContact CB-OD2 3.36Å; S408-D433 PolarHBondContact OG-OD1 3.49Å; S408-D433 PolarHBondContact OG-OD2 2.92Å
409R82.4Confident85.8Confident152 Ų15261.8 Ų61.857%0.57432%0.323SS*.SBendtrans69.4147.3179.2-150.1180-54.9-110.5-6.6113.5S411 S414 A434 S436 Y438R409-S411 PolarHBondContact O-N 2.94Å; R409-S414 PolarHBondContact O-OG 2.72Å; R409-A434 HydrophobicContact CB-CB 4.5Å; R409-S436 WeakPolarHBondContact CA-O 3.37Å; R409-S436 WeakPolarHBondContact CA-OG 3.36Å; R409-S436 PolarHBondContact N-O 2.86Å; R409-Y438 PolarHBondContact O-N 2.97Å
410G81.4Confident86.1Confident29 Ų2955.8 Ų55.830%0.29930%0.297SS..SBendtrans-71.750.8-177.500000116.5S436G410-S436 PolarHBondContact N-OG 2.75Å
411S85.8Confident86.3Confident40 Ų4051.9 Ų51.928%0.2828%0.276SS..SBendtrans-140.1146.3-178.8176.80000111.9R409 L413 S414R409-S411 PolarHBondContact O-N 2.94Å; S411-L413 PolarHBondContact O-N 2.87Å; S411-L413 PolarHBondContact OG-N 2.83Å; S411-S414 PolarHBondContact O-OG 2.77Å
412P85.6Confident86.2Confident74 Ų7451.8 Ų51.848%0.48127%0.274SS..THydrogen-bonded Turntrans-71.2-15.6173.228.7-35.3000113.9Y438P412-Y438 HydrophobicContact CB-CE1 4.18Å; P412-Y438 HydrophobicContact CB-CE2 4.1Å
413L87.4Confident85.7Confident166 Ų16654.8 Ų54.887%0.86929%0.291SS*.THydrogen-bonded Turntrans-96.95.7-176.7-64.1171.6000113.8S411S411-L413 PolarHBondContact O-N 2.87Å; S411-L413 PolarHBondContact OG-N 2.83Å
414S86.7Confident85.3Confident18 Ų1856.3 Ų56.313%0.12631%0.306CS..SBendtrans-92.7167.3-173.165.20000112.3R407 S408 R409 S411 V416R407-S414 WeakPolarHBondContact CB-OG 3.31Å; S408-S414 WeakPolarHBondContact O-CB 3.23Å; S408-S414 PolarHBondContact O-OG 2.8Å; R409-S414 PolarHBondContact O-OG 2.72Å; S411-S414 PolarHBondContact O-OG 2.77Å; S414-V416 PolarHBondContact O-N 2.86Å
415P83.1Confident84.9Confident85 Ų8558.8 Ų58.855%0.55232%0.321SS*.PPolyproline II helixtrans-68.9135.5-171.923.6-27.2000111.7R407 S408R407-P415 WeakPolarHBondContact CA-O 3.34Å; S408-P415 PolarHBondContact N-O 2.89Å
416V87.5Confident84.4Confident70 Ų7060.5 Ų60.542%0.42433%0.334SS..EExtended strand (participates in β ladder)trans-71130.9177.5-1740000109.1R407 S414 Y418 D419R407-V416 HydrophobicContact CG-CG2 4.13Å; S414-V416 PolarHBondContact O-N 2.86Å; V416-Y418 VanDerWaalsContact CG1-O 3.26Å; V416-Y418 WeakPolarHBondContact CG1-O 3.49Å; V416-D419 HydrophobicContact CG1-CB 3.85Å
417I86.9Confident83.5Confident59 Ų5970.1 Ų70.130%0.30338%0.378SS..EExtended strand (participates in β ladder)trans-114.9-17.3177.859.5166.2000112.6V406 L430 L437V406-I417 HydrophobicContact CB-CG1 4.25Å; V406-I417 HydrophobicContact CG1-CD1 4.05Å; V406-I417 HydrophobicContact CG1-CG1 4.04Å; V406-I417 WeakPolarHBondContact O-CG1 3.42Å; V406-I417 PolarHBondContact O-N 2.81Å; I417-L430 HydrophobicContact CD1-CD1 4.42Å; I417-L430 HydrophobicContact CD1-CD2 3.84Å; I417-L430 HydrophobicContact CD1-CG 4.16Å; I417-L430 HydrophobicContact CG1-CD2 4.08Å; I417-L437 HydrophobicContact CD1-CD2 3.58Å
418Y87.9Confident82.5Confident26 Ų2679 Ų7910%0.10241%0.412CS..EExtended strand (participates in β ladder)trans-148.8140.5168.1-176.8-99.7000109.3F392 L404 V406 V416 S420 D424 P426F392-Y418 HydrophobicContact CE1-CE1 4.29Å; F392-Y418 HydrophobicContact CZ-CD1 4.34Å; F392-Y418 HydrophobicContact CZ-CE1 4.32Å; L404-Y418 HydrophobicContact CD2-CE1 4.27Å; L404-Y418 HydrophobicContact CG-CE1 4.37Å; V406-Y418 HydrophobicContact CG2-CD1 4.3Å; V406-Y418 PolarHBondContact N-O 3.48Å; V406-Y418 PolarHBondContact O-N 3.38Å; V406-Y418 VanDerWaalsContact O-N 3.1Å; V416-Y418 VanDerWaalsContact CG1-O 3.26Å; V416-Y418 WeakPolarHBondContact CG1-O 3.49Å; Y418-S420 VanDerWaalsContact OH-CB 3.31Å; Y418-S420 WeakPolarHBondContact OH-CB 3.48Å; Y418-D424 PolarHBondContact OH-O 3.43Å; Y418-D424 VanDerWaalsContact OH-O 3.08Å; Y418-P426 HydrophobicContact CD2-CG 4.24Å; Y418-P426 HydrophobicContact CE2-CG 3.98Å
419D89.4Confident82.4Confident73 Ų7379.7 Ų79.739%0.3942%0.419SS..EExtended strand (participates in β ladder)trans-151.3115.7-179.3-158.1-9.3000106.4R403 M405 V416R403-D419 IonicContact CZ-OD1 3.69Å; R403-D419 VanDerWaalsContact CZ-OD1 3.28Å; R403-D419 IonicContact CZ-OD2 3.91Å; R403-D419 IonicContact NE-OD1 3.67Å; R403-D419 PolarHBondContact NE-OD1 3.18Å; R403-D419 IonicContact NE-OD2 3.32Å; R403-D419 IonicContact NH2-OD1 3.51Å; R403-D419 PolarHBondContact NH2-OD1 2.85Å; R403-D419 IonicContact NH2-OD2 3.1Å; R403-D419 PolarHBondContact NH2-OD2 3.43Å; M405-D419 WeakPolarHBondContact CG-OD1 3.36Å; V416-D419 HydrophobicContact CG1-CB 3.85Å
420S84.3Confident82.5Confident13 Ų1373.6 Ų73.69%0.09140%0.398CS..EExtended strand (participates in β ladder)trans-148.8134.5179.2-162.40000111.5L404 Y418 M422L404-S420 PolarHBondContact N-O 3.46Å; L404-S420 PolarHBondContact O-N 3.34Å; Y418-S420 VanDerWaalsContact OH-CB 3.31Å; Y418-S420 WeakPolarHBondContact OH-CB 3.48Å; S420-M422 PolarHBondContact OG-N 3.41Å; S420-M422 VanDerWaalsContact OG-N 3.15Å; S420-M422 PolarHBondContact OG-O 3.49Å
421D81.4Confident82.5Confident73 Ų7376.5 Ų76.539%0.3941%0.406SS..SBendtrans-91.4-23.9161.729.233.5000110.9
422M77.1Confident82.4Confident55 Ų5574.7 Ų74.727%0.27139%0.393SS..SBendtrans-89.6161.9178.2-48.1-67.7100.600113.3E399 S420 D424E399-M422 HydrophobicContact CB-CE 3.66Å; E399-M422 HydrophobicContact CG-CE 3.62Å; E399-M422 HydrophobicContact CG-SD 3.89Å; S420-M422 PolarHBondContact OG-N 3.41Å; S420-M422 VanDerWaalsContact OG-N 3.15Å; S420-M422 PolarHBondContact OG-O 3.49Å; M422-D424 HydrophobicContact CB-CB 4.3Å; M422-D424 PolarHBondContact O-N 2.85Å; M422-D424 VanDerWaalsContact O-N 3.17Å
423D77.3Confident81.9Confident71 Ų7174 Ų7438%0.3839%0.386SS..SBendtrans-71.21.9171.9-78.1-4.8000115S396 L397 V425S396-D423 WeakPolarHBondContact CA-OD1 3.29Å; S396-D423 WeakPolarHBondContact CA-OD2 3.41Å; L397-D423 PolarHBondContact N-OD1 2.83Å; D423-V425 VanDerWaalsContact C-N 3.35Å; D423-V425 PolarHBondContact O-N 2.9Å
424D79.3Confident81.4Confident133 Ų13367 Ų6771%0.71135%0.351SS*.  trans-71.178.2-175.1-75.9-24000113Y418 M422Y418-D424 PolarHBondContact OH-O 3.43Å; Y418-D424 VanDerWaalsContact OH-O 3.08Å; M422-D424 HydrophobicContact CB-CB 4.3Å; M422-D424 PolarHBondContact O-N 2.85Å; M422-D424 VanDerWaalsContact O-N 3.17Å
425V82.4Confident81.1Confident53 Ų5370.3 Ų70.332%0.32137%0.365SS..  trans-84.6144.7179.4-66.20000113.5F392 V395 D423 E427F392-V425 HydrophobicContact CB-CB 3.79Å; F392-V425 HydrophobicContact CB-CG1 3.72Å; F392-V425 HydrophobicContact CB-CG2 4.03Å; F392-V425 HydrophobicContact CD1-CB 4.4Å; F392-V425 HydrophobicContact CD1-CG1 3.76Å; F392-V425 HydrophobicContact CD2-CB 4Å; F392-V425 HydrophobicContact CD2-CG1 4.26Å; F392-V425 HydrophobicContact CE1-CG1 4.46Å; F392-V425 HydrophobicContact CG-CB 3.81Å; F392-V425 HydrophobicContact CG-CG1 3.64Å; V395-V425 HydrophobicContact CB-CG1 3.76Å; V395-V425 HydrophobicContact CG1-CG1 4.22Å; V395-V425 HydrophobicContact CG2-CG1 3.55Å; D423-V425 VanDerWaalsContact C-N 3.35Å; D423-V425 PolarHBondContact O-N 2.9Å; V425-E427 PolarHBondContact O-N 3.39Å
426P81.6Confident81.4Confident49 Ų4967.1 Ų67.132%0.31834%0.344SS..  trans-65.1123.8177.4-20.732.7000112.6F392 Y418 R428 G429F392-P426 HydrophobicContact CE2-CG 4.36Å; Y418-P426 HydrophobicContact CD2-CG 4.24Å; Y418-P426 HydrophobicContact CE2-CG 3.98Å; P426-R428 PolarHBondContact O-N 2.85Å; P426-G429 PolarHBondContact O-N 3.02Å
427E72.5Confident81.6Confident201 Ų20163.8 Ų63.894%0.93932%0.324SS*.THydrogen-bonded Turntrans-50.2-31.8-179.5-66.8-172.1152.100114.5V425V425-E427 PolarHBondContact O-N 3.39Å
428R69.3Low81.9Confident218 Ų21861.7 Ų61.782%0.82331%0.312SS*.THydrogen-bonded Turntrans-97.43.7-176.5-65-171.8179.5-170.70.1114H389 P426H389-R428 PolarHBondContact NE2-O 3.29Å; P426-R428 PolarHBondContact O-N 2.85Å
429G81.9Confident82.1Confident16 Ų1660.5 Ų60.517%0.16531%0.308CS..  trans74.8-171.7-168.100000113.4L390 P426L390-G429 CarbonylContact O-C 3.54Å; L390-G429 WeakPolarHBondContact O-CA 3.48Å; P426-G429 PolarHBondContact O-N 3.02Å
430L83.4Confident82.2Confident24 Ų2457.6 Ų57.613%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-126.6118.7-176.4179.779.8000108.9L390 F392 V406 I417L390-L430 HydrophobicContact CB-CB 4.35Å; L390-L430 HydrophobicContact CD1-CD2 4.41Å; L390-L430 PolarHBondContact N-O 3Å; L390-L430 PolarHBondContact O-N 2.9Å; F392-L430 HydrophobicContact CE2-CB 4Å; F392-L430 HydrophobicContact CZ-CB 4.32Å; V406-L430 HydrophobicContact CB-CD2 3.85Å; V406-L430 HydrophobicContact CG1-CD2 3.79Å; V406-L430 HydrophobicContact CG2-CD2 4.08Å; I417-L430 HydrophobicContact CD1-CD1 4.42Å; I417-L430 HydrophobicContact CD1-CD2 3.84Å; I417-L430 HydrophobicContact CD1-CG 4.16Å; I417-L430 HydrophobicContact CG1-CD2 4.08Å
431I81.8Confident82.5Confident89 Ų8957 Ų5746%0.45629%0.288SS..EExtended strand (participates in β ladder)trans-98.3132.9179.2-59.6167.7000109R387 H389 M459R387-I431 HydrophobicContact CB-CG2 4.38Å; H389-I431 HydrophobicContact CB-CG1 4.36Å; H389-I431 VanDerWaalsContact CD2-CG1 3.4Å; H389-I431 WeakPolarHBondContact CD2-CG1 3.33Å; I431-M459 HydrophobicContact CD1-CE 3.94Å; I431-M459 HydrophobicContact CG1-CE 4.07Å; I431-M459 HydrophobicContact CG2-CE 4.09Å
432S84.4Confident82.8Confident2 Ų255.9 Ų55.91%0.01428%0.281CS..  trans-71.5147.9174.575.50000113R387 L388 A434R387-S432 VanDerWaalsContact CD-O 3.32Å; R387-S432 WeakPolarHBondContact CD-O 3.41Å; R387-S432 VanDerWaalsContact CG-O 3.26Å; R387-S432 WeakPolarHBondContact CG-O 3.38Å; R387-S432 PolarHBondContact NE-O 3.33Å; L388-S432 PolarHBondContact N-OG 2.89Å; L388-S432 PolarHBondContact O-N 2.88Å; L388-S432 PolarHBondContact O-OG 2.72Å; S432-A434 VanDerWaalsContact CB-O 3.28Å; S432-A434 WeakPolarHBondContact CB-O 3.27Å; S432-A434 PolarHBondContact OG-O 2.88Å
433D74.6Confident83.1Confident61 Ų6153.4 Ų53.433%0.32627%0.269SS..SBendtrans-73.6-42.4162.160.4-32.6000111.3S408S408-D433 WeakPolarHBondContact CB-OD1 3.39Å; S408-D433 VanDerWaalsContact CB-OD2 3.31Å; S408-D433 WeakPolarHBondContact CB-OD2 3.36Å; S408-D433 PolarHBondContact OG-OD1 3.49Å; S408-D433 PolarHBondContact OG-OD2 2.92Å
434A76.3Confident83.1Confident17 Ų1756.4 Ų56.414%0.1428%0.281CS..SBendtrans-106162.3-174.100000114R409 S432 S436R409-A434 HydrophobicContact CB-CB 4.5Å; S432-A434 VanDerWaalsContact CB-O 3.28Å; S432-A434 WeakPolarHBondContact CB-O 3.27Å; S432-A434 PolarHBondContact OG-O 2.88Å; A434-S436 PolarHBondContact O-N 2.77Å
435Q81.3Confident82.6Confident89 Ų8953 Ų5342%0.41627%0.265SS..SBendtrans-69.82177.574.9-166.435.100115.3A382 R386A382-Q435 PolarHBondContact N-O 3.47Å; R386-Q435 VanDerWaalsContact O-CA 3.29Å; R386-Q435 WeakPolarHBondContact O-CA 3.43Å; R386-Q435 WeakPolarHBondContact O-CB 3.25Å
436S88.3Confident81.5Confident17 Ų1753 Ų5312%0.11927%0.267CS..EExtended strand (participates in β ladder)trans-141.4157174.551.30000111.3I380 R409 G410 A434I380-S436 CarbonylContact O-C 3.59Å; I380-S436 WeakPolarHBondContact O-CA 3.26Å; I380-S436 WeakPolarHBondContact O-CB 3.07Å; R409-S436 WeakPolarHBondContact CA-O 3.37Å; R409-S436 WeakPolarHBondContact CA-OG 3.36Å; R409-S436 PolarHBondContact N-O 2.86Å; G410-S436 PolarHBondContact N-OG 2.75Å; A434-S436 PolarHBondContact O-N 2.77Å
437L92.1Very high80.3Confident0 Ų053 Ų530%027%0.27CS..EExtended strand (participates in β ladder)trans-135.2148.9176.3-72.4178.8000110.7V379 I380 L388 L390 V406 R407 I417V379-L437 WeakPolarHBondContact CA-O 3.11Å; I380-L437 PolarHBondContact N-O 2.53Å; I380-L437 PolarHBondContact O-N 3.37Å; L388-L437 HydrophobicContact CB-CD1 3.79Å; L388-L437 HydrophobicContact CB-CG 4.28Å; L388-L437 HydrophobicContact CD1-CB 4.22Å; L388-L437 HydrophobicContact CD1-CD1 4.27Å; L388-L437 HydrophobicContact CD1-CG 4.08Å; L390-L437 HydrophobicContact CD1-CD1 3.74Å; L390-L437 HydrophobicContact CD2-CD1 3.77Å; L390-L437 HydrophobicContact CG-CD1 3.63Å; V406-L437 HydrophobicContact CG1-CD1 4.38Å; V406-L437 HydrophobicContact CG1-CD2 4.24Å; R407-L437 WeakPolarHBondContact O-CD2 3.25Å; I417-L437 HydrophobicContact CD1-CD2 3.58Å
438Y92.8Very high79.7Confident16 Ų1649.8 Ų49.86%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-114.1115.5169.6177.5-83.9000108.5R377 V379 V406 R407 R409 P412 E440R377-Y438 VanDerWaalsContact CD-OH 3.31Å; R377-Y438 WeakPolarHBondContact CD-OH 3.49Å; R377-Y438 PolarHBondContact NE-OH 3.11Å; R377-Y438 VanDerWaalsContact NE-OH 3.16Å; V379-Y438 HydrophobicContact CG2-CD2 3.95Å; V406-Y438 WeakPolarHBondContact CA-O 3.22Å; R407-Y438 HydrophobicContact CG-CD1 4.36Å; R407-Y438 PolarHBondContact N-O 2.81Å; R407-Y438 PolarHBondContact O-N 3.2Å; R409-Y438 PolarHBondContact O-N 2.97Å; P412-Y438 HydrophobicContact CB-CE1 4.18Å; P412-Y438 HydrophobicContact CB-CE2 4.1Å; Y438-E440 HydrophobicContact CD1-CB 4.33Å; Y438-E440 HydrophobicContact CE1-CB 3.63Å; Y438-E440 HydrophobicContact CE1-CG 4.34Å; Y438-E440 PolarHBondContact OH-OE1 2.85Å
439V93.3Very high79.3Confident0 Ų043.1 Ų43.10%025%0.245CC..EExtended strand (participates in β ladder)trans-108.3129.1177.4-176.40000108.7I361 R377 W378 I380 L390 L404 M405 V406I361-V439 HydrophobicContact CD1-CB 4.23Å; I361-V439 HydrophobicContact CD1-CG1 3.94Å; I361-V439 HydrophobicContact CD1-CG2 4.24Å; R377-V439 CarbonylContact C-O 3.48Å; R377-V439 WeakPolarHBondContact CA-O 3.46Å; W378-V439 HydrophobicContact CB-CB 4.39Å; W378-V439 HydrophobicContact CE3-CB 4.23Å; W378-V439 HydrophobicContact CE3-CG1 3.97Å; W378-V439 HydrophobicContact CZ3-CG1 4.39Å; W378-V439 PolarHBondContact N-O 3.37Å; W378-V439 PolarHBondContact O-N 3.49Å; I380-V439 HydrophobicContact CD1-CG2 4.43Å; L390-V439 HydrophobicContact CD1-CG2 4.1Å; L404-V439 HydrophobicContact CD1-CG1 3.95Å; M405-V439 WeakPolarHBondContact O-CA 3.37Å; V406-V439 HydrophobicContact CG1-CG2 4.12Å; V406-V439 HydrophobicContact CG2-CG1 4.35Å; V406-V439 HydrophobicContact CG2-CG2 4.29Å
440E91.8Very high78.9Confident13 Ų1342.7 Ų42.76%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-131.7120.4-178.7178.2166.2-122.200109.8C376 R377 M405 R407 Y438 L442C376-E440 WeakPolarHBondContact O-CA 3.35Å; R377-E440 HydrophobicContact CG-CG 4.22Å; R377-E440 IonicContact CZ-OE1 2.77Å; R377-E440 IonicContact NE-OE1 3.62Å; R377-E440 PolarHBondContact NE-OE1 3.27Å; R377-E440 IonicContact NH2-OE1 3.84Å; R377-E440 PolarHBondContact NH2-OE1 3.28Å; M405-E440 PolarHBondContact N-O 3.47Å; M405-E440 PolarHBondContact O-N 3.37Å; R407-E440 IonicContact CZ-OE2 2.74Å; R407-E440 IonicContact NH1-OE2 3.47Å; R407-E440 PolarHBondContact NH1-OE2 2.96Å; R407-E440 IonicContact NH2-OE2 3.51Å; Y438-E440 HydrophobicContact CD1-CB 4.33Å; Y438-E440 HydrophobicContact CE1-CB 3.63Å; Y438-E440 HydrophobicContact CE1-CG 4.34Å; Y438-E440 PolarHBondContact OH-OE1 2.85Å; E440-L442 HydrophobicContact CG-CD2 3.99Å; E440-L442 HydrophobicContact CG-CG 4.3Å
441L89.9Confident78.8Confident0 Ų044.4 Ų44.40%025%0.247CC..EExtended strand (participates in β ladder)trans-110.6120.5173.7178.468000108.3L374 T375 C376 W378 L397 L404 L450 L452L374-L441 HydrophobicContact CD2-CD2 4.48Å; T375-L441 WeakPolarHBondContact CA-O 3.38Å; C376-L441 HydrophobicContact CB-CB 4.45Å; C376-L441 PolarHBondContact N-O 2.85Å; C376-L441 PolarHBondContact O-N 2.78Å; W378-L441 HydrophobicContact CH2-CB 4.29Å; W378-L441 HydrophobicContact CH2-CD2 4.3Å; W378-L441 HydrophobicContact CZ3-CB 3.85Å; L397-L441 HydrophobicContact CD2-CD1 3.8Å; L404-L441 HydrophobicContact CB-CD1 4.31Å; L404-L441 HydrophobicContact CD1-CB 4.41Å; L404-L441 HydrophobicContact CD1-CD1 4.35Å; L441-L450 HydrophobicContact CD1-CD1 4.21Å; L441-L450 HydrophobicContact CD2-CD1 4.26Å; L441-L452 HydrophobicContact CB-CD2 4.47Å; L441-L452 HydrophobicContact CD2-CB 4.05Å; L441-L452 HydrophobicContact CD2-CD2 4.1Å
442L87.7Confident79.1Confident50 Ų5040.2 Ų40.226%0.26223%0.226SC..EExtended strand (participates in β ladder)trans-106.9143.5172.4-54.2-178.5000108.9T375 D402 R403 M405 E440T375-L442 HydrophobicContact CG2-CD2 3.7Å; D402-L442 WeakPolarHBondContact CA-O 3.36Å; R403-L442 PolarHBondContact N-O 3.1Å; R403-L442 PolarHBondContact O-N 2.7Å; M405-L442 HydrophobicContact CE-CD1 3.61Å; M405-L442 HydrophobicContact CE-CG 4.13Å; E440-L442 HydrophobicContact CG-CD2 3.99Å; E440-L442 HydrophobicContact CG-CG 4.3Å
443S83.9Confident79.3Confident2 Ų240.5 Ų40.51%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-147.6121168.9173.40000108.7N373 L374 D402 T445N373-S443 CarbonylContact C-O 3.47Å; N373-S443 WeakPolarHBondContact CA-O 3.38Å; L374-S443 PolarHBondContact N-O 2.97Å; L374-S443 PolarHBondContact O-N 2.73Å; D402-S443 WeakPolarHBondContact OD1-CA 3.44Å; D402-S443 WeakPolarHBondContact OD1-CB 3.28Å; D402-S443 PolarHBondContact OD1-OG 3.39Å; S443-T445 PolarHBondContact OG-O 3.49Å
444E76.2Confident80Confident135 Ų13537.6 Ų37.663%0.63121%0.212SC*.SBendtrans-86.7-15.8-178.8-64.1-155.1-177.800113.6P372 N373 N401P372-E444 CarbonylContact O-C 3.38Å; N373-E444 PolarHBondContact ND2-O 2.76Å; N373-E444 VanDerWaalsContact ND2-O 3.14Å; N401-E444 PolarHBondContact O-N 3.42Å
445T68.8Low80.7Confident61 Ų6141 Ų4137%0.37422%0.221SC..SBendtrans-147.2122.9164.554.60000111P372 S443 A447P372-T445 WeakPolarHBondContact O-CA 3.44Å; S443-T445 PolarHBondContact OG-O 3.49Å; T445-A447 PolarHBondContact O-N 2.86Å
446P59.9Low81.2Confident54 Ų5437 Ų3735%0.35120%0.203SC..  trans-76.861.3174.633.3-37.5000111.3P372P372-P446 WeakPolarHBondContact O-CD 3.37Å
447A55.8Low81.1Confident48 Ų4839.3 Ų39.340%0.39721%0.212SC..  trans-70.5161.6163.400000109.8T445 L450T445-A447 PolarHBondContact O-N 2.86Å; A447-L450 PolarHBondContact O-N 3.03Å
448N61.4Low80.6Confident134 Ų13439.8 Ų39.872%0.71722%0.215SC*.THydrogen-bonded Turntrans-80.8131.6175.1-75.8-5.3000109.7P366P366-N448 WeakPolarHBondContact CB-OD1 3.37Å; P366-N448 WeakPolarHBondContact CG-OD1 3.15Å
449P60.8Low79.6Confident78 Ų7841.9 Ų41.951%0.50623%0.226SC..THydrogen-bonded Turncis-125.885.312.233.9-13.5000113.6S396 L451S396-P449 CarbonylContact C-O 3.49Å; S396-P449 WeakPolarHBondContact CB-O 3.48Å; S396-P449 PolarHBondContact OG-O 2.97Å; P449-L451 PolarHBondContact O-N 2.91Å; P449-L451 VanDerWaalsContact O-N 3.13Å
450L73.4Confident78.7Confident7 Ų742.5 Ų42.54%0.03723%0.231CC..  trans-64.3114.5165.3177.168000110.9L374 S396 L397 D402 L441 A447L374-L450 HydrophobicContact CD2-CD2 3.54Å; S396-L450 WeakPolarHBondContact O-CA 3.24Å; L397-L450 HydrophobicContact CD2-CD1 3.91Å; D402-L450 HydrophobicContact CB-CD1 4.41Å; D402-L450 VanDerWaalsContact OD2-CD1 3.31Å; D402-L450 WeakPolarHBondContact OD2-CD1 3.39Å; L441-L450 HydrophobicContact CD1-CD1 4.21Å; L441-L450 HydrophobicContact CD2-CD1 4.26Å; A447-L450 PolarHBondContact O-N 3.03Å
451L80.6Confident78Confident60 Ų6041.9 Ų41.931%0.31423%0.228SC..EExtended strand (participates in β ladder)trans-147.6108.3178.3-179.562.7000112.6R394 V395 S396 P449R394-L451 HydrophobicContact CB-CD2 4.01Å; R394-L451 HydrophobicContact CB-CG 4.23Å; V395-L451 CarbonylContact C-O 3.58Å; V395-L451 VanDerWaalsContact CA-O 3.26Å; V395-L451 WeakPolarHBondContact CA-O 3.25Å; S396-L451 PolarHBondContact N-O 2.93Å; S396-L451 PolarHBondContact O-N 2.95Å; P449-L451 PolarHBondContact O-N 2.91Å; P449-L451 VanDerWaalsContact O-N 3.13Å
452L87.4Confident77.2Confident1 Ų142.3 Ų42.31%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-104.1126.8165.7179.160.7000110.1V362 S363 W378 V395 L404 L441 L454V362-L452 CarbonylContact C-O 3.58Å; V362-L452 VanDerWaalsContact CA-O 3.25Å; V362-L452 WeakPolarHBondContact CA-O 3.4Å; S363-L452 PolarHBondContact N-O 2.92Å; S363-L452 PolarHBondContact OG-N 3.16Å; W378-L452 HydrophobicContact CH2-CD2 3.97Å; W378-L452 HydrophobicContact CZ3-CD2 3.85Å; V395-L452 HydrophobicContact CG2-CD1 3.91Å; L404-L452 HydrophobicContact CD1-CD2 3.98Å; L404-L452 HydrophobicContact CD2-CD1 3.86Å; L441-L452 HydrophobicContact CB-CD2 4.47Å; L441-L452 HydrophobicContact CD2-CB 4.05Å; L441-L452 HydrophobicContact CD2-CD2 4.1Å; L452-L454 HydrophobicContact CD1-CB 4.13Å
453S89.3Confident76.8Confident7 Ų743.6 Ų43.65%0.04924%0.237CC..EExtended strand (participates in β ladder)trans-138.8112.6164.2-157.90000109.6R360 V362 E393 R394R360-S453 PolarHBondContact NH1-OG 2.87Å; V362-S453 WeakPolarHBondContact CG1-OG 3.14Å; E393-S453 PolarHBondContact N-O 3.17Å; R394-S453 PolarHBondContact N-O 2.86Å; R394-S453 VanDerWaalsContact N-O 3.08Å; R394-S453 PolarHBondContact O-N 3.19Å
454L90.3Very high76.7Confident0 Ų045.2 Ų45.20%025%0.245CC..EExtended strand (participates in β ladder)trans-132.1121.6-171-177.3157.1000108.9R360 I361 L390 H391 F392 L452R360-L454 CarbonylContact C-O 3.35Å; R360-L454 VanDerWaalsContact CA-O 3.28Å; R360-L454 WeakPolarHBondContact CA-O 3.36Å; R360-L454 WeakPolarHBondContact CG-O 3.37Å; I361-L454 HydrophobicContact CD1-CB 4.46Å; I361-L454 HydrophobicContact CD1-CD2 4.19Å; I361-L454 HydrophobicContact CG1-CB 3.9Å; I361-L454 HydrophobicContact CG1-CD2 4.02Å; I361-L454 HydrophobicContact CG1-CG 4.47Å; I361-L454 PolarHBondContact N-O 2.6Å; I361-L454 PolarHBondContact O-N 2.04Å; L390-L454 HydrophobicContact CB-CD1 4.25Å; L390-L454 HydrophobicContact CB-CD2 3.88Å; L390-L454 HydrophobicContact CB-CG 4.34Å; L390-L454 HydrophobicContact CD1-CD1 4.04Å; L390-L454 HydrophobicContact CD1-CD2 4.06Å; L390-L454 HydrophobicContact CD2-CD2 3.85Å; L390-L454 HydrophobicContact CG-CD2 4.13Å; H391-L454 WeakPolarHBondContact O-CA 3.47Å; F392-L454 HydrophobicContact CD1-CD1 3.73Å; F392-L454 HydrophobicContact CD1-CG 4.49Å; F392-L454 HydrophobicContact CE1-CD1 3.6Å; F392-L454 HydrophobicContact CZ-CD1 4.28Å; L452-L454 HydrophobicContact CD1-CB 4.13Å
455R90.8Very high77Confident89 Ų8942.9 Ų42.934%0.33624%0.244SC..EExtended strand (participates in β ladder)trans-85.7146.3170.263.5165.5179.4-86.6-8.1110G359 H391 E393G359-R455 CarbonylContact O-C 3.55Å; G359-R455 WeakPolarHBondContact O-CA 3.36Å; H391-R455 HydrophobicContact CB-CG 3.63Å; H391-R455 VanDerWaalsContact CB-CZ 3.44Å; H391-R455 VanDerWaalsContact CB-NE 3.34Å; H391-R455 VanDerWaalsContact CB-NH2 3.33Å; H391-R455 VanDerWaalsContact CG-NH2 3.34Å; H391-R455 PolarHBondContact N-O 2.88Å; H391-R455 PolarHBondContact ND1-NE 2.85Å; H391-R455 PolarHBondContact ND1-NH2 3.02Å; H391-R455 PolarHBondContact O-N 3.06Å; E393-R455 VanDerWaalsContact CD-NH1 3.26Å; E393-R455 HydrophobicContact CG-CG 4.32Å; E393-R455 VanDerWaalsContact OE1-CD 3.25Å; E393-R455 WeakPolarHBondContact OE1-CD 3.38Å; E393-R455 WeakPolarHBondContact OE1-CG 3.46Å; E393-R455 IonicContact OE1-CZ 3.99Å; E393-R455 IonicContact OE1-NE 2.7Å; E393-R455 IonicContact OE1-NH1 2.71Å; E393-R455 PolarHBondContact OE1-NH1 2.82Å
456F90.8Very high77.5Confident6 Ų646.1 Ų46.13%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-128.2139.7172.862.7-97.7000110.6I353 A356 L358 G359 R360 I361 I380 L388 H389 L390I353-F456 HydrophobicContact CD1-CE1 3.66Å; I353-F456 HydrophobicContact CD1-CZ 3.66Å; I353-F456 HydrophobicContact CG2-CE2 4.36Å; I353-F456 HydrophobicContact CG2-CZ 3.98Å; A356-F456 HydrophobicContact CB-CD2 4.24Å; A356-F456 HydrophobicContact CB-CE2 3.83Å; L358-F456 CarbonylContact C-O 3.54Å; L358-F456 WeakPolarHBondContact CA-O 3.12Å; G359-F456 VanDerWaalsContact C-CE1 3.46Å; G359-F456 VanDerWaalsContact CA-CZ 3.48Å; G359-F456 PolarHBondContact N-O 2.76Å; G359-F456 PolarHBondContact O-N 3.06Å; R360-F456 VanDerWaalsContact N-CE1 3.33Å; I361-F456 HydrophobicContact CG2-CD1 4.36Å; I361-F456 HydrophobicContact CG2-CE1 4.07Å; I380-F456 HydrophobicContact CD1-CB 4.47Å; I380-F456 HydrophobicContact CD1-CD1 3.93Å; I380-F456 HydrophobicContact CD1-CE1 4.41Å; I380-F456 HydrophobicContact CD1-CG 4.21Å; I380-F456 HydrophobicContact CG2-CD2 4.07Å; I380-F456 HydrophobicContact CG2-CE2 4.2Å; I380-F456 HydrophobicContact CG2-CG 4.34Å; L388-F456 HydrophobicContact CD2-CD2 4.42Å; H389-F456 WeakPolarHBondContact O-CA 3.47Å; L390-F456 HydrophobicContact CD2-CB 3.59Å
457E86.5Confident78.3Confident65 Ų6546.9 Ų46.930%0.30426%0.259SS..EExtended strand (participates in β ladder)trans-129.5142.6172.966.3-171.3168.400110.3L358 L388 H389 H391 M459L358-E457 HydrophobicContact CD1-CB 3.92Å; L388-E457 WeakPolarHBondContact CA-O 3.33Å; H389-E457 HydrophobicContact CB-CG 3.79Å; H389-E457 IonicContact CE1-OE1 3.43Å; H389-E457 IonicContact CG-OE1 3.71Å; H389-E457 PolarHBondContact N-O 2.95Å; H389-E457 IonicContact ND1-OE1 2.7Å; H389-E457 PolarHBondContact ND1-OE1 2.96Å; H389-E457 PolarHBondContact O-N 2.79Å; H391-E457 IonicContact CD2-OE1 3.65Å; H391-E457 IonicContact CE1-OE1 3.26Å; H391-E457 PolarHBondContact CE1-OE1 2.81Å; H391-E457 VanDerWaalsContact NE2-CD 3.35Å; H391-E457 IonicContact NE2-OE1 3.44Å; H391-E457 PolarHBondContact NE2-OE1 2.91Å; E457-M459 HydrophobicContact CG-CG 4.05Å; E457-M459 PolarHBondContact O-N 3.22Å
458A82Confident79.8Confident9 Ų947.5 Ų47.57%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-9685-178.700000111.1A356 T357 A382 R386 R387 L388A356-A458 WeakPolarHBondContact O-CB 3.14Å; T357-A458 PolarHBondContact O-N 2.97Å; A382-A458 HydrophobicContact CB-CB 3.97Å; R386-A458 HydrophobicContact CB-CB 4.46Å; R386-A458 PolarHBondContact NH1-O 3.28Å; R387-A458 CarbonylContact O-C 3.54Å; R387-A458 VanDerWaalsContact O-CA 3.22Å; R387-A458 WeakPolarHBondContact O-CA 3.02Å; L388-A458 HydrophobicContact CD2-CB 4.29Å
459M71.3Confident80.8Confident60 Ų6042.2 Ų42.230%0.29624%0.242SC..EExtended strand (participates in β ladder)trans-67.1145.2178.4-54.7-159.6-50.800111.5R386 R387 H389 I431 E457R386-M459 CarbonylContact C-O 3.57Å; R386-M459 VanDerWaalsContact CA-O 3.27Å; R386-M459 WeakPolarHBondContact CA-O 3.39Å; R386-M459 WeakPolarHBondContact CB-O 3Å; R387-M459 PolarHBondContact N-O 3.26Å; R387-M459 PolarHBondContact O-N 3.18Å; H389-M459 HydrophobicContact CB-CE 3.92Å; H389-M459 HydrophobicContact CB-CG 3.84Å; H389-M459 HydrophobicContact CB-SD 3.8Å; I431-M459 HydrophobicContact CD1-CE 3.94Å; I431-M459 HydrophobicContact CG1-CE 4.07Å; I431-M459 HydrophobicContact CG2-CE 4.09Å; E457-M459 HydrophobicContact CG-CG 4.05Å; E457-M459 PolarHBondContact O-N 3.22Å
460C75Confident82Confident14 Ų1441.8 Ų41.810%0.09524%0.237CC..EExtended strand (participates in β ladder)trans-70.1128167.646.90000110.6P474 C486 V487 W488C460-P474 HydrophobicContact CB-CB 4.41Å; C460-P474 HydrophobicContact CB-CG 3.78Å; C460-C486 HydrophobicContact CB-CB 3.62Å; C460-C486 WeakPolarHBondContact CB-SG 3.47Å; C460-C486 VanDerWaalsContact O-CA 3.25Å; C460-C486 WeakPolarHBondContact O-CA 3.32Å; C460-C486 WeakPolarHBondContact O-CB 2.99Å; C460-C486 VanDerWaalsContact SG-CA 3.53Å; C460-C486 WeakPolarHBondContact SG-CB 3.09Å; C460-C486 CovalentContact SG-SG 2.02Å; C460-C486 PolarHBondContact SG-SG 2.86Å; C460-V487 PolarHBondContact O-N 3.49Å; C460-W488 HydrophobicContact CB-CZ2 4.28Å
461G75.9Confident82.6Confident0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans146.5174.3-173.900000112.5G385 R386 R387 V487 W488G385-G461 CarbonylContact C-O 3.59Å; G385-G461 PolarHBondContact O-N 3.34Å; R386-G461 CarbonylContact C-O 3.46Å; R387-G461 PolarHBondContact N-O 2.89Å; G461-V487 WeakPolarHBondContact CA-O 3.46Å; G461-W488 VanDerWaalsContact C-CD1 3.43Å; G461-W488 VanDerWaalsContact CA-CD1 3.49Å
462G74.3Confident82.8Confident8 Ų841.9 Ų41.98%0.08224%0.238CC..EExtended strand (participates in β ladder)trans172.1162176.500000112.4R387 V487 W488 G489R387-G462 VanDerWaalsContact NH1-C 3.28Å; R387-G462 PolarHBondContact NH1-O 2.85Å; G462-V487 PolarHBondContact N-O 2.81Å; G462-W488 CarbonylContact O-C 3.57Å; G462-W488 VanDerWaalsContact O-CA 3.26Å; G462-W488 WeakPolarHBondContact O-CA 3.45Å; G462-G489 PolarHBondContact O-N 3.37Å
463E78.2Confident82.7Confident78 Ų7842.1 Ų42.136%0.36424%0.24SC..EExtended strand (participates in β ladder)trans-89.5133.8155.3-77.5-32.4109.900109.3R387 G489R387-E463 IonicContact CZ-OE1 3.08Å; R387-E463 IonicContact NH1-OE1 3.74Å; R387-E463 PolarHBondContact NH1-OE1 3Å; R387-E463 VanDerWaalsContact NH2-CG 3.3Å; R387-E463 IonicContact NH2-OE1 3.48Å; R387-E463 PolarHBondContact NH2-OE1 2.83Å; E463-G489 VanDerWaalsContact OE2-C 3.27Å; E463-G489 WeakPolarHBondContact OE2-CA 3.41Å
464L81.6Confident82.2Confident36 Ų3642.1 Ų42.119%0.18824%0.239CC..EExtended strand (participates in β ladder)trans-12291.5-174.3-61176.4000109.6V471 W488 G489 V490 H491 F568L464-V471 HydrophobicContact CD1-CG2 3.62Å; L464-W488 HydrophobicContact CD1-CB 4.35Å; L464-G489 PolarHBondContact N-O 2.97Å; L464-V490 HydrophobicContact CB-CB 4.49Å; L464-V490 HydrophobicContact CB-CG1 4.27Å; L464-V490 HydrophobicContact CB-CG2 4.26Å; L464-V490 HydrophobicContact CD1-CG2 4.22Å; L464-V490 WeakPolarHBondContact O-CA 3.4Å; L464-H491 PolarHBondContact O-N 3.01Å; L464-H491 VanDerWaalsContact O-N 3.08Å; L464-F568 HydrophobicContact CB-CE1 4.28Å; L464-F568 HydrophobicContact CB-CZ 3.86Å; L464-F568 HydrophobicContact CD1-CE1 3.98Å; L464-F568 HydrophobicContact CD1-CZ 4.42Å
465S84.2Confident81.4Confident86 Ų8644.4 Ų44.460%0.60125%0.252SS*.  trans-95.18.1-176.4-44.20000114.8H491S465-H491 WeakPolarHBondContact CA-O 3.2Å
466E78Confident80.6Confident128 Ų12843.9 Ų43.960%0.59825%0.25SC*.SBendtrans-76.4148.7-179.9-67.9-62.8153.900111.7A468 F568E466-A468 PolarHBondContact O-N 2.94Å; E466-F568 WeakPolarHBondContact O-CE2 3.29Å
467P77.3Confident79.7Confident70 Ų7048.4 Ų48.446%0.45528%0.28SS..SBendtrans-67.7-17.8177.928.7-35.2000113K569 E570P467-K569 CarbonylContact O-C 3.58Å; P467-K569 WeakPolarHBondContact O-CA 3.46Å; P467-E570 HydrophobicContact CB-CG 4.02Å; P467-E570 PolarHBondContact O-N 2.88Å
468A85.9Confident79.1Confident61 Ų6152 Ų5250%0.50430%0.296SS..EExtended strand (participates in β ladder)trans-156.1149.9168.300000110.9E466 F568 K569E466-A468 PolarHBondContact O-N 2.94Å; A468-F568 WeakPolarHBondContact CA-O 3.03Å; A468-K569 HydrophobicContact CB-CB 3.8Å
469G84.1Confident78.9Confident23 Ų2354.3 Ų54.324%0.23731%0.312CS..EExtended strand (participates in β ladder)trans-171.2-167.6178.800000113.8H567 F568G469-H567 WeakPolarHBondContact O-CA 3.28Å; G469-F568 VanDerWaalsContact C-CD1 3.41Å; G469-F568 PolarHBondContact N-O 2.87Å; G469-F568 WeakPolarHBondContact O-CD1 3.13Å; G469-F568 PolarHBondContact O-N 3.19Å
470V84.9Confident79.3Confident69 Ų6951.5 Ų51.542%0.41830%0.298SS..EExtended strand (participates in β ladder)trans-132134.1-177.7-163.70000109.5L472 V565 L566V470-L472 HydrophobicContact CG1-CD2 3.75Å; V470-L472 HydrophobicContact CG1-CG 4.25Å; V470-V565 HydrophobicContact CG1-CG1 3.77Å; V470-L566 CarbonylContact C-O 3.51Å; V470-L566 WeakPolarHBondContact CA-O 3.33Å
471V87.3Confident79.5Confident2 Ų253.4 Ų53.41%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-108.7124.2169.9-168.60000107.9L464 W488 L547 F564 L566 F568L464-V471 HydrophobicContact CD1-CG2 3.62Å; V471-W488 HydrophobicContact CG1-CB 4.47Å; V471-W488 HydrophobicContact CG1-CD2 3.57Å; V471-W488 HydrophobicContact CG1-CE3 4.02Å; V471-W488 HydrophobicContact CG1-CG 3.79Å; V471-W488 HydrophobicContact CG1-CZ2 4.2Å; V471-W488 HydrophobicContact CG1-CZ3 4.5Å; V471-L547 HydrophobicContact CB-CD1 4.17Å; V471-L547 HydrophobicContact CG1-CD1 4.07Å; V471-L547 HydrophobicContact CG2-CD1 3.8Å; V471-F564 HydrophobicContact CG1-CE2 4.43Å; V471-L566 HydrophobicContact CB-CB 4.29Å; V471-L566 HydrophobicContact CB-CD1 4.32Å; V471-L566 PolarHBondContact N-O 2.55Å; V471-L566 PolarHBondContact O-N 2.92Å; V471-F568 HydrophobicContact CG2-CD1 3.99Å; V471-F568 HydrophobicContact CG2-CE1 4.25Å
472L83.8Confident79.6Confident68 Ų6855.4 Ų55.436%0.35633%0.325SS..EExtended strand (participates in β ladder)trans-111.7150.9-176.2-59.4174.7000109.6V470 W476 W488 V565V470-L472 HydrophobicContact CG1-CD2 3.75Å; V470-L472 HydrophobicContact CG1-CG 4.25Å; L472-W476 HydrophobicContact CB-CB 4.12Å; L472-W476 HydrophobicContact CB-CG 4.31Å; L472-W476 HydrophobicContact CD1-CG 4.42Å; L472-W476 HydrophobicContact CD2-CD2 4.5Å; L472-W476 HydrophobicContact CD2-CG 4.19Å; L472-W488 WeakPolarHBondContact O-CZ2 3.38Å; L472-V565 HydrophobicContact CD2-CB 4.26Å; L472-V565 HydrophobicContact CD2-CG1 3.95Å; L472-V565 HydrophobicContact CD2-CG2 3.84Å
473S85.9Confident79.7Confident5 Ų557.1 Ų57.14%0.03534%0.343CS..  trans-64.1157.5166.551.80000111.5W476 G563 F564S473-W476 WeakPolarHBondContact O-CB 3.16Å; S473-W476 PolarHBondContact O-N 2.81Å; S473-G563 WeakPolarHBondContact OG-CA 3.45Å; S473-F564 PolarHBondContact N-O 3.01Å; S473-F564 PolarHBondContact OG-N 2.74Å
474P78.8Confident79.9Confident7 Ų755.2 Ų55.25%0.04533%0.334CS..THydrogen-bonded Turntrans-50.4145.3171.2-25.534.7000111.9C460 W476 Y480 Q484 C486 F549C460-P474 HydrophobicContact CB-CB 4.41Å; C460-P474 HydrophobicContact CB-CG 3.78Å; P474-W476 PolarHBondContact O-N 3.04Å; P474-Y480 WeakPolarHBondContact O-CA 3.26Å; P474-Y480 WeakPolarHBondContact O-CB 3.25Å; P474-Q484 HydrophobicContact CG-CG 4.15Å; P474-C486 WeakPolarHBondContact CG-SG 3.44Å; P474-F549 HydrophobicContact CG-CD1 4.32Å; P474-F549 HydrophobicContact CG-CE1 4.44Å
475D72.6Confident80Confident49 Ų4957.8 Ų57.826%0.26235%0.348SS..THydrogen-bonded Turntrans60.56.4174.7-44.2-38.7000115.9R386 Q478 S481R386-D475 IonicContact CZ-OD1 2.7Å; R386-D475 IonicContact NH2-OD1 3.86Å; R386-D475 PolarHBondContact NH2-OD1 2.77Å; D475-Q478 WeakPolarHBondContact O-CA 3.26Å; D475-Q478 VanDerWaalsContact O-CB 3.28Å; D475-Q478 WeakPolarHBondContact O-CB 3.32Å; D475-Q478 PolarHBondContact O-N 3.27Å; D475-S481 WeakPolarHBondContact OD2-CB 3.37Å; D475-S481 PolarHBondContact OD2-N 3.01Å; D475-S481 VanDerWaalsContact OD2-N 3.16Å; D475-S481 PolarHBondContact OD2-OG 2.82Å
476W74.4Confident80.1Confident78 Ų7853.7 Ų53.730%0.29532%0.319SS..THydrogen-bonded Turntrans-52.7134.6177.3179.1-82.7000111.9L472 S473 P474 I504 Q562 V565L472-W476 HydrophobicContact CB-CB 4.12Å; L472-W476 HydrophobicContact CB-CG 4.31Å; L472-W476 HydrophobicContact CD1-CG 4.42Å; L472-W476 HydrophobicContact CD2-CD2 4.5Å; L472-W476 HydrophobicContact CD2-CG 4.19Å; S473-W476 WeakPolarHBondContact O-CB 3.16Å; S473-W476 PolarHBondContact O-N 2.81Å; P474-W476 PolarHBondContact O-N 3.04Å; W476-I504 HydrophobicContact CH2-CD1 3.62Å; W476-I504 HydrophobicContact CH2-CG2 4.33Å; W476-I504 HydrophobicContact CZ2-CD1 4.16Å; W476-I504 HydrophobicContact CZ3-CG2 4.38Å; W476-Q562 WeakPolarHBondContact CZ3-O 3.36Å; W476-V565 HydrophobicContact CD2-CG2 3.98Å; W476-V565 HydrophobicContact CE3-CG2 4.02Å; W476-V565 HydrophobicContact CH2-CG2 3.5Å; W476-V565 VanDerWaalsContact CH2-CG2 3.5Å; W476-V565 HydrophobicContact CZ2-CG2 3.39Å; W476-V565 HydrophobicContact CZ3-CG2 3.79Å
477P71.6Confident80.5Confident101 Ų10149.8 Ų49.866%0.65630%0.304SS*.THydrogen-bonded Turncis-879.411.836.2-38.4000115.5
478Q74.4Confident81.1Confident139 Ų13946.8 Ų46.865%0.6528%0.283SS*.SBendtrans-78.2165.2170.2-54.5-63.6-10.100110.9D475 Y480D475-Q478 WeakPolarHBondContact O-CA 3.26Å; D475-Q478 VanDerWaalsContact O-CB 3.28Å; D475-Q478 WeakPolarHBondContact O-CB 3.32Å; D475-Q478 PolarHBondContact O-N 3.27Å; Q478-Y480 PolarHBondContact O-N 3.29Å
479S77.7Confident81.2Confident58 Ų5844.1 Ų44.141%0.40626%0.261SS..PPolyproline II helixtrans-64.2131.1170.5-54.40000110.1G561S479-G561 WeakPolarHBondContact CA-O 3.27Å; S479-G561 WeakPolarHBondContact CB-O 3.36Å; S479-G561 PolarHBondContact OG-O 2.83Å
480Y80.3Confident81.6Confident2 Ų243.1 Ų43.11%0.00825%0.251CS..PPolyproline II helixtrans-58.9140.7176.958.6-90.1000112.3P474 Q478 R508 D511 F549 A551P474-Y480 WeakPolarHBondContact O-CA 3.26Å; P474-Y480 WeakPolarHBondContact O-CB 3.25Å; Q478-Y480 PolarHBondContact O-N 3.29Å; Y480-R508 WeakPolarHBondContact OH-CG 3.46Å; Y480-R508 PolarHBondContact OH-N 3.26Å; Y480-D511 WeakPolarHBondContact CE2-OD2 3.38Å; Y480-D511 VanDerWaalsContact CZ-OD2 3.25Å; Y480-D511 PolarHBondContact OH-OD2 3.07Å; Y480-F549 HydrophobicContact CD1-CZ 4.36Å; Y480-F549 AromaticContact CD2-CE1 3.84Å; Y480-F549 HydrophobicContact CD2-CE1 3.84Å; Y480-F549 AromaticContact CD2-CZ 3.77Å; Y480-F549 HydrophobicContact CD2-CZ 3.77Å; Y480-F549 HydrophobicContact CE1-CZ 4.17Å; Y480-F549 HydrophobicContact CE2-CE1 4.11Å; Y480-F549 AromaticContact CE2-CZ 3.56Å; Y480-F549 HydrophobicContact CE2-CZ 3.56Å; Y480-F549 HydrophobicContact CG-CE1 4.1Å; Y480-F549 HydrophobicContact CG-CZ 4.17Å; Y480-F549 AromaticContact CZ-CZ 3.75Å; Y480-A551 HydrophobicContact CD2-CB 4.26Å; Y480-A551 HydrophobicContact CE2-CB 3.94Å
481S77.8Confident81.8Confident54 Ų5443.7 Ų43.738%0.37825%0.249SC..PPolyproline II helixtrans-61.1154.8173.5-61.10000112.2D475 Q484D475-S481 WeakPolarHBondContact OD2-CB 3.37Å; D475-S481 PolarHBondContact OD2-N 3.01Å; D475-S481 VanDerWaalsContact OD2-N 3.16Å; D475-S481 PolarHBondContact OD2-OG 2.82Å; S481-Q484 WeakPolarHBondContact O-CG 3.17Å
482P78.7Confident82Confident42 Ų4243.9 Ų43.927%0.27325%0.25SS..SBendtrans-70.3169.6170.430.9-34.4000111.6Q484 G554P482-Q484 PolarHBondContact O-NE2 3.38Å; P482-Q484 VanDerWaalsContact O-NE2 3.16Å; P482-G554 WeakPolarHBondContact CG-O 3.42Å
483G77Confident82Confident44 Ų4445.8 Ų45.845%0.45426%0.257SS..SBendtrans69.536.1174.200000115.1A551 P552G483-A551 CarbonylContact C-O 3.57Å; G483-A551 WeakPolarHBondContact CA-O 3.38Å; G483-A551 PolarHBondContact N-O 2.93Å; G483-P552 PolarHBondContact N-O 3.08Å; G483-P552 VanDerWaalsContact N-O 3.1Å
484Q81.4Confident81.8Confident37 Ų3753 Ų5317%0.17329%0.291CS..EExtended strand (participates in β ladder)trans-97.1137.8-179.5-51-67.2-7000110.8P474 S481 P482 F549 Q550 A551P474-Q484 HydrophobicContact CG-CG 4.15Å; S481-Q484 WeakPolarHBondContact O-CG 3.17Å; P482-Q484 PolarHBondContact O-NE2 3.38Å; P482-Q484 VanDerWaalsContact O-NE2 3.16Å; Q484-F549 HydrophobicContact CB-CD1 4.39Å; Q484-F549 HydrophobicContact CB-CE1 4.31Å; Q484-Q550 WeakPolarHBondContact O-CA 3.4Å; Q484-A551 HydrophobicContact CB-CB 4.19Å; Q484-A551 HydrophobicContact CG-CB 4.43Å; Q484-A551 PolarHBondContact N-O 2.78Å; Q484-A551 PolarHBondContact O-N 3.15Å
485D84.7Confident81.6Confident91 Ų9158.8 Ų58.849%0.48732%0.317SS..EExtended strand (participates in β ladder)trans-134.488.8160.1-166.21000108.4Q548 F549 Q550D485-Q548 WeakPolarHBondContact OD1-CG 3.29Å; D485-Q548 PolarHBondContact OD1-NE2 3.39Å; D485-Q548 PolarHBondContact OD2-NE2 2.03Å; D485-F549 CarbonylContact C-O 3.59Å; D485-F549 WeakPolarHBondContact CA-O 3.44Å; D485-Q550 HydrophobicContact CB-CG 4.42Å; D485-Q550 VanDerWaalsContact OD1-CG 3.23Å; D485-Q550 WeakPolarHBondContact OD1-CG 3.26Å; D485-Q550 PolarHBondContact OD1-NE2 2.73Å; D485-Q550 PolarHBondContact OD2-NE2 3.17Å
486C85Confident82.2Confident0 Ų058.5 Ų58.50%031%0.313CS..EExtended strand (participates in β ladder)trans-95.6136.7-173.8-45.30000110.7C460 P474 W488 Q548 F549C460-C486 HydrophobicContact CB-CB 3.62Å; C460-C486 WeakPolarHBondContact CB-SG 3.47Å; C460-C486 VanDerWaalsContact O-CA 3.25Å; C460-C486 WeakPolarHBondContact O-CA 3.32Å; C460-C486 WeakPolarHBondContact O-CB 2.99Å; C460-C486 VanDerWaalsContact SG-CA 3.53Å; C460-C486 WeakPolarHBondContact SG-CB 3.09Å; C460-C486 CovalentContact SG-SG 2.02Å; C460-C486 PolarHBondContact SG-SG 2.86Å; P474-C486 WeakPolarHBondContact CG-SG 3.44Å; C486-W488 HydrophobicContact CB-CE3 4.19Å; C486-W488 HydrophobicContact CB-CH2 3.29Å; C486-W488 HydrophobicContact CB-CZ2 3.93Å; C486-W488 HydrophobicContact CB-CZ3 3.44Å; C486-W488 VanDerWaalsContact CB-CZ3 3.44Å; C486-Q548 CarbonylContact O-C 3.58Å; C486-Q548 VanDerWaalsContact O-CA 3.24Å; C486-Q548 WeakPolarHBondContact O-CA 3.38Å; C486-F549 HydrophobicContact CB-CB 4.19Å; C486-F549 PolarHBondContact N-O 2.82Å; C486-F549 PolarHBondContact O-N 3.08Å
487V87.6Confident82.9Confident46 Ų4655.5 Ų55.528%0.27930%0.302SS..EExtended strand (participates in β ladder)trans-129.6120.9174.4-174.80000111.3R387 C460 G461 G462 T546 L547 Q548R387-V487 PolarHBondContact NH1-O 2.92Å; C460-V487 PolarHBondContact O-N 3.49Å; G461-V487 WeakPolarHBondContact CA-O 3.46Å; G462-V487 PolarHBondContact N-O 2.81Å; V487-T546 HydrophobicContact CG1-CG2 3.86Å; V487-L547 WeakPolarHBondContact CA-O 3.31Å; V487-Q548 HydrophobicContact CG2-CB 4.37Å; V487-Q548 HydrophobicContact CG2-CG 4.01Å
488W88.8Confident83.9Confident7 Ų750.7 Ų50.73%0.02727%0.27CS..EExtended strand (participates in β ladder)trans-111.9122.9169.8-55.1-96.5000109.6C460 G461 G462 L464 V471 L472 C486 L547 F549 F564C460-W488 HydrophobicContact CB-CZ2 4.28Å; G461-W488 VanDerWaalsContact C-CD1 3.43Å; G461-W488 VanDerWaalsContact CA-CD1 3.49Å; G462-W488 CarbonylContact O-C 3.57Å; G462-W488 VanDerWaalsContact O-CA 3.26Å; G462-W488 WeakPolarHBondContact O-CA 3.45Å; L464-W488 HydrophobicContact CD1-CB 4.35Å; V471-W488 HydrophobicContact CG1-CB 4.47Å; V471-W488 HydrophobicContact CG1-CD2 3.57Å; V471-W488 HydrophobicContact CG1-CE3 4.02Å; V471-W488 HydrophobicContact CG1-CG 3.79Å; V471-W488 HydrophobicContact CG1-CZ2 4.2Å; V471-W488 HydrophobicContact CG1-CZ3 4.5Å; L472-W488 WeakPolarHBondContact O-CZ2 3.38Å; C486-W488 HydrophobicContact CB-CE3 4.19Å; C486-W488 HydrophobicContact CB-CH2 3.29Å; C486-W488 HydrophobicContact CB-CZ2 3.93Å; C486-W488 HydrophobicContact CB-CZ3 3.44Å; C486-W488 VanDerWaalsContact CB-CZ3 3.44Å; W488-L547 HydrophobicContact CB-CB 4.36Å; W488-L547 HydrophobicContact CE3-CB 4.17Å; W488-L547 PolarHBondContact N-O 3.2Å; W488-L547 PolarHBondContact O-N 2.82Å; W488-F549 HydrophobicContact CH2-CB 4.24Å; W488-F549 HydrophobicContact CZ3-CB 3.83Å; W488-F564 HydrophobicContact CH2-CE2 4.27Å; W488-F564 AromaticContact CH2-CZ 3.74Å; W488-F564 HydrophobicContact CH2-CZ 3.74Å; W488-F564 HydrophobicContact CZ3-CE2 4.48Å; W488-F564 AromaticContact CZ3-CZ 3.94Å; W488-F564 HydrophobicContact CZ3-CZ 3.94Å
489G89.1Confident84.8Confident4 Ų445.8 Ų45.84%0.04125%0.249CC..EExtended strand (participates in β ladder)trans-87.9144.3160.500000109.4G462 E463 L464G462-G489 PolarHBondContact O-N 3.37Å; E463-G489 VanDerWaalsContact OE2-C 3.27Å; E463-G489 WeakPolarHBondContact OE2-CA 3.41Å; L464-G489 PolarHBondContact N-O 2.97Å
490V90.8Very high85.5Confident3 Ų343.1 Ų43.12%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-129.1124.7175.4-168.90000106.9L464 I498 D544 L545 L547 F568L464-V490 HydrophobicContact CB-CB 4.49Å; L464-V490 HydrophobicContact CB-CG1 4.27Å; L464-V490 HydrophobicContact CB-CG2 4.26Å; L464-V490 HydrophobicContact CD1-CG2 4.22Å; L464-V490 WeakPolarHBondContact O-CA 3.4Å; V490-I498 HydrophobicContact CB-CD1 3.83Å; V490-I498 HydrophobicContact CG1-CD1 3.64Å; V490-I498 HydrophobicContact CG1-CG1 4.47Å; V490-I498 HydrophobicContact CG1-CG2 4.4Å; V490-I498 VanDerWaalsContact O-CD1 3.23Å; V490-I498 WeakPolarHBondContact O-CD1 3.09Å; V490-D544 WeakPolarHBondContact O-CA 3.4Å; V490-L545 HydrophobicContact CB-CB 4.36Å; V490-L545 WeakPolarHBondContact CB-O 2.95Å; V490-L545 PolarHBondContact N-O 3.05Å; V490-L545 PolarHBondContact O-N 3.06Å; V490-L547 HydrophobicContact CG2-CD1 4.27Å; V490-F568 HydrophobicContact CG1-CD2 3.47Å; V490-F568 VanDerWaalsContact CG1-CD2 3.47Å; V490-F568 HydrophobicContact CG1-CE2 3.55Å; V490-F568 HydrophobicContact CG1-CG 3.99Å; V490-F568 HydrophobicContact CG1-CZ 4.15Å
491H91.1Very high86Confident80 Ų8045.5 Ų45.537%0.3724%0.241SC..EExtended strand (participates in β ladder)trans-132130.2-173.5176.478.2000109.6L464 S465 D544L464-H491 PolarHBondContact O-N 3.01Å; L464-H491 VanDerWaalsContact O-N 3.08Å; S465-H491 WeakPolarHBondContact CA-O 3.2Å; H491-D544 IonicContact CE1-OD1 2.76Å; H491-D544 IonicContact CG-OD1 2.68Å; H491-D544 IonicContact ND1-OD1 3.72Å; H491-D544 PolarHBondContact ND1-OD1 2.87Å
492V90.1Very high86.7Confident7 Ų743.1 Ų43.14%0.04222%0.224CC..  trans-125.1175.4175.5-62.80000110.5K496 I498 P543 E570V492-K496 HydrophobicContact CB-CB 4.41Å; V492-K496 HydrophobicContact CG2-CB 3.74Å; V492-I498 HydrophobicContact CB-CG1 4.43Å; V492-I498 HydrophobicContact CG1-CD1 4.31Å; V492-I498 HydrophobicContact CG1-CG1 3.88Å; V492-I498 HydrophobicContact CG2-CD1 4.28Å; V492-I498 HydrophobicContact CG2-CG1 3.67Å; V492-P543 HydrophobicContact CG2-CB 4.22Å; V492-P543 WeakPolarHBondContact CG2-O 3.35Å; V492-P543 PolarHBondContact N-O 3.44Å; V492-P543 VanDerWaalsContact N-O 3.08Å; V492-P543 VanDerWaalsContact O-CB 3.27Å; V492-P543 WeakPolarHBondContact O-CB 3.35Å; V492-E570 HydrophobicContact CB-CB 4.24Å; V492-E570 HydrophobicContact CG1-CB 4.05Å
493Q84.4Confident87Confident107 Ų10744 Ų4450%0.522%0.224SC..  trans-51.9142.5178.7-61.4167.85.700111.8E495 K496Q493-E495 PolarHBondContact O-N 2.85Å; Q493-K496 HydrophobicContact CB-CG 3.74Å; Q493-K496 VanDerWaalsContact O-CB 3.26Å; Q493-K496 WeakPolarHBondContact O-CB 3.14Å; Q493-K496 WeakPolarHBondContact O-CG 3.41Å; Q493-K496 PolarHBondContact O-N 2.84Å; Q493-K496 VanDerWaalsContact OE1-CE 3.22Å
494E80.6Confident87.4Confident158 Ų15844.4 Ų44.474%0.73822%0.216SC*.THydrogen-bonded Turntrans-55-30.9-168.5-62.7-174.7-171.700114.5K496E494-K496 VanDerWaalsContact C-N 3.32Å; E494-K496 PolarHBondContact O-N 2.04Å
495E76.4Confident87.7Confident127 Ų12743.1 Ų43.159%0.59321%0.21SC*.THydrogen-bonded Turntrans-87.24.9-179.9-43.783.5173.700114.1Q493 R573Q493-E495 PolarHBondContact O-N 2.85Å; E495-R573 WeakPolarHBondContact O-CB 3.02Å
496K84.2Confident87.6Confident43 Ų4340.5 Ų40.519%0.18720%0.196CC..EExtended strand (participates in β ladder)trans-104.4179.7-176.3-53.4-71.1-165.5-85.40112V492 Q493 E494 E570V492-K496 HydrophobicContact CB-CB 4.41Å; V492-K496 HydrophobicContact CG2-CB 3.74Å; Q493-K496 HydrophobicContact CB-CG 3.74Å; Q493-K496 VanDerWaalsContact O-CB 3.26Å; Q493-K496 WeakPolarHBondContact O-CB 3.14Å; Q493-K496 WeakPolarHBondContact O-CG 3.41Å; Q493-K496 PolarHBondContact O-N 2.84Å; Q493-K496 VanDerWaalsContact OE1-CE 3.22Å; E494-K496 VanDerWaalsContact C-N 3.32Å; E494-K496 PolarHBondContact O-N 2.04Å; K496-E570 HydrophobicContact CB-CB 4.34Å; K496-E570 VanDerWaalsContact CE-OE1 3.31Å; K496-E570 WeakPolarHBondContact CE-OE1 3.32Å; K496-E570 HydrophobicContact CG-CB 4.45Å
497R88.9Confident87.6Confident15 Ų1540.6 Ų40.66%0.05720%0.197CC..EExtended strand (participates in β ladder)trans-136159.7167.6-77.3177.8167.2163.71110L539 S540 S541 E570 V571 R573 D575R497-L539 HydrophobicContact CB-CD1 3.99Å; R497-S540 WeakPolarHBondContact CD-O 3.47Å; R497-S540 WeakPolarHBondContact CG-O 3.08Å; R497-S540 PolarHBondContact NE-O 2.75Å; R497-S541 VanDerWaalsContact CZ-O 3.31Å; R497-S541 VanDerWaalsContact NE-C 3.34Å; R497-S541 PolarHBondContact NE-O 3.48Å; R497-S541 PolarHBondContact NH2-O 3.03Å; R497-E570 CarbonylContact O-C 3.58Å; R497-E570 WeakPolarHBondContact O-CA 3.36Å; R497-V571 HydrophobicContact CB-CG2 4.02Å; R497-V571 PolarHBondContact N-O 3.28Å; R497-V571 WeakPolarHBondContact O-CG2 3.39Å; R497-V571 PolarHBondContact O-N 2.65Å; R497-R573 HydrophobicContact CG-CG 4.27Å; R497-D575 IonicContact CZ-OD1 3.99Å; R497-D575 IonicContact CZ-OD2 3.44Å; R497-D575 IonicContact NH1-OD1 2.99Å; R497-D575 PolarHBondContact NH1-OD1 3.17Å; R497-D575 IonicContact NH1-OD2 3.52Å; R497-D575 PolarHBondContact NH1-OD2 2.79Å; R497-D575 VanDerWaalsContact NH2-CG 3.26Å; R497-D575 IonicContact NH2-OD1 3.28Å; R497-D575 PolarHBondContact NH2-OD1 3.15Å; R497-D575 IonicContact NH2-OD2 2.73Å; R497-D575 PolarHBondContact NH2-OD2 2.81Å
498I93Very high87.2Confident0 Ų041.4 Ų41.40%020%0.195CC..EExtended strand (participates in β ladder)trans-99.3117.4176.8-58.7168.7000108.7V490 V492 L539 S540 P543 L545 F568V490-I498 HydrophobicContact CB-CD1 3.83Å; V490-I498 HydrophobicContact CG1-CD1 3.64Å; V490-I498 HydrophobicContact CG1-CG1 4.47Å; V490-I498 HydrophobicContact CG1-CG2 4.4Å; V490-I498 VanDerWaalsContact O-CD1 3.23Å; V490-I498 WeakPolarHBondContact O-CD1 3.09Å; V492-I498 HydrophobicContact CB-CG1 4.43Å; V492-I498 HydrophobicContact CG1-CD1 4.31Å; V492-I498 HydrophobicContact CG1-CG1 3.88Å; V492-I498 HydrophobicContact CG2-CD1 4.28Å; V492-I498 HydrophobicContact CG2-CG1 3.67Å; I498-L539 WeakPolarHBondContact O-CA 3.26Å; I498-S540 PolarHBondContact N-OG 2.89Å; I498-S540 PolarHBondContact O-N 3.08Å; I498-P543 WeakPolarHBondContact CD1-O 3.31Å; I498-L545 HydrophobicContact CB-CB 4.28Å; I498-L545 HydrophobicContact CB-CD2 4.21Å; I498-L545 HydrophobicContact CD1-CB 3.56Å; I498-L545 HydrophobicContact CG1-CB 4.49Å; I498-L545 HydrophobicContact CG2-CB 4.45Å; I498-L545 HydrophobicContact CG2-CD2 3.64Å; I498-F568 HydrophobicContact CG2-CB 3.96Å
499L92.4Very high86.6Confident37 Ų3750.6 Ų50.619%0.19424%0.238CC..EExtended strand (participates in β ladder)trans-94.3104.9168.7175.356.3000108.8R537 L538 L539 K569 V571L499-R537 HydrophobicContact CD1-CB 4Å; L499-R537 HydrophobicContact CD1-CG 4.29Å; L499-L538 WeakPolarHBondContact CD1-O 3.39Å; L499-L539 HydrophobicContact CB-CD1 4.15Å; L499-K569 HydrophobicContact CB-CG 4.34Å; L499-K569 PolarHBondContact N-O 2.92Å; L499-K569 PolarHBondContact O-N 2.79Å; L499-K569 VanDerWaalsContact O-N 3.17Å; L499-V571 HydrophobicContact CB-CB 4.5Å; L499-V571 HydrophobicContact CB-CG1 3.69Å; L499-V571 HydrophobicContact CB-CG2 3.94Å; L499-V571 HydrophobicContact CD2-CG1 3.88Å; L499-V571 HydrophobicContact CG-CG1 4.45Å
500L93.5Very high86Confident2 Ų253.5 Ų53.51%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-90.9131173.9-165.976.4000110.4L515 R537 L538 L545 L547 L566 H567 F568L500-L515 HydrophobicContact CD2-CD2 3.24Å; L500-R537 CarbonylContact O-C 3.48Å; L500-R537 WeakPolarHBondContact O-CA 3.46Å; L500-L538 HydrophobicContact CB-CB 4.5Å; L500-L538 PolarHBondContact N-O 2.59Å; L500-L538 PolarHBondContact O-N 2.93Å; L500-L545 HydrophobicContact CB-CD2 4.22Å; L500-L545 HydrophobicContact CD1-CD2 4.47Å; L500-L545 HydrophobicContact CD2-CD2 4.44Å; L500-L547 HydrophobicContact CD2-CD2 4.06Å; L500-L566 HydrophobicContact CD1-CB 3.92Å; L500-L566 HydrophobicContact CD2-CB 4.46Å; L500-L566 HydrophobicContact CD2-CD1 4.44Å; L500-L566 HydrophobicContact CG-CB 4.34Å; L500-H567 CarbonylContact C-O 3.58Å; L500-H567 WeakPolarHBondContact CA-O 3.21Å; L500-F568 HydrophobicContact CD1-CB 3.66Å
501Q91.4Very high85.8Confident51 Ų5154 Ų5424%0.23827%0.27CS..EExtended strand (participates in β ladder)trans-116.3116.4172.6-177.6176.1-76.900109.9E503 R537 H567Q501-E503 PolarHBondContact O-N 2.84Å; Q501-R537 HydrophobicContact CB-CG 4.23Å; Q501-R537 HydrophobicContact CG-CG 4.17Å; Q501-R537 VanDerWaalsContact OE1-CZ 3.28Å; Q501-H567 PolarHBondContact N-O 3.29Å; Q501-H567 PolarHBondContact O-N 2.86Å
502V90.8Very high85.7Confident4 Ų451.7 Ų51.72%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-74.1109.9170.7-172.90000108.2L505 L529 R535 R536 L566V502-L505 HydrophobicContact CG1-CB 3.74Å; V502-L529 HydrophobicContact CG2-CD1 3.92Å; V502-R535 WeakPolarHBondContact O-CA 3.25Å; V502-R535 WeakPolarHBondContact O-CB 3.25Å; V502-R536 PolarHBondContact N-O 3.05Å; V502-L566 HydrophobicContact CB-CD2 4.32Å; V502-L566 HydrophobicContact CG1-CD2 4.05Å; V502-L566 HydrophobicContact CG2-CD2 4.08Å
503E86.9Confident85.8Confident60 Ų6051.4 Ų51.428%0.2826%0.258SS..EExtended strand (participates in β ladder)trans-89.8-47.1177.6175.594.4-157.200110.4Q501 R535 V565Q501-E503 PolarHBondContact O-N 2.84Å; E503-R535 VanDerWaalsContact CD-CZ 3.43Å; E503-R535 VanDerWaalsContact CD-NH2 3.31Å; E503-R535 PolarHBondContact O-NE 3.03Å; E503-R535 VanDerWaalsContact O-NE 3.1Å; E503-R535 PolarHBondContact O-NH2 3.16Å; E503-R535 IonicContact OE1-CZ 2.73Å; E503-R535 IonicContact OE1-NH1 3.17Å; E503-R535 PolarHBondContact OE1-NH1 2.71Å; E503-R535 IonicContact OE1-NH2 3.14Å; E503-R535 PolarHBondContact OE1-NH2 2.78Å; E503-R535 IonicContact OE2-CZ 3.68Å; E503-R535 IonicContact OE2-NH1 3.47Å; E503-R535 PolarHBondContact OE2-NH1 2.77Å; E503-V565 HydrophobicContact CB-CB 4.41Å; E503-V565 HydrophobicContact CB-CG1 4.32Å; E503-V565 PolarHBondContact N-O 2.85Å
504I85.2Confident86.2Confident54 Ų5446.5 Ų46.528%0.27724%0.236SC..EExtended strand (participates in β ladder)trans-132.7132.3176.4-58.2179000108W476 F564 V565W476-I504 HydrophobicContact CH2-CD1 3.62Å; W476-I504 HydrophobicContact CH2-CG2 4.33Å; W476-I504 HydrophobicContact CZ2-CD1 4.16Å; W476-I504 HydrophobicContact CZ3-CG2 4.38Å; I504-F564 VanDerWaalsContact O-CA 3.28Å; I504-F564 WeakPolarHBondContact O-CA 3.36Å; I504-F564 WeakPolarHBondContact O-CB 3.5Å; I504-V565 HydrophobicContact CB-CB 4.02Å; I504-V565 HydrophobicContact CB-CG2 4.09Å; I504-V565 HydrophobicContact CD1-CB 4.5Å; I504-V565 HydrophobicContact CD1-CG2 4.02Å; I504-V565 HydrophobicContact CG1-CB 4.33Å; I504-V565 HydrophobicContact CG1-CG2 4.33Å; I504-V565 PolarHBondContact N-O 2.92Å; I504-V565 PolarHBondContact O-N 2.94Å
505L87.4Confident86.9Confident10 Ų1039 Ų395%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-140.5115.4166.2-174.890.7000107.5V502 V507 L513 L529 G531 P532 Q533 F564V502-L505 HydrophobicContact CG1-CB 3.74Å; L505-V507 HydrophobicContact CD1-CG2 3.83Å; L505-V507 HydrophobicContact CG-CG2 4.22Å; L505-L513 HydrophobicContact CD1-CD2 3.79Å; L505-L529 HydrophobicContact CD1-CB 3.98Å; L505-L529 HydrophobicContact CD1-CD1 4.3Å; L505-L529 HydrophobicContact CD2-CB 3.8Å; L505-G531 VanDerWaalsContact CD2-O 3.27Å; L505-G531 WeakPolarHBondContact CD2-O 3.31Å; L505-P532 WeakPolarHBondContact O-CA 3.38Å; L505-Q533 HydrophobicContact CD2-CB 3.66Å; L505-Q533 HydrophobicContact CD2-CG 3.49Å; L505-Q533 VanDerWaalsContact CD2-CG 3.49Å; L505-F564 HydrophobicContact CD1-CB 4.09Å
506N83.3Confident87.7Confident36 Ų3633.6 Ų33.619%0.19318%0.175CC..EExtended strand (participates in β ladder)trans-142.866.1177.3-17512.3000108.5L560 Q562 G563N506-L560 PolarHBondContact ND2-O 2.77Å; N506-Q562 HydrophobicContact CB-CB 4.24Å; N506-Q562 PolarHBondContact ND2-N 2.65Å; N506-Q562 VanDerWaalsContact ND2-N 3.19Å; N506-G563 CarbonylContact C-O 3.54Å; N506-G563 WeakPolarHBondContact CA-O 3.07Å; N506-G563 PolarHBondContact N-O 2.83Å; N506-G563 PolarHBondContact O-N 3.26Å; N506-G563 VanDerWaalsContact O-N 3.14Å
507V84.3Confident88.1Confident1 Ų132.4 Ų32.41%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-93.8133.9179.8172.10000108.7L505 D511 G531 F549 F564L505-V507 HydrophobicContact CD1-CG2 3.83Å; L505-V507 HydrophobicContact CG-CG2 4.22Å; V507-D511 HydrophobicContact CG1-CB 3.49Å; V507-D511 VanDerWaalsContact CG1-CB 3.49Å; V507-G531 WeakPolarHBondContact O-CA 3.37Å; V507-G531 PolarHBondContact O-N 2.91Å; V507-G531 VanDerWaalsContact O-N 3.08Å; V507-F549 HydrophobicContact CG1-CE2 3.91Å; V507-F549 HydrophobicContact CG2-CE2 4.15Å; V507-F564 HydrophobicContact CG2-CD1 3.97Å
508R79.4Confident88.1Confident64 Ų6432.4 Ų32.424%0.24218%0.175CC..  trans-64.3160-175.3-62.6163.8170145.8-2.2112.5Y480 G510 D511 N557 G559Y480-R508 WeakPolarHBondContact OH-CG 3.46Å; Y480-R508 PolarHBondContact OH-N 3.26Å; R508-G510 PolarHBondContact O-N 2.7Å; R508-D511 WeakPolarHBondContact CB-OD2 3.34Å; R508-D511 PolarHBondContact O-N 3.12Å; R508-N557 PolarHBondContact NH2-O 2.84Å; R508-G559 PolarHBondContact NE-O 3.47Å
509E74.7Confident87.7Confident200 Ų20038.2 Ų38.294%0.93521%0.207SC*.THydrogen-bonded Turntrans-70110.6171-63.5-170.8146.900110.4
510G76.8Confident87.3Confident65 Ų6537.2 Ų37.267%0.6721%0.205SC*.THydrogen-bonded Turntrans124.1-31-174.400000112.4R508R508-G510 PolarHBondContact O-N 2.7Å
511D87.5Confident86.6Confident13 Ų1340.3 Ų40.37%0.0723%0.225CC..  trans-84.6159.9175.8-57.8-17000110.7Y480 V507 R508 F549 Q550 A551 P552Y480-D511 WeakPolarHBondContact CE2-OD2 3.38Å; Y480-D511 VanDerWaalsContact CZ-OD2 3.25Å; Y480-D511 PolarHBondContact OH-OD2 3.07Å; V507-D511 HydrophobicContact CG1-CB 3.49Å; V507-D511 VanDerWaalsContact CG1-CB 3.49Å; R508-D511 WeakPolarHBondContact CB-OD2 3.34Å; R508-D511 PolarHBondContact O-N 3.12Å; D511-F549 HydrophobicContact CB-CE2 4.23Å; D511-F549 HydrophobicContact CB-CZ 4.5Å; D511-Q550 CarbonylContact C-O 3.59Å; D511-Q550 WeakPolarHBondContact CA-O 3.47Å; D511-A551 HydrophobicContact CB-CB 4.32Å; D511-A551 WeakPolarHBondContact OD1-CA 3.49Å; D511-P552 WeakPolarHBondContact OD1-CD 3.41Å
512M89.7Confident86.1Confident32 Ų3243.4 Ų43.416%0.15825%0.252CS..EExtended strand (participates in β ladder)trans-149.1128.6-176.9-177168.76400113.4Q528 R530 Q550M512-Q528 HydrophobicContact CG-CB 4.36Å; M512-Q528 HydrophobicContact CG-CG 4.47Å; M512-Q528 HydrophobicContact SD-CB 4.01Å; M512-Q528 HydrophobicContact SD-CG 3.77Å; M512-Q528 PolarHBondContact SD-OE1 2.98Å; M512-Q528 VanDerWaalsContact SD-OE1 3.34Å; M512-R530 HydrophobicContact CB-CG 4.36Å; M512-R530 HydrophobicContact CG-CG 4.25Å; M512-R530 PolarHBondContact SD-NE 2.57Å; M512-R530 PolarHBondContact SD-NH2 3.21Å; M512-Q550 PolarHBondContact N-O 3.48Å; M512-Q550 PolarHBondContact O-N 2.71Å
513L91.8Very high85.9Confident0 Ų044.4 Ų44.40%026%0.261CS..EExtended strand (participates in β ladder)trans-100110.2164.917266.7000108.9L505 L515 L529 Q548 F549 F564 L566L505-L513 HydrophobicContact CD1-CD2 3.79Å; L513-L515 HydrophobicContact CG-CD1 4.15Å; L513-L529 HydrophobicContact CB-CB 4.24Å; L513-L529 HydrophobicContact CD2-CB 4.41Å; L513-L529 HydrophobicContact CD2-CD1 4.08Å; L513-L529 PolarHBondContact N-O 3.29Å; L513-L529 PolarHBondContact O-N 3.32Å; L513-Q548 CarbonylContact C-O 3.55Å; L513-Q548 WeakPolarHBondContact CA-O 3.12Å; L513-F549 HydrophobicContact CB-CD2 4.2Å; L513-F549 HydrophobicContact CD1-CB 4.17Å; L513-F564 HydrophobicContact CD1-CE1 4.38Å; L513-F564 HydrophobicContact CD1-CZ 4.18Å; L513-F564 HydrophobicContact CD2-CD1 4.3Å; L513-F564 HydrophobicContact CD2-CE1 4.49Å; L513-F564 HydrophobicContact CD2-CG 4.31Å; L513-L566 HydrophobicContact CD2-CD1 3.8Å; L513-L566 HydrophobicContact CD2-CD2 4.12Å
514T92.6Very high86.1Confident4 Ų450 Ų503%0.02528%0.28CS..EExtended strand (participates in β ladder)trans-99.1143.8176.1-53.30000110.4F516 V525 Q528 Q548T514-F516 HydrophobicContact CG2-CD1 4.24Å; T514-F516 HydrophobicContact CG2-CD2 4.25Å; T514-F516 HydrophobicContact CG2-CE1 3.7Å; T514-F516 HydrophobicContact CG2-CE2 3.71Å; T514-F516 HydrophobicContact CG2-CZ 3.42Å; T514-F516 VanDerWaalsContact CG2-CZ 3.42Å; T514-V525 HydrophobicContact CG2-CG1 4.12Å; T514-V525 HydrophobicContact CG2-CG2 4.1Å; T514-Q528 HydrophobicContact CG2-CG 3.96Å; T514-Q548 PolarHBondContact N-O 2.67Å; T514-Q548 PolarHBondContact O-N 2.73Å
515L94.3Very high86.4Confident0 Ų050.7 Ų50.70%029%0.287CS..EExtended strand (participates in β ladder)trans-125.4130.7178.2-61.791.5000109.4L500 L513 V525 L526 A527 L529 L538 T546 L547L500-L515 HydrophobicContact CD2-CD2 3.24Å; L513-L515 HydrophobicContact CG-CD1 4.15Å; L515-V525 CarbonylContact O-C 3.48Å; L515-V525 WeakPolarHBondContact O-CA 3.49Å; L515-L526 HydrophobicContact CB-CB 4.31Å; L515-L526 PolarHBondContact O-N 2.86Å; L515-A527 HydrophobicContact CD1-CB 4.19Å; L515-A527 PolarHBondContact N-O 3.43Å; L515-L529 HydrophobicContact CD1-CD1 3.67Å; L515-L529 HydrophobicContact CD1-CG 3.76Å; L515-L538 HydrophobicContact CD2-CD1 3.79Å; L515-T546 WeakPolarHBondContact CA-O 3.48Å; L515-L547 HydrophobicContact CB-CD2 4.19Å; L515-L547 HydrophobicContact CD2-CD2 3.46Å; L515-L547 VanDerWaalsContact CD2-CD2 3.46Å; L515-L547 HydrophobicContact CG-CD2 3.6Å
516F94.4Very high86.6Confident15 Ų1552.4 Ų52.47%0.06630%0.295CS..EExtended strand (participates in β ladder)trans-120.6136.2-176.5-48.5-94.3000111.5T514 G518 P521 A523 R524 V525 T546 Q548T514-F516 HydrophobicContact CG2-CD1 4.24Å; T514-F516 HydrophobicContact CG2-CD2 4.25Å; T514-F516 HydrophobicContact CG2-CE1 3.7Å; T514-F516 HydrophobicContact CG2-CE2 3.71Å; T514-F516 HydrophobicContact CG2-CZ 3.42Å; T514-F516 VanDerWaalsContact CG2-CZ 3.42Å; F516-G518 PolarHBondContact O-N 2.96Å; F516-P521 HydrophobicContact CD2-CB 4.4Å; F516-P521 WeakPolarHBondContact CE1-O 3.14Å; F516-P521 HydrophobicContact CE2-CB 3.8Å; F516-P521 HydrophobicContact CZ-CB 3.87Å; F516-A523 HydrophobicContact CB-CB 4.03Å; F516-A523 WeakPolarHBondContact CD1-O 3.06Å; F516-R524 CarbonylContact C-O 3.49Å; F516-R524 WeakPolarHBondContact CA-O 3.42Å; F516-V525 HydrophobicContact CD1-CG2 3.72Å; F516-V525 HydrophobicContact CE1-CG2 3.7Å; F516-T546 HydrophobicContact CD2-CG2 4.23Å; F516-T546 PolarHBondContact N-O 2.81Å; F516-T546 PolarHBondContact O-N 3.16Å; F516-Q548 HydrophobicContact CE2-CB 3.82Å
517D92.1Very high86.9Confident17 Ų1751.2 Ų51.29%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-83.886.2180-159.9-0.9000109.1R524 L526 S541D517-R524 HydrophobicContact CB-CB 4.15Å; D517-R524 VanDerWaalsContact CB-O 3.25Å; D517-R524 WeakPolarHBondContact CB-O 3.23Å; D517-R524 PolarHBondContact N-O 2.88Å; D517-R524 IonicContact OD2-NH1 2.73Å; D517-R524 PolarHBondContact OD2-NH1 3.13Å; D517-L526 HydrophobicContact CB-CD1 4.27Å; D517-L526 HydrophobicContact CB-CD2 3.64Å; D517-L526 HydrophobicContact CB-CG 3.71Å; D517-S541 VanDerWaalsContact OD1-CB 3.25Å; D517-S541 WeakPolarHBondContact OD1-CB 3.2Å; D517-S541 PolarHBondContact OD1-N 2.89Å; D517-S541 PolarHBondContact OD1-OG 3.08Å; D517-S541 WeakPolarHBondContact OD2-CB 3.36Å; D517-S541 PolarHBondContact OD2-OG 2.92Å
518G89.6Confident87.2Confident15 Ų1555.8 Ų55.816%0.15531%0.312CS..BIsolated β-bridgetrans132.7176.8-173.600000114.1F516 D544 T546F516-G518 PolarHBondContact O-N 2.96Å; G518-D544 PolarHBondContact N-O 2.9Å; G518-T546 PolarHBondContact O-N 3.41Å; G518-T546 PolarHBondContact O-OG1 2.86Å
519D84.3Confident87.7Confident123 Ų12353.4 Ų53.466%0.65830%0.304SS*.SBendtrans-71.2134.9171.3178.628.9000111.7D544D519-D544 HydrophobicContact CB-CB 4.39Å
520G82.5Confident88.2Confident15 Ų1550 Ų5016%0.15528%0.282CS..SBendtrans76.5158.2178.400000116.8S522 A523 T546G520-S522 PolarHBondContact O-N 3.36Å; G520-S522 VanDerWaalsContact O-N 3.14Å; G520-A523 WeakPolarHBondContact O-CB 3.31Å; G520-A523 PolarHBondContact O-N 3.41Å; G520-T546 PolarHBondContact N-OG1 2.98Å
521P78.8Confident88.2Confident68 Ų6847.4 Ų47.444%0.44226%0.255SS..THydrogen-bonded Turntrans-73.22.5176.432.3-36.9000113.9F516F516-P521 HydrophobicContact CD2-CB 4.4Å; F516-P521 WeakPolarHBondContact CE1-O 3.14Å; F516-P521 HydrophobicContact CE2-CB 3.8Å; F516-P521 HydrophobicContact CZ-CB 3.87Å
522S80.9Confident87.7Confident115 Ų11551.7 Ų51.780%0.80428%0.284SS*.THydrogen-bonded Turntrans-85.1-12.6170.351.40000113.1G520G520-S522 PolarHBondContact O-N 3.36Å; G520-S522 VanDerWaalsContact O-N 3.14Å
523A87Confident86.8Confident26 Ų2655.2 Ų55.222%0.21530%0.3CS..SBendtrans-73.5179.5-17800000113.1F516 G520 V525F516-A523 HydrophobicContact CB-CB 4.03Å; F516-A523 WeakPolarHBondContact CD1-O 3.06Å; G520-A523 WeakPolarHBondContact O-CB 3.31Å; G520-A523 PolarHBondContact O-N 3.41Å; A523-V525 PolarHBondContact O-N 3.19Å
524R90.9Very high85.9Confident178 Ų17860.1 Ų60.167%0.67233%0.332SS*.EExtended strand (participates in β ladder)trans-76.3120.2-171.7172.3-164.8175.5-153.53.3111.4F516 D517 L526F516-R524 CarbonylContact C-O 3.49Å; F516-R524 WeakPolarHBondContact CA-O 3.42Å; D517-R524 HydrophobicContact CB-CB 4.15Å; D517-R524 VanDerWaalsContact CB-O 3.25Å; D517-R524 WeakPolarHBondContact CB-O 3.23Å; D517-R524 PolarHBondContact N-O 2.88Å; D517-R524 IonicContact OD2-NH1 2.73Å; D517-R524 PolarHBondContact OD2-NH1 3.13Å; R524-L526 PolarHBondContact O-N 3.14Å; R524-L526 VanDerWaalsContact O-N 3.15Å
525V92.8Very high85.4Confident68 Ų6867.4 Ų67.441%0.41236%0.359SS..EExtended strand (participates in β ladder)trans-57.3119.2174.9-179.90000112.1T514 L515 F516 A523 Q528T514-V525 HydrophobicContact CG2-CG1 4.12Å; T514-V525 HydrophobicContact CG2-CG2 4.1Å; L515-V525 CarbonylContact O-C 3.48Å; L515-V525 WeakPolarHBondContact O-CA 3.49Å; F516-V525 HydrophobicContact CD1-CG2 3.72Å; F516-V525 HydrophobicContact CE1-CG2 3.7Å; A523-V525 PolarHBondContact O-N 3.19Å; V525-Q528 HydrophobicContact CG1-CG 4.14Å
526L91.3Very high84.9Confident46 Ų4674.3 Ų74.324%0.24139%0.385CS..EExtended strand (participates in β ladder)trans-79.4-43.9169-71176.9000111.7L515 D517 R524 L545L515-L526 HydrophobicContact CB-CB 4.31Å; L515-L526 PolarHBondContact O-N 2.86Å; D517-L526 HydrophobicContact CB-CD1 4.27Å; D517-L526 HydrophobicContact CB-CD2 3.64Å; D517-L526 HydrophobicContact CB-CG 3.71Å; R524-L526 PolarHBondContact O-N 3.14Å; R524-L526 VanDerWaalsContact O-N 3.15Å; L526-L545 HydrophobicContact CD1-CD1 3.43Å; L526-L545 VanDerWaalsContact CD1-CD1 3.43Å
527A89.3Confident84.7Confident11 Ų1181.4 Ų81.49%0.09141%0.412CS..EExtended strand (participates in β ladder)trans-160.5152.5-176.400000111.1L515 L529 L538L515-A527 HydrophobicContact CD1-CB 4.19Å; L515-A527 PolarHBondContact N-O 3.43Å; A527-L529 HydrophobicContact CB-CD2 4.27Å; A527-L529 HydrophobicContact CB-CG 4.49Å; A527-L538 HydrophobicContact CB-CD1 3.97Å; A527-L538 HydrophobicContact CB-CD2 4.47Å
528Q91.3Very high84.6Confident97 Ų9781.4 Ų81.445%0.45341%0.411SS..EExtended strand (participates in β ladder)trans-117126.5159.7-72179-3.200107.3M512 T514 V525 R530M512-Q528 HydrophobicContact CG-CB 4.36Å; M512-Q528 HydrophobicContact CG-CG 4.47Å; M512-Q528 HydrophobicContact SD-CB 4.01Å; M512-Q528 HydrophobicContact SD-CG 3.77Å; M512-Q528 PolarHBondContact SD-OE1 2.98Å; M512-Q528 VanDerWaalsContact SD-OE1 3.34Å; T514-Q528 HydrophobicContact CG2-CG 3.96Å; V525-Q528 HydrophobicContact CG1-CG 4.14Å; Q528-R530 VanDerWaalsContact OE1-NH2 3.16Å
529L88.5Confident84.6Confident14 Ų1484.2 Ų84.27%0.07342%0.423CS..EExtended strand (participates in β ladder)trans-113.1126-174.9-60.8-176.3000109V502 L505 L513 L515 A527V502-L529 HydrophobicContact CG2-CD1 3.92Å; L505-L529 HydrophobicContact CD1-CB 3.98Å; L505-L529 HydrophobicContact CD1-CD1 4.3Å; L505-L529 HydrophobicContact CD2-CB 3.8Å; L513-L529 HydrophobicContact CB-CB 4.24Å; L513-L529 HydrophobicContact CD2-CB 4.41Å; L513-L529 HydrophobicContact CD2-CD1 4.08Å; L513-L529 PolarHBondContact N-O 3.29Å; L513-L529 PolarHBondContact O-N 3.32Å; L515-L529 HydrophobicContact CD1-CD1 3.67Å; L515-L529 HydrophobicContact CD1-CG 3.76Å; A527-L529 HydrophobicContact CB-CD2 4.27Å; A527-L529 HydrophobicContact CB-CG 4.49Å
530R85.4Confident85Confident128 Ų12878.5 Ų78.548%0.48339%0.392SS..  trans-146.7148.6-177.8-51.3-172.8-164.4169.25.7109.7M512 Q528 Q533M512-R530 HydrophobicContact CB-CG 4.36Å; M512-R530 HydrophobicContact CG-CG 4.25Å; M512-R530 PolarHBondContact SD-NE 2.57Å; M512-R530 PolarHBondContact SD-NH2 3.21Å; Q528-R530 VanDerWaalsContact OE1-NH2 3.16Å; R530-Q533 PolarHBondContact O-NE2 3.37Å
531G78.2Confident85.1Confident10 Ų1080.5 Ų80.510%0.10340%0.404CS..EExtended strand (participates in β ladder)trans68.1-176-178.100000113.6L505 V507 Q533L505-G531 VanDerWaalsContact CD2-O 3.27Å; L505-G531 WeakPolarHBondContact CD2-O 3.31Å; V507-G531 WeakPolarHBondContact O-CA 3.37Å; V507-G531 PolarHBondContact O-N 2.91Å; V507-G531 VanDerWaalsContact O-N 3.08Å; G531-Q533 PolarHBondContact O-N 2.81Å
532P76.6Confident85.5Confident104 Ų10478 Ų7868%0.67539%0.39SS*.EExtended strand (participates in β ladder)trans-71121.8167.129-32.8000110.6L505L505-P532 WeakPolarHBondContact O-CA 3.38Å
533Q70.2Confident85.9Confident105 Ų10573.6 Ų73.649%0.49136%0.359SS..  trans-121.6150178.8-64.5-67-26.500111.3L505 R530 G531L505-Q533 HydrophobicContact CD2-CB 3.66Å; L505-Q533 HydrophobicContact CD2-CG 3.49Å; L505-Q533 VanDerWaalsContact CD2-CG 3.49Å; R530-Q533 PolarHBondContact O-NE2 3.37Å; G531-Q533 PolarHBondContact O-N 2.81Å
534P72.1Confident86.2Confident103 Ų10374.6 Ų74.667%0.66936%0.361SS*.  trans-65.1150.2172.729.1-35.1000111.3R536P534-R536 PolarHBondContact O-N 2.72Å; P534-R536 VanDerWaalsContact O-N 3.16Å
535R82.1Confident86.4Confident158 Ų15866.3 Ų66.360%0.59633%0.33SS*.  trans-52.7120.4177.7-67.6-174.8176.3-151.1-5.3110.8V502 E503V502-R535 WeakPolarHBondContact O-CA 3.25Å; V502-R535 WeakPolarHBondContact O-CB 3.25Å; E503-R535 VanDerWaalsContact CD-CZ 3.43Å; E503-R535 VanDerWaalsContact CD-NH2 3.31Å; E503-R535 PolarHBondContact O-NE 3.03Å; E503-R535 VanDerWaalsContact O-NE 3.1Å; E503-R535 PolarHBondContact O-NH2 3.16Å; E503-R535 IonicContact OE1-CZ 2.73Å; E503-R535 IonicContact OE1-NH1 3.17Å; E503-R535 PolarHBondContact OE1-NH1 2.71Å; E503-R535 IonicContact OE1-NH2 3.14Å; E503-R535 PolarHBondContact OE1-NH2 2.78Å; E503-R535 IonicContact OE2-CZ 3.68Å; E503-R535 IonicContact OE2-NH1 3.47Å; E503-R535 PolarHBondContact OE2-NH1 2.77Å
536R85.4Confident86.4Confident144 Ų14463.2 Ų63.254%0.54331%0.311SS..  trans-128.9147.2-176.2-179.3170.6175.7-170-4.8110.7V502 P534 L538V502-R536 PolarHBondContact N-O 3.05Å; P534-R536 PolarHBondContact O-N 2.72Å; P534-R536 VanDerWaalsContact O-N 3.16Å; R536-L538 HydrophobicContact CG-CD2 4.37Å
537R89.1Confident86.4Confident165 Ų16561 Ų6162%0.62330%0.299SS*.EExtended strand (participates in β ladder)trans-100.9140.3167.4-72.3177.2-179.4161.62.5110.5L499 L500 Q501L499-R537 HydrophobicContact CD1-CB 4Å; L499-R537 HydrophobicContact CD1-CG 4.29Å; L500-R537 CarbonylContact O-C 3.48Å; L500-R537 WeakPolarHBondContact O-CA 3.46Å; Q501-R537 HydrophobicContact CB-CG 4.23Å; Q501-R537 HydrophobicContact CG-CG 4.17Å; Q501-R537 VanDerWaalsContact OE1-CZ 3.28Å
538L90.3Very high86.5Confident16 Ų1661.8 Ų61.88%0.08430%0.301CS..EExtended strand (participates in β ladder)trans-131.1144.9176.8-63.2172.6000107.7L499 L500 L515 A527 R536L499-L538 WeakPolarHBondContact CD1-O 3.39Å; L500-L538 HydrophobicContact CB-CB 4.5Å; L500-L538 PolarHBondContact N-O 2.59Å; L500-L538 PolarHBondContact O-N 2.93Å; L515-L538 HydrophobicContact CD2-CD1 3.79Å; A527-L538 HydrophobicContact CB-CD1 3.97Å; A527-L538 HydrophobicContact CB-CD2 4.47Å; R536-L538 HydrophobicContact CG-CD2 4.37Å
539L89.7Confident86.5Confident75 Ų7557.1 Ų57.139%0.39328%0.279SS..EExtended strand (participates in β ladder)trans-131.5128.9-175-176.569.9000108.4R497 I498 L499 V571R497-L539 HydrophobicContact CB-CD1 3.99Å; I498-L539 WeakPolarHBondContact O-CA 3.26Å; L499-L539 HydrophobicContact CB-CD1 4.15Å; L539-V571 HydrophobicContact CD1-CG2 3.59Å
540S92.2Very high86.6Confident3 Ų359.7 Ų59.72%0.02129%0.291CS..  trans-71162172.364.40000111.8R497 I498 G542R497-S540 WeakPolarHBondContact CD-O 3.47Å; R497-S540 WeakPolarHBondContact CG-O 3.08Å; R497-S540 PolarHBondContact NE-O 2.75Å; I498-S540 PolarHBondContact N-OG 2.89Å; I498-S540 PolarHBondContact O-N 3.08Å; S540-G542 WeakPolarHBondContact CB-O 3.47Å; S540-G542 PolarHBondContact OG-O 2.91Å
541S85.4Confident86.6Confident57 Ų5753.8 Ų53.840%0.39927%0.269SS..SBendtrans-83.7-25174.167.40000113.2R497 D517R497-S541 VanDerWaalsContact CZ-O 3.31Å; R497-S541 VanDerWaalsContact NE-C 3.34Å; R497-S541 PolarHBondContact NE-O 3.48Å; R497-S541 PolarHBondContact NH2-O 3.03Å; D517-S541 VanDerWaalsContact OD1-CB 3.25Å; D517-S541 WeakPolarHBondContact OD1-CB 3.2Å; D517-S541 PolarHBondContact OD1-N 2.89Å; D517-S541 PolarHBondContact OD1-OG 3.08Å; D517-S541 WeakPolarHBondContact OD2-CB 3.36Å; D517-S541 PolarHBondContact OD2-OG 2.92Å
542G87.2Confident86.8Confident14 Ų1456.9 Ų56.914%0.14429%0.287CS..SBendtrans-141.2-160.9179.900000113.3S540 D544S540-G542 WeakPolarHBondContact CB-O 3.47Å; S540-G542 PolarHBondContact OG-O 2.91Å; G542-D544 VanDerWaalsContact C-N 3.3Å; G542-D544 PolarHBondContact O-N 2.86Å
543P90.1Very high86.9Confident24 Ų2457.5 Ų57.516%0.15629%0.292CS..SBendtrans-73.5-16.5-174.729-34.4000114.5V492 I498V492-P543 HydrophobicContact CG2-CB 4.22Å; V492-P543 WeakPolarHBondContact CG2-O 3.35Å; V492-P543 PolarHBondContact N-O 3.44Å; V492-P543 VanDerWaalsContact N-O 3.08Å; V492-P543 VanDerWaalsContact O-CB 3.27Å; V492-P543 WeakPolarHBondContact O-CB 3.35Å; I498-P543 WeakPolarHBondContact CD1-O 3.31Å
544D92.2Very high86.8Confident47 Ų4754.5 Ų54.525%0.25129%0.288SS..EExtended strand (participates in β ladder)trans-107.8142.9-173-39-68.4000112.5V490 H491 G518 D519 G542V490-D544 WeakPolarHBondContact O-CA 3.4Å; H491-D544 IonicContact CE1-OD1 2.76Å; H491-D544 IonicContact CG-OD1 2.68Å; H491-D544 IonicContact ND1-OD1 3.72Å; H491-D544 PolarHBondContact ND1-OD1 2.87Å; G518-D544 PolarHBondContact N-O 2.9Å; D519-D544 HydrophobicContact CB-CB 4.39Å; G542-D544 VanDerWaalsContact C-N 3.3Å; G542-D544 PolarHBondContact O-N 2.86Å
545L94.3Very high86.4Confident4 Ų454 Ų542%0.02129%0.285CS..EExtended strand (participates in β ladder)trans-147.5115.1176.6176.477000109.7V490 I498 L500 L526 L547V490-L545 HydrophobicContact CB-CB 4.36Å; V490-L545 WeakPolarHBondContact CB-O 2.95Å; V490-L545 PolarHBondContact N-O 3.05Å; V490-L545 PolarHBondContact O-N 3.06Å; I498-L545 HydrophobicContact CB-CB 4.28Å; I498-L545 HydrophobicContact CB-CD2 4.21Å; I498-L545 HydrophobicContact CD1-CB 3.56Å; I498-L545 HydrophobicContact CG1-CB 4.49Å; I498-L545 HydrophobicContact CG2-CB 4.45Å; I498-L545 HydrophobicContact CG2-CD2 3.64Å; L500-L545 HydrophobicContact CB-CD2 4.22Å; L500-L545 HydrophobicContact CD1-CD2 4.47Å; L500-L545 HydrophobicContact CD2-CD2 4.44Å; L526-L545 HydrophobicContact CD1-CD1 3.43Å; L526-L545 VanDerWaalsContact CD1-CD1 3.43Å; L545-L547 HydrophobicContact CD2-CD2 4.15Å; L545-L547 HydrophobicContact CG-CD2 4.16Å
546T93.1Very high85.4Confident3 Ų351.9 Ų51.92%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-97.8136.4176.2-55.90000111.3V487 L515 F516 G518 G520V487-T546 HydrophobicContact CG1-CG2 3.86Å; L515-T546 WeakPolarHBondContact CA-O 3.48Å; F516-T546 HydrophobicContact CD2-CG2 4.23Å; F516-T546 PolarHBondContact N-O 2.81Å; F516-T546 PolarHBondContact O-N 3.16Å; G518-T546 PolarHBondContact O-N 3.41Å; G518-T546 PolarHBondContact O-OG1 2.86Å; G520-T546 PolarHBondContact N-OG1 2.98Å
547L92.5Very high83.9Confident0 Ų049.8 Ų49.80%029%0.292CS..EExtended strand (participates in β ladder)trans-119.1126.1178-51.8174.9000108.8V471 V487 W488 V490 L500 L515 L545 L566V471-L547 HydrophobicContact CB-CD1 4.17Å; V471-L547 HydrophobicContact CG1-CD1 4.07Å; V471-L547 HydrophobicContact CG2-CD1 3.8Å; V487-L547 WeakPolarHBondContact CA-O 3.31Å; W488-L547 HydrophobicContact CB-CB 4.36Å; W488-L547 HydrophobicContact CE3-CB 4.17Å; W488-L547 PolarHBondContact N-O 3.2Å; W488-L547 PolarHBondContact O-N 2.82Å; V490-L547 HydrophobicContact CG2-CD1 4.27Å; L500-L547 HydrophobicContact CD2-CD2 4.06Å; L515-L547 HydrophobicContact CB-CD2 4.19Å; L515-L547 HydrophobicContact CD2-CD2 3.46Å; L515-L547 VanDerWaalsContact CD2-CD2 3.46Å; L515-L547 HydrophobicContact CG-CD2 3.6Å; L545-L547 HydrophobicContact CD2-CD2 4.15Å; L545-L547 HydrophobicContact CG-CD2 4.16Å; L547-L566 HydrophobicContact CD1-CD1 4.19Å
548Q91.5Very high82.2Confident26 Ų2648.7 Ų48.712%0.12131%0.306CS..EExtended strand (participates in β ladder)trans-123127.8174.9-177.4168.626.500111D485 C486 V487 L513 T514 F516 Q550D485-Q548 WeakPolarHBondContact OD1-CG 3.29Å; D485-Q548 PolarHBondContact OD1-NE2 3.39Å; D485-Q548 PolarHBondContact OD2-NE2 2.03Å; C486-Q548 CarbonylContact O-C 3.58Å; C486-Q548 VanDerWaalsContact O-CA 3.24Å; C486-Q548 WeakPolarHBondContact O-CA 3.38Å; V487-Q548 HydrophobicContact CG2-CB 4.37Å; V487-Q548 HydrophobicContact CG2-CG 4.01Å; L513-Q548 CarbonylContact C-O 3.55Å; L513-Q548 WeakPolarHBondContact CA-O 3.12Å; T514-Q548 PolarHBondContact N-O 2.67Å; T514-Q548 PolarHBondContact O-N 2.73Å; F516-Q548 HydrophobicContact CE2-CB 3.82Å; Q548-Q550 HydrophobicContact CG-CG 4.23Å; Q548-Q550 VanDerWaalsContact NE2-NE2 3.11Å
549F90.9Very high80.5Confident0 Ų049.8 Ų49.80%032%0.321CS..EExtended strand (participates in β ladder)trans-116.2117.9175.6175.3-118.2000111.6P474 Y480 Q484 D485 C486 W488 V507 D511 L513 A551 F564P474-F549 HydrophobicContact CG-CD1 4.32Å; P474-F549 HydrophobicContact CG-CE1 4.44Å; Y480-F549 HydrophobicContact CD1-CZ 4.36Å; Y480-F549 AromaticContact CD2-CE1 3.84Å; Y480-F549 HydrophobicContact CD2-CE1 3.84Å; Y480-F549 AromaticContact CD2-CZ 3.77Å; Y480-F549 HydrophobicContact CD2-CZ 3.77Å; Y480-F549 HydrophobicContact CE1-CZ 4.17Å; Y480-F549 HydrophobicContact CE2-CE1 4.11Å; Y480-F549 AromaticContact CE2-CZ 3.56Å; Y480-F549 HydrophobicContact CE2-CZ 3.56Å; Y480-F549 HydrophobicContact CG-CE1 4.1Å; Y480-F549 HydrophobicContact CG-CZ 4.17Å; Y480-F549 AromaticContact CZ-CZ 3.75Å; Q484-F549 HydrophobicContact CB-CD1 4.39Å; Q484-F549 HydrophobicContact CB-CE1 4.31Å; D485-F549 CarbonylContact C-O 3.59Å; D485-F549 WeakPolarHBondContact CA-O 3.44Å; C486-F549 HydrophobicContact CB-CB 4.19Å; C486-F549 PolarHBondContact N-O 2.82Å; C486-F549 PolarHBondContact O-N 3.08Å; W488-F549 HydrophobicContact CH2-CB 4.24Å; W488-F549 HydrophobicContact CZ3-CB 3.83Å; V507-F549 HydrophobicContact CG1-CE2 3.91Å; V507-F549 HydrophobicContact CG2-CE2 4.15Å; D511-F549 HydrophobicContact CB-CE2 4.23Å; D511-F549 HydrophobicContact CB-CZ 4.5Å; L513-F549 HydrophobicContact CB-CD2 4.2Å; L513-F549 HydrophobicContact CD1-CB 4.17Å; F549-A551 HydrophobicContact CE1-CB 4.08Å; F549-A551 HydrophobicContact CZ-CB 3.89Å; F549-F564 HydrophobicContact CB-CE1 3.96Å; F549-F564 HydrophobicContact CB-CZ 3.99Å; F549-F564 AromaticContact CD1-CE1 3.93Å; F549-F564 HydrophobicContact CD1-CE1 3.93Å; F549-F564 HydrophobicContact CD1-CZ 4.41Å; F549-F564 HydrophobicContact CD2-CD1 4.47Å; F549-F564 AromaticContact CD2-CE1 3.66Å; F549-F564 HydrophobicContact CD2-CE1 3.66Å; F549-F564 HydrophobicContact CE1-CE1 4.35Å; F549-F564 HydrophobicContact CE2-CE1 4.12Å; F549-F564 AromaticContact CG-CE1 3.55Å; F549-F564 HydrophobicContact CG-CE1 3.55Å; F549-F564 HydrophobicContact CG-CZ 4.05Å; F549-F564 HydrophobicContact CZ-CE1 4.43Å
550Q89.4Confident79Confident68 Ų6853.3 Ų53.332%0.31834%0.34SS..EExtended strand (participates in β ladder)trans-113.6125.4179.5-74.4172.4-1800110.9Q484 D485 D511 M512 Q548Q484-Q550 WeakPolarHBondContact O-CA 3.4Å; D485-Q550 HydrophobicContact CB-CG 4.42Å; D485-Q550 VanDerWaalsContact OD1-CG 3.23Å; D485-Q550 WeakPolarHBondContact OD1-CG 3.26Å; D485-Q550 PolarHBondContact OD1-NE2 2.73Å; D485-Q550 PolarHBondContact OD2-NE2 3.17Å; D511-Q550 CarbonylContact C-O 3.59Å; D511-Q550 WeakPolarHBondContact CA-O 3.47Å; M512-Q550 PolarHBondContact N-O 3.48Å; M512-Q550 PolarHBondContact O-N 2.71Å; Q548-Q550 HydrophobicContact CG-CG 4.23Å; Q548-Q550 VanDerWaalsContact NE2-NE2 3.11Å
551A86.9Confident77.2Confident3 Ų353.2 Ų53.23%0.02534%0.339CS..EExtended strand (participates in β ladder)trans-130.1112.6171.400000108.9Y480 G483 Q484 D511 F549Y480-A551 HydrophobicContact CD2-CB 4.26Å; Y480-A551 HydrophobicContact CE2-CB 3.94Å; G483-A551 CarbonylContact C-O 3.57Å; G483-A551 WeakPolarHBondContact CA-O 3.38Å; G483-A551 PolarHBondContact N-O 2.93Å; Q484-A551 HydrophobicContact CB-CB 4.19Å; Q484-A551 HydrophobicContact CG-CB 4.43Å; Q484-A551 PolarHBondContact N-O 2.78Å; Q484-A551 PolarHBondContact O-N 3.15Å; D511-A551 HydrophobicContact CB-CB 4.32Å; D511-A551 WeakPolarHBondContact OD1-CA 3.49Å; F549-A551 HydrophobicContact CE1-CB 4.08Å; F549-A551 HydrophobicContact CZ-CB 3.89Å
552P82.6Confident76.4Confident75 Ų7555.9 Ų55.949%0.48735%0.345SS..  trans-58.2155.1-174.3-27.236.7000114.2G483 D511G483-P552 PolarHBondContact N-O 3.08Å; G483-P552 VanDerWaalsContact N-O 3.1Å; D511-P552 WeakPolarHBondContact OD1-CD 3.41Å
553P77.1Confident76.2Confident118 Ų11855.2 Ų55.277%0.76634%0.338SS*.SBendtrans-65.5134.4170.928-34.2000110.5
554G69.1Low76.1Confident41 Ų4154 Ų5442%0.42333%0.331SS..  trans-174.4174.8-17700000111.7P482P482-G554 WeakPolarHBondContact CG-O 3.42Å
555P64.5Low75.9Confident93 Ų9352.3 Ų52.360%0.60432%0.322SS*.  trans-63.6146.9178.627.3-34.7000111.4N557P555-N557 PolarHBondContact O-N 2.91Å
556P59.2Low75.7Confident113 Ų11352.1 Ų52.173%0.73432%0.321SS*.  trans-72.176.6178.130.7-35.6000111.1
557N54.9Low75.6Confident101 Ų10155.3 Ų55.354%0.5434%0.335SS..  trans-68.2130.5180-76.3-25.2000110.7R508 P555 G559R508-N557 PolarHBondContact NH2-O 2.84Å; P555-N557 PolarHBondContact O-N 2.91Å; N557-G559 PolarHBondContact O-N 2.74Å
558P53.7Low75.7Confident141 Ų14155.7 Ų55.792%0.91634%0.337SS*.  trans-75.233-179.232.7-37.2000113.4
559G53.6Low75.7Confident39 Ų3959.5 Ų59.540%0.40235%0.353SS..  trans-98.3102.5-175.500000113.2R508 N557 G561R508-G559 PolarHBondContact NE-O 3.47Å; N557-G559 PolarHBondContact O-N 2.74Å; G559-G561 PolarHBondContact O-N 3.42Å
560L58.6Low75.7Confident150 Ų15062.2 Ų62.279%0.78537%0.366SS*.  trans34.86.2147.4-141.774.3000122.5N506 Q562N506-L560 PolarHBondContact ND2-O 2.77Å; L560-Q562 PolarHBondContact O-N 2.87Å; L560-Q562 VanDerWaalsContact O-N 3.13Å
561G54.5Low75.6Confident1 Ų160.1 Ų60.11%0.0136%0.358CS..  trans-78.392.717500000111S479 G559 G563S479-G561 WeakPolarHBondContact CA-O 3.27Å; S479-G561 WeakPolarHBondContact CB-O 3.36Å; S479-G561 PolarHBondContact OG-O 2.83Å; G559-G561 PolarHBondContact O-N 3.42Å; G561-G563 PolarHBondContact O-N 3.1Å
562Q68.5Low75.2Confident112 Ų11264.7 Ų64.752%0.52339%0.387SS..  trans-70-11.6175.8-71.4178.4-23.800113W476 N506 L560W476-Q562 WeakPolarHBondContact CZ3-O 3.36Å; N506-Q562 HydrophobicContact CB-CB 4.24Å; N506-Q562 PolarHBondContact ND2-N 2.65Å; N506-Q562 VanDerWaalsContact ND2-N 3.19Å; L560-Q562 PolarHBondContact O-N 2.87Å; L560-Q562 VanDerWaalsContact O-N 3.13Å
563G82Confident74.6Confident0 Ų066.9 Ų66.90%039%0.386CS..EExtended strand (participates in β ladder)trans87.8-143.1-17800000112.7S473 N506 G561S473-G563 WeakPolarHBondContact OG-CA 3.45Å; N506-G563 CarbonylContact C-O 3.54Å; N506-G563 WeakPolarHBondContact CA-O 3.07Å; N506-G563 PolarHBondContact N-O 2.83Å; N506-G563 PolarHBondContact O-N 3.26Å; N506-G563 VanDerWaalsContact O-N 3.14Å; G561-G563 PolarHBondContact O-N 3.1Å
564F88.1Confident74Confident0 Ų066.1 Ų66.10%038%0.375CS..EExtended strand (participates in β ladder)trans-148155.4-174.259.4-104.3000114.1V471 S473 W488 I504 L505 V507 L513 F549 L566V471-F564 HydrophobicContact CG1-CE2 4.43Å; S473-F564 PolarHBondContact N-O 3.01Å; S473-F564 PolarHBondContact OG-N 2.74Å; W488-F564 HydrophobicContact CH2-CE2 4.27Å; W488-F564 AromaticContact CH2-CZ 3.74Å; W488-F564 HydrophobicContact CH2-CZ 3.74Å; W488-F564 HydrophobicContact CZ3-CE2 4.48Å; W488-F564 AromaticContact CZ3-CZ 3.94Å; W488-F564 HydrophobicContact CZ3-CZ 3.94Å; I504-F564 VanDerWaalsContact O-CA 3.28Å; I504-F564 WeakPolarHBondContact O-CA 3.36Å; I504-F564 WeakPolarHBondContact O-CB 3.5Å; L505-F564 HydrophobicContact CD1-CB 4.09Å; V507-F564 HydrophobicContact CG2-CD1 3.97Å; L513-F564 HydrophobicContact CD1-CE1 4.38Å; L513-F564 HydrophobicContact CD1-CZ 4.18Å; L513-F564 HydrophobicContact CD2-CD1 4.3Å; L513-F564 HydrophobicContact CD2-CE1 4.49Å; L513-F564 HydrophobicContact CD2-CG 4.31Å; F549-F564 HydrophobicContact CB-CE1 3.96Å; F549-F564 HydrophobicContact CB-CZ 3.99Å; F549-F564 AromaticContact CD1-CE1 3.93Å; F549-F564 HydrophobicContact CD1-CE1 3.93Å; F549-F564 HydrophobicContact CD1-CZ 4.41Å; F549-F564 HydrophobicContact CD2-CD1 4.47Å; F549-F564 AromaticContact CD2-CE1 3.66Å; F549-F564 HydrophobicContact CD2-CE1 3.66Å; F549-F564 HydrophobicContact CE1-CE1 4.35Å; F549-F564 HydrophobicContact CE2-CE1 4.12Å; F549-F564 AromaticContact CG-CE1 3.55Å; F549-F564 HydrophobicContact CG-CE1 3.55Å; F549-F564 HydrophobicContact CG-CZ 4.05Å; F549-F564 HydrophobicContact CZ-CE1 4.43Å; F564-L566 HydrophobicContact CD2-CD1 3.89Å; F564-L566 HydrophobicContact CD2-CD2 4.38Å; F564-L566 HydrophobicContact CD2-CG 3.81Å; F564-L566 HydrophobicContact CE2-CD1 3.99Å; F564-L566 HydrophobicContact CE2-CG 4.38Å
565V88.3Confident73.8Confident11 Ų1165.6 Ų65.67%0.06736%0.363CS..EExtended strand (participates in β ladder)trans-135.2115.8174.2-1770000108V470 L472 W476 E503 I504V470-V565 HydrophobicContact CG1-CG1 3.77Å; L472-V565 HydrophobicContact CD2-CB 4.26Å; L472-V565 HydrophobicContact CD2-CG1 3.95Å; L472-V565 HydrophobicContact CD2-CG2 3.84Å; W476-V565 HydrophobicContact CD2-CG2 3.98Å; W476-V565 HydrophobicContact CE3-CG2 4.02Å; W476-V565 HydrophobicContact CH2-CG2 3.5Å; W476-V565 VanDerWaalsContact CH2-CG2 3.5Å; W476-V565 HydrophobicContact CZ2-CG2 3.39Å; W476-V565 HydrophobicContact CZ3-CG2 3.79Å; E503-V565 HydrophobicContact CB-CB 4.41Å; E503-V565 HydrophobicContact CB-CG1 4.32Å; E503-V565 PolarHBondContact N-O 2.85Å; I504-V565 HydrophobicContact CB-CB 4.02Å; I504-V565 HydrophobicContact CB-CG2 4.09Å; I504-V565 HydrophobicContact CD1-CB 4.5Å; I504-V565 HydrophobicContact CD1-CG2 4.02Å; I504-V565 HydrophobicContact CG1-CB 4.33Å; I504-V565 HydrophobicContact CG1-CG2 4.33Å; I504-V565 PolarHBondContact N-O 2.92Å; I504-V565 PolarHBondContact O-N 2.94Å
566L91.3Very high74.1Confident0 Ų063.8 Ų63.80%035%0.35CS..EExtended strand (participates in β ladder)trans-120.1121.2-178.1-42.6170.1000108.2V470 V471 L500 V502 L513 L547 F564V470-L566 CarbonylContact C-O 3.51Å; V470-L566 WeakPolarHBondContact CA-O 3.33Å; V471-L566 HydrophobicContact CB-CB 4.29Å; V471-L566 HydrophobicContact CB-CD1 4.32Å; V471-L566 PolarHBondContact N-O 2.55Å; V471-L566 PolarHBondContact O-N 2.92Å; L500-L566 HydrophobicContact CD1-CB 3.92Å; L500-L566 HydrophobicContact CD2-CB 4.46Å; L500-L566 HydrophobicContact CD2-CD1 4.44Å; L500-L566 HydrophobicContact CG-CB 4.34Å; V502-L566 HydrophobicContact CB-CD2 4.32Å; V502-L566 HydrophobicContact CG1-CD2 4.05Å; V502-L566 HydrophobicContact CG2-CD2 4.08Å; L513-L566 HydrophobicContact CD2-CD1 3.8Å; L513-L566 HydrophobicContact CD2-CD2 4.12Å; L547-L566 HydrophobicContact CD1-CD1 4.19Å; F564-L566 HydrophobicContact CD2-CD1 3.89Å; F564-L566 HydrophobicContact CD2-CD2 4.38Å; F564-L566 HydrophobicContact CD2-CG 3.81Å; F564-L566 HydrophobicContact CE2-CD1 3.99Å; F564-L566 HydrophobicContact CE2-CG 4.38Å
567H90.4Very high75.1Confident70 Ų7058.7 Ų58.732%0.32432%0.317SS..EExtended strand (participates in β ladder)trans-96.4123.1174-69.7-96.7000109.3G469 L500 Q501G469-H567 WeakPolarHBondContact O-CA 3.28Å; L500-H567 CarbonylContact C-O 3.58Å; L500-H567 WeakPolarHBondContact CA-O 3.21Å; Q501-H567 PolarHBondContact N-O 3.29Å; Q501-H567 PolarHBondContact O-N 2.86Å
568F93.7Very high76.5Confident8 Ų857.8 Ų57.84%0.03532%0.317CS..EExtended strand (participates in β ladder)trans-107.8152.2173.474.6-87.7000110.6L464 E466 A468 G469 V471 V490 I498 L500L464-F568 HydrophobicContact CB-CE1 4.28Å; L464-F568 HydrophobicContact CB-CZ 3.86Å; L464-F568 HydrophobicContact CD1-CE1 3.98Å; L464-F568 HydrophobicContact CD1-CZ 4.42Å; E466-F568 WeakPolarHBondContact O-CE2 3.29Å; A468-F568 WeakPolarHBondContact CA-O 3.03Å; G469-F568 VanDerWaalsContact C-CD1 3.41Å; G469-F568 PolarHBondContact N-O 2.87Å; G469-F568 WeakPolarHBondContact O-CD1 3.13Å; G469-F568 PolarHBondContact O-N 3.19Å; V471-F568 HydrophobicContact CG2-CD1 3.99Å; V471-F568 HydrophobicContact CG2-CE1 4.25Å; V490-F568 HydrophobicContact CG1-CD2 3.47Å; V490-F568 VanDerWaalsContact CG1-CD2 3.47Å; V490-F568 HydrophobicContact CG1-CE2 3.55Å; V490-F568 HydrophobicContact CG1-CG 3.99Å; V490-F568 HydrophobicContact CG1-CZ 4.15Å; I498-F568 HydrophobicContact CG2-CB 3.96Å; L500-F568 HydrophobicContact CD1-CB 3.66Å
569K91.9Very high78Confident105 Ų10558 Ų5846%0.45731%0.305SS..EExtended strand (participates in β ladder)trans-154.9153.2167.763.8174.6-170.4165.10111.6P467 A468 L499 V571P467-K569 CarbonylContact O-C 3.58Å; P467-K569 WeakPolarHBondContact O-CA 3.46Å; A468-K569 HydrophobicContact CB-CB 3.8Å; L499-K569 HydrophobicContact CB-CG 4.34Å; L499-K569 PolarHBondContact N-O 2.92Å; L499-K569 PolarHBondContact O-N 2.79Å; L499-K569 VanDerWaalsContact O-N 3.17Å; K569-V571 HydrophobicContact CG-CG1 4.44Å
570E91.4Very high79.6Confident58 Ų5857.3 Ų57.327%0.27129%0.292SS..EExtended strand (participates in β ladder)trans-62.8145.8164.669.6165.3-135.600111P467 V492 K496 R497P467-E570 HydrophobicContact CB-CG 4.02Å; P467-E570 PolarHBondContact O-N 2.88Å; V492-E570 HydrophobicContact CB-CB 4.24Å; V492-E570 HydrophobicContact CG1-CB 4.05Å; K496-E570 HydrophobicContact CB-CB 4.34Å; K496-E570 VanDerWaalsContact CE-OE1 3.31Å; K496-E570 WeakPolarHBondContact CE-OE1 3.32Å; K496-E570 HydrophobicContact CG-CB 4.45Å; R497-E570 CarbonylContact O-C 3.58Å; R497-E570 WeakPolarHBondContact O-CA 3.36Å
571V87.1Confident81Confident23 Ų2354.2 Ų54.214%0.13928%0.281CS..EExtended strand (participates in β ladder)trans-139.2154.4166.9-680000109R497 L499 L539 K569R497-V571 HydrophobicContact CB-CG2 4.02Å; R497-V571 PolarHBondContact N-O 3.28Å; R497-V571 WeakPolarHBondContact O-CG2 3.39Å; R497-V571 PolarHBondContact O-N 2.65Å; L499-V571 HydrophobicContact CB-CB 4.5Å; L499-V571 HydrophobicContact CB-CG1 3.69Å; L499-V571 HydrophobicContact CB-CG2 3.94Å; L499-V571 HydrophobicContact CD2-CG1 3.88Å; L499-V571 HydrophobicContact CG-CG1 4.45Å; L539-V571 HydrophobicContact CD1-CG2 3.59Å; K569-V571 HydrophobicContact CG-CG1 4.44Å
572P79.1Confident82.7Confident100 Ų10057.9 Ų57.965%0.64931%0.305SS*.EExtended strand (participates in β ladder)trans-55149.9169.4-24.334.5000111.5N574P572-N574 VanDerWaalsContact C-N 3.26Å; P572-N574 PolarHBondContact O-N 3.2Å
573R70.3Confident83.8Confident120 Ų12053.3 Ų53.345%0.45329%0.285SS..  trans-69.380.8177.8-165.6178-167.8-143.16.1111.1E495 R497 D575E495-R573 WeakPolarHBondContact O-CB 3.02Å; R497-R573 HydrophobicContact CG-CG 4.27Å; R573-D575 PolarHBondContact O-N 2.85Å
574N64.4Low84.1Confident103 Ų10361 Ų6155%0.55132%0.321SS*.  trans-72.651.5-174.5-159.8106.4000113.2P572 L623P572-N574 VanDerWaalsContact C-N 3.26Å; P572-N574 PolarHBondContact O-N 3.2Å; N574-L623 WeakPolarHBondContact O-CD1 3.04Å
575D64.3Low84.2Confident30 Ų3067.7 Ų67.716%0.1635%0.346CS..  trans-100.28.3164.8-88.32.5000111.7R497 R573 I596 R597 L623R497-D575 IonicContact CZ-OD1 3.99Å; R497-D575 IonicContact CZ-OD2 3.44Å; R497-D575 IonicContact NH1-OD1 2.99Å; R497-D575 PolarHBondContact NH1-OD1 3.17Å; R497-D575 IonicContact NH1-OD2 3.52Å; R497-D575 PolarHBondContact NH1-OD2 2.79Å; R497-D575 VanDerWaalsContact NH2-CG 3.26Å; R497-D575 IonicContact NH2-OD1 3.28Å; R497-D575 PolarHBondContact NH2-OD1 3.15Å; R497-D575 IonicContact NH2-OD2 2.73Å; R497-D575 PolarHBondContact NH2-OD2 2.81Å; R573-D575 PolarHBondContact O-N 2.85Å; D575-I596 WeakPolarHBondContact O-CA 3.32Å; D575-R597 PolarHBondContact O-N 2.71Å; D575-R597 IonicContact OD1-CZ 3.2Å; D575-R597 IonicContact OD1-NH1 3.76Å; D575-R597 PolarHBondContact OD1-NH1 3.08Å; D575-R597 IonicContact OD1-NH2 2.73Å; D575-R597 IonicContact OD2-NH1 3.99Å; D575-R597 PolarHBondContact OD2-NH1 2.99Å; D575-L623 WeakPolarHBondContact O-CD2 3.41Å
576T71.6Confident84.3Confident55 Ų5568 Ų6834%0.33735%0.351SS..BIsolated β-bridgetrans-84.7134.7178.443.90000111.9L595 I596T576-L595 CarbonylContact C-O 3.6Å; T576-L595 VanDerWaalsContact CA-O 3.3Å; T576-L595 WeakPolarHBondContact CA-O 3.3Å; T576-I596 HydrophobicContact CG2-CG2 3.96Å
577C80Confident84.3Confident5 Ų573.1 Ų73.13%0.03437%0.371CS..PPolyproline II helixtrans-70.1156.6166.1-78.30000110.9L595 C619 L623 S624 W625C577-L595 PolarHBondContact N-O 2.8Å; C577-C619 HydrophobicContact CB-CB 3.86Å; C577-C619 WeakPolarHBondContact CB-SG 3.4Å; C577-C619 WeakPolarHBondContact SG-CA 3.38Å; C577-C619 WeakPolarHBondContact SG-CB 3.33Å; C577-C619 CovalentContact SG-SG 2.03Å; C577-C619 PolarHBondContact SG-SG 2.84Å; C577-L623 PolarHBondContact SG-O 2.87Å; C577-L623 VanDerWaalsContact SG-O 3.39Å; C577-S624 PolarHBondContact SG-O 2.04Å; C577-S624 VanDerWaalsContact SG-O 3.41Å; C577-W625 HydrophobicContact CB-CD2 4.24Å; C577-W625 HydrophobicContact CB-CH2 4.33Å; C577-W625 HydrophobicContact CB-CZ2 3.6Å
578P84.3Confident84.4Confident83 Ų8372.8 Ų72.854%0.53937%0.367SS..PPolyproline II helixtrans-54.9140.3176.1-25.434000112.4L580 L623 W625P578-L580 PolarHBondContact O-N 2.77Å; P578-L623 VanDerWaalsContact CD-O 3.29Å; P578-L623 WeakPolarHBondContact CD-O 3.26Å; P578-W625 PolarHBondContact O-NE1 2.9Å
579E83.6Confident84.4Confident144 Ų14475.6 Ų75.667%0.67339%0.385SS*.PPolyproline II helixtrans-69.1132.2176.1-177.9159.4-139.700111.6R588 L595E579-R588 IonicContact OE1-CZ 3.26Å; E579-R588 IonicContact OE1-NH1 2.92Å; E579-R588 IonicContact OE1-NH2 2.72Å; E579-R588 PolarHBondContact OE1-NH2 3.21Å; E579-L595 HydrophobicContact CB-CD1 4Å; E579-L595 HydrophobicContact CG-CD1 4.16Å
580L89.1Confident84.3Confident25 Ų2573 Ų7313%0.13138%0.383CS..  trans-106.2137.8174.5-62.3179000109.8P578 R588 L601 Y603 L617 W625 P629P578-L580 PolarHBondContact O-N 2.77Å; L580-R588 PolarHBondContact O-NE 3.44Å; L580-R588 VanDerWaalsContact O-NE 3.08Å; L580-R588 PolarHBondContact O-NH1 3.45Å; L580-R588 VanDerWaalsContact O-NH1 3.15Å; L580-R588 PolarHBondContact O-NH2 2.88Å; L580-L601 HydrophobicContact CD1-CD1 4.31Å; L580-Y603 WeakPolarHBondContact CB-OH 3.39Å; L580-L617 HydrophobicContact CD1-CD2 3.56Å; L580-W625 HydrophobicContact CD1-CB 4.48Å; L580-W625 HydrophobicContact CD1-CD2 4.05Å; L580-W625 HydrophobicContact CD1-CG 3.79Å; L580-W625 HydrophobicContact CG-CG 4.48Å; L580-P629 HydrophobicContact CD1-CB 4.4Å; L580-P629 HydrophobicContact CD2-CG 4.4Å
581P87.5Confident84Confident85 Ų8573.5 Ų73.555%0.55239%0.393SS*.PPolyproline II helixtrans-68.8159.4176.230.5-35.7000111.9
582P89.3Confident83.5Confident78 Ų7877.5 Ų77.551%0.50641%0.41SS..PPolyproline II helixtrans-63155.2161.631.1-35000110.5R588P582-R588 HydrophobicContact CB-CG 4.42Å
583P91.4Very high83.1Confident16 Ų1676.6 Ų76.610%0.10442%0.419CS..PPolyproline II helixtrans-75.3151.7176.233.4-33.1000110.5W585 G586 Y603P583-W585 PolarHBondContact O-N 3.44Å; P583-G586 PolarHBondContact O-N 3.17Å; P583-Y603 HydrophobicContact CG-CD1 4.08Å
584E88.8Confident83.2Confident161 Ų16176.3 Ų76.375%0.75243%0.426SS*.THydrogen-bonded Turntrans-62.1134.5167.9-64.8-171.216700109.8G586 C632E584-G586 VanDerWaalsContact C-N 3.32Å; E584-G586 PolarHBondContact O-N 2.87Å; E584-C632 WeakPolarHBondContact O-CB 3.26Å
585W89.4Confident84.1Confident142 Ų14272.5 Ų72.554%0.53841%0.406SS..THydrogen-bonded Turntrans58.339.8-175.4-41.7106.2000113.7P583 E606 Y609P583-W585 PolarHBondContact O-N 3.44Å; W585-E606 WeakPolarHBondContact O-CB 3.17Å; W585-E606 PolarHBondContact O-N 3.46Å; W585-Y609 HydrophobicContact CB-CD1 3.99Å; W585-Y609 HydrophobicContact CB-CD2 3.97Å; W585-Y609 HydrophobicContact CB-CE1 3.76Å; W585-Y609 HydrophobicContact CB-CE2 3.72Å; W585-Y609 HydrophobicContact CB-CG 4.12Å; W585-Y609 AromaticContact CD1-CE1 3.74Å; W585-Y609 AromaticContact CD1-CZ 3.88Å; W585-Y609 HydrophobicContact CG-CD1 4.46Å; W585-Y609 AromaticContact CG-CE1 3.78Å; W585-Y609 HydrophobicContact CG-CE1 3.78Å; W585-Y609 HydrophobicContact CG-CE2 4.08Å; W585-Y609 AromaticContact CG-CZ 3.55Å
586G90.6Very high84.9Confident17 Ų1773.5 Ų73.518%0.17541%0.41CS..EExtended strand (participates in β ladder)trans-167.3-171.1171.900000112.7P583 E584 Q604P583-G586 PolarHBondContact O-N 3.17Å; E584-G586 VanDerWaalsContact C-N 3.32Å; E584-G586 PolarHBondContact O-N 2.87Å; G586-Q604 CarbonylContact C-O 3.48Å; G586-Q604 WeakPolarHBondContact CA-O 2.93Å
587W92.2Very high85.3Confident108 Ų10876.1 Ų76.141%0.40941%0.414SS..EExtended strand (participates in β ladder)trans-140.8162.8178.362.696.1000111.6Q604 E606W587-Q604 HydrophobicContact CD2-CB 4.17Å; W587-Q604 HydrophobicContact CH2-CB 4.25Å; W587-Q604 HydrophobicContact CZ2-CB 3.67Å; W587-Q604 VanDerWaalsContact CZ2-OE1 3.22Å; W587-Q604 PolarHBondContact N-O 3.14Å; W587-Q604 PolarHBondContact O-N 3.04Å; W587-E606 HydrophobicContact CZ3-CG 4.23Å
588R93Very high85.3Confident62 Ų6278 Ų7823%0.23444%0.435CS..EExtended strand (participates in β ladder)trans-115.7146.8168.166.7174.3-179.81381.8109.9E579 L580 P582 T602 Y603E579-R588 IonicContact OE1-CZ 3.26Å; E579-R588 IonicContact OE1-NH1 2.92Å; E579-R588 IonicContact OE1-NH2 2.72Å; E579-R588 PolarHBondContact OE1-NH2 3.21Å; L580-R588 PolarHBondContact O-NE 3.44Å; L580-R588 VanDerWaalsContact O-NE 3.08Å; L580-R588 PolarHBondContact O-NH1 3.45Å; L580-R588 VanDerWaalsContact O-NH1 3.15Å; L580-R588 PolarHBondContact O-NH2 2.88Å; P582-R588 HydrophobicContact CB-CG 4.42Å; R588-T602 CarbonylContact C-O 3.59Å; R588-T602 VanDerWaalsContact CA-O 3.32Å; R588-T602 WeakPolarHBondContact CA-O 3.35Å; R588-Y603 HydrophobicContact CB-CD1 4.04Å; R588-Y603 HydrophobicContact CB-CE1 3.86Å; R588-Y603 HydrophobicContact CB-CG 4.45Å
589T92.5Very high85.4Confident68 Ų6874.1 Ų74.142%0.41741%0.409SS..EExtended strand (participates in β ladder)trans-119.9154.7164.257.90000109.6L601 T602T589-L601 CarbonylContact O-C 3.43Å; T589-L601 VanDerWaalsContact O-CA 3.31Å; T589-L601 WeakPolarHBondContact O-CA 3.36Å; T589-T602 PolarHBondContact N-O 3.29Å; T589-T602 PolarHBondContact O-N 3.44Å
590A89.4Confident85.8Confident50 Ų5069.2 Ų69.241%0.41339%0.389SS..EExtended strand (participates in β ladder)trans-119.4146.3179.200000110.5H592 T599 V600 L601A590-H592 VanDerWaalsContact C-N 3.28Å; A590-H592 VanDerWaalsContact CB-O 3.3Å; A590-H592 WeakPolarHBondContact CB-O 3.29Å; A590-H592 PolarHBondContact O-N 3.3Å; A590-T599 HydrophobicContact CB-CG2 4.48Å; A590-V600 CarbonylContact C-O 3.55Å; A590-V600 WeakPolarHBondContact CA-O 3.17Å; A590-L601 HydrophobicContact CB-CD2 3.67Å
591S85.9Confident86Confident68 Ų6868 Ų6848%0.47638%0.382SS..SBendtrans-73.3-18.6176.263.10000114.1V600S591-V600 PolarHBondContact N-O 2.9Å; S591-V600 PolarHBondContact OG-N 3.03Å
592H75.9Confident86.3Confident108 Ų10866 Ų6650%0.537%0.368SS..SBendtrans-140.9159.3177.5-61.282.7000109.4A590 T599A590-H592 VanDerWaalsContact C-N 3.28Å; A590-H592 VanDerWaalsContact CB-O 3.3Å; A590-H592 WeakPolarHBondContact CB-O 3.29Å; A590-H592 PolarHBondContact O-N 3.3Å; H592-T599 HydrophobicContact CB-CG2 4.43Å
593G72.3Confident86.6Confident81 Ų8162.4 Ų62.484%0.83535%0.345SS*.SBendtrans-63.9-40.7175.900000112.8
594D72.6Confident86.7Confident114 Ų11465.9 Ų65.961%0.6136%0.36SS*.SBendtrans-93.7142176.6-60.7-63.8000112.4I596 T599D594-I596 HydrophobicContact CB-CG2 3.98Å; D594-I596 PolarHBondContact O-N 3.45Å; D594-T599 PolarHBondContact O-OG1 2.96Å
595L82.8Confident86.9Confident23 Ų2359.3 Ų59.312%0.1233%0.331CS..  trans-79.738.7-178.5-57.2-179.3000113.4T576 C577 E579 T599 L601 W625T576-L595 CarbonylContact C-O 3.6Å; T576-L595 VanDerWaalsContact CA-O 3.3Å; T576-L595 WeakPolarHBondContact CA-O 3.3Å; C577-L595 PolarHBondContact N-O 2.8Å; E579-L595 HydrophobicContact CB-CD1 4Å; E579-L595 HydrophobicContact CG-CD1 4.16Å; L595-T599 HydrophobicContact CD2-CG2 4.35Å; L595-L601 HydrophobicContact CD2-CD2 3.99Å; L595-W625 HydrophobicContact CB-CZ2 4.35Å; L595-W625 HydrophobicContact CD1-CZ2 4.46Å; L595-W625 HydrophobicContact CD2-CH2 4.38Å; L595-W625 HydrophobicContact CD2-CZ2 4.46Å
596I81Confident86.9Confident51 Ų5156.4 Ų56.426%0.26232%0.324SS..BIsolated β-bridgetrans-68.5167.1-17758.7171.8000113.8D575 T576 D594 G598 T599 C619D575-I596 WeakPolarHBondContact O-CA 3.32Å; T576-I596 HydrophobicContact CG2-CG2 3.96Å; D594-I596 HydrophobicContact CB-CG2 3.98Å; D594-I596 PolarHBondContact O-N 3.45Å; I596-G598 PolarHBondContact O-N 2.73Å; I596-T599 WeakPolarHBondContact CG1-OG1 3.36Å; I596-T599 PolarHBondContact N-OG1 2.92Å; I596-T599 WeakPolarHBondContact O-CB 3.31Å; I596-T599 PolarHBondContact O-N 2.99Å; I596-T599 PolarHBondContact O-OG1 2.76Å; I596-C619 WeakPolarHBondContact O-CB 3.03Å; I596-C619 PolarHBondContact O-SG 2.99Å
597R80.3Confident86.7Confident110 Ų11060.6 Ų60.642%0.41535%0.348SS..THydrogen-bonded Turntrans-44.4128.5170.2-71.5-170.2176.394.19.8112D575 T599 W621 L623D575-R597 PolarHBondContact O-N 2.71Å; D575-R597 IonicContact OD1-CZ 3.2Å; D575-R597 IonicContact OD1-NH1 3.76Å; D575-R597 PolarHBondContact OD1-NH1 3.08Å; D575-R597 IonicContact OD1-NH2 2.73Å; D575-R597 IonicContact OD2-NH1 3.99Å; D575-R597 PolarHBondContact OD2-NH1 2.99Å; R597-T599 VanDerWaalsContact C-N 3.26Å; R597-T599 PolarHBondContact O-N 2.86Å; R597-W621 PolarHBondContact NE-O 3.47Å; R597-W621 PolarHBondContact NH2-O 2.8Å; R597-L623 HydrophobicContact CG-CD2 3.69Å
598G80.5Confident86.2Confident45 Ų4555.8 Ų55.846%0.46433%0.332SS..THydrogen-bonded Turntrans80.7-6.9-177.900000115.1I596 V600 C619I596-G598 PolarHBondContact O-N 2.73Å; G598-V600 PolarHBondContact O-N 3.4Å; G598-C619 PolarHBondContact N-O 2.95Å
599T85.8Confident86Confident0 Ų055.4 Ų55.40%033%0.331CS..  trans-61.5137.6166.8-67.20000109.5A590 H592 D594 L595 I596 R597 C619A590-T599 HydrophobicContact CB-CG2 4.48Å; H592-T599 HydrophobicContact CB-CG2 4.43Å; D594-T599 PolarHBondContact O-OG1 2.96Å; L595-T599 HydrophobicContact CD2-CG2 4.35Å; I596-T599 WeakPolarHBondContact CG1-OG1 3.36Å; I596-T599 PolarHBondContact N-OG1 2.92Å; I596-T599 WeakPolarHBondContact O-CB 3.31Å; I596-T599 PolarHBondContact O-N 2.99Å; I596-T599 PolarHBondContact O-OG1 2.76Å; R597-T599 VanDerWaalsContact C-N 3.26Å; R597-T599 PolarHBondContact O-N 2.86Å; T599-C619 PolarHBondContact O-N 3.49Å
600V92.4Very high85.8Confident41 Ų4156.5 Ų56.525%0.24833%0.331CS..EExtended strand (participates in β ladder)trans-113.4128.9-177.5-178.20000108.1A590 S591 G598 I616 L617 T618A590-V600 CarbonylContact C-O 3.55Å; A590-V600 WeakPolarHBondContact CA-O 3.17Å; S591-V600 PolarHBondContact N-O 2.9Å; S591-V600 PolarHBondContact OG-N 3.03Å; G598-V600 PolarHBondContact O-N 3.4Å; V600-I616 HydrophobicContact CG1-CG2 3.49Å; V600-I616 VanDerWaalsContact CG1-CG2 3.49Å; V600-L617 CarbonylContact C-O 3.59Å; V600-L617 WeakPolarHBondContact CA-O 3.31Å; V600-T618 HydrophobicContact CG2-CG2 4.34Å
601L93.3Very high86Confident0 Ų056.6 Ų56.60%032%0.324CS..EExtended strand (participates in β ladder)trans-101.3129169.3-67.1178.7000109.4L580 T589 A590 L595 Y603 I616 L617 W625L580-L601 HydrophobicContact CD1-CD1 4.31Å; T589-L601 CarbonylContact O-C 3.43Å; T589-L601 VanDerWaalsContact O-CA 3.31Å; T589-L601 WeakPolarHBondContact O-CA 3.36Å; A590-L601 HydrophobicContact CB-CD2 3.67Å; L595-L601 HydrophobicContact CD2-CD2 3.99Å; L601-Y603 HydrophobicContact CB-CD2 4.42Å; L601-Y603 HydrophobicContact CB-CE2 3.79Å; L601-Y603 HydrophobicContact CD1-CE2 4.33Å; L601-I616 WeakPolarHBondContact O-CA 3.06Å; L601-L617 HydrophobicContact CB-CB 4.33Å; L601-L617 PolarHBondContact N-O 2.8Å; L601-L617 PolarHBondContact O-N 2.89Å; L601-W625 HydrophobicContact CB-CZ3 4.4Å; L601-W625 HydrophobicContact CD1-CE3 4.35Å; L601-W625 HydrophobicContact CD1-CH2 3.48Å; L601-W625 VanDerWaalsContact CD1-CH2 3.48Å; L601-W625 HydrophobicContact CD1-CZ2 3.65Å; L601-W625 HydrophobicContact CD1-CZ3 3.83Å; L601-W625 HydrophobicContact CG-CH2 3.57Å; L601-W625 HydrophobicContact CG-CZ2 4.26Å; L601-W625 HydrophobicContact CG-CZ3 3.79Å
602T93.9Very high86.3Confident42 Ų4257.4 Ų57.426%0.25832%0.323SS..EExtended strand (participates in β ladder)trans-111.3127.1173.9-55.20000109.3R588 T589 D615R588-T602 CarbonylContact C-O 3.59Å; R588-T602 VanDerWaalsContact CA-O 3.32Å; R588-T602 WeakPolarHBondContact CA-O 3.35Å; T589-T602 PolarHBondContact N-O 3.29Å; T589-T602 PolarHBondContact O-N 3.44Å; T602-D615 CarbonylContact C-O 3.57Å; T602-D615 WeakPolarHBondContact CA-O 3.44Å
603Y94.4Very high86.9Confident4 Ų455.3 Ų55.32%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-105.7137.6-177.9-73.5-99.1000111.2L580 P583 R588 L601 D615 L617 P630L580-Y603 WeakPolarHBondContact CB-OH 3.39Å; P583-Y603 HydrophobicContact CG-CD1 4.08Å; R588-Y603 HydrophobicContact CB-CD1 4.04Å; R588-Y603 HydrophobicContact CB-CE1 3.86Å; R588-Y603 HydrophobicContact CB-CG 4.45Å; L601-Y603 HydrophobicContact CB-CD2 4.42Å; L601-Y603 HydrophobicContact CB-CE2 3.79Å; L601-Y603 HydrophobicContact CD1-CE2 4.33Å; Y603-D615 PolarHBondContact N-O 3.01Å; Y603-L617 HydrophobicContact CD2-CD1 4.2Å; Y603-L617 HydrophobicContact CE2-CB 4.37Å; Y603-L617 HydrophobicContact CE2-CD1 4.13Å; Y603-L617 HydrophobicContact CE2-CD2 4.09Å; Y603-L617 HydrophobicContact CE2-CG 4.43Å; Y603-P630 HydrophobicContact CD1-CG 3.7Å; Y603-P630 HydrophobicContact CD2-CG 4.03Å; Y603-P630 HydrophobicContact CE1-CG 4.41Å; Y603-P630 HydrophobicContact CG-CG 3.49Å; Y603-P630 VanDerWaalsContact CG-CG 3.49Å
604Q93.1Very high87.9Confident88 Ų8853.9 Ų53.941%0.41131%0.308SS..EExtended strand (participates in β ladder)trans-140.5144.9-179-62.8179.812.900109.9G586 W587G586-Q604 CarbonylContact C-O 3.48Å; G586-Q604 WeakPolarHBondContact CA-O 2.93Å; W587-Q604 HydrophobicContact CD2-CB 4.17Å; W587-Q604 HydrophobicContact CH2-CB 4.25Å; W587-Q604 HydrophobicContact CZ2-CB 3.67Å; W587-Q604 VanDerWaalsContact CZ2-OE1 3.22Å; W587-Q604 PolarHBondContact N-O 3.14Å; W587-Q604 PolarHBondContact O-N 3.04Å
605C92.9Very high88.8Confident23 Ų2352.7 Ų52.716%0.15530%0.302CS..EExtended strand (participates in β ladder)trans-103.9157.1-179.7-61.70000112.3L611 C632C605-L611 WeakPolarHBondContact SG-CD1 3.27Å; C605-C632 VanDerWaalsContact CA-SG 3.51Å; C605-C632 HydrophobicContact CB-CB 3.81Å; C605-C632 WeakPolarHBondContact CB-SG 3.46Å; C605-C632 VanDerWaalsContact SG-CA 3.56Å; C605-C632 WeakPolarHBondContact SG-CB 3.22Å; C605-C632 CovalentContact SG-SG 2.04Å; C605-C632 PolarHBondContact SG-SG 3.33Å
606E89.8Confident89.3Confident81 Ų8155.5 Ų55.538%0.37932%0.316SS..  trans-66.3152.3175-72.8-177.7167.900112.9W585 W587 G608 Y609W585-E606 WeakPolarHBondContact O-CB 3.17Å; W585-E606 PolarHBondContact O-N 3.46Å; W587-E606 HydrophobicContact CZ3-CG 4.23Å; E606-G608 PolarHBondContact O-N 2.68Å; E606-Y609 HydrophobicContact CB-CD2 4.1Å; E606-Y609 PolarHBondContact O-N 3.08Å
607P86.4Confident89.9Confident106 Ų10653 Ų5369%0.68830%0.303SS*.THydrogen-bonded Turntrans-56.3114.4179.4-26.335.4000113G686P607-G686 WeakPolarHBondContact O-CA 3.44Å; P607-G686 PolarHBondContact O-N 3.28Å; P607-G686 VanDerWaalsContact O-N 3.12Å
608G82.3Confident90.4Very high7 Ų750.2 Ų50.27%0.07230%0.298CS..THydrogen-bonded Turntrans111.8-4.3-174.900000114.2E606 I635E606-G608 PolarHBondContact O-N 2.68Å; G608-I635 WeakPolarHBondContact O-CB 3.29Å; G608-I635 PolarHBondContact O-N 2.96Å
609Y88.7Confident90.8Very high54 Ų5448.2 Ų48.221%0.21228%0.277CS..EExtended strand (participates in β ladder)trans-112.9150.1171.4-63.8-101.2000111.2W585 E606 C632 Q633 K634W585-Y609 HydrophobicContact CB-CD1 3.99Å; W585-Y609 HydrophobicContact CB-CD2 3.97Å; W585-Y609 HydrophobicContact CB-CE1 3.76Å; W585-Y609 HydrophobicContact CB-CE2 3.72Å; W585-Y609 HydrophobicContact CB-CG 4.12Å; W585-Y609 AromaticContact CD1-CE1 3.74Å; W585-Y609 AromaticContact CD1-CZ 3.88Å; W585-Y609 HydrophobicContact CG-CD1 4.46Å; W585-Y609 AromaticContact CG-CE1 3.78Å; W585-Y609 HydrophobicContact CG-CE1 3.78Å; W585-Y609 HydrophobicContact CG-CE2 4.08Å; W585-Y609 AromaticContact CG-CZ 3.55Å; E606-Y609 HydrophobicContact CB-CD2 4.1Å; E606-Y609 PolarHBondContact O-N 3.08Å; Y609-C632 HydrophobicContact CD1-CB 4.33Å; Y609-C632 HydrophobicContact CG-CB 4.46Å; Y609-Q633 CarbonylContact C-O 3.52Å; Y609-Q633 WeakPolarHBondContact CA-O 3.47Å; Y609-K634 HydrophobicContact CD1-CB 3.87Å; Y609-K634 HydrophobicContact CE1-CB 3.64Å; Y609-K634 HydrophobicContact CE1-CG 4.27Å
610E89Confident90.8Very high91 Ų9152 Ų5243%0.42529%0.294SS..EExtended strand (participates in β ladder)trans-110.7148.1171.760-175.3-168.200110.9C632 Q633 I635E610-C632 CarbonylContact O-C 3.59Å; E610-C632 WeakPolarHBondContact O-CA 3.46Å; E610-Q633 HydrophobicContact CG-CB 4.43Å; E610-Q633 PolarHBondContact N-O 2.89Å; E610-Q633 PolarHBondContact O-N 3.42Å; E610-I635 HydrophobicContact CB-CD1 4.04Å; E610-I635 HydrophobicContact CB-CG1 3.86Å; E610-I635 HydrophobicContact CG-CG1 3.91Å
611L91.9Very high89.9Confident51 Ų5159.8 Ų59.827%0.26732%0.32SS..EExtended strand (participates in β ladder)trans-86.8124.2-177.8-168.782000111C605 D615 P630C605-L611 WeakPolarHBondContact SG-CD1 3.27Å; L611-D615 VanDerWaalsContact CD2-CA 3.44Å; L611-D615 HydrophobicContact CD2-CB 3.69Å; L611-P630 HydrophobicContact CD1-CB 3.72Å; L611-P630 HydrophobicContact CD1-CG 3.76Å; L611-P630 HydrophobicContact CD2-CB 4.19Å; L611-P630 HydrophobicContact CD2-CG 4.29Å; L611-P630 HydrophobicContact CG-CB 3.89Å; L611-P630 HydrophobicContact CG-CG 4.29Å
612L92.6Very high89.3Confident86 Ų8663.8 Ų63.845%0.4534%0.341SS..EExtended strand (participates in β ladder)trans-104.7105.8172.3-58.6-176.9000110.3P630 A631 Q633L612-P630 VanDerWaalsContact O-CA 3.27Å; L612-P630 WeakPolarHBondContact O-CA 3.34Å; L612-P630 VanDerWaalsContact O-CB 3.29Å; L612-P630 WeakPolarHBondContact O-CB 3.47Å; L612-A631 PolarHBondContact N-O 3.01Å; L612-A631 PolarHBondContact O-N 3.15Å; L612-Q633 HydrophobicContact CD1-CB 3.78Å; L612-Q633 HydrophobicContact CG-CB 4.14Å
613G89.4Confident88.5Confident64 Ų6463.6 Ų63.666%0.6634%0.338SS*.SBendtrans134.4-156.4178.100000111.8
614S92.1Very high88.2Confident50 Ų5065.2 Ų65.235%0.3535%0.35SS..  trans-82.9129.1171.2-62.90000110.3I616 L617 P630S614-I616 VanDerWaalsContact C-N 3.3Å; S614-L617 WeakPolarHBondContact O-CD1 3.45Å; S614-P630 WeakPolarHBondContact O-CG 3.41Å
615D91.9Very high88.1Confident90 Ų9062.4 Ų62.448%0.48134%0.336SS..SBendtrans-69.3-28.9170.261.2-28.5000112.6T602 Y603 L611T602-D615 CarbonylContact C-O 3.57Å; T602-D615 WeakPolarHBondContact CA-O 3.44Å; Y603-D615 PolarHBondContact N-O 3.01Å; L611-D615 VanDerWaalsContact CD2-CA 3.44Å; L611-D615 HydrophobicContact CD2-CB 3.69Å
616I93.4Very high88Confident81 Ų8164.1 Ų64.142%0.41535%0.348SS..EExtended strand (participates in β ladder)trans-121.1122.9-178.1-62.1174.3000110.4V600 L601 S614V600-I616 HydrophobicContact CG1-CG2 3.49Å; V600-I616 VanDerWaalsContact CG1-CG2 3.49Å; L601-I616 WeakPolarHBondContact O-CA 3.06Å; S614-I616 VanDerWaalsContact C-N 3.3Å
617L93.1Very high88.1Confident0 Ų061.8 Ų61.80%034%0.343CS..EExtended strand (participates in β ladder)trans-116.9131.7173.8-87.968.7000109.9L580 V600 L601 Y603 S614 W625 A627L580-L617 HydrophobicContact CD1-CD2 3.56Å; V600-L617 CarbonylContact C-O 3.59Å; V600-L617 WeakPolarHBondContact CA-O 3.31Å; L601-L617 HydrophobicContact CB-CB 4.33Å; L601-L617 PolarHBondContact N-O 2.8Å; L601-L617 PolarHBondContact O-N 2.89Å; Y603-L617 HydrophobicContact CD2-CD1 4.2Å; Y603-L617 HydrophobicContact CE2-CB 4.37Å; Y603-L617 HydrophobicContact CE2-CD1 4.13Å; Y603-L617 HydrophobicContact CE2-CD2 4.09Å; Y603-L617 HydrophobicContact CE2-CG 4.43Å; S614-L617 WeakPolarHBondContact O-CD1 3.45Å; L617-W625 HydrophobicContact CB-CE3 3.99Å; L617-W625 HydrophobicContact CD2-CB 4.38Å; L617-A627 HydrophobicContact CD1-CB 4.28Å; L617-A627 WeakPolarHBondContact CD2-O 3.35Å; L617-A627 HydrophobicContact CG-CB 4.2Å
618T91.9Very high88.2Confident50 Ų5060.4 Ų60.431%0.30734%0.34SS..EExtended strand (participates in β ladder)trans-116.7136.2-179.1-55.30000111.2V600 Q620 W625 S626V600-T618 HydrophobicContact CG2-CG2 4.34Å; T618-Q620 PolarHBondContact O-N 3.49Å; T618-W625 VanDerWaalsContact C-CE3 3.45Å; T618-S626 PolarHBondContact N-OG 3.48Å; T618-S626 PolarHBondContact O-N 2.9Å
619C89.4Confident88.6Confident3 Ų363.1 Ų63.12%0.0236%0.356CS..BIsolated β-bridgetrans-74.4115.9174.5179.50000110.5C577 I596 G598 T599 W625C577-C619 HydrophobicContact CB-CB 3.86Å; C577-C619 WeakPolarHBondContact CB-SG 3.4Å; C577-C619 WeakPolarHBondContact SG-CA 3.38Å; C577-C619 WeakPolarHBondContact SG-CB 3.33Å; C577-C619 CovalentContact SG-SG 2.03Å; C577-C619 PolarHBondContact SG-SG 2.84Å; I596-C619 WeakPolarHBondContact O-CB 3.03Å; I596-C619 PolarHBondContact O-SG 2.99Å; G598-C619 PolarHBondContact N-O 2.95Å; T599-C619 PolarHBondContact O-N 3.49Å; C619-W625 HydrophobicContact CB-CE3 4.22Å; C619-W625 HydrophobicContact CB-CH2 3.96Å; C619-W625 HydrophobicContact CB-CZ3 3.81Å
620Q84.8Confident88.8Confident79 Ų7961 Ų6137%0.36935%0.349SS..  trans-85.5171.4-171.9-61.2-167100.700113.1T618 D622 L623 S624T618-Q620 PolarHBondContact O-N 3.49Å; Q620-D622 VanDerWaalsContact CB-OD1 3.29Å; Q620-D622 WeakPolarHBondContact CB-OD1 3.39Å; Q620-D622 PolarHBondContact O-N 3.32Å; Q620-L623 PolarHBondContact O-N 2.83Å; Q620-L623 VanDerWaalsContact O-N 3.08Å; Q620-S624 WeakPolarHBondContact CB-O 3.3Å; Q620-S624 PolarHBondContact N-O 2.95Å; Q620-S624 PolarHBondContact NE2-OG 2.9Å
621W73.9Confident89Confident206 Ų20659.4 Ų59.478%0.7835%0.352SS*.THydrogen-bonded Turntrans-62.9-28.5-177.566.6-86.5000113.6R597 L623R597-W621 PolarHBondContact NE-O 3.47Å; R597-W621 PolarHBondContact NH2-O 2.8Å; W621-L623 VanDerWaalsContact C-N 3.3Å
622D79.5Confident89.1Confident84 Ų8457.9 Ų57.945%0.44935%0.345SS..THydrogen-bonded Turntrans-85.34.1177.368.2-13.2000113.8Q620 S624Q620-D622 VanDerWaalsContact CB-OD1 3.29Å; Q620-D622 WeakPolarHBondContact CB-OD1 3.39Å; Q620-D622 PolarHBondContact O-N 3.32Å; D622-S624 VanDerWaalsContact C-N 3.29Å; D622-S624 VanDerWaalsContact CG-OG 3.24Å; D622-S624 VanDerWaalsContact OD1-CB 3.32Å; D622-S624 WeakPolarHBondContact OD1-CB 3.32Å; D622-S624 PolarHBondContact OD1-N 2.8Å; D622-S624 PolarHBondContact OD1-OG 2.88Å; D622-S624 PolarHBondContact OD2-OG 3.45Å; D622-S624 VanDerWaalsContact OD2-OG 3.12Å
623L78.6Confident88.9Confident37 Ų3758.8 Ų58.819%0.19435%0.347CS..SBendtrans67.122.2-174.5-47.6-179.2000114.6N574 D575 C577 P578 R597 Q620 W621N574-L623 WeakPolarHBondContact O-CD1 3.04Å; D575-L623 WeakPolarHBondContact O-CD2 3.41Å; C577-L623 PolarHBondContact SG-O 2.87Å; C577-L623 VanDerWaalsContact SG-O 3.39Å; P578-L623 VanDerWaalsContact CD-O 3.29Å; P578-L623 WeakPolarHBondContact CD-O 3.26Å; R597-L623 HydrophobicContact CG-CD2 3.69Å; Q620-L623 PolarHBondContact O-N 2.83Å; Q620-L623 VanDerWaalsContact O-N 3.08Å; W621-L623 VanDerWaalsContact C-N 3.3Å
624S87Confident88.8Confident38 Ų3859.9 Ų59.927%0.26633%0.334SS..  trans-94.5162.5166.774.10000112.4C577 Q620 D622C577-S624 PolarHBondContact SG-O 2.04Å; C577-S624 VanDerWaalsContact SG-O 3.41Å; Q620-S624 WeakPolarHBondContact CB-O 3.3Å; Q620-S624 PolarHBondContact N-O 2.95Å; Q620-S624 PolarHBondContact NE2-OG 2.9Å; D622-S624 VanDerWaalsContact C-N 3.29Å; D622-S624 VanDerWaalsContact CG-OG 3.24Å; D622-S624 VanDerWaalsContact OD1-CB 3.32Å; D622-S624 WeakPolarHBondContact OD1-CB 3.32Å; D622-S624 PolarHBondContact OD1-N 2.8Å; D622-S624 PolarHBondContact OD1-OG 2.88Å; D622-S624 PolarHBondContact OD2-OG 3.45Å; D622-S624 VanDerWaalsContact OD2-OG 3.12Å
625W91.3Very high88.6Confident29 Ų2959 Ų5911%0.1133%0.325CS..BIsolated β-bridgetrans-87.4145.6167.3-68.8103.4000111C577 P578 L580 L595 L601 L617 T618 C619 A627C577-W625 HydrophobicContact CB-CD2 4.24Å; C577-W625 HydrophobicContact CB-CH2 4.33Å; C577-W625 HydrophobicContact CB-CZ2 3.6Å; P578-W625 PolarHBondContact O-NE1 2.9Å; L580-W625 HydrophobicContact CD1-CB 4.48Å; L580-W625 HydrophobicContact CD1-CD2 4.05Å; L580-W625 HydrophobicContact CD1-CG 3.79Å; L580-W625 HydrophobicContact CG-CG 4.48Å; L595-W625 HydrophobicContact CB-CZ2 4.35Å; L595-W625 HydrophobicContact CD1-CZ2 4.46Å; L595-W625 HydrophobicContact CD2-CH2 4.38Å; L595-W625 HydrophobicContact CD2-CZ2 4.46Å; L601-W625 HydrophobicContact CB-CZ3 4.4Å; L601-W625 HydrophobicContact CD1-CE3 4.35Å; L601-W625 HydrophobicContact CD1-CH2 3.48Å; L601-W625 VanDerWaalsContact CD1-CH2 3.48Å; L601-W625 HydrophobicContact CD1-CZ2 3.65Å; L601-W625 HydrophobicContact CD1-CZ3 3.83Å; L601-W625 HydrophobicContact CG-CH2 3.57Å; L601-W625 HydrophobicContact CG-CZ2 4.26Å; L601-W625 HydrophobicContact CG-CZ3 3.79Å; L617-W625 HydrophobicContact CB-CE3 3.99Å; L617-W625 HydrophobicContact CD2-CB 4.38Å; T618-W625 VanDerWaalsContact C-CE3 3.45Å; C619-W625 HydrophobicContact CB-CE3 4.22Å; C619-W625 HydrophobicContact CB-CH2 3.96Å; C619-W625 HydrophobicContact CB-CZ3 3.81Å; W625-A627 PolarHBondContact O-N 2.83Å; W625-A627 VanDerWaalsContact O-N 3.16Å
626S91.6Very high88.3Confident59 Ų5959.6 Ų59.641%0.41333%0.326SS..SBendtrans-62.1-19.2179.859.90000115.2T618T618-S626 PolarHBondContact N-OG 3.48Å; T618-S626 PolarHBondContact O-N 2.9Å
627A90.5Very high88Confident32 Ų3258.8 Ų58.826%0.26433%0.325SS..SBendtrans-152.1169.1177.100000110.7L617 W625L617-A627 HydrophobicContact CD1-CB 4.28Å; L617-A627 WeakPolarHBondContact CD2-O 3.35Å; L617-A627 HydrophobicContact CG-CB 4.2Å; W625-A627 PolarHBondContact O-N 2.83Å; W625-A627 VanDerWaalsContact O-N 3.16Å
628A90.1Very high87.8Confident77 Ų7759 Ų5964%0.63633%0.326SS*.PPolyproline II helixtrans-71.8152.3166.500000110.7
629P89.8Confident87.6Confident64 Ų6460.7 Ų60.742%0.41635%0.345SS..PPolyproline II helixtrans-61138.3176.925.1-34.1000111.4L580L580-P629 HydrophobicContact CD1-CB 4.4Å; L580-P629 HydrophobicContact CD2-CG 4.4Å
630P93.3Very high87.6Confident10 Ų1064.6 Ų64.67%0.06537%0.366CS..PPolyproline II helixtrans-76.316617934.3-38.7000112.5Y603 L611 L612 S614Y603-P630 HydrophobicContact CD1-CG 3.7Å; Y603-P630 HydrophobicContact CD2-CG 4.03Å; Y603-P630 HydrophobicContact CE1-CG 4.41Å; Y603-P630 HydrophobicContact CG-CG 3.49Å; Y603-P630 VanDerWaalsContact CG-CG 3.49Å; L611-P630 HydrophobicContact CD1-CB 3.72Å; L611-P630 HydrophobicContact CD1-CG 3.76Å; L611-P630 HydrophobicContact CD2-CB 4.19Å; L611-P630 HydrophobicContact CD2-CG 4.29Å; L611-P630 HydrophobicContact CG-CB 3.89Å; L611-P630 HydrophobicContact CG-CG 4.29Å; L612-P630 VanDerWaalsContact O-CA 3.27Å; L612-P630 WeakPolarHBondContact O-CA 3.34Å; L612-P630 VanDerWaalsContact O-CB 3.29Å; L612-P630 WeakPolarHBondContact O-CB 3.47Å; S614-P630 WeakPolarHBondContact O-CG 3.41Å
631A92.9Very high87.6Confident57 Ų5761.7 Ų61.747%0.47135%0.354SS..EExtended strand (participates in β ladder)trans-122.3149.5174.900000111.4L612L612-A631 PolarHBondContact N-O 3.01Å; L612-A631 PolarHBondContact O-N 3.15Å
632C93.6Very high88.2Confident20 Ų2053 Ų5314%0.13533%0.328CS..EExtended strand (participates in β ladder)trans-96.9117.8177.2-64.70000110.8E584 C605 Y609 E610E584-C632 WeakPolarHBondContact O-CB 3.26Å; C605-C632 VanDerWaalsContact CA-SG 3.51Å; C605-C632 HydrophobicContact CB-CB 3.81Å; C605-C632 WeakPolarHBondContact CB-SG 3.46Å; C605-C632 VanDerWaalsContact SG-CA 3.56Å; C605-C632 WeakPolarHBondContact SG-CB 3.22Å; C605-C632 CovalentContact SG-SG 2.04Å; C605-C632 PolarHBondContact SG-SG 3.33Å; Y609-C632 HydrophobicContact CD1-CB 4.33Å; Y609-C632 HydrophobicContact CG-CB 4.46Å; E610-C632 CarbonylContact O-C 3.59Å; E610-C632 WeakPolarHBondContact O-CA 3.46Å
633Q89.9Confident88.6Confident105 Ų10556.2 Ų56.249%0.49134%0.341SS..EExtended strand (participates in β ladder)trans-100.3136.7175.6-178.5166.32300110.9Y609 E610 L612 I635Y609-Q633 CarbonylContact C-O 3.52Å; Y609-Q633 WeakPolarHBondContact CA-O 3.47Å; E610-Q633 HydrophobicContact CG-CB 4.43Å; E610-Q633 PolarHBondContact N-O 2.89Å; E610-Q633 PolarHBondContact O-N 3.42Å; L612-Q633 HydrophobicContact CD1-CB 3.78Å; L612-Q633 HydrophobicContact CG-CB 4.14Å; Q633-I635 PolarHBondContact O-N 3.06Å
634K86.1Confident89.2Confident87 Ų8755.4 Ų55.438%0.37834%0.336SS..EExtended strand (participates in β ladder)trans-68.3128.5177.6-171.4165.5-177.4164.40110.9Y609 M636Y609-K634 HydrophobicContact CD1-CB 3.87Å; Y609-K634 HydrophobicContact CE1-CB 3.64Å; Y609-K634 HydrophobicContact CE1-CG 4.27Å; K634-M636 HydrophobicContact CD-SD 4.24Å; K634-M636 HydrophobicContact CG-SD 4.12Å; K634-M636 PolarHBondContact O-N 2.85Å
635I87.7Confident89.1Confident30 Ų3057.3 Ų57.315%0.15435%0.354CS..PPolyproline II helixtrans-73.3116.8178-60.6164.3000108.6G608 E610 Q633 T687 P688G608-I635 WeakPolarHBondContact O-CB 3.29Å; G608-I635 PolarHBondContact O-N 2.96Å; E610-I635 HydrophobicContact CB-CD1 4.04Å; E610-I635 HydrophobicContact CB-CG1 3.86Å; E610-I635 HydrophobicContact CG-CG1 3.91Å; Q633-I635 PolarHBondContact O-N 3.06Å; I635-T687 HydrophobicContact CB-CG2 4.39Å; I635-T687 HydrophobicContact CD1-CG2 3.67Å; I635-T687 HydrophobicContact CG2-CG2 4.34Å; I635-P688 VanDerWaalsContact O-CD 3.26Å; I635-P688 WeakPolarHBondContact O-CD 3.48Å; I635-P688 VanDerWaalsContact O-CG 3.22Å; I635-P688 WeakPolarHBondContact O-CG 3.14Å
636M85.1Confident88.9Confident104 Ų10459.4 Ų59.451%0.51237%0.367SS..  trans-113.212.8-176.5-64.7-61.7-67.600113.5K634 P657 V658K634-M636 HydrophobicContact CD-SD 4.24Å; K634-M636 HydrophobicContact CG-SD 4.12Å; K634-M636 PolarHBondContact O-N 2.85Å; M636-P657 WeakPolarHBondContact O-CA 3.1Å; M636-V658 PolarHBondContact O-N 2.82Å
637T88.8Confident88.7Confident63 Ų6357.6 Ų57.639%0.38736%0.358SS..BIsolated β-bridgetrans-122.3152.3179.6520000110.9G655 F656 P688T637-G655 WeakPolarHBondContact CG2-O 3.49Å; T637-F656 CarbonylContact C-O 3.58Å; T637-F656 WeakPolarHBondContact CA-O 3.22Å; T637-P688 WeakPolarHBondContact O-CG 3.03Å
638C88.3Confident88.7Confident5 Ų560.2 Ų60.23%0.03437%0.365CS..PPolyproline II helixtrans-89.5146.3167.1-70.50000110.3F656 C680 K689 W690C638-F656 PolarHBondContact N-O 3.5Å; C638-F656 WeakPolarHBondContact O-CB 3.36Å; C638-C680 HydrophobicContact CB-CB 3.87Å; C638-C680 WeakPolarHBondContact CB-SG 3.39Å; C638-C680 PolarHBondContact N-SG 3.44Å; C638-C680 WeakPolarHBondContact SG-CA 3.49Å; C638-C680 WeakPolarHBondContact SG-CB 3.45Å; C638-C680 CovalentContact SG-SG 2.03Å; C638-C680 PolarHBondContact SG-SG 3.18Å; C638-K689 VanDerWaalsContact SG-C 3.55Å; C638-W690 HydrophobicContact CB-CD2 4.18Å; C638-W690 VanDerWaalsContact CB-CE2 3.49Å; C638-W690 HydrophobicContact CB-CH2 4.4Å; C638-W690 HydrophobicContact CB-CZ2 3.62Å
639A87.1Confident88.7Confident86 Ų8659.9 Ų59.971%0.71135%0.347SS*.PPolyproline II helixtrans-61.1149.2170.100000111.4P641 W690A639-P641 WeakPolarHBondContact O-CD 3.35Å; A639-W690 PolarHBondContact O-NE1 3.24Å
640D89.2Confident88.7Confident85 Ų8560 Ų6046%0.45535%0.347SS..PPolyproline II helixtrans-56.6120-179.8-174.6-8.4000110.8G642 R649 F656D640-G642 PolarHBondContact O-N 2.87Å; D640-G642 PolarHBondContact OD1-N 3.29Å; D640-R649 IonicContact OD1-CZ 3.05Å; D640-R649 IonicContact OD1-NH1 3.42Å; D640-R649 PolarHBondContact OD1-NH1 2.91Å; D640-R649 IonicContact OD1-NH2 3.84Å; D640-R649 IonicContact OD2-CZ 2.62Å; D640-R649 IonicContact OD2-NH1 3.44Å; D640-R649 PolarHBondContact OD2-NH1 3.34Å; D640-R649 IonicContact OD2-NH2 3.84Å; D640-R649 PolarHBondContact OD2-NH2 2.9Å; D640-R649 VanDerWaalsContact OD2-NH2 3.1Å; D640-F656 HydrophobicContact CB-CD2 4.37Å; D640-F656 HydrophobicContact CB-CE2 3.7Å; D640-F656 HydrophobicContact CB-CZ 4.36Å
641P86.4Confident88.5Confident18 Ų1861.9 Ų61.912%0.11736%0.363CS..  trans-72.3-4.4177.530.8-34.8000113.7A639 V662 L678 W690 V694A639-P641 WeakPolarHBondContact O-CD 3.35Å; P641-V662 HydrophobicContact CG-CB 4.4Å; P641-V662 HydrophobicContact CG-CG1 4.38Å; P641-V662 HydrophobicContact CG-CG2 4.09Å; P641-L678 HydrophobicContact CB-CD1 4.2Å; P641-W690 HydrophobicContact CG-CD2 4.41Å; P641-W690 HydrophobicContact CG-CZ2 3.88Å; P641-V694 HydrophobicContact CB-CG2 4.26Å; P641-V694 WeakPolarHBondContact O-CG2 3.37Å
642G86.6Confident88.4Confident23 Ų2361.4 Ų61.424%0.23736%0.357CS..  trans76.1-169.9173.200000114.9D640 R649 Y664D640-G642 PolarHBondContact O-N 2.87Å; D640-G642 PolarHBondContact OD1-N 3.29Å; G642-R649 WeakPolarHBondContact O-CD 3.2Å; G642-R649 PolarHBondContact O-NH1 2.03Å; G642-R649 VanDerWaalsContact O-NH1 3.12Å; G642-Y664 PolarHBondContact O-OH 2.95Å
643E87.8Confident88.1Confident152 Ų15264.2 Ų64.271%0.7137%0.37SS*.  trans-110.2155.9-176.1-72-177.1-173.800112.2R649E643-R649 VanDerWaalsContact CG-CD 3.48Å; E643-R649 HydrophobicContact CG-CG 4Å; E643-R649 IonicContact OE1-CZ 3.89Å; E643-R649 IonicContact OE1-NE 2.67Å; E643-R649 PolarHBondContact OE1-NE 2.98Å; E643-R649 IonicContact OE1-NH2 2.76Å; E643-R649 PolarHBondContact OE1-NH2 3.48Å
644I89.8Confident87.6Confident20 Ų2064.1 Ų64.110%0.10339%0.387CS..  trans-114.6135.9-176.665.9174.7000110.9G647 Y664 L672 V694 P695 C697I644-G647 PolarHBondContact O-N 3.12Å; I644-Y664 HydrophobicContact CB-CD1 4.48Å; I644-Y664 HydrophobicContact CD1-CD1 3.63Å; I644-Y664 HydrophobicContact CD1-CG 4.1Å; I644-Y664 HydrophobicContact CG1-CD1 3.85Å; I644-Y664 HydrophobicContact CG1-CE1 4.4Å; I644-Y664 HydrophobicContact CG2-CD1 3.85Å; I644-Y664 HydrophobicContact CG2-CE1 3.76Å; I644-L672 HydrophobicContact CD1-CD1 4.17Å; I644-V694 HydrophobicContact CG2-CG1 3.48Å; I644-V694 VanDerWaalsContact CG2-CG1 3.48Å; I644-P695 WeakPolarHBondContact CG2-O 3.22Å; I644-C697 VanDerWaalsContact CD1-SG 3.6Å
645A86.4Confident87.2Confident78 Ų7862.2 Ų62.265%0.64539%0.392SS*.THydrogen-bonded Turntrans-62.2140.1172.800000110.5G647A645-G647 PolarHBondContact O-N 3.39Å
646N86.9Confident87.3Confident72 Ų7261.9 Ų61.939%0.38539%0.39SS..THydrogen-bonded Turntrans58.529.2-179.6-49.5-47.3000114.8L667 Y670 C697N646-L667 WeakPolarHBondContact O-CG 3.41Å; N646-L667 PolarHBondContact O-N 2.97Å; N646-Y670 HydrophobicContact CB-CD1 3.68Å; N646-Y670 HydrophobicContact CB-CD2 4.13Å; N646-Y670 HydrophobicContact CB-CE1 3.52Å; N646-Y670 HydrophobicContact CB-CE2 4.01Å; N646-Y670 HydrophobicContact CB-CG 4Å; N646-Y670 VanDerWaalsContact CG-CE1 3.48Å; N646-Y670 VanDerWaalsContact ND2-CE1 3.27Å; N646-Y670 WeakPolarHBondContact ND2-CE1 3.42Å; N646-C697 HydrophobicContact CB-CB 4.21Å
647G87.4Confident87.5Confident21 Ų2159.5 Ų59.522%0.21638%0.382CS..EExtended strand (participates in β ladder)trans-149.7-175.4171.200000112.5I644 A645 R665I644-G647 PolarHBondContact O-N 3.12Å; A645-G647 PolarHBondContact O-N 3.39Å; G647-R665 CarbonylContact C-O 3.34Å; G647-R665 WeakPolarHBondContact CA-O 3.42Å
648H89.1Confident87.5Confident88 Ų8859 Ų5941%0.40738%0.379SS..EExtended strand (participates in β ladder)trans-130157.1169.765.4-84.5000110.9R665H648-R665 PolarHBondContact N-O 2.72Å; H648-R665 PolarHBondContact ND1-O 3.46Å; H648-R665 PolarHBondContact O-N 2.88Å
649R90.5Very high87.4Confident69 Ų6961.1 Ų61.126%0.2640%0.401SS..EExtended strand (participates in β ladder)trans-112149.2174.268.3175.8177.9167.11.1111.4D640 G642 E643 V662 Q663 Y664D640-R649 IonicContact OD1-CZ 3.05Å; D640-R649 IonicContact OD1-NH1 3.42Å; D640-R649 PolarHBondContact OD1-NH1 2.91Å; D640-R649 IonicContact OD1-NH2 3.84Å; D640-R649 IonicContact OD2-CZ 2.62Å; D640-R649 IonicContact OD2-NH1 3.44Å; D640-R649 PolarHBondContact OD2-NH1 3.34Å; D640-R649 IonicContact OD2-NH2 3.84Å; D640-R649 PolarHBondContact OD2-NH2 2.9Å; D640-R649 VanDerWaalsContact OD2-NH2 3.1Å; G642-R649 WeakPolarHBondContact O-CD 3.2Å; G642-R649 PolarHBondContact O-NH1 2.03Å; G642-R649 VanDerWaalsContact O-NH1 3.12Å; E643-R649 VanDerWaalsContact CG-CD 3.48Å; E643-R649 HydrophobicContact CG-CG 4Å; E643-R649 IonicContact OE1-CZ 3.89Å; E643-R649 IonicContact OE1-NE 2.67Å; E643-R649 PolarHBondContact OE1-NE 2.98Å; E643-R649 IonicContact OE1-NH2 2.76Å; E643-R649 PolarHBondContact OE1-NH2 3.48Å; R649-V662 HydrophobicContact CB-CG1 4.37Å; R649-Q663 CarbonylContact C-O 3.57Å; R649-Q663 WeakPolarHBondContact CA-O 3.5Å; R649-Y664 HydrophobicContact CB-CD1 3.87Å; R649-Y664 HydrophobicContact CB-CE1 3.65Å
650T91Very high87.5Confident66 Ų6657.1 Ų57.141%0.40537%0.368SS..EExtended strand (participates in β ladder)trans-137.7116.5169460000108.6Q663T650-Q663 PolarHBondContact N-O 2.9Å; T650-Q663 PolarHBondContact O-N 3.1Å; T650-Q663 PolarHBondContact OG1-O 3.32Å
651A89.1Confident87.6Confident50 Ų5057.4 Ų57.441%0.41337%0.367SS..EExtended strand (participates in β ladder)trans-97.2150.9177.300000111.1F656 V662A651-F656 HydrophobicContact CB-CE1 3.88Å; A651-V662 HydrophobicContact CB-CG2 3.96Å
652S89.3Confident87.9Confident48 Ų4856.5 Ų56.534%0.33636%0.361SS..SBendtrans-69.1-42.1170.961.40000112.2S660 H661S652-S660 WeakPolarHBondContact OG-CA 3.35Å; S652-H661 PolarHBondContact N-O 3.03Å; S652-H661 PolarHBondContact OG-N 3.48Å; S652-H661 PolarHBondContact OG-O 3Å
653D86.8Confident88.1Confident79 Ų7958.4 Ų58.442%0.42236%0.364SS..  trans-139.8136.8-170.1-55.5-89.7000110.4G655 S660D653-G655 VanDerWaalsContact C-N 3.29Å; D653-G655 PolarHBondContact O-N 3.39Å; D653-S660 PolarHBondContact OD2-OG 3.11Å
654A79.6Confident88.4Confident102 Ų10251.4 Ų51.484%0.84333%0.331SS*.THydrogen-bonded Turntrans-72.8-17-175.400000114.7
655G79Confident88.4Confident47 Ų4756.7 Ų56.749%0.48535%0.35SS..THydrogen-bonded Turntrans-102.92-179.600000115T637 D653 P657T637-G655 WeakPolarHBondContact CG2-O 3.49Å; D653-G655 VanDerWaalsContact C-N 3.29Å; D653-G655 PolarHBondContact O-N 3.39Å; G655-P657 WeakPolarHBondContact O-CD 3.42Å
656F89.8Confident88.5Confident23 Ų2354.4 Ų54.410%0.10133%0.328CS..  trans45.443.6-179.9-46.3-67.6000117.2T637 C638 D640 A651 V662 W690T637-F656 CarbonylContact C-O 3.58Å; T637-F656 WeakPolarHBondContact CA-O 3.22Å; C638-F656 PolarHBondContact N-O 3.5Å; C638-F656 WeakPolarHBondContact O-CB 3.36Å; D640-F656 HydrophobicContact CB-CD2 4.37Å; D640-F656 HydrophobicContact CB-CE2 3.7Å; D640-F656 HydrophobicContact CB-CZ 4.36Å; A651-F656 HydrophobicContact CB-CE1 3.88Å; F656-V662 HydrophobicContact CD1-CG2 4.01Å; F656-V662 HydrophobicContact CE1-CG2 3.77Å; F656-W690 HydrophobicContact CB-CH2 4.09Å; F656-W690 HydrophobicContact CB-CZ2 3.86Å; F656-W690 AromaticContact CD1-CH2 3.79Å; F656-W690 HydrophobicContact CD1-CH2 3.79Å; F656-W690 AromaticContact CD1-CZ2 3.81Å; F656-W690 HydrophobicContact CD1-CZ2 3.81Å; F656-W690 HydrophobicContact CG-CH2 4.24Å; F656-W690 AromaticContact CG-CZ2 3.93Å; F656-W690 HydrophobicContact CG-CZ2 3.93Å
657P89Confident88.5Confident55 Ų5554.9 Ų54.936%0.35733%0.33SS..BIsolated β-bridgetrans-59158.817126.6-35.7000112.6M636 G655 G659 S660M636-P657 WeakPolarHBondContact O-CA 3.1Å; G655-P657 WeakPolarHBondContact O-CD 3.42Å; P657-G659 PolarHBondContact O-N 3.26Å; P657-S660 WeakPolarHBondContact CD-OG 3.05Å; P657-S660 WeakPolarHBondContact CG-OG 3.17Å; P657-S660 WeakPolarHBondContact O-CB 3.45Å; P657-S660 PolarHBondContact O-N 3.34Å; P657-S660 PolarHBondContact O-OG 3.11Å
658V87.8Confident88.3Confident52 Ų5260 Ų6032%0.31536%0.36SS..THydrogen-bonded Turntrans-49.4128.8171.6170.40000110.8M636 P688M636-V658 PolarHBondContact O-N 2.82Å; V658-P688 HydrophobicContact CG2-CB 3.9Å; V658-P688 HydrophobicContact CG2-CG 4Å
659G86Confident87.5Confident49 Ų4958 Ų5851%0.50536%0.363SS..THydrogen-bonded Turntrans98.3-17.4-171.700000114.8P657 C680P657-G659 PolarHBondContact O-N 3.26Å; G659-C680 PolarHBondContact N-O 3.4Å
660S90.5Very high87.1Confident2 Ų258 Ų581%0.01436%0.363CS..  trans-64.8152.1175.1-56.30000111.9S652 D653 P657 T679 C680S652-S660 WeakPolarHBondContact OG-CA 3.35Å; D653-S660 PolarHBondContact OD2-OG 3.11Å; P657-S660 WeakPolarHBondContact CD-OG 3.05Å; P657-S660 WeakPolarHBondContact CG-OG 3.17Å; P657-S660 WeakPolarHBondContact O-CB 3.45Å; P657-S660 PolarHBondContact O-N 3.34Å; P657-S660 PolarHBondContact O-OG 3.11Å; S660-T679 WeakPolarHBondContact O-CA 3.18Å; S660-C680 PolarHBondContact O-N 2.83Å
661H91.4Very high86.6Confident91 Ų9157 Ų5742%0.42136%0.359SS..EExtended strand (participates in β ladder)trans-136.6139.2-178.356.9-86.4000112.7S652 M677 L678S652-H661 PolarHBondContact N-O 3.03Å; S652-H661 PolarHBondContact OG-N 3.48Å; S652-H661 PolarHBondContact OG-O 3Å; H661-M677 HydrophobicContact CB-CE 3.64Å; H661-M677 HydrophobicContact CB-SD 4.06Å; H661-L678 CarbonylContact C-O 3.54Å; H661-L678 WeakPolarHBondContact CA-O 3.41Å
662V91.8Very high86.5Confident0 Ų057.1 Ų57.10%035%0.353CS..EExtended strand (participates in β ladder)trans-121.1115-177.4-175.30000109.6P641 R649 A651 F656 Y664 M677 L678 W690P641-V662 HydrophobicContact CG-CB 4.4Å; P641-V662 HydrophobicContact CG-CG1 4.38Å; P641-V662 HydrophobicContact CG-CG2 4.09Å; R649-V662 HydrophobicContact CB-CG1 4.37Å; A651-V662 HydrophobicContact CB-CG2 3.96Å; F656-V662 HydrophobicContact CD1-CG2 4.01Å; F656-V662 HydrophobicContact CE1-CG2 3.77Å; V662-Y664 HydrophobicContact CB-CE2 4.34Å; V662-Y664 HydrophobicContact CG1-CD2 4.4Å; V662-Y664 HydrophobicContact CG1-CE2 3.73Å; V662-M677 WeakPolarHBondContact O-CE 3.38Å; V662-L678 PolarHBondContact N-O 2.81Å; V662-L678 PolarHBondContact O-N 2.62Å; V662-W690 HydrophobicContact CG2-CH2 3.62Å; V662-W690 HydrophobicContact CG2-CZ2 4.27Å; V662-W690 HydrophobicContact CG2-CZ3 3.95Å
663Q92.1Very high86.5Confident63 Ų6360.3 Ų60.329%0.29436%0.362SS..EExtended strand (participates in β ladder)trans-97.3135.1-179.7-175.5166.810200110.7R649 T650 R665 A676 M677R649-Q663 CarbonylContact C-O 3.57Å; R649-Q663 WeakPolarHBondContact CA-O 3.5Å; T650-Q663 PolarHBondContact N-O 2.9Å; T650-Q663 PolarHBondContact O-N 3.1Å; T650-Q663 PolarHBondContact OG1-O 3.32Å; Q663-R665 HydrophobicContact CG-CG 4.48Å; Q663-R665 VanDerWaalsContact OE1-CZ 3.24Å; Q663-A676 WeakPolarHBondContact CA-O 3.17Å; Q663-A676 WeakPolarHBondContact CG-O 3.44Å; Q663-M677 HydrophobicContact CB-CE 3.62Å; Q663-M677 VanDerWaalsContact N-CE 3.27Å
664Y92.6Very high86.4Confident4 Ų459.3 Ų59.32%0.01637%0.37CS..EExtended strand (participates in β ladder)trans-114.8138.3179.3-70.1-81.1000110.8G642 I644 R649 V662 A676 L678 P695G642-Y664 PolarHBondContact O-OH 2.95Å; I644-Y664 HydrophobicContact CB-CD1 4.48Å; I644-Y664 HydrophobicContact CD1-CD1 3.63Å; I644-Y664 HydrophobicContact CD1-CG 4.1Å; I644-Y664 HydrophobicContact CG1-CD1 3.85Å; I644-Y664 HydrophobicContact CG1-CE1 4.4Å; I644-Y664 HydrophobicContact CG2-CD1 3.85Å; I644-Y664 HydrophobicContact CG2-CE1 3.76Å; R649-Y664 HydrophobicContact CB-CD1 3.87Å; R649-Y664 HydrophobicContact CB-CE1 3.65Å; V662-Y664 HydrophobicContact CB-CE2 4.34Å; V662-Y664 HydrophobicContact CG1-CD2 4.4Å; V662-Y664 HydrophobicContact CG1-CE2 3.73Å; Y664-A676 PolarHBondContact N-O 3.44Å; Y664-L678 HydrophobicContact CD2-CG 4.48Å; Y664-L678 HydrophobicContact CE2-CD1 3.88Å; Y664-L678 HydrophobicContact CE2-CG 4.09Å; Y664-P695 HydrophobicContact CD2-CG 3.71Å; Y664-P695 HydrophobicContact CE2-CG 4.45Å; Y664-P695 HydrophobicContact CG-CG 3.74Å
665R90.6Very high86.9Confident132 Ų13255.7 Ų55.750%0.49834%0.341SS..EExtended strand (participates in β ladder)trans-140.7128.1179.5-61.9-179.7-173.6175.82.4110.2G647 H648 Q663G647-R665 CarbonylContact C-O 3.34Å; G647-R665 WeakPolarHBondContact CA-O 3.42Å; H648-R665 PolarHBondContact N-O 2.72Å; H648-R665 PolarHBondContact ND1-O 3.46Å; H648-R665 PolarHBondContact O-N 2.88Å; Q663-R665 HydrophobicContact CG-CG 4.48Å; Q663-R665 VanDerWaalsContact OE1-CZ 3.24Å
666C89Confident87.3Confident29 Ų2955.9 Ų55.920%0.19634%0.338CS..EExtended strand (participates in β ladder)trans-74.9158.7179.1-59.70000113.1L672 C697C666-L672 VanDerWaalsContact SG-CA 3.57Å; C666-L672 VanDerWaalsContact SG-CD1 3.5Å; C666-C697 WeakPolarHBondContact CA-SG 3.49Å; C666-C697 HydrophobicContact CB-CB 3.83Å; C666-C697 WeakPolarHBondContact CB-SG 2.84Å; C666-C697 WeakPolarHBondContact SG-CA 3.28Å; C666-C697 WeakPolarHBondContact SG-CB 3.19Å; C666-C697 CovalentContact SG-SG 2.04Å; C666-C697 PolarHBondContact SG-SG 2.87Å
667L86.7Confident87.4Confident83 Ų8357.7 Ų57.744%0.43535%0.347SS..PPolyproline II helixtrans-71.5157.5168.7-63.9178.3000110.9N646 G669 Y670N646-L667 WeakPolarHBondContact O-CG 3.41Å; N646-L667 PolarHBondContact O-N 2.97Å; L667-G669 PolarHBondContact O-N 3.4Å; L667-Y670 HydrophobicContact CB-CD2 4.4Å; L667-Y670 WeakPolarHBondContact O-CB 3.03Å; L667-Y670 PolarHBondContact O-N 2.84Å; L667-Y670 VanDerWaalsContact O-N 3.12Å
668P82.7Confident87.6Confident128 Ų12855.1 Ų55.183%0.83133%0.33SS*.THydrogen-bonded Turntrans-53.2137.4177.3-26.735.7000112.8
669G72.5Confident87.8Confident46 Ų4654 Ų5447%0.47432%0.324SS..THydrogen-bonded Turntrans92-15.4-174.400000114.7L667 K700L667-G669 PolarHBondContact O-N 3.4Å; G669-K700 PolarHBondContact O-N 3.28Å; G669-K700 VanDerWaalsContact O-N 3.11Å
670Y82Confident88.1Confident68 Ų6851.7 Ų51.727%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-107.7139.8178.3-63-104000111.4N646 L667 C697 A698 L699N646-Y670 HydrophobicContact CB-CD1 3.68Å; N646-Y670 HydrophobicContact CB-CD2 4.13Å; N646-Y670 HydrophobicContact CB-CE1 3.52Å; N646-Y670 HydrophobicContact CB-CE2 4.01Å; N646-Y670 HydrophobicContact CB-CG 4Å; N646-Y670 VanDerWaalsContact CG-CE1 3.48Å; N646-Y670 VanDerWaalsContact ND2-CE1 3.27Å; N646-Y670 WeakPolarHBondContact ND2-CE1 3.42Å; L667-Y670 HydrophobicContact CB-CD2 4.4Å; L667-Y670 WeakPolarHBondContact O-CB 3.03Å; L667-Y670 PolarHBondContact O-N 2.84Å; L667-Y670 VanDerWaalsContact O-N 3.12Å; Y670-C697 HydrophobicContact CD1-CB 4.31Å; Y670-C697 WeakPolarHBondContact CD1-O 3.48Å; Y670-C697 HydrophobicContact CG-CB 4.49Å; Y670-A698 CarbonylContact C-O 3.57Å; Y670-A698 WeakPolarHBondContact CA-O 3.36Å; Y670-L699 HydrophobicContact CD1-CG 3.93Å; Y670-L699 HydrophobicContact CE1-CB 4.47Å; Y670-L699 HydrophobicContact CE1-CD1 3.81Å; Y670-L699 HydrophobicContact CE1-CD2 4.41Å; Y670-L699 HydrophobicContact CE1-CG 3.53Å; Y670-L699 HydrophobicContact CE2-CD2 4.45Å; Y670-L699 HydrophobicContact CE2-CG 4.4Å
671S81.4Confident88Confident45 Ų4558.1 Ų58.132%0.31533%0.325SS..EExtended strand (participates in β ladder)trans-102.4144.8169.543.20000111.1A698S671-A698 PolarHBondContact N-O 2.83Å; S671-A698 PolarHBondContact O-N 3.36Å
672L86.9Confident87.6Confident54 Ų5457.5 Ų57.528%0.28333%0.331SS..EExtended strand (participates in β ladder)trans-80.3129.3177-165.786000110.8I644 C666 A676 P695 K696I644-L672 HydrophobicContact CD1-CD1 4.17Å; C666-L672 VanDerWaalsContact SG-CA 3.57Å; C666-L672 VanDerWaalsContact SG-CD1 3.5Å; L672-A676 HydrophobicContact CD2-CB 3.58Å; L672-P695 HydrophobicContact CD1-CB 3.82Å; L672-P695 HydrophobicContact CD1-CG 3.97Å; L672-P695 HydrophobicContact CD2-CB 4.12Å; L672-P695 HydrophobicContact CD2-CG 4.42Å; L672-P695 HydrophobicContact CG-CB 3.97Å; L672-K696 CarbonylContact C-O 3.45Å; L672-K696 WeakPolarHBondContact CA-O 3.42Å
673E87.6Confident87.1Confident114 Ų11463.5 Ų63.553%0.53335%0.353SS..EExtended strand (participates in β ladder)trans-108.7116.5170.8-62.9-178160.800109P695 K696 A698E673-P695 CarbonylContact O-C 3.57Å; E673-P695 WeakPolarHBondContact O-CA 3.19Å; E673-P695 WeakPolarHBondContact O-CB 3.5Å; E673-K696 PolarHBondContact N-O 2.88Å; E673-K696 PolarHBondContact O-N 2.77Å; E673-A698 VanDerWaalsContact CD-CB 3.47Å; E673-A698 HydrophobicContact CG-CB 4.05Å; E673-A698 WeakPolarHBondContact OE1-CB 3.47Å
674G86.3Confident86Confident58 Ų5868 Ų6860%0.59838%0.38SS*.SBendtrans106.9-172.3-174.800000113.6A676G674-A676 PolarHBondContact O-N 2.92Å
675A89.6Confident84.8Confident26 Ų2673.2 Ų73.222%0.21541%0.412CS..  trans-68.7123.8-177.200000112.6M677 L678 D692 P695A675-M677 PolarHBondContact O-N 3.12Å; A675-L678 HydrophobicContact CB-CD2 4.06Å; A675-D692 HydrophobicContact CB-CB 4.01Å; A675-P695 WeakPolarHBondContact O-CG 3.48Å
676A88.1Confident84Confident51 Ų5167.8 Ų67.842%0.42140%0.398SS..SBendtrans-69.4-12.4174.200000114.1Q663 Y664 L672 G674Q663-A676 WeakPolarHBondContact CA-O 3.17Å; Q663-A676 WeakPolarHBondContact CG-O 3.44Å; Y664-A676 PolarHBondContact N-O 3.44Å; L672-A676 HydrophobicContact CD2-CB 3.58Å; G674-A676 PolarHBondContact O-N 2.92Å
677M91.9Very high83.7Confident61 Ų6170 Ų7030%0.341%0.41SS..EExtended strand (participates in β ladder)trans-141.1113.1-173.6177.988.7-74.200108.9H661 V662 Q663 A675H661-M677 HydrophobicContact CB-CE 3.64Å; H661-M677 HydrophobicContact CB-SD 4.06Å; V662-M677 WeakPolarHBondContact O-CE 3.38Å; Q663-M677 HydrophobicContact CB-CE 3.62Å; Q663-M677 VanDerWaalsContact N-CE 3.27Å; A675-M677 PolarHBondContact O-N 3.12Å
678L91.8Very high83.7Confident1 Ų166.7 Ų66.71%0.00539%0.393CS..EExtended strand (participates in β ladder)trans-96.5137.1169.8-56.8-172000109.6P641 H661 V662 Y664 A675 W690 S691 D692P641-L678 HydrophobicContact CB-CD1 4.2Å; H661-L678 CarbonylContact C-O 3.54Å; H661-L678 WeakPolarHBondContact CA-O 3.41Å; V662-L678 PolarHBondContact N-O 2.81Å; V662-L678 PolarHBondContact O-N 2.62Å; Y664-L678 HydrophobicContact CD2-CG 4.48Å; Y664-L678 HydrophobicContact CE2-CD1 3.88Å; Y664-L678 HydrophobicContact CE2-CG 4.09Å; A675-L678 HydrophobicContact CB-CD2 4.06Å; L678-W690 HydrophobicContact CB-CD2 4.37Å; L678-W690 HydrophobicContact CB-CE3 3.77Å; L678-W690 HydrophobicContact CB-CZ3 4.45Å; L678-S691 WeakPolarHBondContact CA-OG 3.02Å; L678-D692 HydrophobicContact CD2-CB 3.81Å
679T91.6Very high84Confident30 Ų3066.6 Ų66.618%0.18438%0.38CS..EExtended strand (participates in β ladder)trans-120.2136175.8-52.60000109.9S660 Y681 W690 S691S660-T679 WeakPolarHBondContact O-CA 3.18Å; T679-Y681 HydrophobicContact CG2-CD1 4.4Å; T679-Y681 HydrophobicContact CG2-CE1 3.87Å; T679-Y681 HydrophobicContact CG2-CE2 4.4Å; T679-W690 VanDerWaalsContact C-CE3 3.41Å; T679-W690 CarbonylContact O-C 3.58Å; T679-W690 WeakPolarHBondContact O-CA 3.33Å; T679-S691 PolarHBondContact N-OG 3.41Å; T679-S691 PolarHBondContact O-N 3.25Å
680C92.4Very high84.9Confident0 Ų065.8 Ų65.80%036%0.363CS..EExtended strand (participates in β ladder)trans-82.1115177.3179.70000110C638 G659 S660 W690C638-C680 HydrophobicContact CB-CB 3.87Å; C638-C680 WeakPolarHBondContact CB-SG 3.39Å; C638-C680 PolarHBondContact N-SG 3.44Å; C638-C680 WeakPolarHBondContact SG-CA 3.49Å; C638-C680 WeakPolarHBondContact SG-CB 3.45Å; C638-C680 CovalentContact SG-SG 2.03Å; C638-C680 PolarHBondContact SG-SG 3.18Å; G659-C680 PolarHBondContact N-O 3.4Å; S660-C680 PolarHBondContact O-N 2.83Å; C680-W690 HydrophobicContact CB-CE3 4.01Å; C680-W690 HydrophobicContact CB-CH2 3.87Å; C680-W690 HydrophobicContact CB-CZ2 4.41Å; C680-W690 HydrophobicContact CB-CZ3 3.68Å; C680-W690 VanDerWaalsContact N-CZ3 3.33Å
681Y88.9Confident85.3Confident136 Ų13665.3 Ų65.353%0.53337%0.369SS..EExtended strand (participates in β ladder)trans-107139.4177.4-67.2-59.9000111.6T679 P688 K689T679-Y681 HydrophobicContact CG2-CD1 4.4Å; T679-Y681 HydrophobicContact CG2-CE1 3.87Å; T679-Y681 HydrophobicContact CG2-CE2 4.4Å; Y681-P688 WeakPolarHBondContact O-CA 3.49Å; Y681-K689 PolarHBondContact N-O 3.49Å; Y681-K689 PolarHBondContact O-N 3.25Å
682S83.8Confident85.7Confident79 Ų7967.2 Ų67.255%0.55238%0.376SS*.  trans-63.5153165.347.10000110.7
683R79.9Confident85.7Confident125 Ų12575.1 Ų75.147%0.47240%0.402SS..  trans-129.3148.1171.7-170.9-176-83.6-165.3-10.6108.9T685R683-T685 VanDerWaalsContact C-N 3.34Å; R683-T685 WeakPolarHBondContact CD-O 3.34Å; R683-T685 VanDerWaalsContact CG-O 3.28Å; R683-T685 WeakPolarHBondContact CG-O 3.34Å
684D69.9Low85.9Confident158 Ų15872.8 Ų72.885%0.84540%0.395SS*.SBendtrans-70.9-32.3-179.9-52.4-63.9000112.1
685T66.8Low86.1Confident113 Ų11370.2 Ų70.269%0.69337%0.368SS*.SBendtrans-128.1127.2178.6520000111.9R683R683-T685 VanDerWaalsContact C-N 3.34Å; R683-T685 WeakPolarHBondContact CD-O 3.34Å; R683-T685 VanDerWaalsContact CG-O 3.28Å; R683-T685 WeakPolarHBondContact CG-O 3.34Å
686G73.3Confident86.1Confident19 Ų1976.1 Ų76.120%0.19639%0.389CS..SBendtrans83.2-171.4-174.900000114.3P607P607-G686 WeakPolarHBondContact O-CA 3.44Å; P607-G686 PolarHBondContact O-N 3.28Å; P607-G686 VanDerWaalsContact O-N 3.12Å
687T83Confident86.1Confident74 Ų7474.5 Ų74.545%0.45437%0.374SS..SBendtrans-75.9154.5-17544.10000113.8I635I635-T687 HydrophobicContact CB-CG2 4.39Å; I635-T687 HydrophobicContact CD1-CG2 3.67Å; I635-T687 HydrophobicContact CG2-CG2 4.34Å
688P87Confident85.6Confident14 Ų1472.8 Ų72.89%0.09137%0.37CS..  trans-55.1146.3167.9-24.535.3000112.1I635 T637 V658 Y681I635-P688 VanDerWaalsContact O-CD 3.26Å; I635-P688 WeakPolarHBondContact O-CD 3.48Å; I635-P688 VanDerWaalsContact O-CG 3.22Å; I635-P688 WeakPolarHBondContact O-CG 3.14Å; T637-P688 WeakPolarHBondContact O-CG 3.03Å; V658-P688 HydrophobicContact CG2-CB 3.9Å; V658-P688 HydrophobicContact CG2-CG 4Å; Y681-P688 WeakPolarHBondContact O-CA 3.49Å
689K89.5Confident84.7Confident127 Ų12775.8 Ų75.855%0.55239%0.386SS*.EExtended strand (participates in β ladder)trans-136.9143.6-175.1-163-169.5170.4-171.60112.2C638 Y681C638-K689 VanDerWaalsContact SG-C 3.55Å; Y681-K689 PolarHBondContact N-O 3.49Å; Y681-K689 PolarHBondContact O-N 3.25Å
690W91.4Very high83.3Confident29 Ų2981.2 Ų81.211%0.1141%0.407CS..EExtended strand (participates in β ladder)trans-59.9144.2166.3-63.2108.8000112.5C638 A639 P641 F656 V662 L678 T679 C680 D692C638-W690 HydrophobicContact CB-CD2 4.18Å; C638-W690 VanDerWaalsContact CB-CE2 3.49Å; C638-W690 HydrophobicContact CB-CH2 4.4Å; C638-W690 HydrophobicContact CB-CZ2 3.62Å; A639-W690 PolarHBondContact O-NE1 3.24Å; P641-W690 HydrophobicContact CG-CD2 4.41Å; P641-W690 HydrophobicContact CG-CZ2 3.88Å; F656-W690 HydrophobicContact CB-CH2 4.09Å; F656-W690 HydrophobicContact CB-CZ2 3.86Å; F656-W690 AromaticContact CD1-CH2 3.79Å; F656-W690 HydrophobicContact CD1-CH2 3.79Å; F656-W690 AromaticContact CD1-CZ2 3.81Å; F656-W690 HydrophobicContact CD1-CZ2 3.81Å; F656-W690 HydrophobicContact CG-CH2 4.24Å; F656-W690 AromaticContact CG-CZ2 3.93Å; F656-W690 HydrophobicContact CG-CZ2 3.93Å; V662-W690 HydrophobicContact CG2-CH2 3.62Å; V662-W690 HydrophobicContact CG2-CZ2 4.27Å; V662-W690 HydrophobicContact CG2-CZ3 3.95Å; L678-W690 HydrophobicContact CB-CD2 4.37Å; L678-W690 HydrophobicContact CB-CE3 3.77Å; L678-W690 HydrophobicContact CB-CZ3 4.45Å; T679-W690 VanDerWaalsContact C-CE3 3.41Å; T679-W690 CarbonylContact O-C 3.58Å; T679-W690 WeakPolarHBondContact O-CA 3.33Å; C680-W690 HydrophobicContact CB-CE3 4.01Å; C680-W690 HydrophobicContact CB-CH2 3.87Å; C680-W690 HydrophobicContact CB-CZ2 4.41Å; C680-W690 HydrophobicContact CB-CZ3 3.68Å; C680-W690 VanDerWaalsContact N-CZ3 3.33Å; W690-D692 VanDerWaalsContact C-N 3.26Å; W690-D692 PolarHBondContact O-N 3.49Å
691S90.2Very high82.1Confident58 Ų5885.3 Ų85.341%0.40642%0.423SS..SBendtrans-57.2-31.4-179.258.50000115L678 T679L678-S691 WeakPolarHBondContact CA-OG 3.02Å; T679-S691 PolarHBondContact N-OG 3.41Å; T679-S691 PolarHBondContact O-N 3.25Å
692D89.1Confident81.2Confident84 Ų8484.7 Ų84.745%0.44943%0.425SS..SBendtrans-150.1177.6-180-159.3-5.5000109.8A675 L678 W690A675-D692 HydrophobicContact CB-CB 4.01Å; L678-D692 HydrophobicContact CD2-CB 3.81Å; W690-D692 VanDerWaalsContact C-N 3.26Å; W690-D692 PolarHBondContact O-N 3.49Å
693R88.6Confident80.7Confident220 Ų22083.2 Ų83.283%0.8341%0.414SS*.PPolyproline II helixtrans-75.8158172.6-56.1-174-172-1335.7110.9
694V89.9Confident80.8Confident65 Ų6577.5 Ų77.539%0.39439%0.393SS..PPolyproline II helixtrans-59.1126.2176.4-169.20000110.2P641 I644P641-V694 HydrophobicContact CB-CG2 4.26Å; P641-V694 WeakPolarHBondContact O-CG2 3.37Å; I644-V694 HydrophobicContact CG2-CG1 3.48Å; I644-V694 VanDerWaalsContact CG2-CG1 3.48Å
695P90.8Very high81.4Confident5 Ų575.7 Ų75.73%0.03238%0.382CS..PPolyproline II helixtrans-73.8168.9-177.633.1-38.8000112.2I644 Y664 L672 E673 A675I644-P695 WeakPolarHBondContact CG2-O 3.22Å; Y664-P695 HydrophobicContact CD2-CG 3.71Å; Y664-P695 HydrophobicContact CE2-CG 4.45Å; Y664-P695 HydrophobicContact CG-CG 3.74Å; L672-P695 HydrophobicContact CD1-CB 3.82Å; L672-P695 HydrophobicContact CD1-CG 3.97Å; L672-P695 HydrophobicContact CD2-CB 4.12Å; L672-P695 HydrophobicContact CD2-CG 4.42Å; L672-P695 HydrophobicContact CG-CB 3.97Å; E673-P695 CarbonylContact O-C 3.57Å; E673-P695 WeakPolarHBondContact O-CA 3.19Å; E673-P695 WeakPolarHBondContact O-CB 3.5Å; A675-P695 WeakPolarHBondContact O-CG 3.48Å
696K89.2Confident82.1Confident149 Ų14972 Ų7265%0.64836%0.358SS*.EExtended strand (participates in β ladder)trans-121151.7178.3-64.4179.9-178.4177.40111.2L672 E673L672-K696 CarbonylContact C-O 3.45Å; L672-K696 WeakPolarHBondContact CA-O 3.42Å; E673-K696 PolarHBondContact N-O 2.88Å; E673-K696 PolarHBondContact O-N 2.77Å
697C88.9Confident82.6Confident17 Ų1772.8 Ų72.812%0.11536%0.36CS..EExtended strand (participates in β ladder)trans-105105.5171.6-700000109.8I644 N646 C666 Y670I644-C697 VanDerWaalsContact CD1-SG 3.6Å; N646-C697 HydrophobicContact CB-CB 4.21Å; C666-C697 WeakPolarHBondContact CA-SG 3.49Å; C666-C697 HydrophobicContact CB-CB 3.83Å; C666-C697 WeakPolarHBondContact CB-SG 2.84Å; C666-C697 WeakPolarHBondContact SG-CA 3.28Å; C666-C697 WeakPolarHBondContact SG-CB 3.19Å; C666-C697 CovalentContact SG-SG 2.04Å; C666-C697 PolarHBondContact SG-SG 2.87Å; Y670-C697 HydrophobicContact CD1-CB 4.31Å; Y670-C697 WeakPolarHBondContact CD1-O 3.48Å; Y670-C697 HydrophobicContact CG-CB 4.49Å
698A81.5Confident82.5Confident26 Ų2670.7 Ų70.722%0.21535%0.353CS..EExtended strand (participates in β ladder)trans-97.3145.7178.400000111.1Y670 S671 E673 K700Y670-A698 CarbonylContact C-O 3.57Å; Y670-A698 WeakPolarHBondContact CA-O 3.36Å; S671-A698 PolarHBondContact N-O 2.83Å; S671-A698 PolarHBondContact O-N 3.36Å; E673-A698 VanDerWaalsContact CD-CB 3.47Å; E673-A698 HydrophobicContact CG-CB 4.05Å; E673-A698 WeakPolarHBondContact OE1-CB 3.47Å; A698-K700 PolarHBondContact O-N 3.45Å
699L72.6Confident82.3Confident63 Ų6373.6 Ų73.633%0.3337%0.371SS..EExtended strand (participates in β ladder)trans-69.1127.6175.9-99.4148.1000110.6Y670 Y701Y670-L699 HydrophobicContact CD1-CG 3.93Å; Y670-L699 HydrophobicContact CE1-CB 4.47Å; Y670-L699 HydrophobicContact CE1-CD1 3.81Å; Y670-L699 HydrophobicContact CE1-CD2 4.41Å; Y670-L699 HydrophobicContact CE1-CG 3.53Å; Y670-L699 HydrophobicContact CE2-CD2 4.45Å; Y670-L699 HydrophobicContact CE2-CG 4.4Å; L699-Y701 HydrophobicContact CB-CE1 4.08Å; L699-Y701 HydrophobicContact CB-CE2 3.88Å; L699-Y701 HydrophobicContact CD2-CE1 4.39Å; L699-Y701 PolarHBondContact O-N 3.19Å
700K63.4Low82.1Confident145 Ų14568.2 Ų68.263%0.6335%0.349SS*.  trans-90.991.5-179.6-170-179.9177.7-176.80110.9G669 A698G669-K700 PolarHBondContact O-N 3.28Å; G669-K700 VanDerWaalsContact O-N 3.11Å; A698-K700 PolarHBondContact O-N 3.45Å
701Y66.2Low81.6Confident86 Ų8674.8 Ų74.834%0.33738%0.381SS..PPolyproline II helixtrans-77.6149.4171.8-54-63.6000111.8L699 A724 P748L699-Y701 HydrophobicContact CB-CE1 4.08Å; L699-Y701 HydrophobicContact CB-CE2 3.88Å; L699-Y701 HydrophobicContact CD2-CE1 4.39Å; L699-Y701 PolarHBondContact O-N 3.19Å; Y701-A724 HydrophobicContact CD2-CB 4.06Å; Y701-A724 HydrophobicContact CG-CB 4.34Å; Y701-P748 HydrophobicContact CD1-CB 3.65Å; Y701-P748 HydrophobicContact CD2-CB 4.06Å; Y701-P748 HydrophobicContact CE1-CB 3.42Å; Y701-P748 VanDerWaalsContact CE1-CB 3.42Å; Y701-P748 HydrophobicContact CE2-CB 3.83Å; Y701-P748 HydrophobicContact CG-CB 3.97Å; Y701-P748 VanDerWaalsContact CZ-CB 3.5Å
702E69.8Low81.2Confident122 Ų12275.5 Ų75.557%0.5738%0.38SS*.PPolyproline II helixtrans-84.3136.4164.1-64.9-177.2149.200108.7S752E702-S752 WeakPolarHBondContact O-CB 3.41Å; E702-S752 PolarHBondContact O-OG 2.89Å
703P74.5Confident81Confident49 Ų4971.7 Ų71.732%0.31836%0.361SS..PPolyproline II helixtrans-76.3144.5-175.431.7-35.8000111.7L705 H721 Y722P703-L705 PolarHBondContact O-N 3Å; P703-H721 HydrophobicContact CB-CB 4.08Å; P703-H721 HydrophobicContact CG-CB 4.07Å; P703-Y722 CarbonylContact C-O 3.4Å; P703-Y722 VanDerWaalsContact CA-O 3.3Å; P703-Y722 WeakPolarHBondContact CA-O 3.37Å; P703-Y722 WeakPolarHBondContact CB-O 3.49Å
704C80.8Confident80.9Confident4 Ų466 Ų663%0.02734%0.34CS..EExtended strand (participates in β ladder)trans-64.5133.2176.4-60.90000110.8H721 Y722 C746 W754C704-H721 CarbonylContact O-C 3.6Å; C704-H721 WeakPolarHBondContact O-CA 3.02Å; C704-Y722 PolarHBondContact N-O 3.36Å; C704-Y722 PolarHBondContact O-N 3.13Å; C704-C746 HydrophobicContact CB-CB 3.76Å; C704-C746 WeakPolarHBondContact CB-SG 3.5Å; C704-C746 VanDerWaalsContact SG-CA 3.51Å; C704-C746 WeakPolarHBondContact SG-CB 3.42Å; C704-C746 CovalentContact SG-SG 2.03Å; C704-C746 PolarHBondContact SG-SG 3.11Å; C704-W754 HydrophobicContact CB-CD2 4.36Å; C704-W754 HydrophobicContact CB-CZ2 3.74Å
705L82.1Confident80.8Confident120 Ų12064 Ų6463%0.62833%0.326SS*.EExtended strand (participates in β ladder)trans-66.6150.9169.6-70.5166.7000110.5P703 W754P703-L705 PolarHBondContact O-N 3Å; L705-W754 PolarHBondContact O-NE1 3.23Å
706N82.8Confident80.4Confident35 Ų3567.1 Ų67.119%0.18735%0.345CS..PPolyproline II helixtrans-57.8123.8174.8-171.2-33.9000110.8G708 Q715 Y718 K719 H720 Y722N706-G708 VanDerWaalsContact C-N 3.26Å; N706-G708 PolarHBondContact O-N 2.94Å; N706-G708 PolarHBondContact OD1-N 3Å; N706-Q715 PolarHBondContact ND2-NE2 3.25Å; N706-Y718 WeakPolarHBondContact ND2-CD2 3.48Å; N706-Y718 WeakPolarHBondContact ND2-CE2 3.44Å; N706-K719 WeakPolarHBondContact CB-O 3.14Å; N706-K719 PolarHBondContact ND2-O 3.43Å; N706-H720 PolarHBondContact N-O 3.15Å; N706-Y722 HydrophobicContact CB-CE2 3.94Å
707P83.4Confident80Confident36 Ų3664.5 Ų64.523%0.23434%0.338CS..  trans-76.4-9.8-176.730.2-33.2000113.8L728 F730 I744 W754P707-L728 HydrophobicContact CG-CD2 3.87Å; P707-F730 HydrophobicContact CG-CZ 4.28Å; P707-I744 HydrophobicContact CB-CD1 4.28Å; P707-I744 HydrophobicContact CG-CD1 3.87Å; P707-W754 HydrophobicContact CG-CD2 4.37Å; P707-W754 HydrophobicContact CG-CZ2 4.2Å
708G80.5Confident79.8Confident30 Ų3070.9 Ų70.931%0.30936%0.361SS..  trans94.7158.8-179.500000114N706 Q715 F730N706-G708 VanDerWaalsContact C-N 3.26Å; N706-G708 PolarHBondContact O-N 2.94Å; N706-G708 PolarHBondContact OD1-N 3Å; G708-Q715 PolarHBondContact O-OE1 3.27Å; G708-F730 WeakPolarHBondContact O-CE1 3.21Å
709V83.5Confident79.7Confident76 Ų7673 Ų7346%0.46137%0.365SS..PPolyproline II helixtrans-89.4132.9176.2-176.20000108.9G713 Q715V709-G713 WeakPolarHBondContact CG1-O 3.49Å; V709-Q715 HydrophobicContact CG2-CG 3.98Å; V709-Q715 VanDerWaalsContact CG2-OE1 3.23Å
710P84.5Confident79.9Confident14 Ų1476 Ų769%0.09138%0.377CS..PPolyproline II helixtrans-72.5149176.630.1-35.3000112.7G713 F730 P759P710-G713 PolarHBondContact O-N 3.01Å; P710-G713 VanDerWaalsContact O-N 3.08Å; P710-F730 VanDerWaalsContact CD-CD1 3.48Å; P710-F730 HydrophobicContact CG-CD1 4.03Å; P710-P759 WeakPolarHBondContact CB-O 3.4Å
711E80.9Confident80.9Confident167 Ų16774.2 Ų74.278%0.7837%0.371SS*.THydrogen-bonded Turntrans-62135.1176.4-166.9172.6-163.500110.7G713 C761E711-G713 PolarHBondContact O-N 3.37Å; E711-C761 WeakPolarHBondContact O-CB 3.27Å
712N81.8Confident81.7Confident72 Ų7270.2 Ų70.239%0.38536%0.355SS..THydrogen-bonded Turntrans58.927.4-170.6-53.7-57.5000115.3Y733 F736 C761N712-Y733 VanDerWaalsContact O-CD2 3.27Å; N712-Y733 WeakPolarHBondContact O-CD2 3.44Å; N712-Y733 PolarHBondContact O-N 2.83Å; N712-F736 HydrophobicContact CB-CD1 4.02Å; N712-F736 HydrophobicContact CB-CD2 4.25Å; N712-F736 HydrophobicContact CB-CE1 3.86Å; N712-F736 HydrophobicContact CB-CE2 4.1Å; N712-F736 HydrophobicContact CB-CG 4.22Å; N712-F736 HydrophobicContact CB-CZ 3.9Å; N712-C761 HydrophobicContact CB-CB 4.38Å
713G84.4Confident82.1Confident5 Ų569.8 Ų69.85%0.05235%0.353CS..EExtended strand (participates in β ladder)trans-140.8-173.3169.500000114.3V709 P710 E711 F731 Y733V709-G713 WeakPolarHBondContact CG1-O 3.49Å; P710-G713 PolarHBondContact O-N 3.01Å; P710-G713 VanDerWaalsContact O-N 3.08Å; E711-G713 PolarHBondContact O-N 3.37Å; G713-F731 CarbonylContact C-O 3.48Å; G713-F731 WeakPolarHBondContact CA-O 3.49Å; G713-Y733 WeakPolarHBondContact O-CE2 3.35Å
714Y86.5Confident82.1Confident101 Ų10169 Ų6940%0.39635%0.351SS..EExtended strand (participates in β ladder)trans-144162.2174.867.9-83.5000111.5F730 F731 Y733Y714-F730 WeakPolarHBondContact O-CA 3.36Å; Y714-F731 HydrophobicContact CD1-CB 4.06Å; Y714-F731 HydrophobicContact CD2-CD2 4.4Å; Y714-F731 HydrophobicContact CE1-CB 3.53Å; Y714-F731 HydrophobicContact CE1-CG 4.4Å; Y714-F731 HydrophobicContact CE2-CB 4.11Å; Y714-F731 AromaticContact CE2-CD2 3.66Å; Y714-F731 HydrophobicContact CE2-CD2 3.66Å; Y714-F731 HydrophobicContact CE2-CG 4.28Å; Y714-F731 AromaticContact CZ-CD2 3.76Å; Y714-F731 AromaticContact CZ-CG 3.93Å; Y714-F731 PolarHBondContact N-O 2.83Å; Y714-F731 PolarHBondContact O-N 3.45Å; Y714-Y733 HydrophobicContact CD1-CD1 4.14Å; Y714-Y733 AromaticContact CD1-CE1 3.61Å; Y714-Y733 HydrophobicContact CD1-CE1 3.61Å; Y714-Y733 HydrophobicContact CE1-CD1 4.47Å; Y714-Y733 HydrophobicContact CE1-CE1 4.23Å; Y714-Y733 HydrophobicContact CG-CE1 4.47Å
715Q88Confident82.1Confident21 Ų2171.5 Ų71.510%0.09838%0.377CS..EExtended strand (participates in β ladder)trans-115.4148.7177.577.8-174.850.700111.2N706 G708 V709 L717 Y722 L728 R729 F730N706-Q715 PolarHBondContact ND2-NE2 3.25Å; G708-Q715 PolarHBondContact O-OE1 3.27Å; V709-Q715 HydrophobicContact CG2-CG 3.98Å; V709-Q715 VanDerWaalsContact CG2-OE1 3.23Å; Q715-L717 VanDerWaalsContact C-N 3.32Å; Q715-L717 PolarHBondContact NE2-O 2.98Å; Q715-L717 PolarHBondContact O-N 3.13Å; Q715-Y722 PolarHBondContact NE2-OH 3.48Å; Q715-L728 HydrophobicContact CB-CD1 4.02Å; Q715-L728 HydrophobicContact CB-CG 4.37Å; Q715-L728 HydrophobicContact CG-CD1 4.12Å; Q715-R729 CarbonylContact C-O 3.54Å; Q715-R729 WeakPolarHBondContact CA-O 3.19Å; Q715-F730 HydrophobicContact CB-CD1 3.58Å; Q715-F730 HydrophobicContact CB-CE1 3.56Å
716T83.7Confident82.2Confident72 Ų7268.5 Ų68.544%0.44236%0.36SS..SBendtrans-65.5-27.8-173.645.90000115.4R729 F731T716-R729 HydrophobicContact CG2-CB 3.83Å; T716-R729 HydrophobicContact CG2-CG 4.44Å; T716-R729 PolarHBondContact N-O 2.9Å; T716-R729 PolarHBondContact OG1-N 3.49Å; T716-R729 PolarHBondContact OG1-O 2.8Å; T716-F731 HydrophobicContact CG2-CD2 4.25Å; T716-F731 HydrophobicContact CG2-CE2 3.6Å
717L81.1Confident82.4Confident94 Ų9470.1 Ų70.149%0.49237%0.374SS..  trans-149.9132.6-173.9-157.377.7000110.3Q715 K719 Y722 L728Q715-L717 VanDerWaalsContact C-N 3.32Å; Q715-L717 PolarHBondContact NE2-O 2.98Å; Q715-L717 PolarHBondContact O-N 3.13Å; L717-K719 HydrophobicContact CD2-CG 4.49Å; L717-Y722 PolarHBondContact O-OH 3.18Å; L717-L728 HydrophobicContact CB-CD1 4.42Å; L717-L728 VanDerWaalsContact O-CD1 3.23Å; L717-L728 WeakPolarHBondContact O-CD1 3.3Å
718Y83.1Confident82.6Confident151 Ų15168.5 Ų68.559%0.59236%0.363SS*.  trans-106.6118.2176.4-171.5-87.2000111.3N706 H720N706-Y718 WeakPolarHBondContact ND2-CD2 3.48Å; N706-Y718 WeakPolarHBondContact ND2-CE2 3.44Å; Y718-H720 AromaticContact CE1-CE1 3.73Å; Y718-H720 PolarHBondContact OH-CE1 2.77Å
719K80.4Confident83Confident71 Ų7172.8 Ų72.831%0.30937%0.37SS..  trans-131.4159.6166.2-56.4-175.4-175.1-1790108.6N706 L717 H721 Y722 E726N706-K719 WeakPolarHBondContact CB-O 3.14Å; N706-K719 PolarHBondContact ND2-O 3.43Å; L717-K719 HydrophobicContact CD2-CG 4.49Å; K719-H721 VanDerWaalsContact CB-O 3.3Å; K719-H721 WeakPolarHBondContact CB-O 3.49Å; K719-H721 WeakPolarHBondContact CD-O 3.48Å; K719-Y722 HydrophobicContact CB-CD1 4.47Å; K719-Y722 HydrophobicContact CB-CD2 4.37Å; K719-Y722 HydrophobicContact CB-CE1 4.08Å; K719-Y722 HydrophobicContact CB-CE2 3.94Å; K719-Y722 HydrophobicContact CD-CD1 4.08Å; K719-Y722 HydrophobicContact CD-CE1 4.14Å; K719-Y722 HydrophobicContact CG-CD1 4.47Å; K719-Y722 HydrophobicContact CG-CE1 4.05Å; K719-Y722 PolarHBondContact N-OH 3.41Å; K719-Y722 WeakPolarHBondContact O-CE2 3.35Å; K719-E726 IonicContact NZ-OE1 2.59Å; K719-E726 PolarHBondContact NZ-OE1 3.42Å; K719-E726 IonicContact NZ-OE2 2.81Å; K719-E726 PolarHBondContact NZ-OE2 3.35Å
720H77.5Confident83.4Confident126 Ų12669.2 Ų69.258%0.58335%0.348SS*.SBendtrans-77.5-29.2169-65.4-64.8000112.6N706 Y718N706-H720 PolarHBondContact N-O 3.15Å; Y718-H720 AromaticContact CE1-CE1 3.73Å; Y718-H720 PolarHBondContact OH-CE1 2.77Å
721H82.7Confident83.6Confident106 Ų10672.2 Ų72.249%0.49136%0.36SS..EExtended strand (participates in β ladder)trans-137.7144.2-179.1-54.6-81.1000110P703 C704 K719P703-H721 HydrophobicContact CB-CB 4.08Å; P703-H721 HydrophobicContact CG-CB 4.07Å; C704-H721 CarbonylContact O-C 3.6Å; C704-H721 WeakPolarHBondContact O-CA 3.02Å; K719-H721 VanDerWaalsContact CB-O 3.3Å; K719-H721 WeakPolarHBondContact CB-O 3.49Å; K719-H721 WeakPolarHBondContact CD-O 3.48Å
722Y82.8Confident83.9Confident3 Ų365.6 Ų65.61%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-123.5139.4179.6-64.8-99.6000110.1P703 C704 N706 Q715 L717 K719 E726 L728 W754P703-Y722 CarbonylContact C-O 3.4Å; P703-Y722 VanDerWaalsContact CA-O 3.3Å; P703-Y722 WeakPolarHBondContact CA-O 3.37Å; P703-Y722 WeakPolarHBondContact CB-O 3.49Å; C704-Y722 PolarHBondContact N-O 3.36Å; C704-Y722 PolarHBondContact O-N 3.13Å; N706-Y722 HydrophobicContact CB-CE2 3.94Å; Q715-Y722 PolarHBondContact NE2-OH 3.48Å; L717-Y722 PolarHBondContact O-OH 3.18Å; K719-Y722 HydrophobicContact CB-CD1 4.47Å; K719-Y722 HydrophobicContact CB-CD2 4.37Å; K719-Y722 HydrophobicContact CB-CE1 4.08Å; K719-Y722 HydrophobicContact CB-CE2 3.94Å; K719-Y722 HydrophobicContact CD-CD1 4.08Å; K719-Y722 HydrophobicContact CD-CE1 4.14Å; K719-Y722 HydrophobicContact CG-CD1 4.47Å; K719-Y722 HydrophobicContact CG-CE1 4.05Å; K719-Y722 PolarHBondContact N-OH 3.41Å; K719-Y722 WeakPolarHBondContact O-CE2 3.35Å; Y722-E726 WeakPolarHBondContact CA-OE2 3.03Å; Y722-L728 HydrophobicContact CE1-CD1 4.29Å; Y722-W754 HydrophobicContact CD1-CH2 4.05Å; Y722-W754 AromaticContact CD2-CH2 3.92Å; Y722-W754 HydrophobicContact CD2-CH2 3.92Å; Y722-W754 AromaticContact CD2-CZ2 3.66Å; Y722-W754 HydrophobicContact CD2-CZ2 3.66Å; Y722-W754 HydrophobicContact CE2-CZ2 4.37Å; Y722-W754 AromaticContact CG-CH2 3.61Å; Y722-W754 HydrophobicContact CG-CH2 3.61Å; Y722-W754 AromaticContact CG-CZ2 3.81Å; Y722-W754 HydrophobicContact CG-CZ2 3.81Å
723Q79.9Confident84.1Confident112 Ų11268.2 Ų68.252%0.52334%0.337SS..  trans-79.4156.2-179.6-64.2-63.8-10.300111.7G725 E726 C746Q723-G725 PolarHBondContact O-N 3.3Å; Q723-E726 HydrophobicContact CB-CG 4.13Å; Q723-E726 PolarHBondContact N-OE2 2.86Å; Q723-E726 WeakPolarHBondContact O-CB 3.16Å; Q723-E726 WeakPolarHBondContact O-CG 3.39Å; Q723-E726 PolarHBondContact O-N 2.04Å; Q723-C746 WeakPolarHBondContact O-CB 3.41Å
724A74.7Confident83.9Confident34 Ų3477.4 Ų77.428%0.28138%0.379SS..THydrogen-bonded Turntrans-59.5127.9174.400000110.3Y701 C746 P748Y701-A724 HydrophobicContact CD2-CB 4.06Å; Y701-A724 HydrophobicContact CG-CB 4.34Å; A724-C746 WeakPolarHBondContact CA-O 3.43Å; A724-P748 HydrophobicContact CB-CB 3.84Å; A724-P748 HydrophobicContact CB-CG 4.46Å
725G79.3Confident83.3Confident55 Ų5575.1 Ų75.157%0.56739%0.386SS*.THydrogen-bonded Turntrans95.6-11.7-171.400000115.1Q723 C746Q723-G725 PolarHBondContact O-N 3.3Å; G725-C746 PolarHBondContact N-O 3.35Å
726E84.5Confident83Confident58 Ų5877.1 Ų77.127%0.27139%0.394SS..  trans-76.4132.5175.3-63.9-160.6111.300112K719 Y722 Q723 T745 C746K719-E726 IonicContact NZ-OE1 2.59Å; K719-E726 PolarHBondContact NZ-OE1 3.42Å; K719-E726 IonicContact NZ-OE2 2.81Å; K719-E726 PolarHBondContact NZ-OE2 3.35Å; Y722-E726 WeakPolarHBondContact CA-OE2 3.03Å; Q723-E726 HydrophobicContact CB-CG 4.13Å; Q723-E726 PolarHBondContact N-OE2 2.86Å; Q723-E726 WeakPolarHBondContact O-CB 3.16Å; Q723-E726 WeakPolarHBondContact O-CG 3.39Å; Q723-E726 PolarHBondContact O-N 2.04Å; E726-T745 WeakPolarHBondContact O-CA 3.3Å; E726-C746 PolarHBondContact O-N 3.46Å
727S87.4Confident82.9Confident69 Ų6979.8 Ų79.848%0.48340%0.402SS..EExtended strand (participates in β ladder)trans-104.2135.3175.4-60.10000111.8I744 T745S727-I744 CarbonylContact C-O 3.46Å; S727-I744 WeakPolarHBondContact CA-O 3.48Å; S727-T745 PolarHBondContact OG-OG1 3.47Å
728L87.7Confident83.1Confident1 Ų177.3 Ų77.31%0.00539%0.389CS..EExtended strand (participates in β ladder)trans-112.2132.8174.4-177.161.5000109.4P707 Q715 L717 Y722 F730 T743 I744 W754P707-L728 HydrophobicContact CG-CD2 3.87Å; Q715-L728 HydrophobicContact CB-CD1 4.02Å; Q715-L728 HydrophobicContact CB-CG 4.37Å; Q715-L728 HydrophobicContact CG-CD1 4.12Å; L717-L728 HydrophobicContact CB-CD1 4.42Å; L717-L728 VanDerWaalsContact O-CD1 3.23Å; L717-L728 WeakPolarHBondContact O-CD1 3.3Å; Y722-L728 HydrophobicContact CE1-CD1 4.29Å; L728-F730 HydrophobicContact CD2-CE1 4.2Å; L728-F730 HydrophobicContact CD2-CE2 4.33Å; L728-F730 HydrophobicContact CD2-CZ 3.68Å; L728-F730 HydrophobicContact CG-CE1 4.49Å; L728-F730 HydrophobicContact CG-CE2 4.29Å; L728-F730 HydrophobicContact CG-CZ 4.03Å; L728-T743 WeakPolarHBondContact O-CA 3.49Å; L728-I744 HydrophobicContact CB-CG1 4.46Å; L728-I744 PolarHBondContact N-O 3.3Å; L728-I744 PolarHBondContact O-N 3.12Å; L728-W754 HydrophobicContact CB-CH2 4.25Å; L728-W754 HydrophobicContact CB-CZ3 4.18Å
729R89.3Confident83.1Confident121 Ų12174.4 Ų74.446%0.45738%0.383SS..EExtended strand (participates in β ladder)trans-116.5141.7-176.9-171.1173.7-161.4142.79110.7Q715 T716 F731 V742 T743Q715-R729 CarbonylContact C-O 3.54Å; Q715-R729 WeakPolarHBondContact CA-O 3.19Å; T716-R729 HydrophobicContact CG2-CB 3.83Å; T716-R729 HydrophobicContact CG2-CG 4.44Å; T716-R729 PolarHBondContact N-O 2.9Å; T716-R729 PolarHBondContact OG1-N 3.49Å; T716-R729 PolarHBondContact OG1-O 2.8Å; R729-F731 HydrophobicContact CG-CE2 4.37Å; R729-F731 HydrophobicContact CG-CZ 4.26Å; R729-V742 WeakPolarHBondContact CA-O 3.39Å; R729-V742 HydrophobicContact CG-CG1 4.09Å; R729-V742 WeakPolarHBondContact CG-O 3.38Å; R729-T743 HydrophobicContact CB-CG2 4.32Å; R729-T743 WeakPolarHBondContact CG-OG1 3.23Å
730F90.1Very high83.2Confident0 Ų073.6 Ų73.60%039%0.394CS..EExtended strand (participates in β ladder)trans-116.8154.9-178.4-60.6-83.5000112P707 G708 P710 Y714 Q715 L728 L738 V742 I744 P758 P759P707-F730 HydrophobicContact CG-CZ 4.28Å; G708-F730 WeakPolarHBondContact O-CE1 3.21Å; P710-F730 VanDerWaalsContact CD-CD1 3.48Å; P710-F730 HydrophobicContact CG-CD1 4.03Å; Y714-F730 WeakPolarHBondContact O-CA 3.36Å; Q715-F730 HydrophobicContact CB-CD1 3.58Å; Q715-F730 HydrophobicContact CB-CE1 3.56Å; L728-F730 HydrophobicContact CD2-CE1 4.2Å; L728-F730 HydrophobicContact CD2-CE2 4.33Å; L728-F730 HydrophobicContact CD2-CZ 3.68Å; L728-F730 HydrophobicContact CG-CE1 4.49Å; L728-F730 HydrophobicContact CG-CE2 4.29Å; L728-F730 HydrophobicContact CG-CZ 4.03Å; F730-L738 HydrophobicContact CB-CD1 4.39Å; F730-V742 PolarHBondContact N-O 2.94Å; F730-I744 HydrophobicContact CE2-CD1 3.71Å; F730-I744 HydrophobicContact CE2-CG1 3.9Å; F730-I744 HydrophobicContact CZ-CD1 4.2Å; F730-P758 HydrophobicContact CE1-CB 4.5Å; F730-P758 HydrophobicContact CE2-CB 4.27Å; F730-P758 HydrophobicContact CZ-CB 3.99Å; F730-P759 HydrophobicContact CB-CG 3.68Å; F730-P759 HydrophobicContact CD2-CG 3.79Å; F730-P759 HydrophobicContact CG-CG 3.89Å
731F89.1Confident83.7Confident78 Ų7872.7 Ų72.734%0.34239%0.39SS..EExtended strand (participates in β ladder)trans-141146.7174.8-63.5-74.3000109.6G713 Y714 T716 R729G713-F731 CarbonylContact C-O 3.48Å; G713-F731 WeakPolarHBondContact CA-O 3.49Å; Y714-F731 HydrophobicContact CD1-CB 4.06Å; Y714-F731 HydrophobicContact CD2-CD2 4.4Å; Y714-F731 HydrophobicContact CE1-CB 3.53Å; Y714-F731 HydrophobicContact CE1-CG 4.4Å; Y714-F731 HydrophobicContact CE2-CB 4.11Å; Y714-F731 AromaticContact CE2-CD2 3.66Å; Y714-F731 HydrophobicContact CE2-CD2 3.66Å; Y714-F731 HydrophobicContact CE2-CG 4.28Å; Y714-F731 AromaticContact CZ-CD2 3.76Å; Y714-F731 AromaticContact CZ-CG 3.93Å; Y714-F731 PolarHBondContact N-O 2.83Å; Y714-F731 PolarHBondContact O-N 3.45Å; T716-F731 HydrophobicContact CG2-CD2 4.25Å; T716-F731 HydrophobicContact CG2-CE2 3.6Å; R729-F731 HydrophobicContact CG-CE2 4.37Å; R729-F731 HydrophobicContact CG-CZ 4.26Å
732C88.5Confident83.9Confident27 Ų2770.2 Ų70.218%0.18238%0.382CS..EExtended strand (participates in β ladder)trans-93.5157.8172.3-61.20000111F736 L738 C761C732-F736 HydrophobicContact CB-CB 3.99Å; C732-F736 WeakPolarHBondContact CB-O 3.32Å; C732-L738 VanDerWaalsContact SG-CB 3.59Å; C732-C761 WeakPolarHBondContact CA-SG 3.22Å; C732-C761 HydrophobicContact CB-CB 3.74Å; C732-C761 WeakPolarHBondContact CB-SG 3.46Å; C732-C761 WeakPolarHBondContact SG-CA 3.42Å; C732-C761 WeakPolarHBondContact SG-CB 3.05Å; C732-C761 CovalentContact SG-SG 2.03Å; C732-C761 PolarHBondContact SG-SG 2.98Å
733Y84.8Confident84.1Confident127 Ų12772.1 Ų72.150%0.49839%0.394SS..PPolyproline II helixtrans-75.8163.4168.7-61.9-57.6000111.5N712 G713 Y714 F736N712-Y733 VanDerWaalsContact O-CD2 3.27Å; N712-Y733 WeakPolarHBondContact O-CD2 3.44Å; N712-Y733 PolarHBondContact O-N 2.83Å; G713-Y733 WeakPolarHBondContact O-CE2 3.35Å; Y714-Y733 HydrophobicContact CD1-CD1 4.14Å; Y714-Y733 AromaticContact CD1-CE1 3.61Å; Y714-Y733 HydrophobicContact CD1-CE1 3.61Å; Y714-Y733 HydrophobicContact CE1-CD1 4.47Å; Y714-Y733 HydrophobicContact CE1-CE1 4.23Å; Y714-Y733 HydrophobicContact CG-CE1 4.47Å; Y733-F736 PolarHBondContact O-N 2.82Å; Y733-F736 VanDerWaalsContact O-N 3.15Å
734E80.4Confident84.6Confident198 Ų19866.8 Ų66.893%0.92537%0.37SS*.THydrogen-bonded Turntrans-58136.3-174.8-166.8169.4-160.100112.2
735G74.8Confident85.2Confident53 Ų5366.9 Ų66.955%0.54637%0.367SS..THydrogen-bonded Turntrans89.2-6-172.800000115.5
736F81.7Confident85.6Confident64 Ų6464.3 Ų64.328%0.28134%0.34SS..EExtended strand (participates in β ladder)trans-115.9134.3176.9-61.7-103.3000112.2N712 C732 Y733 C761 K762 V763N712-F736 HydrophobicContact CB-CD1 4.02Å; N712-F736 HydrophobicContact CB-CD2 4.25Å; N712-F736 HydrophobicContact CB-CE1 3.86Å; N712-F736 HydrophobicContact CB-CE2 4.1Å; N712-F736 HydrophobicContact CB-CG 4.22Å; N712-F736 HydrophobicContact CB-CZ 3.9Å; C732-F736 HydrophobicContact CB-CB 3.99Å; C732-F736 WeakPolarHBondContact CB-O 3.32Å; Y733-F736 PolarHBondContact O-N 2.82Å; Y733-F736 VanDerWaalsContact O-N 3.15Å; F736-C761 HydrophobicContact CB-CB 4Å; F736-C761 HydrophobicContact CD1-CB 4.4Å; F736-C761 HydrophobicContact CG-CB 4.48Å; F736-K762 CarbonylContact C-O 3.35Å; F736-K762 VanDerWaalsContact CA-O 3.27Å; F736-K762 WeakPolarHBondContact CA-O 3.27Å; F736-V763 HydrophobicContact CD1-CG2 4.03Å; F736-V763 HydrophobicContact CE1-CG2 3.66Å; F736-V763 HydrophobicContact CZ-CG2 4.17Å
737E80.6Confident85.5Confident128 Ų12864.5 Ų64.560%0.59835%0.345SS*.EExtended strand (participates in β ladder)trans-94.1143.4173.6-170.8166.8-145.300110.9C761 K762 A764E737-C761 WeakPolarHBondContact O-CA 3.42Å; E737-K762 PolarHBondContact N-O 3.22Å; E737-K762 PolarHBondContact O-N 3.24Å; E737-A764 HydrophobicContact CB-CB 4.45Å
738L85.9Confident84.9Confident41 Ų4164.6 Ų64.622%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-90.3114.3-175.4-171.3159.1000110.5F730 C732 V742 P759F730-L738 HydrophobicContact CB-CD1 4.39Å; C732-L738 VanDerWaalsContact SG-CB 3.59Å; L738-V742 HydrophobicContact CD1-CG2 4.28Å; L738-V742 HydrophobicContact CD2-CG2 3.81Å; L738-P759 HydrophobicContact CD1-CB 4.5Å; L738-P759 HydrophobicContact CD1-CG 4.15Å; L738-P759 HydrophobicContact CD2-CB 3.43Å; L738-P759 VanDerWaalsContact CD2-CB 3.43Å; L738-P759 HydrophobicContact CD2-CG 3.9Å; L738-P759 HydrophobicContact CG-CB 3.88Å; L738-P759 HydrophobicContact CG-CG 4.06Å
739I82.3Confident83.9Confident91 Ų9165.6 Ų65.647%0.46735%0.354SS..EExtended strand (participates in β ladder)trans-107.1104.5179.3-53.9-179.4000109.5L760 K762I739-L760 PolarHBondContact N-O 2.8Å; I739-L760 PolarHBondContact O-N 3.31Å; I739-K762 HydrophobicContact CD1-CB 4.06Å; I739-K762 HydrophobicContact CD1-CD 3.8Å; I739-K762 HydrophobicContact CD1-CG 4Å
740G83.6Confident82.6Confident53 Ų5366 Ų6655%0.54636%0.361SS..SBendtrans140.1-166-179.700000111.3
741E87.3Confident81.6Confident108 Ų10869.7 Ų69.751%0.50539%0.385SS..  trans-75.3126173.7-88.9-64.4176.200111.2T743 I744 P759E741-T743 PolarHBondContact O-N 3.45Å; E741-I744 HydrophobicContact CB-CG2 3.98Å; E741-P759 WeakPolarHBondContact O-CG 3.41Å
742V86.4Confident81Confident53 Ų5366.5 Ų66.532%0.32137%0.372SS..SBendtrans-66.7-29.8179.1177.70000110.7R729 F730 L738R729-V742 WeakPolarHBondContact CA-O 3.39Å; R729-V742 HydrophobicContact CG-CG1 4.09Å; R729-V742 WeakPolarHBondContact CG-O 3.38Å; F730-V742 PolarHBondContact N-O 2.94Å; L738-V742 HydrophobicContact CD1-CG2 4.28Å; L738-V742 HydrophobicContact CD2-CG2 3.81Å
743T88.9Confident80.6Confident44 Ų4471.3 Ų71.327%0.2739%0.392SS..EExtended strand (participates in β ladder)trans-134.8126.8179.7-48.70000110.2L728 R729 E741L728-T743 WeakPolarHBondContact O-CA 3.49Å; R729-T743 HydrophobicContact CB-CG2 4.32Å; R729-T743 WeakPolarHBondContact CG-OG1 3.23Å; E741-T743 PolarHBondContact O-N 3.45Å
744I88.9Confident80.7Confident0 Ų067.5 Ų67.50%038%0.377CS..EExtended strand (participates in β ladder)trans-115.7147.5174.964.7179.8000110.1P707 S727 L728 F730 E741 W754P707-I744 HydrophobicContact CB-CD1 4.28Å; P707-I744 HydrophobicContact CG-CD1 3.87Å; S727-I744 CarbonylContact C-O 3.46Å; S727-I744 WeakPolarHBondContact CA-O 3.48Å; L728-I744 HydrophobicContact CB-CG1 4.46Å; L728-I744 PolarHBondContact N-O 3.3Å; L728-I744 PolarHBondContact O-N 3.12Å; F730-I744 HydrophobicContact CE2-CD1 3.71Å; F730-I744 HydrophobicContact CE2-CG1 3.9Å; F730-I744 HydrophobicContact CZ-CD1 4.2Å; E741-I744 HydrophobicContact CB-CG2 3.98Å; I744-W754 HydrophobicContact CB-CE3 4.3Å; I744-W754 HydrophobicContact CD1-CB 4.3Å; I744-W754 HydrophobicContact CD1-CD2 4.11Å; I744-W754 HydrophobicContact CD1-CE3 4.02Å; I744-W754 HydrophobicContact CD1-CG 4.24Å; I744-W754 HydrophobicContact CG1-CD2 4.33Å; I744-W754 HydrophobicContact CG1-CE3 3.72Å; I744-W754 HydrophobicContact CG1-CZ3 4.22Å
745T88.5Confident81.1Confident36 Ų3661.8 Ų61.822%0.22136%0.356CS..EExtended strand (participates in β ladder)trans-121.9138.3-174.4-55.30000110.3E726 S727 V747 W754 T755E726-T745 WeakPolarHBondContact O-CA 3.3Å; S727-T745 PolarHBondContact OG-OG1 3.47Å; T745-V747 PolarHBondContact O-N 3.3Å; T745-W754 WeakPolarHBondContact O-CA 3.36Å; T745-T755 PolarHBondContact N-OG1 3.45Å; T745-T755 PolarHBondContact O-N 2.03Å
746C86.6Confident81.6Confident0 Ų061.7 Ų61.70%035%0.346CS..EExtended strand (participates in β ladder)trans-73.8105.7171.3178.20000108.4C704 Q723 A724 G725 E726 W754C704-C746 HydrophobicContact CB-CB 3.76Å; C704-C746 WeakPolarHBondContact CB-SG 3.5Å; C704-C746 VanDerWaalsContact SG-CA 3.51Å; C704-C746 WeakPolarHBondContact SG-CB 3.42Å; C704-C746 CovalentContact SG-SG 2.03Å; C704-C746 PolarHBondContact SG-SG 3.11Å; Q723-C746 WeakPolarHBondContact O-CB 3.41Å; A724-C746 WeakPolarHBondContact CA-O 3.43Å; G725-C746 PolarHBondContact N-O 3.35Å; E726-C746 PolarHBondContact O-N 3.46Å; C746-W754 HydrophobicContact CB-CE3 4.17Å; C746-W754 HydrophobicContact CB-CH2 4.09Å; C746-W754 HydrophobicContact CB-CZ2 4.49Å; C746-W754 HydrophobicContact CB-CZ3 3.92Å; C746-W754 VanDerWaalsContact N-CZ3 3.34Å
747V82.1Confident81.7Confident63 Ų6366.4 Ų66.438%0.38237%0.37SS..EExtended strand (participates in β ladder)trans-88.4137.2176.4-77.30000111T745 G749 S752 Q753 T755T745-V747 PolarHBondContact O-N 3.3Å; V747-G749 PolarHBondContact O-N 3.23Å; V747-S752 WeakPolarHBondContact O-CB 3.41Å; V747-Q753 WeakPolarHBondContact CG2-O 3.37Å; V747-Q753 PolarHBondContact N-O 2.98Å; V747-Q753 PolarHBondContact O-N 2.9Å; V747-T755 HydrophobicContact CG1-CG2 3.62Å; V747-T755 HydrophobicContact CG2-CG2 4.33Å
748P75Confident81.8Confident71 Ų7162.5 Ų62.546%0.46136%0.355SS..  trans-61.2132.1-177.821.6-31.1000111.9Y701 A724Y701-P748 HydrophobicContact CD1-CB 3.65Å; Y701-P748 HydrophobicContact CD2-CB 4.06Å; Y701-P748 HydrophobicContact CE1-CB 3.42Å; Y701-P748 VanDerWaalsContact CE1-CB 3.42Å; Y701-P748 HydrophobicContact CE2-CB 3.83Å; Y701-P748 HydrophobicContact CG-CB 3.97Å; Y701-P748 VanDerWaalsContact CZ-CB 3.5Å; A724-P748 HydrophobicContact CB-CB 3.84Å; A724-P748 HydrophobicContact CB-CG 4.46Å
749G66.3Low81.8Confident21 Ų2160.7 Ų60.722%0.21635%0.346CS..  trans-166.5-172.7178.400000113.1V747 P751 S752V747-G749 PolarHBondContact O-N 3.23Å; G749-P751 CarbonylContact C-O 3.54Å; G749-P751 CarbonylContact O-C 3.54Å; G749-S752 PolarHBondContact N-OG 3.44Å; G749-S752 PolarHBondContact O-N 3.33Å; G749-S752 PolarHBondContact O-OG 3.44Å
750H63.8Low82Confident130 Ų13061.4 Ų61.460%0.60235%0.35SS*.THydrogen-bonded Turntrans-132.987.3175.4-64-65.3000110.2
751P67.3Low82.1Confident77 Ų7759.6 Ų59.650%0.533%0.329SS..THydrogen-bonded Turncis-72.8160.4-5.132.6-36.7000112.5G749G749-P751 CarbonylContact C-O 3.54Å; G749-P751 CarbonylContact O-C 3.54Å
752S76.6Confident81.8Confident12 Ų1259.9 Ų59.98%0.08433%0.329CS..  trans-67.1147.1170-54.90000110.6E702 V747 G749E702-S752 WeakPolarHBondContact O-CB 3.41Å; E702-S752 PolarHBondContact O-OG 2.89Å; V747-S752 WeakPolarHBondContact O-CB 3.41Å; G749-S752 PolarHBondContact N-OG 3.44Å; G749-S752 PolarHBondContact O-N 3.33Å; G749-S752 PolarHBondContact O-OG 3.44Å
753Q81.6Confident81.4Confident128 Ų12862.5 Ų62.560%0.59834%0.344SS*.EExtended strand (participates in β ladder)trans-133.6158.2-172.5-62.2-178.130.600111.2V747V747-Q753 WeakPolarHBondContact CG2-O 3.37Å; V747-Q753 PolarHBondContact N-O 2.98Å; V747-Q753 PolarHBondContact O-N 2.9Å
754W86.7Confident80.1Confident46 Ų4662.8 Ų62.817%0.17435%0.351CS..EExtended strand (participates in β ladder)trans-80142.3171.9-67.1104.4000110.6C704 L705 P707 Y722 L728 I744 T745 C746 S756C704-W754 HydrophobicContact CB-CD2 4.36Å; C704-W754 HydrophobicContact CB-CZ2 3.74Å; L705-W754 PolarHBondContact O-NE1 3.23Å; P707-W754 HydrophobicContact CG-CD2 4.37Å; P707-W754 HydrophobicContact CG-CZ2 4.2Å; Y722-W754 HydrophobicContact CD1-CH2 4.05Å; Y722-W754 AromaticContact CD2-CH2 3.92Å; Y722-W754 HydrophobicContact CD2-CH2 3.92Å; Y722-W754 AromaticContact CD2-CZ2 3.66Å; Y722-W754 HydrophobicContact CD2-CZ2 3.66Å; Y722-W754 HydrophobicContact CE2-CZ2 4.37Å; Y722-W754 AromaticContact CG-CH2 3.61Å; Y722-W754 HydrophobicContact CG-CH2 3.61Å; Y722-W754 AromaticContact CG-CZ2 3.81Å; Y722-W754 HydrophobicContact CG-CZ2 3.81Å; L728-W754 HydrophobicContact CB-CH2 4.25Å; L728-W754 HydrophobicContact CB-CZ3 4.18Å; I744-W754 HydrophobicContact CB-CE3 4.3Å; I744-W754 HydrophobicContact CD1-CB 4.3Å; I744-W754 HydrophobicContact CD1-CD2 4.11Å; I744-W754 HydrophobicContact CD1-CE3 4.02Å; I744-W754 HydrophobicContact CD1-CG 4.24Å; I744-W754 HydrophobicContact CG1-CD2 4.33Å; I744-W754 HydrophobicContact CG1-CE3 3.72Å; I744-W754 HydrophobicContact CG1-CZ3 4.22Å; T745-W754 WeakPolarHBondContact O-CA 3.36Å; C746-W754 HydrophobicContact CB-CE3 4.17Å; C746-W754 HydrophobicContact CB-CH2 4.09Å; C746-W754 HydrophobicContact CB-CZ2 4.49Å; C746-W754 HydrophobicContact CB-CZ3 3.92Å; C746-W754 VanDerWaalsContact N-CZ3 3.34Å; W754-S756 WeakPolarHBondContact CB-O 3.37Å; W754-S756 PolarHBondContact O-N 2.67Å
755T88.4Confident78.6Confident79 Ų7971.3 Ų71.349%0.48538%0.384SS..SBendtrans-60.1-24.7177.548.90000114.1T745 V747T745-T755 PolarHBondContact N-OG1 3.45Å; T745-T755 PolarHBondContact O-N 2.03Å; V747-T755 HydrophobicContact CG1-CG2 3.62Å; V747-T755 HydrophobicContact CG2-CG2 4.33Å
756S84.3Confident76.6Confident50 Ų5077.9 Ų77.935%0.3541%0.413SS..SBendtrans-154.2170.9174.5-164.40000110.5W754W754-S756 WeakPolarHBondContact CB-O 3.37Å; W754-S756 PolarHBondContact O-N 2.67Å
757Q83.9Confident74.6Confident164 Ų16484.2 Ų84.277%0.76644%0.443SS*.PPolyproline II helixtrans-75.7155.7171.5-66.3-176.73.700110.5
758P82.9Confident72.7Confident46 Ų4687.7 Ų87.730%0.29946%0.458SS..PPolyproline II helixtrans-60.1139176.325.1-34.3000111.2F730F730-P758 HydrophobicContact CE1-CB 4.5Å; F730-P758 HydrophobicContact CE2-CB 4.27Å; F730-P758 HydrophobicContact CZ-CB 3.99Å
759P86.8Confident71Confident3 Ų391.8 Ų91.82%0.01948%0.475CS..PPolyproline II helixtrans-73.4158.4-175.631.9-37000112.3P710 F730 L738 E741P710-P759 WeakPolarHBondContact CB-O 3.4Å; F730-P759 HydrophobicContact CB-CG 3.68Å; F730-P759 HydrophobicContact CD2-CG 3.79Å; F730-P759 HydrophobicContact CG-CG 3.89Å; L738-P759 HydrophobicContact CD1-CB 4.5Å; L738-P759 HydrophobicContact CD1-CG 4.15Å; L738-P759 HydrophobicContact CD2-CB 3.43Å; L738-P759 VanDerWaalsContact CD2-CB 3.43Å; L738-P759 HydrophobicContact CD2-CG 3.9Å; L738-P759 HydrophobicContact CG-CB 3.88Å; L738-P759 HydrophobicContact CG-CG 4.06Å; E741-P759 WeakPolarHBondContact O-CG 3.41Å
760L85.6Confident69.7Low105 Ų10597.4 Ų97.455%0.5550%0.5SS..EExtended strand (participates in β ladder)trans-106.4133.9-178.6-64.1172.5000111.5I739I739-L760 PolarHBondContact N-O 2.8Å; I739-L760 PolarHBondContact O-N 3.31Å
761C87.1Confident68.3Low15 Ų1597.5 Ų97.510%0.10151%0.505CS..EExtended strand (participates in β ladder)trans-90.6122.1174.2-61.20000110.4E711 N712 C732 F736 E737E711-C761 WeakPolarHBondContact O-CB 3.27Å; N712-C761 HydrophobicContact CB-CB 4.38Å; C732-C761 WeakPolarHBondContact CA-SG 3.22Å; C732-C761 HydrophobicContact CB-CB 3.74Å; C732-C761 WeakPolarHBondContact CB-SG 3.46Å; C732-C761 WeakPolarHBondContact SG-CA 3.42Å; C732-C761 WeakPolarHBondContact SG-CB 3.05Å; C732-C761 CovalentContact SG-SG 2.03Å; C732-C761 PolarHBondContact SG-SG 2.98Å; F736-C761 HydrophobicContact CB-CB 4Å; F736-C761 HydrophobicContact CD1-CB 4.4Å; F736-C761 HydrophobicContact CG-CB 4.48Å; E737-C761 WeakPolarHBondContact O-CA 3.42Å
762K79.9Confident66.9Low115 Ų115105.6 Ų105.650%0.553%0.526SS..EExtended strand (participates in β ladder)trans-129.6149.8178.2-62.6-164.1-169.7174.60111.9F736 E737 I739F736-K762 CarbonylContact C-O 3.35Å; F736-K762 VanDerWaalsContact CA-O 3.27Å; F736-K762 WeakPolarHBondContact CA-O 3.27Å; E737-K762 PolarHBondContact N-O 3.22Å; E737-K762 PolarHBondContact O-N 3.24Å; I739-K762 HydrophobicContact CD1-CB 4.06Å; I739-K762 HydrophobicContact CD1-CD 3.8Å; I739-K762 HydrophobicContact CD1-CG 4Å
763V78.3Confident64.7Low108 Ų108112.6 Ų112.666%0.65556%0.555SS**EExtended strand (participates in β ladder)trans-63.5138.2178.9-1730000110.4F736F736-V763 HydrophobicContact CD1-CG2 4.03Å; F736-V763 HydrophobicContact CE1-CG2 3.66Å; F736-V763 HydrophobicContact CZ-CG2 4.17Å
764A61.3Low62.7Low50 Ų50113.1 Ų113.141%0.41356%0.561SS.*  trans-94.7152.4178.900000112.9E737E737-A764 HydrophobicContact CB-CB 4.45Å
765Y57.8Low60.1Low178 Ų178118.7 Ų118.770%0.69859%0.589SS**  trans73.6141.7-176.1-139.3-116.8000113.8
766E45.5Very low57.6Low174 Ų174120.6 Ų120.681%0.81360%0.6SS**  cis-129.1-163.329.6-169.4157.3-118.700113.4
767E46.1Very low55Low134 Ų134124.5 Ų124.563%0.62662%0.622SS**  trans-129.2176.4-145.4-165.6-176.8-108.500115.1
768L42Very low52.4Low136 Ų136124.7 Ų124.771%0.71262%0.623SS**  trans104.1138.3152.5-58.9169.1000121.5
769L39.6Very low49.9Very low157 Ų157127.9 Ų127.982%0.82264%0.642SS**  trans70.7142.6157.8-64.8153.9000118
770D37.8Very low47.2Very low138 Ų138134.2 Ų134.274%0.73868%0.681SS**  cis-145.2-178.93.8-168.919000112.3
771N35.6Very low44.7Very low132 Ų132135.7 Ų135.771%0.70669%0.689SS**  trans-93.3141.7-161-65.4-97.8000116.6
772R37Very low42.5Very low248 Ų248140.4 Ų140.494%0.93672%0.719SS**  trans159147.8132.5-88.7163.7172.8-175.7-1.6109.8
773K31Very low40.1Very low159 Ų159139.1 Ų139.169%0.69173%0.725SS**  cis-148.315030.9-172.5-154.5164.8-156.10111.2E775K773-E775 VanDerWaalsContact CE-OE1 3.22Å; K773-E775 WeakPolarHBondContact CE-OE1 3.1Å; K773-E775 IonicContact NZ-OE1 2.62Å; K773-E775 PolarHBondContact NZ-OE1 2.82Å; K773-E775 IonicContact NZ-OE2 3.63Å
774L39.7Very low38Very low138 Ų138146 Ų14672%0.72374%0.739SS**  trans-76.4162.5170.7-67.575.4000112.5
775E31.8Very low36.6Very low163 Ų163151.4 Ų151.476%0.76276%0.756SS**  -152.6150.9123.1-114.9145.8-133.600111.3K773K773-E775 VanDerWaalsContact CE-OE1 3.22Å; K773-E775 WeakPolarHBondContact CE-OE1 3.1Å; K773-E775 IonicContact NZ-OE1 2.62Å; K773-E775 PolarHBondContact NZ-OE1 2.82Å; K773-E775 IonicContact NZ-OE2 3.63Å
776V36.5Very low35.5Very low120 Ų120150.9 Ų150.973%0.72776%0.764SS**  trans-148.8123.8-169.3174.80000111.1
777T28.1Very low35.1Very low131 Ų131150 Ų15080%0.80476%0.76SS**  trans-160.9122.4158.532.30000107.3
778Q30.4Very low34.8Very low168 Ų168147.5 Ų147.579%0.78577%0.77SS**  87127.760.8-103.2-165.3-9.300116.4
779T29.6Very low34.8Very low113 Ų113144.2 Ų144.269%0.69377%0.769SS**  trans76.1135.7148.947.60000123.4
780T30.1Very low35.2Very low137 Ų137143.4 Ų143.484%0.8477%0.766SS**  trans82.3127.6146.7390000122.3
781D33.8Very low36Very low135 Ų135145 Ų14572%0.72277%0.774SS**  trans-68.1152.8166.7-168.721.8000110.8S783D781-S783 PolarHBondContact OD1-N 2.78Å
782P39.6Very low36.8Very low114 Ų114141.8 Ų141.874%0.7477%0.765SS**  -147.2121.992.535.5-16.9000116.3
783S30.5Very low37.7Very low88 Ų88135.8 Ų135.862%0.61575%0.751SS**  trans27.8127.9138.2660000121.3D781D781-S783 PolarHBondContact OD1-N 2.78Å
784R34.7Very low38.9Very low252 Ų252132.2 Ų132.295%0.95175%0.751SS**  -142.1140.5124.1-82.3-150.1167.8-174.4-3.6111.4
785Q30.8Very low39.8Very low164 Ų164131.2 Ų131.277%0.76675%0.745SS**  trans-77.5152.5179.6-61.1163.8-94.100112.3
786L35.1Very low41.1Very low168 Ų168129.2 Ų129.288%0.8874%0.739SS**  -157.4134.2121.9-117.7141.5000110.3
787E38Very low42.2Very low156 Ų156129.7 Ų129.773%0.72974%0.737SS**  trans-68.6159.1171.7-66.5123.1128.600110.9
788G40Very low43.8Very low80 Ų80127 Ų12783%0.82572%0.722SS**  cis10565.814.400000111.7
789G40.7Very low45.4Very low68 Ų68124.1 Ų124.170%0.70171%0.711SS**  trans-170.5112.7-17900000116.9
790N48Very low47.2Very low140 Ų140120.6 Ų120.675%0.74970%0.697SS**  trans5386.2146.1-59.2-15.9000119.9A792N790-A792 PolarHBondContact O-N 2.86Å
791L54.3Low48.9Very low172 Ų172119.3 Ų119.390%0.90168%0.684SS**THydrogen-bonded Turntrans-68.211.6163.5-148.785.4000114.5
792A53.8Low50.8Low63 Ų63117.8 Ų117.852%0.52168%0.68SS.*THydrogen-bonded Turntrans-93.4-17.8-16700000115N790N790-A792 PolarHBondContact O-N 2.86Å
793L54.6Low52.2Low122 Ų122118.1 Ų118.164%0.63967%0.674SS**Hα-helixtrans-85.3-15.8-173.1-91.5161.8000114.8I795L793-I795 PolarHBondContact O-N 2.81Å
794A57.6Low54Low85 Ų85118.9 Ų118.970%0.70268%0.675SS**Hα-helixtrans-75.7-18.5-175.600000114.6
795I58.5Low55.8Low116 Ų116112.2 Ų112.260%0.59566%0.657SS**Hα-helixtrans-106.1-27.6-171-60176.6000112.5L793 P798 L799L793-I795 PolarHBondContact O-N 2.81Å; I795-P798 WeakPolarHBondContact O-CD 3.02Å; I795-P798 WeakPolarHBondContact O-CG 3.47Å; I795-L799 HydrophobicContact CG2-CD1 4.4Å
796L58.2Low57.8Low121 Ų121106.5 Ų106.563%0.63464%0.642SS**Hα-helixtrans-79.5-29.6-174.2-65.7174.4000114G800L796-G800 PolarHBondContact O-N 2.84Å
797L59.9Low59.1Low130 Ų130101.3 Ų101.368%0.68162%0.621SS**Hα-helixtrans-61.2-48.7179.7-80.9164.9000114.7L799L797-L799 PolarHBondContact O-N 2.59Å
798P61.9Low60.5Low76 Ų7695.9 Ų95.949%0.49461%0.606SS.*Hα-helixtrans-67.4-34.8179.124.7-34.2000113.2I795 L801 V802I795-P798 WeakPolarHBondContact O-CD 3.02Å; I795-P798 WeakPolarHBondContact O-CG 3.47Å; P798-L801 PolarHBondContact O-N 2.92Å; P798-V802 PolarHBondContact O-N 2.77Å
799L64.7Low62Low107 Ų10796.8 Ų96.856%0.5660%0.595SS**Hα-helixtrans-67.6-40.3-178.3-76.7167.6000112.7I795 L797 L801 I803I795-L799 HydrophobicContact CG2-CD1 4.4Å; L797-L799 PolarHBondContact O-N 2.59Å; L799-L801 VanDerWaalsContact C-N 3.3Å; L799-L801 PolarHBondContact O-N 2.93Å; L799-I803 WeakPolarHBondContact O-CG1 3Å; L799-I803 PolarHBondContact O-N 3.2Å
800G65.6Low62.8Low38 Ų38101.6 Ų101.639%0.39259%0.594SS.*Hα-helixtrans-62.9-36.3175.300000113L796 I803 V804L796-G800 PolarHBondContact O-N 2.84Å; G800-I803 PolarHBondContact O-N 3.47Å; G800-V804 WeakPolarHBondContact O-CG2 3.47Å; G800-V804 PolarHBondContact O-N 2.78Å
801L66.6Low63.4Low110 Ų110100.4 Ų100.458%0.57659%0.586SS**Hα-helixtrans-67.9-39.3-176.8-143.6162.9000111.8P798 L799 V804 L805P798-L801 PolarHBondContact O-N 2.92Å; L799-L801 VanDerWaalsContact C-N 3.3Å; L799-L801 PolarHBondContact O-N 2.93Å; L801-V804 PolarHBondContact O-N 2.98Å; L801-L805 HydrophobicContact CD2-CD1 3.61Å; L801-L805 HydrophobicContact CD2-CG 4.09Å; L801-L805 WeakPolarHBondContact O-CG 3.47Å; L801-L805 PolarHBondContact O-N 3.47Å; L801-L805 VanDerWaalsContact O-N 3.15Å
802V74.3Confident63.9Low104 Ų104100.1 Ų100.163%0.6357%0.574SS**Hα-helixtrans-63.5-40.7175.3175.50000111.9P798 L805 G806P798-V802 PolarHBondContact O-N 2.77Å; V802-L805 PolarHBondContact O-N 3.02Å; V802-G806 PolarHBondContact O-N 2.87Å
803I69.2Low64.2Low121 Ų121105 Ų10562%0.62158%0.58SS**Hα-helixtrans-68-39.2-178.9-65168.2000111.4L799 G800 S807L799-I803 WeakPolarHBondContact O-CG1 3Å; L799-I803 PolarHBondContact O-N 3.2Å; G800-I803 PolarHBondContact O-N 3.47Å; I803-S807 WeakPolarHBondContact O-CB 3.43Å; I803-S807 PolarHBondContact O-N 3.38Å; I803-S807 VanDerWaalsContact O-N 3.13Å; I803-S807 PolarHBondContact O-OG 3.2Å
804V68.6Low64.3Low103 Ų103102.6 Ų102.662%0.62457%0.571SS**Hα-helixtrans-67.7-39.3176.8173.30000111.7G800 L801 S807 G808G800-V804 WeakPolarHBondContact O-CG2 3.47Å; G800-V804 PolarHBondContact O-N 2.78Å; L801-V804 PolarHBondContact O-N 2.98Å; V804-S807 PolarHBondContact O-OG 3.33Å; V804-S807 VanDerWaalsContact O-OG 3.13Å; V804-G808 PolarHBondContact O-N 2.81Å
805L71.6Confident64Low112 Ų112107.3 Ų107.359%0.58658%0.575SS**Hα-helixtrans-70.3-42.9177.1-69.1174.2000112.3L801 V802 S807 G808 V809L801-L805 HydrophobicContact CD2-CD1 3.61Å; L801-L805 HydrophobicContact CD2-CG 4.09Å; L801-L805 WeakPolarHBondContact O-CG 3.47Å; L801-L805 PolarHBondContact O-N 3.47Å; L801-L805 VanDerWaalsContact O-N 3.15Å; V802-L805 PolarHBondContact O-N 3.02Å; L805-S807 PolarHBondContact O-N 2.7Å; L805-G808 PolarHBondContact O-N 3.07Å; L805-V809 PolarHBondContact O-N 2.92Å
806G73.7Confident63.8Low44 Ų44107.9 Ų107.945%0.45458%0.579SS.*Hα-helixtrans-63.3-40.9178.700000113.5V802 V809 Y810V802-G806 PolarHBondContact O-N 2.87Å; G806-V809 PolarHBondContact O-N 3.37Å; G806-Y810 PolarHBondContact O-N 2.92Å
807S61.8Low63.5Low60 Ų60109.4 Ų109.442%0.4258%0.583SS.*Hα-helixtrans-68-34.8177.2490000113I803 V804 L805 Y810 I811I803-S807 WeakPolarHBondContact O-CB 3.43Å; I803-S807 PolarHBondContact O-N 3.38Å; I803-S807 VanDerWaalsContact O-N 3.13Å; I803-S807 PolarHBondContact O-OG 3.2Å; V804-S807 PolarHBondContact O-OG 3.33Å; V804-S807 VanDerWaalsContact O-OG 3.13Å; L805-S807 PolarHBondContact O-N 2.7Å; S807-Y810 PolarHBondContact O-N 3.3Å; S807-I811 WeakPolarHBondContact O-CG1 3.27Å; S807-I811 PolarHBondContact O-N 2.97Å
808G66.8Low63.1Low42 Ų42106.9 Ų106.943%0.43359%0.588SS.*Hα-helixtrans-61.4-44.2172.400000113.4V804 L805 I811 Y812V804-G808 PolarHBondContact O-N 2.81Å; L805-G808 PolarHBondContact O-N 3.07Å; G808-I811 PolarHBondContact O-N 3.08Å; G808-Y812 PolarHBondContact O-N 2.96Å; G808-Y812 VanDerWaalsContact O-N 3.11Å
809V71.2Confident62.4Low98 Ų98112.1 Ų112.159%0.59460%0.603SS**Hα-helixtrans-64.8-40.4178174.90000111.6L805 G806 I811 Y812 Y813L805-V809 PolarHBondContact O-N 2.92Å; G806-V809 PolarHBondContact O-N 3.37Å; V809-I811 PolarHBondContact O-N 3.32Å; V809-Y812 PolarHBondContact O-N 3.49Å; V809-Y813 PolarHBondContact O-N 2.9Å
810Y58.8Low61Low170 Ų170113 Ų11367%0.66762%0.618SS**Hα-helixtrans-64.7-39.5179-171.7-99.7000113G806 S807 Y813 T814G806-Y810 PolarHBondContact O-N 2.92Å; S807-Y810 PolarHBondContact O-N 3.3Å; Y810-Y813 PolarHBondContact O-N 2.83Å; Y810-T814 HydrophobicContact CD1-CG2 4.48Å; Y810-T814 HydrophobicContact CE1-CG2 4.14Å; Y810-T814 WeakPolarHBondContact O-CG2 3.44Å; Y810-T814 PolarHBondContact O-N 2.62Å; Y810-T814 VanDerWaalsContact O-N 3.11Å; Y810-T814 PolarHBondContact O-OG1 2.89Å
811I60.4Low59.8Low114 Ų114118.4 Ų118.459%0.58564%0.638SS**Hα-helixtrans-69.4-35175.9-67.2169.8000111.3S807 G808 V809 T814 K815S807-I811 WeakPolarHBondContact O-CG1 3.27Å; S807-I811 PolarHBondContact O-N 2.97Å; G808-I811 PolarHBondContact O-N 3.08Å; V809-I811 PolarHBondContact O-N 3.32Å; I811-T814 PolarHBondContact O-OG1 3.37Å; I811-K815 PolarHBondContact O-N 2.03Å
812Y64.6Low58.3Low167 Ų167122.4 Ų122.466%0.65565%0.651SS**Hα-helixtrans-65.1-45.7174.1-174.6-102.7000111.9G808 V809 K815G808-Y812 PolarHBondContact O-N 2.96Å; G808-Y812 VanDerWaalsContact O-N 3.11Å; V809-Y812 PolarHBondContact O-N 3.49Å; Y812-K815 PolarHBondContact O-N 2.84Å
813Y59.7Low56.2Low164 Ų164121 Ų12164%0.64366%0.657SS**Hα-helixtrans-66.4-42.3-178-144.2-85.3000112.6V809 Y810 K815 L816V809-Y813 PolarHBondContact O-N 2.9Å; Y810-Y813 PolarHBondContact O-N 2.83Å; Y813-K815 VanDerWaalsContact C-N 3.3Å; Y813-K815 PolarHBondContact O-N 2.94Å; Y813-L816 PolarHBondContact O-N 3.15Å
814T56.6Low54.3Low72 Ų72123.9 Ų123.944%0.44267%0.665SS.*Hα-helixtrans-67.8-27.5179.3460000113.1Y810 I811 L816Y810-T814 HydrophobicContact CD1-CG2 4.48Å; Y810-T814 HydrophobicContact CE1-CG2 4.14Å; Y810-T814 WeakPolarHBondContact O-CG2 3.44Å; Y810-T814 PolarHBondContact O-N 2.62Å; Y810-T814 VanDerWaalsContact O-N 3.11Å; Y810-T814 PolarHBondContact O-OG1 2.89Å; I811-T814 PolarHBondContact O-OG1 3.37Å; T814-L816 VanDerWaalsContact C-N 3.33Å; T814-L816 PolarHBondContact O-N 2.77Å
815K52.1Low52.4Low184 Ų184124.6 Ų124.680%0.868%0.675SS**Hα-helixtrans-77.2-14.7176.4-138.1-172.2-176.3-168.20114.3I811 Y812 Y813I811-K815 PolarHBondContact O-N 2.03Å; Y812-K815 PolarHBondContact O-N 2.84Å; Y813-K815 VanDerWaalsContact C-N 3.3Å; Y813-K815 PolarHBondContact O-N 2.94Å
816L53.3Low50.4Low128 Ų128122.7 Ų122.767%0.6768%0.683SS**THydrogen-bonded Turntrans-87-16.5-178.4-118.480.2000114.7Y813 T814Y813-L816 PolarHBondContact O-N 3.15Å; T814-L816 VanDerWaalsContact C-N 3.33Å; T814-L816 PolarHBondContact O-N 2.77Å
817Q52.9Low48.4Very low154 Ų154125.3 Ų125.372%0.7269%0.694SS**SBendtrans-11016.9-176.1-72.9-157.3-25.800115.3K819Q817-K819 VanDerWaalsContact C-N 3.3Å; Q817-K819 PolarHBondContact O-N 2.98Å
818G51.3Low46.9Very low77 Ų77131 Ų13179%0.79471%0.713SS**  trans62.221.4157.700000117.7
819K45.7Very low45Very low186 Ų186133.1 Ų133.181%0.80972%0.721SS**  trans-112.5121.8176.5-76.2-176.6176.2177.70111.9Q817Q817-K819 VanDerWaalsContact C-N 3.3Å; Q817-K819 PolarHBondContact O-N 2.98Å
820S36.4Very low43Very low124 Ų124139.2 Ų139.287%0.86774%0.736SS**  trans-72.5143.7172.6-172.40000111
821L39.8Very low41.6Very low153 Ų153135.7 Ų135.780%0.80174%0.735SS**  trans-130.693.1174.4-83.4170.6000109.8
822F35.6Very low41.3Very low194 Ų194135.2 Ų135.285%0.85174%0.74SS**  trans-170.3120134.8-103.4-66000110.1F824F822-F824 HydrophobicContact CD1-CE2 4.22Å
823G29.4Very low39.6Very low74 Ų74133.9 Ų133.976%0.76374%0.743SS**  trans-146.2135.3171.100000108.2
824F30.1Very low38.1Very low182 Ų182131.9 Ų131.980%0.79875%0.748SS**  trans-104147-163.3-92-95000114.3F822F822-F824 HydrophobicContact CD1-CE2 4.22Å
825S29.4Very low36.8Very low117 Ų117133.8 Ų133.882%0.81876%0.759SS**  trans69.9104.3139-175.40000121.2
826G29.8Very low35.6Very low73 Ų73131.8 Ų131.875%0.75375%0.753SS**  trans104.9156.5135.900000117.4
827S29.8Very low34.6Very low98 Ų98131.6 Ų131.669%0.68576%0.762SS**  cis-170.7146.2-18.9570000110.3
828H31.5Very low33.4Very low179 Ų179130.8 Ų130.883%0.82976%0.762SS**  trans65.9153.4168.6-66.2-66.5000116.3
829S27Very low32.3Very low87 Ų87136.6 Ų136.661%0.60877%0.766SS**  cis-165162.4-10.1-108.20000111.6
830Y28.9Very low31.7Very low227 Ų227132.6 Ų132.689%0.8976%0.761SS**  trans69174.8161.7-90.1-77.8000120
831S28.8Very low31.4Very low95 Ų95133.8 Ų133.866%0.66476%0.758SS**  trans-157.7-175.6-157.261.30000109.3
832P53.9Low31.5Very low104 Ų104131.6 Ų131.668%0.67575%0.753SS**  cis-129.4-156.3-41.130.5-8.7000111.4
833I29.7Very low31.2Very low140 Ų140129.3 Ų129.372%0.71875%0.749SS**  trans87.9116.1149.7-78.8168.4000120.3
834T28.7Very low31.3Very low122 Ų122136.7 Ų136.775%0.74876%0.755SS**  trans61.6152.8156.357.10000118.2
835V28.1Very low31.3Very low112 Ų112136.9 Ų136.968%0.67976%0.759SS**  cis-153.1160.244.1155.40000111.7
836E28.2Very low31.5Very low142 Ų142136 Ų13666%0.66476%0.759SS**  trans-14.5144.3165.7-66.778.4-83.600120.5
837S31.3Very low31.5Very low123 Ų123136.3 Ų136.386%0.8676%0.762SS**  -153.6127.6116.3-40.40000111.3
838D28.9Very low31.5Very low137 Ų137138.3 Ų138.373%0.73377%0.765SS**  trans-72.7167.3166.1-62.6-81.7000112.2
839F28.1Very low31.6Very low200 Ų200134.9 Ų134.988%0.87776%0.757SS**  -169.9112.8111.5-111.8-80.1000113.6
840S32Very low31.8Very low101 Ų101140.5 Ų140.571%0.70676%0.764SS**  trans54.5103.1145.7-64.20000123.2
841N30Very low32Very low150 Ų150137 Ų13780%0.80276%0.756SS**  -59.5165128.8-141.68000109.3
842P43.4Very low32Very low106 Ų106142.6 Ų142.669%0.68876%0.764SS**  cis-150.4167.748.137.4-14.6000118.6
843L29Very low30.9Very low146 Ų146145.9 Ų145.976%0.76477%0.771SS**  156.698.9122.1-86.5162.6000113.8
844Y30Very low31.2Very low230 Ų230146 Ų14690%0.90278%0.778SS**  -169.1149.8108.6-117.1-85.5000109.3
845E31.1Very low31.3Very low185 Ų185144.7 Ų144.786%0.86477%0.773SS**  trans-142.8160.5-171.7-163.6175-132.600111.3
846A33.8Very low31.7Very low100 Ų100151 Ų15183%0.82680%0.8SS**  trans65.4133.3-177.400000116.4
847G29.7Very low31.9Very low79 Ų79151.4 Ų151.481%0.81481%0.807SS**  cis123.3131.5-11.800000114.9
848D29.3Very low32Very low139 Ų139152.9 Ų152.974%0.74381%0.805SS**  trans-155.3179.1145.2-159.3-0.4000109.2
849T33Very low32.1Very low108 Ų108153.8 Ų153.866%0.66381%0.809SS**  trans-133.1147.7-159.153.60000112.5
850R32.8Very low32.4Very low204 Ų204151.1 Ų151.177%0.7781%0.805SS**  trans171.7109.8150.6-94.1148.9-118.7-134.91.3107.8
851E31.3Very low32.4Very low154 Ų154154.2 Ų154.272%0.7281%0.811SS**  82.3109.573.6-81.8-163.3141.700113.6
852Y30Very low32.5Very low213 Ų213154.5 Ų154.584%0.83581%0.811SS**  trans53.5144.8154.2-51-67.4000118.4
853E31.6Very low31.8Very low173 Ų173157.9 Ų157.981%0.80882%0.82SS**  cis-153.6160.843.8-175166.3-136.600112.5
854V35.3Very low32Very low142 Ų142158.8 Ų158.886%0.86182%0.824SS**  trans-118.8123.7174.7172.50000109.2
855S29.8Very low32.2Very low94 Ų94152.9 Ų152.966%0.65782%0.818SS**  trans-158.7117.7158.538.10000114.2
856I38.1Very low32.2Very low244 Ų244150 Ų150100%1.25181%0.814SS**  trans52.10145.3-43.2178.8000117.2

Retrieved 856 of 856 residues in 886.6 ms (Link to these results)