ST15B_HUMAN Loading...

Synaptotagmin-15B

AlphaFold DB , UniProt , Accession X6R8R1, Species HUMAN (Homo sapiens, Human), Gene SYT15B, Length 474 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.2Very low42.8Very low252 Ų252136.2 Ų136.2100%1.24183%0.832SS**  0105.80-57.9179.7-17900104.9
2G36.6Very low42.4Very low71 Ų71134.7 Ų134.773%0.73283%0.831SS**  86117.868.500000106.7
3V40.5Very low41.8Very low138 Ų138141.5 Ų141.584%0.83683%0.832SS**  cis-152.9118.549.5166.10000107.4
4V42.1Very low41.3Very low117 Ų117149.1 Ų149.171%0.70984%0.84SS**  5311582.5-178.70000115.8
5L42Very low41.4Very low172 Ų172150.1 Ų150.190%0.90184%0.835SS**  -166.9154.1129.9-102.4169.9000111.1
6S43.5Very low41.5Very low101 Ų101148.3 Ų148.371%0.70683%0.832SS**  trans-105.1168.9-155.7-61.60000114.4
7P46.7Very low41.2Very low128 Ų128150.2 Ų150.283%0.83184%0.839SS**PPolyproline II helixtrans-90.3160.1-168.136-35.4000114.8
8H42.3Very low41.3Very low189 Ų189146.8 Ų146.888%0.87583%0.833SS**PPolyproline II helixtrans-101.5150.3173-103.7-80.7000112.9
9P48.3Very low41.6Very low117 Ų117145.8 Ų145.876%0.7683%0.832SS**PPolyproline II helixtrans-96.5165-170.438.3-35.8000114.6
10A44.4Very low41.4Very low100 Ų100147.6 Ų147.683%0.82684%0.838SS**PPolyproline II helixtrans-93.2151.8174.400000113.1
11P45.8Very low41.2Very low113 Ų113145 Ų14573%0.73484%0.835SS**  trans-112.7121.6168.234.5-24.3000114.8
12S38.5Very low41.5Very low118 Ų118139.3 Ų139.383%0.82582%0.817SS**  trans38.8139.113945.10000124.5
13R34.8Very low41.3Very low223 Ų223139.6 Ų139.684%0.84282%0.82SS**  trans-51.4154.4164.9-73.4177164.5-160.9-2113.9
14R34.8Very low40.9Very low248 Ų248139.7 Ų139.794%0.93682%0.822SS**  trans-109.6138.4156.2-71.8-176.1174-170.2-2.4110.6
15E42.3Very low40.4Very low165 Ų165145.6 Ų145.677%0.77183%0.831SS**  trans-124.3161.7161.8-97.4-173102.100109.4
16P42.3Very low40.2Very low121 Ų121143 Ų14379%0.78683%0.825SS**PPolyproline II helixtrans-88.8157.9-158.734.4-36.1000115.1
17L36.8Very low39.4Very low181 Ų181141.6 Ų141.695%0.94883%0.825SS**PPolyproline II helixtrans-97.5140.1174.6-89.3156.9000111.9
18A43.6Very low38.6Very low88 Ų88148.3 Ų148.373%0.72784%0.835SS**PPolyproline II helixtrans-101.2163.9172.900000111.2
19P46.1Very low38.1Very low128 Ų128144.9 Ų144.983%0.83183%0.831SS**PPolyproline II helixtrans-90160.1-158.635.1-36.3000115.5
20L37.8Very low37.5Very low181 Ų181145 Ų14595%0.94883%0.832SS**PPolyproline II helixtrans-101144.6173.4-76.9164.3000112
21A37.9Very low36.9Very low94 Ų94145.3 Ų145.378%0.77784%0.835SS**PPolyproline II helixtrans-88.8161.9178.700000112.5
22P44Very low36.2Very low132 Ų132146.5 Ų146.586%0.85784%0.84SS**PPolyproline II helixtrans-89.3153.6-163.534.7-35.7000115.1
23G32.6Very low35.9Very low78 Ų78146.8 Ų146.880%0.80484%0.842SS**  trans-113.3144.617600000114
24T32.1Very low35.6Very low140 Ų140139.2 Ų139.286%0.85983%0.833SS**  trans-69.1147.4-168.9-25.10000115.8
25R30.7Very low35.4Very low241 Ų241133.2 Ų133.291%0.90983%0.829SS**  trans-145.1161.4152.8-87-154.7177.3-138.7-2.1111.9
26P38.8Very low34.8Very low118 Ų118130.8 Ų130.877%0.76683%0.831SS**  trans-111.2151.4-14539.2-33.9000117.1
27G27.6Very low34.3Very low70 Ų70136.7 Ų136.772%0.72284%0.837SS**  69.9102.1123.200000121.1
28W29.5Very low33.9Very low270 Ų270133.8 Ų133.8100%1.02383%0.832SS**  trans-145.1148.2134.3-98.1-19000111.3
29S31.4Very low33.4Very low116 Ų116134.2 Ų134.281%0.81184%0.836SS**PPolyproline II helixtrans-90.9154.1-167-55.50000113.5
30P36.5Very low32.7Very low120 Ų120136.5 Ų136.578%0.77984%0.84SS**PPolyproline II helixtrans-81.7141.2173.933.5-33.5000111.8
31A31.1Very low32.4Very low106 Ų106139.4 Ų139.488%0.87684%0.838SS**PPolyproline II helixtrans-84.6122.1169.800000110.4
32V31.5Very low32.6Very low138 Ų138140.1 Ų140.184%0.83684%0.835SS**PPolyproline II helixtrans-88.6132.8168.4170.40000108.9
33S32.4Very low32Very low124 Ų124138.2 Ų138.287%0.86783%0.825SS**  trans-129.7132.8148.761.90000108.3
34G28.5Very low31.9Very low64 Ų64141.2 Ų141.266%0.6683%0.828SS**  trans-140.5137.4-17700000110.9
35S30.2Very low31.8Very low122 Ų122139.5 Ų139.585%0.85383%0.828SS**  trans174.6137.3166.2-81.20000106.2
36S29.7Very low31.8Very low115 Ų115131.5 Ų131.580%0.80482%0.82SS**  cis-150.9167.46-96.90000112.5
37R31.3Very low32.4Very low244 Ų244132.1 Ų132.192%0.92182%0.824SS**  trans-59.2147.8-178.8-56.4159172.1-137-3.1113.9
38S29.1Very low32.6Very low121 Ų121132.4 Ų132.485%0.84683%0.827SS**  -165.1120.2124.355.30000111.2
39A32.8Very low33.7Very low97 Ų97125.7 Ų125.780%0.80282%0.818SS**  trans-109.9125.1171.400000109.3
40L30.6Very low33.7Very low176 Ų176123.7 Ų123.792%0.92182%0.816SS**  trans-145.5112.3166-76.7-179.5000111.5
41R32Very low34.5Very low241 Ų241124.3 Ų124.391%0.90982%0.82SS**  trans-126.5147.5144.4-115-173.5177.7-151.8-0.3104.3
42P42.5Very low34.6Very low110 Ų110122.5 Ų122.571%0.71481%0.812SS**  -154.3-166.174.635.8-12.5000115.7
43S31.1Very low34.8Very low92 Ų92123.1 Ų123.164%0.64382%0.816SS**  trans66109.6151.238.10000119.2
44T30.6Very low34.7Very low141 Ų141120 Ų12087%0.86580%0.803SS**  83.8112.465.856.80000116.2
45A30.3Very low34.8Very low104 Ų104129.8 Ų129.886%0.8682%0.821SS**  trans-178.6143.9137.200000111.2
46G30Very low34.7Very low72 Ų72127.8 Ų127.874%0.74282%0.819SS**  trans-98.4-144.816500000110.9
47P51.6Low34.7Very low132 Ų132125.6 Ų125.686%0.85782%0.815SS**  cis-143.1159.2-4.540.9-22.8000117.7
48G32Very low34.7Very low75 Ų75121.2 Ų121.277%0.77382%0.815SS**  trans58.2-174.1146.800000121.6
49P52.3Low35Very low129 Ų129120.4 Ų120.484%0.83882%0.816SS**  cis-141.6144.2-20.738.2-20.3000117.4
50G32.2Very low35Very low75 Ų75120.9 Ų120.977%0.77382%0.82SS**  trans53.4-170.7145.800000122.4
51P52.6Low35.3Very low132 Ų132118.4 Ų118.486%0.85782%0.817SS**  cis-139.6167.8-16.941.3-24.8000117
52G33.3Very low35.2Very low68 Ų68110.4 Ų110.470%0.70181%0.81SS**  trans75.4162.9157.500000118.1
53T36.1Very low34.6Very low152 Ų152116.3 Ų116.393%0.93382%0.818SS**  cis-173.9157.1-15.54.60000107.3
54G29.7Very low34.5Very low58 Ų58123.3 Ų123.360%0.59883%0.83SS**  cis166.6157.3-5.200000111.7
55W31.9Very low34.6Very low270 Ų270123.1 Ų123.1100%1.02383%0.829SS**  trans69.6155.5177.1-51-5.4000115.6
56G27.4Very low34.9Very low80 Ų80123.9 Ų123.983%0.82582%0.824SS**  cis-170.1149-8.200000106.5
57G28.8Very low35Very low69 Ų69124.8 Ų124.871%0.71183%0.825SS**  130.8155.871.700000110.6
58T32.3Very low34.6Very low152 Ų152124.1 Ų124.193%0.93382%0.821SS**  trans64128.716644.30000121.7
59A35Very low34.5Very low104 Ų104125.2 Ų125.286%0.8682%0.823SS**  trans-81.8155.2165.600000112
60A33Very low33.6Very low106 Ų106125.8 Ų125.888%0.87682%0.823SS**  trans-143.3122.5164.500000111.1
61S36Very low33.6Very low124 Ų124130.3 Ų130.387%0.86782%0.824SS**  trans-85.8130.6171.154.50000111.4
62G30.2Very low32.5Very low73 Ų73129.3 Ų129.375%0.75382%0.819SS**  trans-149.496.5164.100000107.6
63R29.9Very low32.3Very low234 Ų234131 Ų13188%0.88383%0.826SS**  67.6111.666.6-151.9178.9-147.4-86.82.8111.9
64W29.7Very low32.2Very low240 Ų240127.9 Ų127.991%0.90982%0.816SS**  trans-65.5148-178.2-69.663.6000112.4
65V32.4Very low32.9Very low137 Ų137131.7 Ų131.783%0.8383%0.83SS**  trans-131.2113.6169.6-179.80000109.4
66P36.7Very low32.8Very low119 Ų119130.5 Ų130.577%0.77383%0.825SS**  trans-107.6145.7159.435.7-27.5000111
67A32Very low33Very low91 Ų91131.4 Ų131.475%0.75283%0.825SS**  trans-155.3153169.300000110.3
68P43.3Very low33.1Very low119 Ų119132.5 Ų132.577%0.77383%0.828SS**  cis-123.1159.7-39.936.5-25000111.8
69A30.9Very low33.1Very low98 Ų98130.7 Ų130.781%0.8183%0.828SS**  trans-81.6148.1173.100000111.6
70V32.7Very low32.8Very low140 Ų140129.3 Ų129.385%0.84882%0.824SS**  trans-118.1112.1172.7-161.10000109.6
71H32.3Very low32.9Very low171 Ų171132.9 Ų132.979%0.79282%0.822SS**  trans-118.6154.8163.5-93.3-82.9000105.6
72C29.4Very low32.8Very low110 Ų110134.3 Ų134.374%0.74382%0.815SS**  cis-163.715818.7-131.20000108.9
73A28.2Very low33Very low103 Ų103138.8 Ų138.885%0.85182%0.816SS**  trans-165.6118.3143.600000110.9
74A34.1Very low33.2Very low88 Ų88135.9 Ų135.973%0.72781%0.812SS**  trans-97.6172.4161.200000109.3
75P44.1Very low33.3Very low137 Ų137133.6 Ų133.689%0.8981%0.811SS**  -131.9167.8113.736.7-29.6000113.5
76R31Very low33.3Very low245 Ų245130.2 Ų130.293%0.92581%0.805SS**  trans-140120.2-169.4-174.9-172.1-177.8-159.40.7110.4
77A30.9Very low34.2Very low99 Ų99130.6 Ų130.682%0.81881%0.807SS**  trans-172.1154.4158.900000108.8
78A31.6Very low35.2Very low93 Ų93131 Ų13177%0.76980%0.802SS**  cis171.5148.6-31.300000107
79A31.7Very low34.7Very low113 Ų113132.9 Ų132.993%0.93481%0.805SS**  trans71138.8165.600000119.9
80G29.7Very low34.7Very low75 Ų75133.9 Ų133.977%0.77380%0.804SS**  trans145.484168.200000115.2
81H33.9Very low34.7Very low182 Ų182132.7 Ų132.784%0.84380%0.802SS**  trans-65.4166.2158.6-72.6-41.1000109.5
82Q33.9Very low35.4Very low153 Ų153130.2 Ų130.272%0.71580%0.801SS**  cis-171.7154.542-158.7145.816.300114.8
83Q34.1Very low35.5Very low168 Ų168132.5 Ų132.579%0.78581%0.806SS**  trans77.7132.1150.1-91.7162.317.200123.7
84H34.2Very low35.6Very low172 Ų172130.9 Ų130.980%0.79680%0.8SS**  trans-79.4163.3163.9-67.1-115.4000111.1
85H33.4Very low35.5Very low192 Ų192131.3 Ų131.389%0.88980%0.803SS**  -164.2161.1113.6-97.8-67.6000111
86G32.2Very low35.5Very low67 Ų67130.5 Ų130.569%0.69180%0.798SS**  trans-100.4-153.7-163.200000116.9
87P54.3Low35.6Very low126 Ų126131.1 Ų131.182%0.81880%0.8SS**  trans-107.2-151.6-146.247.6-41.9000111.6
88P54.3Low35.5Very low101 Ų101136.2 Ų136.266%0.65680%0.798SS**  cis-140.3-176.8-939.3-19000117.4
89L31.8Very low35.3Very low158 Ų158139.3 Ų139.383%0.82779%0.794SS**  trans83148.5139.8-91.3160.2000124.1
90C30.1Very low35.1Very low118 Ų118143.3 Ų143.380%0.79779%0.791SS**  trans89.8125.5159.5-66.40000122
91S33Very low35Very low115 Ų115150 Ų15080%0.80479%0.793SS**  trans-88.2-178.2160.7-32.70000109.8
92P48.1Very low34.6Very low119 Ų119151.8 Ų151.877%0.77379%0.792SS**  cis-123.8-153.331.337.4-14.9000111.5
93D31.2Very low35Very low159 Ų159150.1 Ų150.185%0.8580%0.795SS**  cis-159.2-179.43.2-155.2-7.3000111.4
94G30Very low34.6Very low69 Ų69145.8 Ų145.871%0.71180%0.795SS**  trans109.4108.3146.700000117.8
95A32.5Very low34.6Very low97 Ų97143.2 Ų143.280%0.80280%0.796SS**  trans-121.1-179164.100000109.6
96P44.3Very low34.8Very low120 Ų120140.1 Ų140.178%0.77979%0.793SS**  cis-123.2-178.3-3233.7-17.1000111.7
97R31.7Very low34.7Very low257 Ų257141.2 Ų141.297%0.9780%0.795SS**  trans-128.2145.3159.5-75.4-166.7176.1-146.1-0.2112.3
98R28.6Very low34.3Very low206 Ų206141 Ų14178%0.77780%0.795SS**  trans-140.1156.7-171.2-163.4-177.5-167.7-1437.2109.9
99F28.2Very low33Very low158 Ų158141 Ų14169%0.69380%0.803SS**  trans74.3151.9176.6-61.7-72.1000115.7
100K28.4Very low32.9Very low197 Ų197137.6 Ų137.686%0.85780%0.797SS**  cis-14617610.5-136.3158.7-1701800112.2
101R25.9Very low32.9Very low215 Ų215141.6 Ų141.681%0.81180%0.804SS**  trans-99.7164.7-171.3-79.4179162.5-168.4-5114.3
102R26.2Very low32.6Very low220 Ų220142.8 Ų142.883%0.8381%0.807SS**  trans76166.6144.8-91.4-175.1-179.6-158.50.2117.9
103P42.1Very low31.6Very low119 Ų119140.8 Ų140.877%0.77381%0.808SS**  cis-139.3-179.4-24.936.6-18.9000114.9
104G27Very low31.5Very low76 Ų76141.9 Ų141.978%0.78481%0.808SS**  trans112.7122.5135.300000119.2
105S32.8Very low31.3Very low119 Ų119144.8 Ų144.883%0.83281%0.812SS**  trans-83.7168.6160.9-54.20000111.2
106P38.8Very low30.9Very low127 Ų127145 Ų14583%0.82581%0.808SS**  -142.3169.710437.7-24.3000115
107A30.3Very low30.1Very low89 Ų89147.5 Ų147.574%0.73681%0.814SS**  trans-95.7173.1165.300000110.6
108P44.1Very low29.9Very low123 Ų123146.2 Ų146.280%0.79981%0.809SS**  -151.3167.69739.5-22.5000116.9
109A28.9Very low29.8Very low100 Ų100145.7 Ų145.783%0.82682%0.815SS**  trans29.2160.114100000122.8
110A29.1Very low29.9Very low86 Ų86144.9 Ų144.971%0.71181%0.814SS**  cis-178.7150.6-25.200000106.9
111Q29.3Very low30.3Very low202 Ų202141.5 Ų141.594%0.94481%0.812SS**  trans-164.2164.8156.6-118.6164.9102.200113.2
112T27.9Very low30.6Very low140 Ų140139.5 Ų139.586%0.85981%0.811SS**  trans-110.6159.4-152.141.50000115
113G26.6Very low30.7Very low78 Ų78132.7 Ų132.780%0.80481%0.81SS**  trans-173.7129.8166.600000111.1
114E28.2Very low30.3Very low181 Ų181130.5 Ų130.585%0.84681%0.808SS**  trans-108.6-178.6-163.5-70.7-175.584.100115.5
115T25.7Very low31Very low131 Ų131132.9 Ų132.980%0.80481%0.81SS**  trans72.4111.1165.946.40000117.3
116S25.5Very low31.3Very low102 Ų102133.4 Ų133.471%0.71381%0.811SS**  71.7115.668.8-163.50000111.4
117L27.7Very low31.2Very low172 Ų172132 Ų13290%0.90181%0.81SS**  -148.7172.969.7-93.1163.3000115.3
118R26.6Very low31.5Very low230 Ų230134.1 Ų134.187%0.86881%0.813SS**  trans-100.4136.6-170.4160.1-165.3-176.5-178.22.4111.6
119E26.4Very low31Very low194 Ų194133.8 Ų133.891%0.90781%0.811SS**  trans-160.4145.9140.7-115.9172.7158.700112.5
120Q31.4Very low31.2Very low142 Ų142137.3 Ų137.366%0.66481%0.808SS**  trans-105.5162.5165-79.7-157.841.300108.4
121P36Very low31.7Very low125 Ų125139.2 Ų139.281%0.81281%0.811SS**  -140.4159.4106.233.6-19.6000115.2
122H31.9Very low32.1Very low174 Ų174134.4 Ų134.481%0.80679%0.794SS**  trans-72.1145.2170-63.1-80.1000111.9
123G27.8Very low32.5Very low77 Ų77132.1 Ų132.179%0.79478%0.782SS**  trans-160.8138.4170.400000111
124G35.1Very low33.1Very low72 Ų72134.5 Ų134.574%0.74278%0.783SS**  trans-75.3178.4-17300000115.4
125P42Very low33.6Very low127 Ų127131.3 Ų131.383%0.82578%0.777SS**PPolyproline II helixtrans-67.6151.6-177.429.4-35.4000112.5
126P39Very low34.1Very low130 Ų130133.9 Ų133.984%0.84478%0.784SS**PPolyproline II helixtrans-69.3141.1-17528.3-34.9000112.5
127A35.3Very low34.5Very low97 Ų97137.2 Ų137.280%0.80279%0.789SS**PPolyproline II helixtrans-72.8145.8-179.200000112.7
128V36.7Very low34.6Very low134 Ų134132.5 Ų132.581%0.81278%0.782SS**PPolyproline II helixtrans-69.8133.3170.2-169.40000108.8F130V128-F130 PolarHBondContact O-N 2.95Å; V128-F130 VanDerWaalsContact O-N 3.1Å
129P35Very low34.9Very low115 Ų115132 Ų13275%0.74778%0.78SS**  trans-68.4110.3177.826.8-33.4000110.8V131P129-V131 PolarHBondContact O-N 3.47Å
130F32.8Very low35Very low175 Ų175130.1 Ų130.177%0.76878%0.776SS**  trans-75.5110.3174.1-178-103.1000110.1V128 V132V128-F130 PolarHBondContact O-N 2.95Å; V128-F130 VanDerWaalsContact O-N 3.1Å; F130-V132 HydrophobicContact CD1-CG2 3.82Å; F130-V132 HydrophobicContact CE1-CB 4.47Å; F130-V132 HydrophobicContact CE1-CG2 3.86Å; F130-V132 PolarHBondContact O-N 3.34Å
131V39.8Very low35.1Very low126 Ų126134 Ų13476%0.76479%0.785SS**  trans-80.7109170.9178.90000108.6P129 P133P129-V131 PolarHBondContact O-N 3.47Å; V131-P133 WeakPolarHBondContact O-CD 3.47Å
132V35.7Very low34.9Very low100 Ų100134 Ų13461%0.60678%0.782SS**PPolyproline II helixtrans-68.6123.9171.6-171.50000108.5F130F130-V132 HydrophobicContact CD1-CG2 3.82Å; F130-V132 HydrophobicContact CE1-CB 4.47Å; F130-V132 HydrophobicContact CE1-CG2 3.86Å; F130-V132 PolarHBondContact O-N 3.34Å
133P37.8Very low34.8Very low93 Ų93131.2 Ų131.260%0.60478%0.78SS**PPolyproline II helixtrans-63.4140.6169.7-17.731.2000109.8V131 T135V131-P133 WeakPolarHBondContact O-CD 3.47Å; P133-T135 PolarHBondContact O-N 2.85Å
134P39.8Very low35Very low127 Ų127135.3 Ų135.383%0.82578%0.782SS**PPolyproline II helixtrans-59.9127.6179.923.9-32.9000110.6L136P134-L136 PolarHBondContact O-N 2.83Å
135T38.4Very low34.9Very low115 Ų115141.1 Ų141.171%0.70679%0.79SS**PPolyproline II helixtrans-59.2127.4177.642.70000111P133 Q137P133-T135 PolarHBondContact O-N 2.85Å; T135-Q137 VanDerWaalsContact C-N 3.34Å; T135-Q137 PolarHBondContact O-N 3.15Å
136L35.4Very low34.6Very low185 Ų185140.4 Ų140.497%0.96979%0.788SS**  trans-63.192.7167.4-83161.4000109.8P134P134-L136 PolarHBondContact O-N 2.83Å
137Q34.2Very low34.5Very low171 Ų171137.6 Ų137.680%0.79978%0.783SS**  trans-103.2137.1163.2-76.3-170.6-17.900109.8T135T135-Q137 VanDerWaalsContact C-N 3.34Å; T135-Q137 PolarHBondContact O-N 3.15Å
138G29.8Very low34.1Very low73 Ų73142.4 Ų142.475%0.75379%0.788SS**  trans54.4110144.800000118.1D140G138-D140 PolarHBondContact O-N 2.98Å
139R32.1Very low33.7Very low220 Ų220148.3 Ų148.383%0.8380%0.796SS**  trans-50.2132.6149.8-75172.3163.8176.9-7.5109.4
140D29.5Very low33.5Very low154 Ų154148 Ų14882%0.82480%0.804SS**  trans-141150.6145.7-95.6-43.4000109.9G138G138-D140 PolarHBondContact O-N 2.98Å
141W33.4Very low33.4Very low224 Ų224147.4 Ų147.485%0.84881%0.808SS**  trans-87.4148.5-157.8-6680.9000113.9
142V32.2Very low32.9Very low124 Ų124145.3 Ų145.375%0.75280%0.804SS**  trans-104.3129.6167.4-178.50000109.1
143P29.4Very low32.6Very low117 Ų117146.4 Ų146.476%0.7681%0.813SS**  trans-77.5129.2175.4-5.622.1000111
144L31.8Very low32.2Very low163 Ų163153.6 Ų153.685%0.85383%0.829SS**  trans-119.2126.1161.5-74.7176.2000109.8S146L144-S146 PolarHBondContact O-N 2.87Å
145H33.3Very low31.6Very low193 Ų193155.1 Ų155.189%0.89483%0.83SS**SBendtrans-74.9100.2174.7-84.3-91.1000111
146S34.9Very low31.4Very low112 Ų112154.9 Ų154.978%0.78383%0.831SS**  trans-176.6112.8139.450.10000107L144L144-S146 PolarHBondContact O-N 2.87Å
147G37.4Very low31.1Very low72 Ų72152 Ų15274%0.74283%0.825SS**  trans-87.6124.8-176.900000111.8
148E27.3Very low31.1Very low197 Ų197150 Ų15092%0.92183%0.826SS**  trans-155.6130.1150.7-109.9165.6146.600107.9
149W27.2Very low31Very low258 Ų258150.9 Ų150.998%0.97783%0.826SS**  trans-109.8132.4-179.4-66.781000109
150A32.3Very low31Very low109 Ų109145.8 Ų145.890%0.90182%0.824SS**  trans-142.1135.2164.100000109.1
151D29.2Very low30.9Very low162 Ų162147.8 Ų147.887%0.86683%0.829SS**  trans-104.7145.5-171.7-163.51.8000110
152A29.3Very low30.8Very low82 Ų82143.9 Ų143.968%0.67882%0.824SS**  trans-153.4140.9174.700000111.8
153P30.1Very low30.8Very low123 Ų123143.2 Ų143.280%0.79982%0.815SS**  trans-91.5164.2-151.7-828.6000114.5
154W29.9Very low31.5Very low244 Ų244143.3 Ų143.392%0.92482%0.816SS**  trans-71.4138.2167.5-76.151.8000111.5
155D26.8Very low31.3Very low160 Ų160142.2 Ų142.286%0.85681%0.806SS**  trans-119.6125.7156.9-98.1-39.3000109.5
156P34.5Very low31Very low110 Ų110140.2 Ų140.271%0.71481%0.808SS**PPolyproline II helixtrans-86.9132179.232.9-32.3000112.1
157C29.7Very low30.9Very low125 Ų125140.7 Ų140.785%0.84581%0.811SS**PPolyproline II helixtrans-63132.7170.8-64.60000111
158P33.1Very low30.6Very low129 Ų129142.7 Ų142.784%0.83881%0.814SS**PPolyproline II helixtrans-75.8151.1178.431.2-34.7000112.2
159A28.8Very low30.8Very low91 Ų91136.9 Ų136.975%0.75281%0.807SS**  trans-107.9171.6173.500000111.7
160S31.2Very low30.9Very low112 Ų112128.1 Ų128.178%0.78380%0.797SS**  trans95.8145.5-175.3-44.40000112.6
161E27.1Very low31.1Very low197 Ų197132 Ų13292%0.92180%0.801SS**  cis-124.5-179.927-66.7-180107.500115.9
162L31.1Very low31.4Very low142 Ų142127.8 Ų127.874%0.74380%0.796SS**  trans-131.1149.2-156.3-85.6167.8000113.3
163L33.5Very low31.9Very low110 Ų110130.8 Ų130.858%0.57680%0.801SS**  trans76.7159.7140.7-73168.6000118.3H165L163-H165 VanDerWaalsContact CD1-CE1 3.47Å; L163-H165 WeakPolarHBondContact CD1-CE1 3.47Å; L163-H165 VanDerWaalsContact CD2-CE1 3.47Å; L163-H165 WeakPolarHBondContact CD2-CE1 3.25Å
164P42.6Very low32.4Very low119 Ų119129.1 Ų129.177%0.77380%0.797SS**  cis-134.3152.631.139.3-19.5000122.1
165H29.3Very low33.1Very low140 Ų140122.1 Ų122.165%0.64878%0.784SS**  trans-13.6149.4159.2-39.6-78.9000123.2L163L163-H165 VanDerWaalsContact CD1-CE1 3.47Å; L163-H165 WeakPolarHBondContact CD1-CE1 3.47Å; L163-H165 VanDerWaalsContact CD2-CE1 3.47Å; L163-H165 WeakPolarHBondContact CD2-CE1 3.25Å
166T26.5Very low34.1Very low151 Ų151122 Ų12293%0.92678%0.78SS**  -133.9167.311853.60000110.5
167S31.8Very low34.8Very low122 Ų122123.5 Ų123.585%0.85379%0.787SS**  trans-121.6162.5-154.8176.90000115.6
168S32.3Very low36.1Very low113 Ų113120.6 Ų120.679%0.7978%0.778SS**  trans110.6109.5167.3-165.50000112.7
169G30.9Very low37.3Very low76 Ų76117.8 Ų117.878%0.78477%0.766SS**  cis106.2118.235.600000108.5
170G29.7Very low38.7Very low74 Ų74119.7 Ų119.776%0.76376%0.762SS**  cis-176.7-170.5-4.100000112.2
171L35.3Very low40.4Very low190 Ų190118 Ų118100%0.99574%0.744SS**  trans65.2106168.1-155.675.7000118.1
172G35.7Very low42Very low73 Ų73112.8 Ų112.875%0.75373%0.728SS**  trans151.444.5168.600000115.6A174G172-A174 PolarHBondContact O-N 2.67Å
173D40.2Very low43.4Very low146 Ų146111.4 Ų111.478%0.78172%0.718SS**  trans-71.192.3172.2-177.218.5000110.5C175D173-C175 PolarHBondContact OD1-N 3.06Å; D173-C175 PolarHBondContact OD1-SG 3.09Å
174A41.4Very low44.4Very low87 Ų87112.9 Ų112.972%0.71973%0.725SS**  trans-102.996.2157.200000107.3G172 M176G172-A174 PolarHBondContact O-N 2.67Å; A174-M176 PolarHBondContact O-N 3.1Å
175C43.3Very low44.9Very low97 Ų97115.5 Ų115.566%0.65572%0.721SS**  trans-47.1100.7175.1-73.70000111.5D173 V177D173-C175 PolarHBondContact OD1-N 3.06Å; D173-C175 PolarHBondContact OD1-SG 3.09Å; C175-V177 HydrophobicContact CB-CG2 4.33Å; C175-V177 PolarHBondContact O-N 3.19Å
176M48Very low45.5Very low157 Ų157114.5 Ų114.577%0.77372%0.715SS**  trans-77.463.3176-164.6-172-57.700110.4A174 G178 A179A174-M176 PolarHBondContact O-N 3.1Å; M176-G178 PolarHBondContact O-N 3.37Å; M176-G178 VanDerWaalsContact O-N 3.15Å; M176-A179 HydrophobicContact CG-CB 4.46Å; M176-A179 HydrophobicContact SD-CB 4Å
177V49Very low46.4Very low142 Ų142116.2 Ų116.286%0.86171%0.71SS**THydrogen-bonded Turntrans-64.9112.3168.21790000107.3C175C175-V177 HydrophobicContact CB-CG2 4.33Å; C175-V177 PolarHBondContact O-N 3.19Å
178G57.7Low47.1Very low64 Ų64116.1 Ų116.166%0.6671%0.706SS**THydrogen-bonded Turntrans10825.2178.200000116.1M176 I180M176-G178 PolarHBondContact O-N 3.37Å; M176-G178 VanDerWaalsContact O-N 3.15Å; G178-I180 VanDerWaalsContact C-N 3.3Å; G178-I180 PolarHBondContact O-N 3.37Å
179A57.3Low47.7Very low71 Ų71118.8 Ų118.859%0.58771%0.706SS**  trans-60.895.3157.200000109.3M176 N181M176-A179 HydrophobicContact CG-CB 4.46Å; M176-A179 HydrophobicContact SD-CB 4Å; A179-N181 PolarHBondContact O-N 2.88Å
180I57.9Low48.5Very low130 Ų130120.3 Ų120.367%0.66770%0.696SS**  trans-59.6107.7173.5-65.1164.2000107.1G178 P182 Y185G178-I180 VanDerWaalsContact C-N 3.3Å; G178-I180 PolarHBondContact O-N 3.37Å; I180-P182 WeakPolarHBondContact O-CD 3.13Å; I180-Y185 HydrophobicContact CG2-CD2 3.77Å; I180-Y185 HydrophobicContact CG2-CE2 3.69Å
181N66.8Low49.4Very low76 Ų76123.6 Ų123.641%0.40669%0.69SS.*  trans-67.4112.2176.1-178.90.1000108.7A179 E183 L184A179-N181 PolarHBondContact O-N 2.88Å; N181-E183 PolarHBondContact O-N 3.32Å; N181-E183 VanDerWaalsContact OD1-CB 3.29Å; N181-E183 WeakPolarHBondContact OD1-CB 3.39Å; N181-E183 WeakPolarHBondContact OD1-CG 3.29Å; N181-E183 PolarHBondContact OD1-N 3.07Å; N181-L184 HydrophobicContact CB-CD1 4.07Å; N181-L184 HydrophobicContact CB-CG 4.15Å; N181-L184 PolarHBondContact O-N 3.24Å; N181-L184 VanDerWaalsContact O-N 3.09Å
182P62.6Low50.3Low88 Ų88116.2 Ų116.257%0.57165%0.654SS**G310 helixtrans-63.4-27-177.4-20.234.5000111.9I180 L184 Y185 K186I180-P182 WeakPolarHBondContact O-CD 3.13Å; P182-L184 PolarHBondContact O-N 2.99Å; P182-Y185 CarbonylContact O-C 3.48Å; P182-Y185 PolarHBondContact O-N 3.38Å; P182-Y185 VanDerWaalsContact O-N 3.07Å; P182-K186 PolarHBondContact O-N 2.68Å
183E59.2Low51.4Low113 Ų113115.9 Ų115.953%0.52863%0.633SS.*G310 helixtrans-63.3-27.8177.2-54.4-61.6138.200112.7N181 Y185 K186N181-E183 PolarHBondContact O-N 3.32Å; N181-E183 VanDerWaalsContact OD1-CB 3.29Å; N181-E183 WeakPolarHBondContact OD1-CB 3.39Å; N181-E183 WeakPolarHBondContact OD1-CG 3.29Å; N181-E183 PolarHBondContact OD1-N 3.07Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; E183-K186 VanDerWaalsContact OE1-CE 3.25Å; E183-K186 WeakPolarHBondContact OE1-CE 3.47Å; E183-K186 IonicContact OE1-NZ 3.9Å; E183-K186 PolarHBondContact OE1-NZ 2.95Å; E183-K186 WeakPolarHBondContact OE2-CD 3.26Å; E183-K186 VanDerWaalsContact OE2-CE 3.26Å; E183-K186 WeakPolarHBondContact OE2-CE 3.37Å; E183-K186 IonicContact OE2-NZ 3.34Å; E183-K186 PolarHBondContact OE2-NZ 3.34Å
184L54.4Low52.5Low141 Ų141113.7 Ų113.774%0.73863%0.625SS**G310 helixtrans-78.5-16175.7-67.6176.2000113.1N181 P182N181-L184 HydrophobicContact CB-CD1 4.07Å; N181-L184 HydrophobicContact CB-CG 4.15Å; N181-L184 PolarHBondContact O-N 3.24Å; N181-L184 VanDerWaalsContact O-N 3.09Å; P182-L184 PolarHBondContact O-N 2.99Å
185Y54.2Low54Low174 Ų174114.8 Ų114.868%0.68262%0.619SS**THydrogen-bonded Turntrans-107-0.8174.4-71.2-88.9000112.9I180 P182 E183 F187I180-Y185 HydrophobicContact CG2-CD2 3.77Å; I180-Y185 HydrophobicContact CG2-CE2 3.69Å; P182-Y185 CarbonylContact O-C 3.48Å; P182-Y185 PolarHBondContact O-N 3.38Å; P182-Y185 VanDerWaalsContact O-N 3.07Å; E183-Y185 VanDerWaalsContact C-N 3.31Å; Y185-F187 PolarHBondContact O-N 3.03Å
186K40.6Very low55.5Low119 Ų119112.5 Ų112.552%0.51760%0.598SS.*SBendtrans-66.5103.4156.7-69.3-175-169.4169.10106.8P182 E183P182-K186 PolarHBondContact O-N 2.68Å; E183-K186 VanDerWaalsContact OE1-CE 3.25Å; E183-K186 WeakPolarHBondContact OE1-CE 3.47Å; E183-K186 IonicContact OE1-NZ 3.9Å; E183-K186 PolarHBondContact OE1-NZ 2.95Å; E183-K186 WeakPolarHBondContact OE2-CD 3.26Å; E183-K186 VanDerWaalsContact OE2-CE 3.26Å; E183-K186 WeakPolarHBondContact OE2-CE 3.37Å; E183-K186 IonicContact OE2-NZ 3.34Å; E183-K186 PolarHBondContact OE2-NZ 3.34Å
187F45.4Very low56.8Low187 Ų187108.5 Ų108.582%0.8258%0.583SS**  trans-45.4127.1155-65.4-88.5000106.7Y185 E189Y185-F187 PolarHBondContact O-N 3.03Å; F187-E189 PolarHBondContact O-N 3.19Å
188P46.9Very low57.9Low121 Ų121110 Ų11079%0.78659%0.587SS**  trans-54120.917722.6-32.3000106.6D190P188-D190 PolarHBondContact O-N 2.92Å
189E44.7Very low58.8Low168 Ų168110.5 Ų110.579%0.78559%0.592SS**  trans-51.5114.5-178.4-68.6177151.900107F187 K191F187-E189 PolarHBondContact O-N 3.19Å; E189-K191 WeakPolarHBondContact O-CG 3.4Å; E189-K191 PolarHBondContact O-N 2.76Å
190D48.3Very low60.1Low108 Ų108108 Ų10858%0.57857%0.57SS**  trans-7189.7-175.7-177.20.2000107.6P188 S192 E193P188-D190 PolarHBondContact O-N 2.92Å; D190-S192 PolarHBondContact O-N 2.83Å; D190-S192 WeakPolarHBondContact OD1-CB 3.03Å; D190-S192 PolarHBondContact OD1-N 3.01Å; D190-S192 PolarHBondContact OD1-OG 3.33Å; D190-S192 PolarHBondContact OD2-OG 3.31Å; D190-S192 VanDerWaalsContact OD2-OG 3.08Å; D190-E193 PolarHBondContact O-N 2.91Å
191K48.4Very low61.7Low143 Ų143104.2 Ų104.262%0.62255%0.551SS**G310 helixtrans-58.2-13.6-176.5-62.2-171.4-179.7-178.30112.3E189 E193 T194 D195E189-K191 WeakPolarHBondContact O-CG 3.4Å; E189-K191 PolarHBondContact O-N 2.76Å; K191-E193 PolarHBondContact O-N 2.89Å; K191-T194 WeakPolarHBondContact CA-OG1 3.47Å; K191-T194 CarbonylContact O-C 3.24Å; K191-T194 PolarHBondContact O-N 3.35Å; K191-T194 PolarHBondContact O-OG1 3.19Å; K191-D195 PolarHBondContact O-N 2.95Å
192S54.2Low62.9Low35 Ų35100.6 Ų100.625%0.24553%0.532CS..G310 helixtrans-57.6-28.3169.777.60000113.1D190 T194 R203D190-S192 PolarHBondContact O-N 2.83Å; D190-S192 WeakPolarHBondContact OD1-CB 3.03Å; D190-S192 PolarHBondContact OD1-N 3.01Å; D190-S192 PolarHBondContact OD1-OG 3.33Å; D190-S192 PolarHBondContact OD2-OG 3.31Å; D190-S192 VanDerWaalsContact OD2-OG 3.08Å; S192-T194 VanDerWaalsContact C-N 3.3Å; S192-T194 PolarHBondContact O-N 2.91Å; S192-R203 PolarHBondContact O-NH1 2.66Å
193E59.8Low64.5Low66 Ų6696.7 Ų96.731%0.30851%0.505SS..G310 helixtrans-66.4-31.8172.4-73.1-133.1154.700112.6D190 K191 F196 R203 W205 K223D190-E193 PolarHBondContact O-N 2.91Å; K191-E193 PolarHBondContact O-N 2.89Å; E193-F196 WeakPolarHBondContact O-CE2 3.21Å; E193-F196 WeakPolarHBondContact O-CZ 3.47Å; E193-R203 PolarHBondContact O-NH1 2.79Å; E193-W205 HydrophobicContact CB-CZ2 4.46Å; E193-W205 HydrophobicContact CG-CZ2 4.36Å; E193-W205 PolarHBondContact OE1-NE1 3.42Å; E193-K223 IonicContact OE1-NZ 2.73Å; E193-K223 IonicContact OE2-NZ 2.67Å; E193-K223 PolarHBondContact OE2-NZ 2.88Å
194T63.1Low66.2Low100 Ų10091.3 Ų91.361%0.61348%0.48SS*.THydrogen-bonded Turntrans-98.4-17.4-17543.50000115.1K191 S192 F196K191-T194 WeakPolarHBondContact CA-OG1 3.47Å; K191-T194 CarbonylContact O-C 3.24Å; K191-T194 PolarHBondContact O-N 3.35Å; K191-T194 PolarHBondContact O-OG1 3.19Å; S192-T194 VanDerWaalsContact C-N 3.3Å; S192-T194 PolarHBondContact O-N 2.91Å; T194-F196 WeakPolarHBondContact O-CD2 3.45Å; T194-F196 WeakPolarHBondContact O-CE2 3.09Å; T194-F196 PolarHBondContact O-N 2.93Å
195D71.8Confident68.3Low111 Ų11184.8 Ų84.859%0.59445%0.446SS*.  trans-80.9107.6174.5-73.6-27.3000110.1K191 R203K191-D195 PolarHBondContact O-N 2.95Å; D195-R203 PolarHBondContact O-NH1 2.71Å; D195-R203 PolarHBondContact O-NH2 2.77Å
196F75.9Confident70.3Confident48 Ų4876.5 Ų76.521%0.21141%0.414CS..  trans-106.3122.7174.2-63.3-94.4000109.1E193 T194 C200 R203 Q225 H226E193-F196 WeakPolarHBondContact O-CE2 3.21Å; E193-F196 WeakPolarHBondContact O-CZ 3.47Å; T194-F196 WeakPolarHBondContact O-CD2 3.45Å; T194-F196 WeakPolarHBondContact O-CE2 3.09Å; T194-F196 PolarHBondContact O-N 2.93Å; F196-C200 HydrophobicContact CB-CB 4.39Å; F196-R203 HydrophobicContact CD1-CB 4.48Å; F196-R203 HydrophobicContact CE1-CB 3.81Å; F196-Q225 HydrophobicContact CE1-CB 4.48Å; F196-Q225 HydrophobicContact CZ-CB 4.24Å; F196-H226 HydrophobicContact CD1-CB 4.14Å; F196-H226 AromaticContact CD1-ND1 3.55Å; F196-H226 AromaticContact CD2-CE1 3.47Å; F196-H226 VanDerWaalsContact CD2-CE1 3.47Å; F196-H226 WeakPolarHBondContact CD2-CE1 3.43Å; F196-H226 AromaticContact CD2-ND1 3.12Å; F196-H226 WeakPolarHBondContact CD2-ND1 3.39Å; F196-H226 HydrophobicContact CE1-CB 4.01Å; F196-H226 AromaticContact CE1-CG 3.93Å; F196-H226 AromaticContact CE1-ND1 3.49Å; F196-H226 WeakPolarHBondContact CE1-ND1 3.41Å; F196-H226 AromaticContact CE2-CE1 3.21Å; F196-H226 WeakPolarHBondContact CE2-CE1 3.11Å; F196-H226 AromaticContact CE2-ND1 3.09Å; F196-H226 WeakPolarHBondContact CE2-ND1 3.49Å; F196-H226 AromaticContact CG-ND1 3.38Å; F196-H226 WeakPolarHBondContact CG-ND1 3.15Å; F196-H226 HydrophobicContact CZ-CB 4.49Å; F196-H226 AromaticContact CZ-CE1 3.7Å; F196-H226 AromaticContact CZ-CG 3.93Å; F196-H226 AromaticContact CZ-ND1 3.28Å; F196-H226 VanDerWaalsContact CZ-ND1 3.28Å; F196-H226 WeakPolarHBondContact CZ-ND1 3.4Å
197P75.1Confident72.9Confident73 Ų7371 Ų7147%0.47439%0.39SS..  trans-67.8154.4179.127.5-33.8000111.7G199 C200P197-G199 PolarHBondContact O-N 3.46Å; P197-C200 HydrophobicContact CG-CB 4.15Å; P197-C200 WeakPolarHBondContact O-CB 3.28Å; P197-C200 PolarHBondContact O-N 3.24Å
198D71.7Confident75.3Confident173 Ų17362.2 Ų62.293%0.92535%0.351SS*.THydrogen-bonded Turntrans-55.2132.6175.8-71.3-45.7000111.4C200D198-C200 VanDerWaalsContact C-N 3.31Å; D198-C200 PolarHBondContact O-N 2.96Å
199G76.3Confident77.5Confident75 Ų7559 Ų5977%0.77333%0.326SS*.THydrogen-bonded Turntrans75.810-175.800000115.4P197 L201P197-G199 PolarHBondContact O-N 3.46Å; G199-L201 PolarHBondContact O-N 2.9Å
200C84.9Confident79.8Confident20 Ų2052 Ų5214%0.13529%0.293CS..  trans-56.7127.9173-174.20000111.6F196 P197 D198 G202 Q228F196-C200 HydrophobicContact CB-CB 4.39Å; P197-C200 HydrophobicContact CG-CB 4.15Å; P197-C200 WeakPolarHBondContact O-CB 3.28Å; P197-C200 PolarHBondContact O-N 3.24Å; D198-C200 VanDerWaalsContact C-N 3.31Å; D198-C200 PolarHBondContact O-N 2.96Å; C200-G202 PolarHBondContact O-N 2.93Å; C200-G202 PolarHBondContact SG-N 3.46Å; C200-G202 VanDerWaalsContact SG-N 3.36Å; C200-G202 PolarHBondContact SG-O 2.97Å; C200-G202 VanDerWaalsContact SG-O 3.38Å; C200-Q228 VanDerWaalsContact O-CG 3.3Å; C200-Q228 WeakPolarHBondContact O-CG 3.48Å
201L90.9Very high81.9Confident49 Ų4950.7 Ų50.726%0.25728%0.283SS..  trans-80.42.1176.8-57.7172.9000112.9G199 Q228 L321 A323G199-L201 PolarHBondContact O-N 2.9Å; L201-Q228 PolarHBondContact O-N 2.71Å; L201-L321 HydrophobicContact CB-CB 3.86Å; L201-A323 HydrophobicContact CD1-CB 3.93Å; L201-A323 VanDerWaalsContact CD1-N 3.32Å
202G93Very high83.9Confident0 Ų050 Ų500%028%0.282CS..  trans115173.8-173.500000112.2C200 Q225 H226 L321C200-G202 PolarHBondContact O-N 2.93Å; C200-G202 PolarHBondContact SG-N 3.46Å; C200-G202 VanDerWaalsContact SG-N 3.36Å; C200-G202 PolarHBondContact SG-O 2.97Å; C200-G202 VanDerWaalsContact SG-O 3.38Å; G202-Q225 CarbonylContact C-O 3.32Å; G202-Q225 WeakPolarHBondContact CA-O 3.47Å; G202-H226 WeakPolarHBondContact CA-O 3.43Å; G202-H226 PolarHBondContact N-O 3.12Å; G202-L321 VanDerWaalsContact C-CD1 3.45Å; G202-L321 VanDerWaalsContact O-CD1 3.24Å; G202-L321 WeakPolarHBondContact O-CD1 3.49Å; G202-L321 PolarHBondContact O-N 3.41Å
203R94.8Very high85.7Confident6 Ų658.1 Ų58.12%0.02332%0.316CS..EExtended strand (participates in β ladder)trans-125.2143.7179.5-175.6173.7-70.1160.2-7.4110.7S192 E193 D195 F196 W205 A224 Q225 W318 D320S192-R203 PolarHBondContact O-NH1 2.66Å; E193-R203 PolarHBondContact O-NH1 2.79Å; D195-R203 PolarHBondContact O-NH1 2.71Å; D195-R203 PolarHBondContact O-NH2 2.77Å; F196-R203 HydrophobicContact CD1-CB 4.48Å; F196-R203 HydrophobicContact CE1-CB 3.81Å; R203-W205 HydrophobicContact CB-CE3 4.37Å; R203-W205 HydrophobicContact CB-CH2 3.78Å; R203-W205 HydrophobicContact CB-CZ3 3.56Å; R203-W205 HydrophobicContact CG-CD2 4.46Å; R203-W205 HydrophobicContact CG-CE3 4Å; R203-W205 HydrophobicContact CG-CH2 3.56Å; R203-W205 HydrophobicContact CG-CZ2 4.06Å; R203-W205 HydrophobicContact CG-CZ3 3.52Å; R203-W205 WeakPolarHBondContact O-CZ3 3.38Å; R203-A224 CarbonylContact O-C 3.46Å; R203-A224 WeakPolarHBondContact O-CA 3.41Å; R203-A224 WeakPolarHBondContact O-CB 3.17Å; R203-Q225 PolarHBondContact N-O 2.81Å; R203-Q225 PolarHBondContact O-N 3.25Å; R203-W318 HydrophobicContact CG-CB 4.28Å; R203-W318 HydrophobicContact CG-CE3 4.32Å; R203-D320 IonicContact CZ-OD1 2.68Å; R203-D320 IonicContact NE-OD1 3.87Å; R203-D320 PolarHBondContact NE-OD1 3.08Å; R203-D320 IonicContact NH2-OD1 2.77Å; R203-D320 PolarHBondContact NH2-OD1 3.43Å; R203-D320 VanDerWaalsContact NH2-OD1 3.12Å; R203-D320 IonicContact NH2-OD2 3.8Å
204L96.7Very high87.3Confident0 Ų056.8 Ų56.80%032%0.316CS..EExtended strand (participates in β ladder)trans-119.4130.8-179.1-172.868.9000110.5F206 L221 A224 F283 V300 W318 R319 L321L204-F206 HydrophobicContact CD2-CD1 4.42Å; L204-F206 HydrophobicContact CG-CD1 4.41Å; L204-L221 HydrophobicContact CD1-CD1 3.91Å; L204-A224 HydrophobicContact CD1-CB 3.87Å; L204-F283 HydrophobicContact CD2-CB 3.55Å; L204-F283 HydrophobicContact CD2-CD1 3.75Å; L204-F283 HydrophobicContact CD2-CD2 4.06Å; L204-F283 HydrophobicContact CD2-CE1 4.43Å; L204-F283 HydrophobicContact CD2-CG 3.53Å; L204-V300 HydrophobicContact CB-CG2 4.2Å; L204-V300 HydrophobicContact CD2-CG2 4.2Å; L204-W318 CarbonylContact O-C 3.6Å; L204-W318 VanDerWaalsContact O-CA 3.27Å; L204-W318 WeakPolarHBondContact O-CA 3.02Å; L204-R319 PolarHBondContact N-O 3.17Å; L204-R319 PolarHBondContact O-N 3.05Å; L204-L321 HydrophobicContact CB-CD1 4.11Å
205W96.9Very high88.8Confident5 Ų555 Ų552%0.01930%0.301CS..EExtended strand (participates in β ladder)trans-108130.4172.8-71.6-112.7000109.9E193 R203 I222 K223 Q225 I317 W318E193-W205 HydrophobicContact CB-CZ2 4.46Å; E193-W205 HydrophobicContact CG-CZ2 4.36Å; E193-W205 PolarHBondContact OE1-NE1 3.42Å; R203-W205 HydrophobicContact CB-CE3 4.37Å; R203-W205 HydrophobicContact CB-CH2 3.78Å; R203-W205 HydrophobicContact CB-CZ3 3.56Å; R203-W205 HydrophobicContact CG-CD2 4.46Å; R203-W205 HydrophobicContact CG-CE3 4Å; R203-W205 HydrophobicContact CG-CH2 3.56Å; R203-W205 HydrophobicContact CG-CZ2 4.06Å; R203-W205 HydrophobicContact CG-CZ3 3.52Å; R203-W205 WeakPolarHBondContact O-CZ3 3.38Å; W205-I222 HydrophobicContact CB-CB 4.22Å; W205-I222 PolarHBondContact O-N 2.76Å; W205-K223 HydrophobicContact CB-CG 3.72Å; W205-K223 HydrophobicContact CD2-CD 4.14Å; W205-K223 HydrophobicContact CD2-CG 3.78Å; W205-K223 HydrophobicContact CE3-CD 4.28Å; W205-K223 HydrophobicContact CE3-CG 3.75Å; W205-K223 HydrophobicContact CG-CD 4.31Å; W205-K223 VanDerWaalsContact CG-CE 3.5Å; W205-K223 HydrophobicContact CG-CG 3.78Å; W205-K223 PolarHBondContact N-O 3.44Å; W205-K223 PolarHBondContact O-N 3.06Å; W205-Q225 HydrophobicContact CH2-CB 3.96Å; W205-Q225 HydrophobicContact CH2-CG 3.95Å; W205-Q225 HydrophobicContact CZ3-CB 3.7Å; W205-Q225 HydrophobicContact CZ3-CG 3.73Å; W205-I317 WeakPolarHBondContact CA-O 3.12Å; W205-W318 HydrophobicContact CD2-CB 4.02Å; W205-W318 HydrophobicContact CG-CB 3.98Å
206F97.4Very high89.9Confident0 Ų054.8 Ų54.80%029%0.292CS..EExtended strand (participates in β ladder)trans-145.3162.3176.659.3-84.7000109.9L204 V208 G220 F283 V300 F302 I317 R319L204-F206 HydrophobicContact CD2-CD1 4.42Å; L204-F206 HydrophobicContact CG-CD1 4.41Å; F206-V208 HydrophobicContact CD2-CG1 3.98Å; F206-V208 HydrophobicContact CE2-CG1 4Å; F206-G220 CarbonylContact C-O 3.56Å; F206-G220 WeakPolarHBondContact CA-O 3.34Å; F206-G220 WeakPolarHBondContact CB-O 3.32Å; F206-F283 HydrophobicContact CB-CE1 4.08Å; F206-F283 HydrophobicContact CB-CE2 4.42Å; F206-F283 HydrophobicContact CB-CZ 3.66Å; F206-F283 HydrophobicContact CD1-CD2 4.44Å; F206-F283 AromaticContact CD1-CE2 3.76Å; F206-F283 HydrophobicContact CD1-CE2 3.76Å; F206-F283 AromaticContact CD1-CZ 3.87Å; F206-F283 HydrophobicContact CD1-CZ 3.87Å; F206-F283 AromaticContact CD2-CE2 3.75Å; F206-F283 HydrophobicContact CD2-CE2 3.75Å; F206-F283 AromaticContact CD2-CZ 3.56Å; F206-F283 HydrophobicContact CD2-CZ 3.56Å; F206-F283 HydrophobicContact CE1-CD2 4.46Å; F206-F283 AromaticContact CE1-CE2 3.88Å; F206-F283 HydrophobicContact CE1-CE2 3.88Å; F206-F283 HydrophobicContact CE1-CZ 4.43Å; F206-F283 AromaticContact CE2-CE2 3.86Å; F206-F283 HydrophobicContact CE2-CE2 3.86Å; F206-F283 HydrophobicContact CE2-CZ 4.15Å; F206-F283 HydrophobicContact CG-CE1 4.24Å; F206-F283 AromaticContact CG-CE2 3.7Å; F206-F283 HydrophobicContact CG-CE2 3.7Å; F206-F283 AromaticContact CG-CZ 3.4Å; F206-F283 HydrophobicContact CG-CZ 3.4Å; F206-F283 VanDerWaalsContact CG-CZ 3.4Å; F206-F283 AromaticContact CZ-CE2 3.93Å; F206-F283 HydrophobicContact CZ-CE2 3.93Å; F206-V300 HydrophobicContact CE1-CG1 4.16Å; F206-F302 HydrophobicContact CE2-CB 4.32Å; F206-F302 HydrophobicContact CE2-CD1 4.06Å; F206-F302 HydrophobicContact CE2-CD2 4.31Å; F206-F302 AromaticContact CE2-CG 3.95Å; F206-F302 HydrophobicContact CE2-CG 3.95Å; F206-F302 HydrophobicContact CZ-CB 3.97Å; F206-F302 HydrophobicContact CZ-CD1 4.39Å; F206-F302 AromaticContact CZ-CD2 3.89Å; F206-F302 HydrophobicContact CZ-CD2 3.89Å; F206-F302 AromaticContact CZ-CG 3.8Å; F206-F302 HydrophobicContact CZ-CG 3.8Å; F206-I317 HydrophobicContact CE1-CG2 4.45Å; F206-I317 HydrophobicContact CE2-CB 4.13Å; F206-I317 HydrophobicContact CE2-CD1 4.48Å; F206-I317 HydrophobicContact CE2-CG2 4.4Å; F206-I317 HydrophobicContact CZ-CB 4.13Å; F206-I317 HydrophobicContact CZ-CG2 3.96Å; F206-I317 PolarHBondContact N-O 3.19Å; F206-I317 PolarHBondContact O-N 3.48Å; F206-R319 HydrophobicContact CE1-CB 4.39Å; F206-R319 HydrophobicContact CE1-CG 4.14Å; F206-R319 HydrophobicContact CZ-CG 4.35Å
207S95.6Very high90.8Very high3 Ų352.5 Ų52.52%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-117144.6170.662.20000111.2V219 G220 R314 R315S207-V219 WeakPolarHBondContact O-CA 3.23Å; S207-G220 PolarHBondContact N-O 3.17Å; S207-G220 PolarHBondContact O-N 2.74Å; S207-G220 WeakPolarHBondContact OG-CA 3.27Å; S207-G220 PolarHBondContact OG-N 3.24Å; S207-R314 PolarHBondContact OG-NE 3.09Å; S207-R314 PolarHBondContact OG-NH2 3.1Å; S207-R314 VanDerWaalsContact OG-NH2 3.17Å; S207-R315 CarbonylContact C-O 3.52Å; S207-R315 WeakPolarHBondContact CA-O 3.48Å; S207-R315 WeakPolarHBondContact CB-O 3.43Å
208V95.1Very high91.8Very high2 Ų250.7 Ų50.71%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-122144.1172.4-65.40000110.5F206 L281 F302 L304 L309 R315 I317F206-V208 HydrophobicContact CD2-CG1 3.98Å; F206-V208 HydrophobicContact CE2-CG1 4Å; V208-L281 HydrophobicContact CG1-CD2 3.87Å; V208-F302 HydrophobicContact CG1-CD1 4.46Å; V208-F302 HydrophobicContact CG1-CE1 4.35Å; V208-F302 HydrophobicContact CG2-CE1 4.15Å; V208-L304 HydrophobicContact CG1-CD2 4.31Å; V208-L309 HydrophobicContact CG2-CD2 4.42Å; V208-R315 PolarHBondContact N-O 2.88Å; V208-R315 PolarHBondContact O-N 2.99Å; V208-I317 HydrophobicContact CG2-CD1 3.78Å
209E93.3Very high93Very high53 Ų5342.4 Ų42.425%0.24822%0.224CC..EExtended strand (participates in β ladder)trans-156.5140.8179.5-178.3164.8-135.800107.7L218 R314E209-L218 HydrophobicContact CB-CB 4.21Å; E209-L218 HydrophobicContact CG-CD1 4.33Å; E209-L218 PolarHBondContact N-O 3.04Å; E209-L218 VanDerWaalsContact N-O 3.12Å; E209-L218 PolarHBondContact O-N 2.87Å; E209-R314 HydrophobicContact CB-CB 4.47Å; E209-R314 PolarHBondContact OE1-N 3.05Å; E209-R314 WeakPolarHBondContact OE2-CB 3.42Å
210Y93.3Very high94Very high23 Ų2338.9 Ų38.99%0.0919%0.187CC..EExtended strand (participates in β ladder)trans-127.6108.7-176.5-178.3-105.5000110.9Q212 E215 R216 L217 V271 S273 I276 L309Y210-Q212 HydrophobicContact CD1-CB 4.28Å; Y210-Q212 HydrophobicContact CE1-CB 3.9Å; Y210-Q212 HydrophobicContact CE1-CG 4.33Å; Y210-Q212 PolarHBondContact O-N 2.77Å; Y210-E215 WeakPolarHBondContact OH-CA 3.26Å; Y210-R216 CarbonylContact C-O 3.49Å; Y210-R216 WeakPolarHBondContact CA-O 3.46Å; Y210-R216 VanDerWaalsContact CD2-O 3.29Å; Y210-R216 WeakPolarHBondContact CD2-O 3.48Å; Y210-L217 HydrophobicContact CD2-CB 4.14Å; Y210-L217 HydrophobicContact CD2-CD1 4.49Å; Y210-V271 HydrophobicContact CE2-CG1 4.1Å; Y210-V271 PolarHBondContact OH-O 3.02Å; Y210-V271 VanDerWaalsContact OH-O 3.05Å; Y210-S273 WeakPolarHBondContact OH-CA 3.35Å; Y210-S273 PolarHBondContact OH-N 3.01Å; Y210-I276 HydrophobicContact CD2-CD1 4.29Å; Y210-I276 HydrophobicContact CD2-CG1 3.89Å; Y210-I276 HydrophobicContact CE1-CG2 4.22Å; Y210-I276 HydrophobicContact CE2-CB 4.27Å; Y210-I276 HydrophobicContact CE2-CD1 4.42Å; Y210-I276 HydrophobicContact CE2-CG1 4.02Å; Y210-I276 HydrophobicContact CG-CG1 4.31Å; Y210-L309 HydrophobicContact CG-CD1 4.41Å
211E92.2Very high94.6Very high79 Ų7938 Ų3837%0.36918%0.181SC..EExtended strand (participates in β ladder)trans-78.296173.8-63.7177.2158.200108.5E213 A214 E215 R216 L218E211-E213 VanDerWaalsContact C-N 3.32Å; E211-E213 PolarHBondContact O-N 3.17Å; E211-A214 HydrophobicContact CB-CB 4.05Å; E211-A214 PolarHBondContact O-N 3.35Å; E211-E215 PolarHBondContact O-N 3.48Å; E211-R216 HydrophobicContact CB-CB 4.41Å; E211-R216 PolarHBondContact N-O 2.98Å; E211-R216 PolarHBondContact O-N 2.91Å; E211-R216 VanDerWaalsContact O-N 3.11Å; E211-L218 HydrophobicContact CG-CD1 4.15Å; E211-L218 HydrophobicContact CG-CG 4.38Å
212Q90.3Very high95Very high130 Ų13037.1 Ų37.161%0.60718%0.176SC*.THydrogen-bonded Turntrans-61.6-39.6-177.5179170.9-27.400112.5Y210 E215Y210-Q212 HydrophobicContact CD1-CB 4.28Å; Y210-Q212 HydrophobicContact CE1-CB 3.9Å; Y210-Q212 HydrophobicContact CE1-CG 4.33Å; Y210-Q212 PolarHBondContact O-N 2.77Å; Q212-E215 PolarHBondContact O-N 2.84Å
213E91.2Very high95.2Very high205 Ų20538.7 Ų38.796%0.95818%0.183SC*.THydrogen-bonded Turntrans-66.2-37.3-178.4-58.3-177.8159.200112.7E211E211-E213 VanDerWaalsContact C-N 3.32Å; E211-E213 PolarHBondContact O-N 3.17Å
214A93.6Very high95.2Very high37 Ų3738.4 Ų38.431%0.30618%0.182SC..THydrogen-bonded Turntrans-88.7-5.6178.300000113.5E211 R216 Q270E211-A214 HydrophobicContact CB-CB 4.05Å; E211-A214 PolarHBondContact O-N 3.35Å; A214-R216 VanDerWaalsContact C-N 3.35Å; A214-R216 HydrophobicContact CB-CB 4.37Å; A214-R216 HydrophobicContact CB-CG 4.25Å; A214-R216 PolarHBondContact O-N 3.25Å; A214-Q270 PolarHBondContact O-NE2 3.41Å
215E94.1Very high95.1Very high64 Ų6440.7 Ų40.730%0.29919%0.193SC..THydrogen-bonded Turntrans48.848.8-168.3-63.3-153.5122.400113.5Y210 E211 Q212 Q270 V271 S272 S273Y210-E215 WeakPolarHBondContact OH-CA 3.26Å; E211-E215 PolarHBondContact O-N 3.48Å; Q212-E215 PolarHBondContact O-N 2.84Å; E215-Q270 PolarHBondContact O-NE2 3.02Å; E215-V271 CarbonylContact C-O 3.53Å; E215-V271 PolarHBondContact O-N 2.78Å; E215-V271 VanDerWaalsContact O-O 3.07Å; E215-S272 VanDerWaalsContact CD-CA 3.47Å; E215-S272 WeakPolarHBondContact OE1-CA 3.47Å; E215-S272 VanDerWaalsContact OE1-CB 3.24Å; E215-S272 WeakPolarHBondContact OE1-CB 3.2Å; E215-S272 PolarHBondContact OE1-OG 3.39Å; E215-S272 WeakPolarHBondContact OE2-CB 3.49Å; E215-S273 PolarHBondContact OE1-N 2.84Å; E215-S273 PolarHBondContact OE1-OG 3.47Å; E215-S273 VanDerWaalsContact OE1-OG 3.1Å
216R94.8Very high94.8Very high106 Ų10644.5 Ų44.540%0.421%0.21SC..EExtended strand (participates in β ladder)trans-127.1130.4-174.6-76170.4-172.1169.37.3112.8Y210 E211 A214 I268 F269Y210-R216 CarbonylContact C-O 3.49Å; Y210-R216 WeakPolarHBondContact CA-O 3.46Å; Y210-R216 VanDerWaalsContact CD2-O 3.29Å; Y210-R216 WeakPolarHBondContact CD2-O 3.48Å; E211-R216 HydrophobicContact CB-CB 4.41Å; E211-R216 PolarHBondContact N-O 2.98Å; E211-R216 PolarHBondContact O-N 2.91Å; E211-R216 VanDerWaalsContact O-N 3.11Å; A214-R216 VanDerWaalsContact C-N 3.35Å; A214-R216 HydrophobicContact CB-CB 4.37Å; A214-R216 HydrophobicContact CB-CG 4.25Å; A214-R216 PolarHBondContact O-N 3.25Å; R216-I268 HydrophobicContact CB-CG2 4.05Å; R216-I268 HydrophobicContact CG-CG2 3.91Å; R216-F269 WeakPolarHBondContact CA-O 3.49Å
217L95.1Very high94.6Very high0 Ų044.7 Ų44.70%021%0.212CC..EExtended strand (participates in β ladder)trans-92.6115.1166.1178.476.3000109Y210 V219 L242 I268 F269 V271 I276 L304 L309Y210-L217 HydrophobicContact CD2-CB 4.14Å; Y210-L217 HydrophobicContact CD2-CD1 4.49Å; L217-V219 HydrophobicContact CD2-CG2 3.89Å; L217-V219 HydrophobicContact CG-CG2 3.93Å; L217-L242 HydrophobicContact CD2-CD1 3.96Å; L217-I268 WeakPolarHBondContact O-CA 3.39Å; L217-F269 HydrophobicContact CB-CB 4.36Å; L217-F269 HydrophobicContact CD2-CD2 4.29Å; L217-F269 PolarHBondContact N-O 2.78Å; L217-F269 PolarHBondContact O-N 2.86Å; L217-V271 HydrophobicContact CB-CG1 3.85Å; L217-I276 HydrophobicContact CB-CD1 4.35Å; L217-I276 HydrophobicContact CD1-CD1 4.35Å; L217-I276 HydrophobicContact CD2-CD1 4.35Å; L217-L304 HydrophobicContact CD1-CD1 4.23Å; L217-L304 HydrophobicContact CD1-CD2 4.26Å; L217-L304 HydrophobicContact CD2-CD1 3.53Å; L217-L309 HydrophobicContact CD1-CD2 4.36Å
218L95.8Very high94.2Very high34 Ų3450.3 Ų50.318%0.17824%0.237CC..EExtended strand (participates in β ladder)trans-87.1130.4169.8-51.8179.7000109.2E209 E211 I268E209-L218 HydrophobicContact CB-CB 4.21Å; E209-L218 HydrophobicContact CG-CD1 4.33Å; E209-L218 PolarHBondContact N-O 3.04Å; E209-L218 VanDerWaalsContact N-O 3.12Å; E209-L218 PolarHBondContact O-N 2.87Å; E211-L218 HydrophobicContact CG-CD1 4.15Å; E211-L218 HydrophobicContact CG-CG 4.38Å; L218-I268 HydrophobicContact CD2-CB 4.49Å; L218-I268 HydrophobicContact CD2-CD1 3.92Å; L218-I268 HydrophobicContact CD2-CG1 3.76Å; L218-I268 HydrophobicContact CD2-CG2 4.21Å
219V97.4Very high93.5Very high0 Ų051.5 Ų51.50%025%0.247CC..EExtended strand (participates in β ladder)trans-126.6116176.7-175.90000109.3S207 L217 L240 F267 F269 L281 F283S207-V219 WeakPolarHBondContact O-CA 3.23Å; L217-V219 HydrophobicContact CD2-CG2 3.89Å; L217-V219 HydrophobicContact CG-CG2 3.93Å; V219-L240 HydrophobicContact CB-CD2 4.34Å; V219-L240 HydrophobicContact CG1-CD2 3.75Å; V219-F267 HydrophobicContact CB-CB 4.4Å; V219-F267 PolarHBondContact N-O 3.25Å; V219-F267 PolarHBondContact O-N 3.37Å; V219-F269 HydrophobicContact CG2-CD2 4.13Å; V219-F269 HydrophobicContact CG2-CE2 4.2Å; V219-L281 HydrophobicContact CG1-CD2 3.87Å; V219-L281 HydrophobicContact CG2-CD1 4.1Å; V219-L281 HydrophobicContact CG2-CD2 3.76Å; V219-F283 HydrophobicContact CG1-CE1 4.03Å; V219-F283 HydrophobicContact CG1-CZ 3.82Å
220G97.6Very high92.7Very high1 Ų153.4 Ų53.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-96.5116172.600000110.2F206 S207F206-G220 CarbonylContact C-O 3.56Å; F206-G220 WeakPolarHBondContact CA-O 3.34Å; F206-G220 WeakPolarHBondContact CB-O 3.32Å; S207-G220 PolarHBondContact N-O 3.17Å; S207-G220 PolarHBondContact O-N 2.74Å; S207-G220 WeakPolarHBondContact OG-CA 3.27Å; S207-G220 PolarHBondContact OG-N 3.24Å
221L98.3Very high91.7Very high1 Ų155.3 Ų55.31%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-85.9109.4170.9-177.470.5000108.4L204 V238 F263 D264 E265 F267 F283L204-L221 HydrophobicContact CD1-CD1 3.91Å; L221-V238 HydrophobicContact CD1-CB 4.39Å; L221-V238 HydrophobicContact CD1-CG1 4.17Å; L221-V238 HydrophobicContact CD1-CG2 4.28Å; L221-V238 HydrophobicContact CD2-CB 3.83Å; L221-V238 HydrophobicContact CD2-CG1 4.38Å; L221-V238 HydrophobicContact CD2-CG2 3.97Å; L221-F263 HydrophobicContact CB-CB 4.38Å; L221-F263 HydrophobicContact CD1-CD2 4.44Å; L221-F263 HydrophobicContact CD2-CB 3.76Å; L221-F263 HydrophobicContact CD2-CD1 3.79Å; L221-F263 HydrophobicContact CD2-CD2 3.94Å; L221-F263 HydrophobicContact CD2-CE1 4.4Å; L221-F263 HydrophobicContact CD2-CE2 4.5Å; L221-F263 HydrophobicContact CD2-CG 3.55Å; L221-F263 HydrophobicContact CG-CB 3.74Å; L221-F263 HydrophobicContact CG-CD2 3.91Å; L221-F263 HydrophobicContact CG-CG 3.82Å; L221-F263 WeakPolarHBondContact O-CB 3.41Å; L221-D264 WeakPolarHBondContact O-CA 3.44Å; L221-D264 PolarHBondContact O-N 3Å; L221-E265 PolarHBondContact N-O 3.34Å; L221-E265 PolarHBondContact O-N 3.31Å; L221-F267 HydrophobicContact CB-CD2 4.26Å; L221-F267 HydrophobicContact CB-CE2 3.78Å; L221-F267 HydrophobicContact CD2-CE2 4.09Å; L221-F283 HydrophobicContact CD1-CD1 4.18Å; L221-F283 HydrophobicContact CD1-CE1 4.14Å
222I97.8Very high90.7Very high31 Ų3161.2 Ų61.216%0.15931%0.309CS..EExtended strand (participates in β ladder)trans-93.2-79.2-169.5-55.2166.6000109.7W205 F263 D264 V316W205-I222 HydrophobicContact CB-CB 4.22Å; W205-I222 PolarHBondContact O-N 2.76Å; I222-F263 WeakPolarHBondContact O-CA 3.39Å; I222-F263 WeakPolarHBondContact O-CB 3.44Å; I222-F263 PolarHBondContact O-N 2.8Å; I222-D264 PolarHBondContact O-N 3.36Å; I222-D264 VanDerWaalsContact O-N 3.17Å; I222-V316 HydrophobicContact CD1-CG1 3.81Å; I222-V316 HydrophobicContact CD1-CG2 4.08Å
223K97Very high90.2Very high33 Ų3357.6 Ų57.614%0.14330%0.296CS..EExtended strand (participates in β ladder)trans-139.6159.2-174.964.8177.2-175.9178.60111.2E193 W205 P261E193-K223 IonicContact OE1-NZ 2.73Å; E193-K223 IonicContact OE2-NZ 2.67Å; E193-K223 PolarHBondContact OE2-NZ 2.88Å; W205-K223 HydrophobicContact CB-CG 3.72Å; W205-K223 HydrophobicContact CD2-CD 4.14Å; W205-K223 HydrophobicContact CD2-CG 3.78Å; W205-K223 HydrophobicContact CE3-CD 4.28Å; W205-K223 HydrophobicContact CE3-CG 3.75Å; W205-K223 HydrophobicContact CG-CD 4.31Å; W205-K223 VanDerWaalsContact CG-CE 3.5Å; W205-K223 HydrophobicContact CG-CG 3.78Å; W205-K223 PolarHBondContact N-O 3.44Å; W205-K223 PolarHBondContact O-N 3.06Å; K223-P261 CarbonylContact C-O 3.32Å; K223-P261 VanDerWaalsContact CA-O 3.32Å; K223-P261 WeakPolarHBondContact CA-O 3.25Å
224A96.4Very high90Very high0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-125.8155.415700000109.8R203 L204 L227 N260 P261 F263R203-A224 CarbonylContact O-C 3.46Å; R203-A224 WeakPolarHBondContact O-CA 3.41Å; R203-A224 WeakPolarHBondContact O-CB 3.17Å; L204-A224 HydrophobicContact CD1-CB 3.87Å; A224-L227 HydrophobicContact CB-CD1 3.99Å; A224-L227 HydrophobicContact CB-CD2 4.02Å; A224-L227 HydrophobicContact CB-CG 4.04Å; A224-N260 CarbonylContact O-C 3.58Å; A224-N260 VanDerWaalsContact O-C 3.32Å; A224-N260 VanDerWaalsContact O-CA 3.27Å; A224-N260 WeakPolarHBondContact O-CA 3.24Å; A224-P261 HydrophobicContact CB-CG 3.82Å; A224-P261 PolarHBondContact N-O 2.94Å; A224-P261 WeakPolarHBondContact O-CD 3.46Å; A224-F263 HydrophobicContact CB-CE2 4.29Å
225Q94.1Very high90Very high47 Ų4747.4 Ų47.422%0.2225%0.245CC..EExtended strand (participates in β ladder)trans-135.4154.4176.7-65.7-177.3-31.200111.3F196 G202 R203 W205 L227 N260F196-Q225 HydrophobicContact CE1-CB 4.48Å; F196-Q225 HydrophobicContact CZ-CB 4.24Å; G202-Q225 CarbonylContact C-O 3.32Å; G202-Q225 WeakPolarHBondContact CA-O 3.47Å; R203-Q225 PolarHBondContact N-O 2.81Å; R203-Q225 PolarHBondContact O-N 3.25Å; W205-Q225 HydrophobicContact CH2-CB 3.96Å; W205-Q225 HydrophobicContact CH2-CG 3.95Å; W205-Q225 HydrophobicContact CZ3-CB 3.7Å; W205-Q225 HydrophobicContact CZ3-CG 3.73Å; Q225-L227 PolarHBondContact O-N 2.71Å; Q225-N260 VanDerWaalsContact CA-OD1 3.23Å; Q225-N260 WeakPolarHBondContact CA-OD1 3.48Å
226H91.2Very high90.1Very high85 Ų8544.3 Ų44.339%0.39423%0.23SC..SBendtrans52.435.6176.5-62.2171.6000114F196 G202 Q228 S259 N260F196-H226 HydrophobicContact CD1-CB 4.14Å; F196-H226 AromaticContact CD1-ND1 3.55Å; F196-H226 AromaticContact CD2-CE1 3.47Å; F196-H226 VanDerWaalsContact CD2-CE1 3.47Å; F196-H226 WeakPolarHBondContact CD2-CE1 3.43Å; F196-H226 AromaticContact CD2-ND1 3.12Å; F196-H226 WeakPolarHBondContact CD2-ND1 3.39Å; F196-H226 HydrophobicContact CE1-CB 4.01Å; F196-H226 AromaticContact CE1-CG 3.93Å; F196-H226 AromaticContact CE1-ND1 3.49Å; F196-H226 WeakPolarHBondContact CE1-ND1 3.41Å; F196-H226 AromaticContact CE2-CE1 3.21Å; F196-H226 WeakPolarHBondContact CE2-CE1 3.11Å; F196-H226 AromaticContact CE2-ND1 3.09Å; F196-H226 WeakPolarHBondContact CE2-ND1 3.49Å; F196-H226 AromaticContact CG-ND1 3.38Å; F196-H226 WeakPolarHBondContact CG-ND1 3.15Å; F196-H226 HydrophobicContact CZ-CB 4.49Å; F196-H226 AromaticContact CZ-CE1 3.7Å; F196-H226 AromaticContact CZ-CG 3.93Å; F196-H226 AromaticContact CZ-ND1 3.28Å; F196-H226 VanDerWaalsContact CZ-ND1 3.28Å; F196-H226 WeakPolarHBondContact CZ-ND1 3.4Å; G202-H226 WeakPolarHBondContact CA-O 3.43Å; G202-H226 PolarHBondContact N-O 3.12Å; H226-Q228 PolarHBondContact O-N 3.23Å; H226-S259 PolarHBondContact N-O 3.36Å; H226-N260 PolarHBondContact N-OD1 2.81Å
227L92.8Very high90.1Very high5 Ų539.3 Ų39.33%0.02621%0.212CC..  trans-62.9111.4176.2-65.7-178.8000110.5A224 Q225 A229 P236 S259 P261 V285 L297 L321A224-L227 HydrophobicContact CB-CD1 3.99Å; A224-L227 HydrophobicContact CB-CD2 4.02Å; A224-L227 HydrophobicContact CB-CG 4.04Å; Q225-L227 PolarHBondContact O-N 2.71Å; L227-A229 PolarHBondContact O-N 2.83Å; L227-P236 HydrophobicContact CD1-CB 3.58Å; L227-P236 HydrophobicContact CD1-CG 4.06Å; L227-S259 WeakPolarHBondContact CB-O 3.24Å; L227-S259 WeakPolarHBondContact CG-O 3.12Å; L227-S259 PolarHBondContact N-O 2.95Å; L227-S259 WeakPolarHBondContact O-CB 3.4Å; L227-P261 HydrophobicContact CD1-CG 3.79Å; L227-V285 HydrophobicContact CD1-CG1 4.06Å; L227-V285 HydrophobicContact CD2-CG1 4.06Å; L227-L297 HydrophobicContact CB-CD1 4.28Å; L227-L321 HydrophobicContact CD2-CD1 4Å; L227-L321 HydrophobicContact CD2-CD2 3.85Å
228Q87.9Confident90.3Very high120 Ų12039.3 Ų39.356%0.56121%0.212SC*.  trans-73.9115.2175.4-65-61.4-23.500109.3C200 L201 H226 L297C200-Q228 VanDerWaalsContact O-CG 3.3Å; C200-Q228 WeakPolarHBondContact O-CG 3.48Å; L201-Q228 PolarHBondContact O-N 2.71Å; H226-Q228 PolarHBondContact O-N 3.23Å; Q228-L297 WeakPolarHBondContact O-CD2 3.41Å
229A80.3Confident90.4Very high27 Ų2739.2 Ų39.222%0.22321%0.21CC..  trans-116140.5178.500000110.8L227 S231 C234 L297L227-A229 PolarHBondContact O-N 2.83Å; A229-S231 PolarHBondContact O-N 2.91Å; A229-C234 HydrophobicContact CB-CB 3.55Å; A229-L297 HydrophobicContact CB-CD2 4.5Å
230P76Confident90.4Very high94 Ų9439.2 Ų39.261%0.6121%0.21SC*.SBendtrans-67.75.1177.1-2638.8000115.8
231S71.8Confident90.3Very high63 Ų6340.4 Ų40.444%0.44121%0.214SC..SBendtrans-137.8146.4-179-174.10000109.7A229 T233A229-S231 PolarHBondContact O-N 2.91Å; S231-T233 PolarHBondContact O-N 2.85Å
232E70.4Confident90.1Very high203 Ų20341 Ų4195%0.94922%0.217SC*.SBendtrans-48.5-26.2-177.6-60.6177.4161.800114.8
233T80.4Confident89.8Confident53 Ų5340.2 Ų40.233%0.32521%0.213SC..SBendtrans-124.8111176.164.30000111.5S231 K257 H287S231-T233 PolarHBondContact O-N 2.85Å; T233-K257 HydrophobicContact CG2-CB 4.49Å; T233-K257 HydrophobicContact CG2-CD 4.41Å; T233-K257 HydrophobicContact CG2-CG 4.32Å; T233-H287 PolarHBondContact O-CE1 2.92Å; T233-H287 VanDerWaalsContact O-CE1 3.25Å
234C87.1Confident89.1Confident6 Ų641.8 Ų41.84%0.04123%0.227CC..  trans-76.1136.9174.3-170.10000112.1A229 K257 T258A229-C234 HydrophobicContact CB-CB 3.55Å; C234-K257 CarbonylContact O-C 3.58Å; C234-K257 VanDerWaalsContact O-C 3.32Å; C234-K257 WeakPolarHBondContact O-CA 3.36Å; C234-K257 PolarHBondContact O-N 2.81Å; C234-T258 WeakPolarHBondContact CB-O 3.48Å; C234-T258 PolarHBondContact O-N 3.45Å
235S93.6Very high88.5Confident22 Ų2244.4 Ų44.415%0.15424%0.241CC..  trans-119.985.1166.9-62.10000109.7K255 K257 H287 V288S235-K255 CarbonylContact C-O 3.51Å; S235-K255 WeakPolarHBondContact CA-O 3.05Å; S235-K255 WeakPolarHBondContact CB-O 3.37Å; S235-K257 PolarHBondContact OG-N 2.82Å; S235-H287 PolarHBondContact N-ND1 2.83Å; S235-V288 WeakPolarHBondContact CB-O 3.47Å; S235-V288 PolarHBondContact O-N 3.06Å
236P95.6Very high87.9Confident0 Ų047 Ų470%025%0.253CS..EExtended strand (participates in β ladder)trans-77.8145.4-167.329.4-35.1000113.5L227 T254 K255 T258 P261 F263 Y286L227-P236 HydrophobicContact CD1-CB 3.58Å; L227-P236 HydrophobicContact CD1-CG 4.06Å; P236-T254 WeakPolarHBondContact O-CA 3.43Å; P236-K255 VanDerWaalsContact CD-O 3.31Å; P236-K255 WeakPolarHBondContact CD-O 3.1Å; P236-K255 HydrophobicContact CG-CB 4.24Å; P236-K255 PolarHBondContact O-N 2.81Å; P236-T258 VanDerWaalsContact CD-O 3.26Å; P236-T258 WeakPolarHBondContact CD-O 3.3Å; P236-T258 HydrophobicContact CG-CG2 4.4Å; P236-T258 WeakPolarHBondContact CG-O 3.44Å; P236-P261 HydrophobicContact CB-CG 4.15Å; P236-P261 HydrophobicContact CG-CB 3.66Å; P236-P261 HydrophobicContact CG-CG 3.54Å; P236-F263 HydrophobicContact CB-CZ 4.37Å; P236-Y286 CarbonylContact C-O 3.49Å; P236-Y286 VanDerWaalsContact CA-O 3.28Å; P236-Y286 WeakPolarHBondContact CA-O 3.41Å
237L96.6Very high87.5Confident1 Ų154.3 Ų54.31%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-142.3133.4179.5175.968.2000108.6Q251 S252 T254 Y286 V288 H294L237-Q251 HydrophobicContact CD1-CG 3.75Å; L237-Q251 HydrophobicContact CD2-CG 4.34Å; L237-Q251 HydrophobicContact CG-CG 4.16Å; L237-S252 WeakPolarHBondContact CD1-O 3.18Å; L237-T254 HydrophobicContact CB-CG2 4.45Å; L237-Y286 PolarHBondContact N-O 2.81Å; L237-Y286 PolarHBondContact O-N 3.05Å; L237-V288 HydrophobicContact CB-CG2 3.76Å; L237-V288 HydrophobicContact CD2-CG2 3.75Å; L237-V288 HydrophobicContact CG-CG2 4.4Å; L237-H294 WeakPolarHBondContact CD2-CE1 3.41Å
238V98Very high87.3Confident0 Ų063.2 Ų63.20%031%0.31CS..EExtended strand (participates in β ladder)trans-112.2132.7179.4-169.90000110.4L221 L240 Q251 S252 F263 F283 S284 V285L221-V238 HydrophobicContact CD1-CB 4.39Å; L221-V238 HydrophobicContact CD1-CG1 4.17Å; L221-V238 HydrophobicContact CD1-CG2 4.28Å; L221-V238 HydrophobicContact CD2-CB 3.83Å; L221-V238 HydrophobicContact CD2-CG1 4.38Å; L221-V238 HydrophobicContact CD2-CG2 3.97Å; V238-L240 HydrophobicContact CB-CD1 4.48Å; V238-L240 HydrophobicContact CG1-CD1 4.07Å; V238-Q251 WeakPolarHBondContact O-CA 3.49Å; V238-S252 PolarHBondContact N-OG 2.92Å; V238-S252 PolarHBondContact O-N 3.12Å; V238-F263 HydrophobicContact CG2-CE1 4.08Å; V238-F263 HydrophobicContact CG2-CE2 3.85Å; V238-F263 HydrophobicContact CG2-CZ 3.57Å; V238-F283 HydrophobicContact CG1-CB 4.1Å; V238-F283 HydrophobicContact CG1-CD1 3.99Å; V238-S284 WeakPolarHBondContact CA-O 3.26Å; V238-V285 HydrophobicContact CG1-CG2 4.39Å; V238-V285 HydrophobicContact CG2-CG1 4.42Å; V238-V285 HydrophobicContact CG2-CG2 4.17Å
239K97.8Very high87.7Confident31 Ų3161.6 Ų61.614%0.13530%0.302CS..EExtended strand (participates in β ladder)trans-105.1136.2165.4-67.9-173.4177.3-171.60109.9Y241 F249 L250 Q251 F283 S284 Y286K239-Y241 HydrophobicContact CB-CD2 4.42Å; K239-Y241 HydrophobicContact CB-CE2 3.58Å; K239-Y241 WeakPolarHBondContact CD-OH 3.43Å; K239-F249 HydrophobicContact CB-CD2 4.29Å; K239-F249 HydrophobicContact CD-CD2 3.76Å; K239-F249 HydrophobicContact CD-CE2 3.81Å; K239-F249 HydrophobicContact CD-CG 4.21Å; K239-F249 HydrophobicContact CD-CZ 4.3Å; K239-F249 HydrophobicContact CG-CD2 3.91Å; K239-F249 HydrophobicContact CG-CE2 4.2Å; K239-L250 CarbonylContact C-O 3.39Å; K239-L250 WeakPolarHBondContact CA-O 3.2Å; K239-Q251 HydrophobicContact CG-CG 4.02Å; K239-F283 CarbonylContact O-C 3.22Å; K239-F283 WeakPolarHBondContact O-CA 3.18Å; K239-S284 PolarHBondContact N-O 2.88Å; K239-S284 PolarHBondContact O-N 3.03Å; K239-Y286 HydrophobicContact CB-CE2 4.15Å; K239-Y286 HydrophobicContact CD-CD2 4.49Å; K239-Y286 HydrophobicContact CD-CE2 3.82Å; K239-Y286 HydrophobicContact CG-CD2 4.32Å; K239-Y286 HydrophobicContact CG-CE2 3.96Å
240L98.1Very high88.5Confident0 Ų063.1 Ų63.10%031%0.306CS..EExtended strand (participates in β ladder)trans-114.7129.5-179.2-6581.3000109.2V219 V238 F249 L250 F267 F269 K282 F283V219-L240 HydrophobicContact CB-CD2 4.34Å; V219-L240 HydrophobicContact CG1-CD2 3.75Å; V238-L240 HydrophobicContact CB-CD1 4.48Å; V238-L240 HydrophobicContact CG1-CD1 4.07Å; L240-F249 CarbonylContact O-C 3.58Å; L240-F249 WeakPolarHBondContact O-CA 3.28Å; L240-F249 WeakPolarHBondContact O-CB 3.27Å; L240-L250 HydrophobicContact CB-CB 4.46Å; L240-L250 PolarHBondContact N-O 2.98Å; L240-L250 PolarHBondContact O-N 2.92Å; L240-F267 HydrophobicContact CD1-CD2 4.04Å; L240-F267 HydrophobicContact CD1-CE2 3.88Å; L240-F267 HydrophobicContact CD1-CG 4.5Å; L240-F267 HydrophobicContact CD1-CZ 4.21Å; L240-F267 HydrophobicContact CD2-CB 4.23Å; L240-F267 HydrophobicContact CD2-CD2 3.57Å; L240-F267 HydrophobicContact CD2-CE2 4.2Å; L240-F267 HydrophobicContact CD2-CG 3.99Å; L240-F267 HydrophobicContact CG-CD2 4.48Å; L240-F269 HydrophobicContact CB-CE2 4.32Å; L240-F269 HydrophobicContact CB-CZ 3.92Å; L240-K282 CarbonylContact C-O 3.59Å; L240-K282 WeakPolarHBondContact CA-O 3.31Å; L240-F283 HydrophobicContact CD1-CD1 4.47Å; L240-F283 HydrophobicContact CD2-CD1 3.99Å; L240-F283 HydrophobicContact CD2-CE1 3.54Å; L240-F283 HydrophobicContact CD2-CZ 4.42Å; L240-F283 HydrophobicContact CG-CD1 3.71Å; L240-F283 HydrophobicContact CG-CE1 3.83Å
241Y95.8Very high89.5Confident27 Ų2762.5 Ų62.511%0.10630%0.295CS..EExtended strand (participates in β ladder)trans-127146.8179.1-54.5-106.4000109.8K239 E246 F249 K282K239-Y241 HydrophobicContact CB-CD2 4.42Å; K239-Y241 HydrophobicContact CB-CE2 3.58Å; K239-Y241 WeakPolarHBondContact CD-OH 3.43Å; Y241-E246 WeakPolarHBondContact CE1-O 3.44Å; Y241-F249 HydrophobicContact CD1-CB 3.7Å; Y241-F249 HydrophobicContact CD2-CB 4.41Å; Y241-F249 HydrophobicContact CE1-CB 3.55Å; Y241-F249 HydrophobicContact CE1-CD1 4.1Å; Y241-F249 HydrophobicContact CE1-CG 4.14Å; Y241-F249 HydrophobicContact CE2-CB 4.25Å; Y241-F249 HydrophobicContact CG-CB 4.14Å; Y241-K282 HydrophobicContact CD2-CD 4.49Å; Y241-K282 HydrophobicContact CD2-CG 4.18Å; Y241-K282 PolarHBondContact N-O 2.85Å; Y241-K282 PolarHBondContact O-N 2.89Å
242L94.5Very high90.8Very high13 Ų1359.8 Ų59.87%0.06828%0.276CS..EExtended strand (participates in β ladder)trans-111.486.8173.5-17166.5000109.6L217 D245 F269 V271 R279 L304L217-L242 HydrophobicContact CD2-CD1 3.96Å; L242-D245 PolarHBondContact O-N 2.91Å; L242-F269 HydrophobicContact CB-CD1 3.77Å; L242-F269 HydrophobicContact CB-CE1 3.97Å; L242-F269 HydrophobicContact CB-CG 4.17Å; L242-F269 HydrophobicContact CD2-CB 3.79Å; L242-F269 HydrophobicContact CD2-CD1 4.35Å; L242-F269 HydrophobicContact CD2-CG 4.15Å; L242-V271 HydrophobicContact CD2-CB 3.88Å; L242-V271 HydrophobicContact CD2-CG1 3.98Å; L242-V271 HydrophobicContact CD2-CG2 4.07Å; L242-R279 HydrophobicContact CD1-CB 3.67Å; L242-R279 HydrophobicContact CD1-CG 4.23Å; L242-R279 HydrophobicContact CD2-CG 4.4Å; L242-R279 HydrophobicContact CG-CB 4.1Å; L242-R279 HydrophobicContact CG-CG 4.18Å; L242-L304 HydrophobicContact CD1-CD1 3.69Å
243L89.8Confident92Very high14 Ų1457.2 Ų57.27%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-61.4145.5-173.6-55.2-176.8000111.3E246 R279 V280 K282 L301L243-E246 HydrophobicContact CD2-CG 3.45Å; L243-E246 VanDerWaalsContact CD2-CG 3.45Å; L243-R279 WeakPolarHBondContact O-CD 3.15Å; L243-V280 HydrophobicContact CB-CB 4.14Å; L243-V280 WeakPolarHBondContact CB-O 3.21Å; L243-V280 HydrophobicContact CD1-CB 4.22Å; L243-V280 HydrophobicContact CD1-CG1 4.34Å; L243-V280 HydrophobicContact CG-CB 4.49Å; L243-V280 WeakPolarHBondContact CG-O 3.49Å; L243-V280 PolarHBondContact N-O 2.97Å; L243-V280 PolarHBondContact O-N 2.99Å; L243-K282 HydrophobicContact CD1-CB 3.94Å; L243-K282 HydrophobicContact CD1-CD 4.27Å; L243-K282 HydrophobicContact CD2-CB 4.36Å; L243-K282 HydrophobicContact CD2-CD 4.43Å; L243-K282 HydrophobicContact CG-CB 4.02Å; L243-L301 HydrophobicContact CD1-CD2 4.26Å
244P82.2Confident92.8Very high67 Ų6757.6 Ų57.644%0.43526%0.263SS..THydrogen-bonded Turncis-79.47.96.530.4-38.2000117.4E246P244-E246 PolarHBondContact O-N 2.93Å
245D84.4Confident93.1Very high55 Ų5560 Ų6029%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-77.691173.7-168.1-9.4000111.1L242 R247 R248L242-D245 PolarHBondContact O-N 2.91Å; D245-R247 PolarHBondContact OD1-N 2.8Å; D245-R248 PolarHBondContact OD1-N 2.78Å; D245-R248 VanDerWaalsContact OD2-CD 3.25Å; D245-R248 WeakPolarHBondContact OD2-CD 3.16Å; D245-R248 WeakPolarHBondContact OD2-CG 3.38Å; D245-R248 IonicContact OD2-NE 2.79Å
246E81.1Confident93Very high102 Ų10269.3 Ų69.348%0.47731%0.305SS..EExtended strand (participates in β ladder)trans-83.8-12.4172.3-68.5-177.2173.900113Y241 L243 P244Y241-E246 WeakPolarHBondContact CE1-O 3.44Å; L243-E246 HydrophobicContact CD2-CG 3.45Å; L243-E246 VanDerWaalsContact CD2-CG 3.45Å; P244-E246 PolarHBondContact O-N 2.93Å
247R83.5Confident92.7Very high237 Ų23777 Ų7789%0.89434%0.338SS*.EExtended strand (participates in β ladder)trans-80.6-30.7-176.9-63-175.4-179.2-173.21.4111.7D245D245-R247 PolarHBondContact OD1-N 2.8Å
248R89.1Confident92.5Very high192 Ų19279 Ų7973%0.72535%0.351SS*.EExtended strand (participates in β ladder)trans-103128.7177.4-59.9-174.7-179.6178.2-0.9110.3D245D245-R248 PolarHBondContact OD1-N 2.78Å; D245-R248 VanDerWaalsContact OD2-CD 3.25Å; D245-R248 WeakPolarHBondContact OD2-CD 3.16Å; D245-R248 WeakPolarHBondContact OD2-CG 3.38Å; D245-R248 IonicContact OD2-NE 2.79Å
249F95.7Very high92.2Very high87 Ų8781.4 Ų81.438%0.38237%0.368SS..EExtended strand (participates in β ladder)trans-134.3149.3171.964.8-90.4000111.1K239 L240 Y241 Q251K239-F249 HydrophobicContact CB-CD2 4.29Å; K239-F249 HydrophobicContact CD-CD2 3.76Å; K239-F249 HydrophobicContact CD-CE2 3.81Å; K239-F249 HydrophobicContact CD-CG 4.21Å; K239-F249 HydrophobicContact CD-CZ 4.3Å; K239-F249 HydrophobicContact CG-CD2 3.91Å; K239-F249 HydrophobicContact CG-CE2 4.2Å; L240-F249 CarbonylContact O-C 3.58Å; L240-F249 WeakPolarHBondContact O-CA 3.28Å; L240-F249 WeakPolarHBondContact O-CB 3.27Å; Y241-F249 HydrophobicContact CD1-CB 3.7Å; Y241-F249 HydrophobicContact CD2-CB 4.41Å; Y241-F249 HydrophobicContact CE1-CB 3.55Å; Y241-F249 HydrophobicContact CE1-CD1 4.1Å; Y241-F249 HydrophobicContact CE1-CG 4.14Å; Y241-F249 HydrophobicContact CE2-CB 4.25Å; Y241-F249 HydrophobicContact CG-CB 4.14Å; F249-Q251 HydrophobicContact CD2-CB 4.15Å; F249-Q251 HydrophobicContact CE2-CB 4.14Å
250L97.6Very high92Very high58 Ų5883.2 Ų83.230%0.30438%0.379SS..EExtended strand (participates in β ladder)trans-98.6153.2163.6-57.1178.5000108.1K239 L240 F267 I268 F269K239-L250 CarbonylContact C-O 3.39Å; K239-L250 WeakPolarHBondContact CA-O 3.2Å; L240-L250 HydrophobicContact CB-CB 4.46Å; L240-L250 PolarHBondContact N-O 2.98Å; L240-L250 PolarHBondContact O-N 2.92Å; L250-F267 HydrophobicContact CB-CD1 3.7Å; L250-F267 HydrophobicContact CB-CE1 4.31Å; L250-F267 HydrophobicContact CB-CG 4.34Å; L250-F267 HydrophobicContact CD1-CB 3.8Å; L250-F267 HydrophobicContact CD1-CD1 4.19Å; L250-F267 HydrophobicContact CD1-CG 4.42Å; L250-I268 WeakPolarHBondContact CD1-O 3.43Å; L250-F269 HydrophobicContact CB-CZ 4.36Å; L250-F269 HydrophobicContact CD1-CD1 4.21Å; L250-F269 HydrophobicContact CD1-CD2 4.32Å; L250-F269 HydrophobicContact CD1-CE1 3.88Å; L250-F269 HydrophobicContact CD1-CE2 4Å; L250-F269 HydrophobicContact CD1-CG 4.42Å; L250-F269 HydrophobicContact CD1-CZ 3.77Å; L250-F269 HydrophobicContact CG-CE1 3.97Å; L250-F269 HydrophobicContact CG-CZ 4Å
251Q97.6Very high91.9Very high82 Ų8283.2 Ų83.238%0.38338%0.379SS..EExtended strand (participates in β ladder)trans-139.1136.1-171.8-168.1-174.3-89.900111L237 V238 K239 F249L237-Q251 HydrophobicContact CD1-CG 3.75Å; L237-Q251 HydrophobicContact CD2-CG 4.34Å; L237-Q251 HydrophobicContact CG-CG 4.16Å; V238-Q251 WeakPolarHBondContact O-CA 3.49Å; K239-Q251 HydrophobicContact CG-CG 4.02Å; F249-Q251 HydrophobicContact CD2-CB 4.15Å; F249-Q251 HydrophobicContact CE2-CB 4.14Å
252S98.1Very high92Very high6 Ų686.4 Ų86.44%0.04240%0.395CS..PPolyproline II helixtrans-71.6172173.981.60000112.9L237 V238 F263 E265L237-S252 WeakPolarHBondContact CD1-O 3.18Å; V238-S252 PolarHBondContact N-OG 2.92Å; V238-S252 PolarHBondContact O-N 3.12Å; S252-F263 WeakPolarHBondContact OG-CE1 3.37Å; S252-E265 WeakPolarHBondContact CA-OE2 3.49Å
253K96.6Very high92.1Very high149 Ų14986 Ų8665%0.64839%0.393SS*.PPolyproline II helixtrans-71145.9160.2-60.8164.4-172.8167.40108.9K255 E265K253-K255 PolarHBondContact O-N 3.5Å; K253-E265 WeakPolarHBondContact CB-OE1 3.47Å; K253-E265 PolarHBondContact N-OE1 3.38Å; K253-E265 PolarHBondContact N-OE2 2.83Å
254T95.6Very high92.5Very high60 Ų6090.3 Ų90.337%0.36842%0.416SS..PPolyproline II helixtrans-73.6121.8171.1-46.50000109.2P236 L237 V288P236-T254 WeakPolarHBondContact O-CA 3.43Å; L237-T254 HydrophobicContact CB-CG2 4.45Å; T254-V288 HydrophobicContact CG2-CB 4.09Å; T254-V288 HydrophobicContact CG2-CG2 3.93Å
255K94.9Very high93.3Very high57 Ų5788.1 Ų88.125%0.24840%0.4CS..PPolyproline II helixtrans-85.9149.4167.8-51.5-69168.1140.20108S235 P236 K253 T258 P261 Q262 F263 E265S235-K255 CarbonylContact C-O 3.51Å; S235-K255 WeakPolarHBondContact CA-O 3.05Å; S235-K255 WeakPolarHBondContact CB-O 3.37Å; P236-K255 VanDerWaalsContact CD-O 3.31Å; P236-K255 WeakPolarHBondContact CD-O 3.1Å; P236-K255 HydrophobicContact CG-CB 4.24Å; P236-K255 PolarHBondContact O-N 2.81Å; K253-K255 PolarHBondContact O-N 3.5Å; K255-T258 HydrophobicContact CB-CG2 4.13Å; K255-P261 HydrophobicContact CB-CB 4Å; K255-P261 HydrophobicContact CG-CB 3.91Å; K255-Q262 WeakPolarHBondContact CD-O 3.11Å; K255-Q262 WeakPolarHBondContact CE-O 3.48Å; K255-Q262 PolarHBondContact NZ-O 2.9Å; K255-F263 HydrophobicContact CG-CD1 3.97Å; K255-F263 HydrophobicContact CG-CE1 3.78Å; K255-F263 HydrophobicContact CG-CZ 4.46Å; K255-F263 PolarHBondContact NZ-O 3.27Å; K255-E265 IonicContact NZ-OE1 3.1Å
256R90.8Very high93.9Very high217 Ų21791.2 Ų91.282%0.81941%0.412SS*.  trans-111.5137.6-171.2-66.2-177.7179.7-179.30.8111.2T258R256-T258 PolarHBondContact O-N 2.84Å
257K89.6Confident94.7Very high161 Ų16187.4 Ų87.470%0.739%0.394SS*.SBendtrans49.147.5171.2-55.4-173.2177.3-174.90114.4T233 C234 S235T233-K257 HydrophobicContact CG2-CB 4.49Å; T233-K257 HydrophobicContact CG2-CD 4.41Å; T233-K257 HydrophobicContact CG2-CG 4.32Å; C234-K257 CarbonylContact O-C 3.58Å; C234-K257 VanDerWaalsContact O-C 3.32Å; C234-K257 WeakPolarHBondContact O-CA 3.36Å; C234-K257 PolarHBondContact O-N 2.81Å; S235-K257 PolarHBondContact OG-N 2.82Å
258T92.6Very high95.3Very high44 Ų4480.7 Ų80.727%0.2738%0.375SS..  trans-146.1135.1176.1179.60000111.8C234 P236 K255 R256 N260 P261C234-T258 WeakPolarHBondContact CB-O 3.48Å; C234-T258 PolarHBondContact O-N 3.45Å; P236-T258 VanDerWaalsContact CD-O 3.26Å; P236-T258 WeakPolarHBondContact CD-O 3.3Å; P236-T258 HydrophobicContact CG-CG2 4.4Å; P236-T258 WeakPolarHBondContact CG-O 3.44Å; K255-T258 HydrophobicContact CB-CG2 4.13Å; R256-T258 PolarHBondContact O-N 2.84Å; T258-N260 VanDerWaalsContact OG1-C 3.31Å; T258-N260 PolarHBondContact OG1-N 3.35Å; T258-N260 PolarHBondContact OG1-O 3.18Å; T258-P261 HydrophobicContact CG2-CB 4.07Å
259S91.8Very high95.7Very high51 Ų5172.6 Ų72.636%0.35735%0.345SS..SBendtrans-87.4-7.7167.349.70000113H226 L227 P261H226-S259 PolarHBondContact N-O 3.36Å; L227-S259 WeakPolarHBondContact CB-O 3.24Å; L227-S259 WeakPolarHBondContact CG-O 3.12Å; L227-S259 PolarHBondContact N-O 2.95Å; L227-S259 WeakPolarHBondContact O-CB 3.4Å; S259-P261 WeakPolarHBondContact O-CD 3.41Å
260N93.9Very high95.6Very high68 Ų6874.1 Ų74.136%0.36435%0.353SS..SBendtrans-12462.8-179.2-61.2-46.6000110.8A224 Q225 H226 T258A224-N260 CarbonylContact O-C 3.58Å; A224-N260 VanDerWaalsContact O-C 3.32Å; A224-N260 VanDerWaalsContact O-CA 3.27Å; A224-N260 WeakPolarHBondContact O-CA 3.24Å; Q225-N260 VanDerWaalsContact CA-OD1 3.23Å; Q225-N260 WeakPolarHBondContact CA-OD1 3.48Å; H226-N260 PolarHBondContact N-OD1 2.81Å; T258-N260 VanDerWaalsContact OG1-C 3.31Å; T258-N260 PolarHBondContact OG1-N 3.35Å; T258-N260 PolarHBondContact OG1-O 3.18Å
261P95.8Very high95.4Very high1 Ų171.9 Ų71.91%0.00634%0.342CS..  trans-70130.6-177.630.4-38000112.7K223 A224 L227 P236 K255 T258 S259 F263K223-P261 CarbonylContact C-O 3.32Å; K223-P261 VanDerWaalsContact CA-O 3.32Å; K223-P261 WeakPolarHBondContact CA-O 3.25Å; A224-P261 HydrophobicContact CB-CG 3.82Å; A224-P261 PolarHBondContact N-O 2.94Å; A224-P261 WeakPolarHBondContact O-CD 3.46Å; L227-P261 HydrophobicContact CD1-CG 3.79Å; P236-P261 HydrophobicContact CB-CG 4.15Å; P236-P261 HydrophobicContact CG-CB 3.66Å; P236-P261 HydrophobicContact CG-CG 3.54Å; K255-P261 HydrophobicContact CB-CB 4Å; K255-P261 HydrophobicContact CG-CB 3.91Å; T258-P261 HydrophobicContact CG2-CB 4.07Å; S259-P261 WeakPolarHBondContact O-CD 3.41Å; P261-F263 HydrophobicContact CB-CD2 4.28Å; P261-F263 HydrophobicContact CB-CE1 4.38Å; P261-F263 HydrophobicContact CB-CE2 3.71Å; P261-F263 HydrophobicContact CB-CZ 3.75Å; P261-F263 HydrophobicContact CG-CD2 4.31Å; P261-F263 HydrophobicContact CG-CE2 3.43Å; P261-F263 VanDerWaalsContact CG-CE2 3.43Å; P261-F263 HydrophobicContact CG-CZ 3.67Å
262Q96.9Very high95.2Very high93 Ų9369.8 Ų69.844%0.43534%0.336SS..EExtended strand (participates in β ladder)trans-86.2123.3156.1-59.1-61.5-43.600107.9K255K255-Q262 WeakPolarHBondContact CD-O 3.11Å; K255-Q262 WeakPolarHBondContact CE-O 3.48Å; K255-Q262 PolarHBondContact NZ-O 2.9Å
263F97.5Very high94.9Very high5 Ų571.4 Ų71.42%0.02235%0.347CS..EExtended strand (participates in β ladder)trans-94.5-61.9178.2-70.4-77.7000110.9L221 I222 A224 P236 V238 S252 K255 P261 E265L221-F263 HydrophobicContact CB-CB 4.38Å; L221-F263 HydrophobicContact CD1-CD2 4.44Å; L221-F263 HydrophobicContact CD2-CB 3.76Å; L221-F263 HydrophobicContact CD2-CD1 3.79Å; L221-F263 HydrophobicContact CD2-CD2 3.94Å; L221-F263 HydrophobicContact CD2-CE1 4.4Å; L221-F263 HydrophobicContact CD2-CE2 4.5Å; L221-F263 HydrophobicContact CD2-CG 3.55Å; L221-F263 HydrophobicContact CG-CB 3.74Å; L221-F263 HydrophobicContact CG-CD2 3.91Å; L221-F263 HydrophobicContact CG-CG 3.82Å; L221-F263 WeakPolarHBondContact O-CB 3.41Å; I222-F263 WeakPolarHBondContact O-CA 3.39Å; I222-F263 WeakPolarHBondContact O-CB 3.44Å; I222-F263 PolarHBondContact O-N 2.8Å; A224-F263 HydrophobicContact CB-CE2 4.29Å; P236-F263 HydrophobicContact CB-CZ 4.37Å; V238-F263 HydrophobicContact CG2-CE1 4.08Å; V238-F263 HydrophobicContact CG2-CE2 3.85Å; V238-F263 HydrophobicContact CG2-CZ 3.57Å; S252-F263 WeakPolarHBondContact OG-CE1 3.37Å; K255-F263 HydrophobicContact CG-CD1 3.97Å; K255-F263 HydrophobicContact CG-CE1 3.78Å; K255-F263 HydrophobicContact CG-CZ 4.46Å; K255-F263 PolarHBondContact NZ-O 3.27Å; P261-F263 HydrophobicContact CB-CD2 4.28Å; P261-F263 HydrophobicContact CB-CE1 4.38Å; P261-F263 HydrophobicContact CB-CE2 3.71Å; P261-F263 HydrophobicContact CB-CZ 3.75Å; P261-F263 HydrophobicContact CG-CD2 4.31Å; P261-F263 HydrophobicContact CG-CE2 3.43Å; P261-F263 VanDerWaalsContact CG-CE2 3.43Å; P261-F263 HydrophobicContact CG-CZ 3.67Å; F263-E265 VanDerWaalsContact C-N 3.34Å
264D97.1Very high94.5Very high104 Ų10472.6 Ų72.656%0.55635%0.353SS*.EExtended strand (participates in β ladder)trans53.447.9-175-53-56000112.5L221 I222L221-D264 WeakPolarHBondContact O-CA 3.44Å; L221-D264 PolarHBondContact O-N 3Å; I222-D264 PolarHBondContact O-N 3.36Å; I222-D264 VanDerWaalsContact O-N 3.17Å
265E98.3Very high94.1Very high21 Ų2171.7 Ų71.710%0.09835%0.347CS..EExtended strand (participates in β ladder)trans-117.6137.7-175.7-71.3175.5-12900110.9L221 S252 K253 K255 F263 F267L221-E265 PolarHBondContact N-O 3.34Å; L221-E265 PolarHBondContact O-N 3.31Å; S252-E265 WeakPolarHBondContact CA-OE2 3.49Å; K253-E265 WeakPolarHBondContact CB-OE1 3.47Å; K253-E265 PolarHBondContact N-OE1 3.38Å; K253-E265 PolarHBondContact N-OE2 2.83Å; K255-E265 IonicContact NZ-OE1 3.1Å; F263-E265 VanDerWaalsContact C-N 3.34Å; E265-F267 HydrophobicContact CB-CE2 3.81Å; E265-F267 HydrophobicContact CB-CZ 3.87Å
266H97.3Very high93.9Very high120 Ų12069.2 Ų69.256%0.55634%0.337SS*.EExtended strand (participates in β ladder)trans-111138.7-177.6-73.9-108.1000111.5R314H266-R314 VanDerWaalsContact CE1-CZ 3.5Å; H266-R314 PolarHBondContact CE1-NH1 3.07Å; H266-R314 PolarHBondContact CE1-NH2 3.32Å; H266-R314 VanDerWaalsContact CE1-NH2 3.35Å
267F98.1Very high93.8Very high23 Ų2361.6 Ų61.610%0.10131%0.314CS..EExtended strand (participates in β ladder)trans-131.4147.2-176-60-75000110.2V219 L221 L240 L250 E265V219-F267 HydrophobicContact CB-CB 4.4Å; V219-F267 PolarHBondContact N-O 3.25Å; V219-F267 PolarHBondContact O-N 3.37Å; L221-F267 HydrophobicContact CB-CD2 4.26Å; L221-F267 HydrophobicContact CB-CE2 3.78Å; L221-F267 HydrophobicContact CD2-CE2 4.09Å; L240-F267 HydrophobicContact CD1-CD2 4.04Å; L240-F267 HydrophobicContact CD1-CE2 3.88Å; L240-F267 HydrophobicContact CD1-CG 4.5Å; L240-F267 HydrophobicContact CD1-CZ 4.21Å; L240-F267 HydrophobicContact CD2-CB 4.23Å; L240-F267 HydrophobicContact CD2-CD2 3.57Å; L240-F267 HydrophobicContact CD2-CE2 4.2Å; L240-F267 HydrophobicContact CD2-CG 3.99Å; L240-F267 HydrophobicContact CG-CD2 4.48Å; L250-F267 HydrophobicContact CB-CD1 3.7Å; L250-F267 HydrophobicContact CB-CE1 4.31Å; L250-F267 HydrophobicContact CB-CG 4.34Å; L250-F267 HydrophobicContact CD1-CB 3.8Å; L250-F267 HydrophobicContact CD1-CD1 4.19Å; L250-F267 HydrophobicContact CD1-CG 4.42Å; E265-F267 HydrophobicContact CB-CE2 3.81Å; E265-F267 HydrophobicContact CB-CZ 3.87Å
268I97.1Very high93.6Very high95 Ų9557.3 Ų57.349%0.48730%0.297SS..EExtended strand (participates in β ladder)trans-128.8125-177.9-52.9-175.5000108.9R216 L217 L218 L250R216-I268 HydrophobicContact CB-CG2 4.05Å; R216-I268 HydrophobicContact CG-CG2 3.91Å; L217-I268 WeakPolarHBondContact O-CA 3.39Å; L218-I268 HydrophobicContact CD2-CB 4.49Å; L218-I268 HydrophobicContact CD2-CD1 3.92Å; L218-I268 HydrophobicContact CD2-CG1 3.76Å; L218-I268 HydrophobicContact CD2-CG2 4.21Å; L250-I268 WeakPolarHBondContact CD1-O 3.43Å
269F96.2Very high93.4Very high22 Ų2258.3 Ų58.310%0.09630%0.296CS..EExtended strand (participates in β ladder)trans-108.1126.3168.4-64.2-88.1000109.6R216 L217 V219 L240 L242 L250 L281R216-F269 WeakPolarHBondContact CA-O 3.49Å; L217-F269 HydrophobicContact CB-CB 4.36Å; L217-F269 HydrophobicContact CD2-CD2 4.29Å; L217-F269 PolarHBondContact N-O 2.78Å; L217-F269 PolarHBondContact O-N 2.86Å; V219-F269 HydrophobicContact CG2-CD2 4.13Å; V219-F269 HydrophobicContact CG2-CE2 4.2Å; L240-F269 HydrophobicContact CB-CE2 4.32Å; L240-F269 HydrophobicContact CB-CZ 3.92Å; L242-F269 HydrophobicContact CB-CD1 3.77Å; L242-F269 HydrophobicContact CB-CE1 3.97Å; L242-F269 HydrophobicContact CB-CG 4.17Å; L242-F269 HydrophobicContact CD2-CB 3.79Å; L242-F269 HydrophobicContact CD2-CD1 4.35Å; L242-F269 HydrophobicContact CD2-CG 4.15Å; L250-F269 HydrophobicContact CB-CZ 4.36Å; L250-F269 HydrophobicContact CD1-CD1 4.21Å; L250-F269 HydrophobicContact CD1-CD2 4.32Å; L250-F269 HydrophobicContact CD1-CE1 3.88Å; L250-F269 HydrophobicContact CD1-CE2 4Å; L250-F269 HydrophobicContact CD1-CG 4.42Å; L250-F269 HydrophobicContact CD1-CZ 3.77Å; L250-F269 HydrophobicContact CG-CE1 3.97Å; L250-F269 HydrophobicContact CG-CZ 4Å; F269-L281 HydrophobicContact CE2-CD1 3.91Å; F269-L281 HydrophobicContact CZ-CD1 4.46Å
270Q95Very high93.4Very high120 Ų12056.5 Ų56.556%0.56128%0.282SS*.EExtended strand (participates in β ladder)trans-80118.6170.9-167.674.246.400108.7A214 E215A214-Q270 PolarHBondContact O-NE2 3.41Å; E215-Q270 PolarHBondContact O-NE2 3.02Å
271V93.3Very high93.5Very high11 Ų1153.2 Ų53.27%0.06727%0.265CS..  trans-157.1127.2-171.8520000110.7Y210 E215 L217 L242 I276 R279Y210-V271 HydrophobicContact CE2-CG1 4.1Å; Y210-V271 PolarHBondContact OH-O 3.02Å; Y210-V271 VanDerWaalsContact OH-O 3.05Å; E215-V271 CarbonylContact C-O 3.53Å; E215-V271 PolarHBondContact O-N 2.78Å; E215-V271 VanDerWaalsContact O-O 3.07Å; L217-V271 HydrophobicContact CB-CG1 3.85Å; L242-V271 HydrophobicContact CD2-CB 3.88Å; L242-V271 HydrophobicContact CD2-CG1 3.98Å; L242-V271 HydrophobicContact CD2-CG2 4.07Å; V271-I276 HydrophobicContact CB-CD1 4.48Å; V271-I276 HydrophobicContact CG1-CD1 3.63Å; V271-I276 HydrophobicContact CG2-CB 4.38Å; V271-I276 HydrophobicContact CG2-CD1 4.01Å; V271-R279 HydrophobicContact CG2-CG 4.2Å
272S93.1Very high93.4Very high38 Ų3854.4 Ų54.427%0.26627%0.27SS..  trans-69.1141.7-176.51780000113.2E215 K274 T275 I276E215-S272 VanDerWaalsContact CD-CA 3.47Å; E215-S272 WeakPolarHBondContact OE1-CA 3.47Å; E215-S272 VanDerWaalsContact OE1-CB 3.24Å; E215-S272 WeakPolarHBondContact OE1-CB 3.2Å; E215-S272 PolarHBondContact OE1-OG 3.39Å; E215-S272 WeakPolarHBondContact OE2-CB 3.49Å; S272-K274 PolarHBondContact O-N 2.92Å; S272-K274 VanDerWaalsContact O-N 3.1Å; S272-T275 PolarHBondContact O-N 3.04Å; S272-T275 PolarHBondContact O-OG1 3.07Å; S272-I276 PolarHBondContact O-N 2.91Å
273S90.5Very high93.5Very high39 Ų3950 Ų5027%0.27325%0.249SC..THydrogen-bonded Turntrans-51.3-31.8176.753.20000113.1Y210 E215 T275Y210-S273 WeakPolarHBondContact OH-CA 3.35Å; Y210-S273 PolarHBondContact OH-N 3.01Å; E215-S273 PolarHBondContact OE1-N 2.84Å; E215-S273 PolarHBondContact OE1-OG 3.47Å; E215-S273 VanDerWaalsContact OE1-OG 3.1Å; S273-T275 PolarHBondContact O-N 2.8Å
274K88.4Confident93.4Very high175 Ų17549.8 Ų49.876%0.76125%0.248SC*.THydrogen-bonded Turntrans-68.3-20.1177.5-62.4177.5-177.8175.10114S272S272-K274 PolarHBondContact O-N 2.92Å; S272-K274 VanDerWaalsContact O-N 3.1Å
275T88.4Confident93.4Very high41 Ų4144.8 Ų44.825%0.25222%0.222SC..THydrogen-bonded Turntrans-123.5-13.3-173.673.70000114.4S272 S273 T277 Q278 R279S272-T275 PolarHBondContact O-N 3.04Å; S272-T275 PolarHBondContact O-OG1 3.07Å; S273-T275 PolarHBondContact O-N 2.8Å; T275-T277 PolarHBondContact O-N 2.9Å; T275-Q278 PolarHBondContact O-N 3.3Å; T275-Q278 VanDerWaalsContact O-N 3.08Å; T275-R279 WeakPolarHBondContact O-CG 3.44Å; T275-R279 PolarHBondContact OG1-NH2 2.66Å
276I90.5Very high93.3Very high5 Ų545.5 Ų45.53%0.02622%0.224CC..G310 helixtrans-54.9-38.4-176.4-172.154.6000112.3Y210 L217 V271 S272 Q278 R279 L304 L309Y210-I276 HydrophobicContact CD2-CD1 4.29Å; Y210-I276 HydrophobicContact CD2-CG1 3.89Å; Y210-I276 HydrophobicContact CE1-CG2 4.22Å; Y210-I276 HydrophobicContact CE2-CB 4.27Å; Y210-I276 HydrophobicContact CE2-CD1 4.42Å; Y210-I276 HydrophobicContact CE2-CG1 4.02Å; Y210-I276 HydrophobicContact CG-CG1 4.31Å; L217-I276 HydrophobicContact CB-CD1 4.35Å; L217-I276 HydrophobicContact CD1-CD1 4.35Å; L217-I276 HydrophobicContact CD2-CD1 4.35Å; V271-I276 HydrophobicContact CB-CD1 4.48Å; V271-I276 HydrophobicContact CG1-CD1 3.63Å; V271-I276 HydrophobicContact CG2-CB 4.38Å; V271-I276 HydrophobicContact CG2-CD1 4.01Å; S272-I276 PolarHBondContact O-N 2.91Å; I276-Q278 PolarHBondContact O-N 2.84Å; I276-Q278 VanDerWaalsContact O-N 3.09Å; I276-R279 WeakPolarHBondContact O-CB 3.29Å; I276-R279 PolarHBondContact O-N 2.81Å; I276-L304 HydrophobicContact CD1-CD1 3.62Å; I276-L309 HydrophobicContact CG1-CD1 3.65Å; I276-L309 HydrophobicContact CG2-CD1 4.34Å
277T88.3Confident93.1Very high57 Ų5740.2 Ų40.235%0.3520%0.199SC..G310 helixtrans-64.7-14.9-177.264.60000114.4T275 L304 N306T275-T277 PolarHBondContact O-N 2.9Å; T277-L304 CarbonylContact C-O 3.57Å; T277-L304 WeakPolarHBondContact CA-O 3.49Å; T277-N306 WeakPolarHBondContact CG2-OD1 3.4Å
278Q84.7Confident92.9Very high71 Ų7140 Ų4033%0.33220%0.2SC..G310 helixtrans-108-0.9-178.1-59.8168.8-11.900112.2T275 I276 L391T275-Q278 PolarHBondContact O-N 3.3Å; T275-Q278 VanDerWaalsContact O-N 3.08Å; I276-Q278 PolarHBondContact O-N 2.84Å; I276-Q278 VanDerWaalsContact O-N 3.09Å; Q278-L391 VanDerWaalsContact OE1-CD1 3.25Å
279R88.8Confident92.5Very high65 Ų6538 Ų3825%0.24519%0.19CC..  trans-89.1154-178.4-59-61.1175.5154.7-2.9111.7L242 L243 V271 T275 I276 L304L242-R279 HydrophobicContact CD1-CB 3.67Å; L242-R279 HydrophobicContact CD1-CG 4.23Å; L242-R279 HydrophobicContact CD2-CG 4.4Å; L242-R279 HydrophobicContact CG-CB 4.1Å; L242-R279 HydrophobicContact CG-CG 4.18Å; L243-R279 WeakPolarHBondContact O-CD 3.15Å; V271-R279 HydrophobicContact CG2-CG 4.2Å; T275-R279 WeakPolarHBondContact O-CG 3.44Å; T275-R279 PolarHBondContact OG1-NH2 2.66Å; I276-R279 WeakPolarHBondContact O-CB 3.29Å; I276-R279 PolarHBondContact O-N 2.81Å; R279-L304 HydrophobicContact CB-CD1 4.11Å; R279-L304 PolarHBondContact O-N 2.88Å
280V92.3Very high92Very high12 Ų1248.5 Ų48.57%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-121.9121.2172.2-176.20000108.5L243 K282 L301 P303 V397L243-V280 HydrophobicContact CB-CB 4.14Å; L243-V280 WeakPolarHBondContact CB-O 3.21Å; L243-V280 HydrophobicContact CD1-CB 4.22Å; L243-V280 HydrophobicContact CD1-CG1 4.34Å; L243-V280 HydrophobicContact CG-CB 4.49Å; L243-V280 WeakPolarHBondContact CG-O 3.49Å; L243-V280 PolarHBondContact N-O 2.97Å; L243-V280 PolarHBondContact O-N 2.99Å; V280-K282 PolarHBondContact O-N 3.19Å; V280-L301 HydrophobicContact CG1-CB 3.95Å; V280-P303 HydrophobicContact CG2-CB 4.4Å; V280-P303 HydrophobicContact CG2-CG 4.41Å; V280-V397 HydrophobicContact CG1-CG2 4.23Å; V280-V397 HydrophobicContact CG2-CB 3.92Å; V280-V397 HydrophobicContact CG2-CG2 4.02Å
281L95.1Very high91.6Very high0 Ų050.9 Ų50.90%024%0.24CC..EExtended strand (participates in β ladder)trans-78.9112.4171.9-178.262.5000108.3V208 V219 F269 F283 F302 L304V208-L281 HydrophobicContact CG1-CD2 3.87Å; V219-L281 HydrophobicContact CG1-CD2 3.87Å; V219-L281 HydrophobicContact CG2-CD1 4.1Å; V219-L281 HydrophobicContact CG2-CD2 3.76Å; F269-L281 HydrophobicContact CE2-CD1 3.91Å; F269-L281 HydrophobicContact CZ-CD1 4.46Å; L281-F283 HydrophobicContact CD2-CE2 3.62Å; L281-F283 HydrophobicContact CD2-CZ 3.57Å; L281-F283 HydrophobicContact CG-CD2 4.35Å; L281-F283 HydrophobicContact CG-CE2 3.66Å; L281-F283 HydrophobicContact CG-CZ 3.91Å; L281-F302 HydrophobicContact CB-CB 4.41Å; L281-F302 PolarHBondContact N-O 2.83Å; L281-F302 PolarHBondContact O-N 2.87Å; L281-L304 HydrophobicContact CB-CD1 4.39Å; L281-L304 HydrophobicContact CB-CD2 4.47Å; L281-L304 HydrophobicContact CB-CG 4.45Å
282K95.3Very high91.3Very high25 Ų2560.4 Ų60.411%0.10928%0.275CS..EExtended strand (participates in β ladder)trans-101.6124.3176.7167.8170.9176.4155.10109.7L240 Y241 L243 V280 S284 V300 L301 E324L240-K282 CarbonylContact C-O 3.59Å; L240-K282 WeakPolarHBondContact CA-O 3.31Å; Y241-K282 HydrophobicContact CD2-CD 4.49Å; Y241-K282 HydrophobicContact CD2-CG 4.18Å; Y241-K282 PolarHBondContact N-O 2.85Å; Y241-K282 PolarHBondContact O-N 2.89Å; L243-K282 HydrophobicContact CD1-CB 3.94Å; L243-K282 HydrophobicContact CD1-CD 4.27Å; L243-K282 HydrophobicContact CD2-CB 4.36Å; L243-K282 HydrophobicContact CD2-CD 4.43Å; L243-K282 HydrophobicContact CG-CB 4.02Å; V280-K282 PolarHBondContact O-N 3.19Å; K282-S284 WeakPolarHBondContact CE-OG 3.13Å; K282-V300 CarbonylContact C-O 3.53Å; K282-V300 WeakPolarHBondContact CA-O 2.98Å; K282-L301 HydrophobicContact CB-CD2 3.61Å; K282-L301 HydrophobicContact CD-CD2 3.8Å; K282-L301 HydrophobicContact CG-CD2 3.66Å; K282-E324 IonicContact NZ-OE1 3.53Å; K282-E324 PolarHBondContact NZ-OE1 2.88Å
283F97.6Very high91.2Very high0 Ų065.5 Ų65.50%029%0.292CS..EExtended strand (participates in β ladder)trans-103127.8165.5-56.9-98.2000108.5L204 F206 V219 L221 V238 K239 L240 L281 Q299 V300L204-F283 HydrophobicContact CD2-CB 3.55Å; L204-F283 HydrophobicContact CD2-CD1 3.75Å; L204-F283 HydrophobicContact CD2-CD2 4.06Å; L204-F283 HydrophobicContact CD2-CE1 4.43Å; L204-F283 HydrophobicContact CD2-CG 3.53Å; F206-F283 HydrophobicContact CB-CE1 4.08Å; F206-F283 HydrophobicContact CB-CE2 4.42Å; F206-F283 HydrophobicContact CB-CZ 3.66Å; F206-F283 HydrophobicContact CD1-CD2 4.44Å; F206-F283 AromaticContact CD1-CE2 3.76Å; F206-F283 HydrophobicContact CD1-CE2 3.76Å; F206-F283 AromaticContact CD1-CZ 3.87Å; F206-F283 HydrophobicContact CD1-CZ 3.87Å; F206-F283 AromaticContact CD2-CE2 3.75Å; F206-F283 HydrophobicContact CD2-CE2 3.75Å; F206-F283 AromaticContact CD2-CZ 3.56Å; F206-F283 HydrophobicContact CD2-CZ 3.56Å; F206-F283 HydrophobicContact CE1-CD2 4.46Å; F206-F283 AromaticContact CE1-CE2 3.88Å; F206-F283 HydrophobicContact CE1-CE2 3.88Å; F206-F283 HydrophobicContact CE1-CZ 4.43Å; F206-F283 AromaticContact CE2-CE2 3.86Å; F206-F283 HydrophobicContact CE2-CE2 3.86Å; F206-F283 HydrophobicContact CE2-CZ 4.15Å; F206-F283 HydrophobicContact CG-CE1 4.24Å; F206-F283 AromaticContact CG-CE2 3.7Å; F206-F283 HydrophobicContact CG-CE2 3.7Å; F206-F283 AromaticContact CG-CZ 3.4Å; F206-F283 HydrophobicContact CG-CZ 3.4Å; F206-F283 VanDerWaalsContact CG-CZ 3.4Å; F206-F283 AromaticContact CZ-CE2 3.93Å; F206-F283 HydrophobicContact CZ-CE2 3.93Å; V219-F283 HydrophobicContact CG1-CE1 4.03Å; V219-F283 HydrophobicContact CG1-CZ 3.82Å; L221-F283 HydrophobicContact CD1-CD1 4.18Å; L221-F283 HydrophobicContact CD1-CE1 4.14Å; V238-F283 HydrophobicContact CG1-CB 4.1Å; V238-F283 HydrophobicContact CG1-CD1 3.99Å; K239-F283 CarbonylContact O-C 3.22Å; K239-F283 WeakPolarHBondContact O-CA 3.18Å; L240-F283 HydrophobicContact CD1-CD1 4.47Å; L240-F283 HydrophobicContact CD2-CD1 3.99Å; L240-F283 HydrophobicContact CD2-CE1 3.54Å; L240-F283 HydrophobicContact CD2-CZ 4.42Å; L240-F283 HydrophobicContact CG-CD1 3.71Å; L240-F283 HydrophobicContact CG-CE1 3.83Å; L281-F283 HydrophobicContact CD2-CE2 3.62Å; L281-F283 HydrophobicContact CD2-CZ 3.57Å; L281-F283 HydrophobicContact CG-CD2 4.35Å; L281-F283 HydrophobicContact CG-CE2 3.66Å; L281-F283 HydrophobicContact CG-CZ 3.91Å; F283-Q299 CarbonylContact O-C 3.54Å; F283-Q299 WeakPolarHBondContact O-CA 3.21Å; F283-Q299 WeakPolarHBondContact O-CB 3.45Å; F283-V300 HydrophobicContact CB-CB 4.28Å; F283-V300 HydrophobicContact CD2-CB 4.18Å; F283-V300 HydrophobicContact CD2-CG1 4.21Å; F283-V300 PolarHBondContact N-O 3.2Å; F283-V300 PolarHBondContact O-N 3.47Å
284S96.9Very high91.3Very high1 Ų167.3 Ų67.31%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-113.9116.3169.8-70.80000108.7V238 K239 K282 Y286V238-S284 WeakPolarHBondContact CA-O 3.26Å; K239-S284 PolarHBondContact N-O 2.88Å; K239-S284 PolarHBondContact O-N 3.03Å; K282-S284 WeakPolarHBondContact CE-OG 3.13Å; S284-Y286 VanDerWaalsContact CB-CE2 3.47Å; S284-Y286 WeakPolarHBondContact O-CD2 3.35Å
285V96.9Very high91.5Very high0 Ų063.3 Ų63.30%028%0.28CS..EExtended strand (participates in β ladder)trans-97.8120.9-177.4-1740000108.8L227 V238 L296 L297 G298 L321L227-V285 HydrophobicContact CD1-CG1 4.06Å; L227-V285 HydrophobicContact CD2-CG1 4.06Å; V238-V285 HydrophobicContact CG1-CG2 4.39Å; V238-V285 HydrophobicContact CG2-CG1 4.42Å; V238-V285 HydrophobicContact CG2-CG2 4.17Å; V285-L296 WeakPolarHBondContact O-CD1 3.37Å; V285-L297 PolarHBondContact O-N 2.83Å; V285-G298 PolarHBondContact N-O 2.93Å; V285-G298 PolarHBondContact O-N 2.97Å; V285-L321 HydrophobicContact CB-CD2 3.69Å; V285-L321 HydrophobicContact CG1-CD2 4.2Å; V285-L321 HydrophobicContact CG2-CD2 3.76Å; V285-L321 HydrophobicContact CG2-CG 4.29Å
286Y95.4Very high91.7Very high35 Ų3563.7 Ų63.714%0.13728%0.28CS..EExtended strand (participates in β ladder)trans-114.2143.3-177.8-63.3-90.2000111.3P236 L237 K239 S284 H294 Q295 L296P236-Y286 CarbonylContact C-O 3.49Å; P236-Y286 VanDerWaalsContact CA-O 3.28Å; P236-Y286 WeakPolarHBondContact CA-O 3.41Å; L237-Y286 PolarHBondContact N-O 2.81Å; L237-Y286 PolarHBondContact O-N 3.05Å; K239-Y286 HydrophobicContact CB-CE2 4.15Å; K239-Y286 HydrophobicContact CD-CD2 4.49Å; K239-Y286 HydrophobicContact CD-CE2 3.82Å; K239-Y286 HydrophobicContact CG-CD2 4.32Å; K239-Y286 HydrophobicContact CG-CE2 3.96Å; S284-Y286 VanDerWaalsContact CB-CE2 3.47Å; S284-Y286 WeakPolarHBondContact O-CD2 3.35Å; Y286-H294 HydrophobicContact CD1-CB 3.82Å; Y286-H294 HydrophobicContact CE1-CB 4.44Å; Y286-H294 HydrophobicContact CG-CB 4.25Å; Y286-Q295 CarbonylContact C-O 3.55Å; Y286-Q295 WeakPolarHBondContact CA-O 3.2Å; Y286-L296 HydrophobicContact CD1-CB 4.05Å; Y286-L296 HydrophobicContact CD1-CD1 3.99Å; Y286-L296 HydrophobicContact CD2-CD1 4.43Å; Y286-L296 HydrophobicContact CE1-CB 3.9Å; Y286-L296 HydrophobicContact CE1-CD1 3.63Å; Y286-L296 HydrophobicContact CE1-CG 4.38Å; Y286-L296 HydrophobicContact CE2-CD1 4.12Å; Y286-L296 HydrophobicContact CG-CD1 4.37Å
287H94.3Very high91.9Very high9 Ų964.2 Ų64.24%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-82.7130.8155.2173.585.2000109.4T233 S235 Q295 L297T233-H287 PolarHBondContact O-CE1 2.92Å; T233-H287 VanDerWaalsContact O-CE1 3.25Å; S235-H287 PolarHBondContact N-ND1 2.83Å; H287-Q295 PolarHBondContact N-O 3.48Å; H287-Q295 PolarHBondContact O-N 3.11Å; H287-L297 HydrophobicContact CB-CD1 4.17Å; H287-L297 HydrophobicContact CB-CD2 3.72Å; H287-L297 HydrophobicContact CB-CG 4.04Å
288V92.9Very high92.1Very high19 Ų1961.6 Ų61.612%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-100115.2170.4-175.70000108.9S235 L237 T254 R292S235-V288 WeakPolarHBondContact CB-O 3.47Å; S235-V288 PolarHBondContact O-N 3.06Å; L237-V288 HydrophobicContact CB-CG2 3.76Å; L237-V288 HydrophobicContact CD2-CG2 3.75Å; L237-V288 HydrophobicContact CG-CG2 4.4Å; T254-V288 HydrophobicContact CG2-CB 4.09Å; T254-V288 HydrophobicContact CG2-CG2 3.93Å; V288-R292 HydrophobicContact CG1-CB 4.42Å
289D88Confident92.6Very high52 Ų5258.9 Ų58.928%0.27826%0.255SS..  trans-78.6-178.9-177.478.85.3000113.2Q291 R292 K293D289-Q291 PolarHBondContact O-N 3.4Å; D289-Q291 VanDerWaalsContact OD1-C 3.23Å; D289-Q291 VanDerWaalsContact OD1-CA 3.24Å; D289-Q291 WeakPolarHBondContact OD1-CA 3.36Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.07Å; D289-Q291 PolarHBondContact OD1-N 2.8Å; D289-R292 PolarHBondContact O-N 2.95Å; D289-R292 PolarHBondContact OD1-N 3.04Å; D289-K293 PolarHBondContact N-O 2.88Å; D289-K293 PolarHBondContact OD1-N 3.4Å; D289-K293 WeakPolarHBondContact OD2-CB 3.4Å
290R85.9Confident92.9Very high244 Ų24456 Ų5692%0.92124%0.244SC*.THydrogen-bonded Turntrans-63.2-25.2177.8-62.7-174.9-174.7-177.43.7113.4R292R290-R292 VanDerWaalsContact C-N 3.31Å
291Q87.4Confident92.9Very high170 Ų17056.9 Ų56.979%0.79425%0.249SC*.THydrogen-bonded Turntrans-892.3176.9-59.4-176.9-4.400112.3D289 K293D289-Q291 PolarHBondContact O-N 3.4Å; D289-Q291 VanDerWaalsContact OD1-C 3.23Å; D289-Q291 VanDerWaalsContact OD1-CA 3.24Å; D289-Q291 WeakPolarHBondContact OD1-CA 3.36Å; D289-Q291 WeakPolarHBondContact OD1-CB 3.07Å; D289-Q291 PolarHBondContact OD1-N 2.8Å; Q291-K293 PolarHBondContact O-N 3.3Å
292R87.1Confident92.8Very high211 Ų21157.3 Ų57.380%0.79625%0.25SS*.  trans62.320.8-171.7-51.9-174.7178.5-149.43114.2V288 D289 R290 H294V288-R292 HydrophobicContact CG1-CB 4.42Å; D289-R292 PolarHBondContact O-N 2.95Å; D289-R292 PolarHBondContact OD1-N 3.04Å; R290-R292 VanDerWaalsContact C-N 3.31Å; R292-H294 PolarHBondContact O-CD2 3.47Å
293K90.1Very high92.6Very high144 Ų14456.9 Ų56.963%0.62625%0.25SS*.  trans-73.2137.9168.1-170.4-179.3176.8-177.20108.5D289 Q291D289-K293 PolarHBondContact N-O 2.88Å; D289-K293 PolarHBondContact OD1-N 3.4Å; D289-K293 WeakPolarHBondContact OD2-CB 3.4Å; Q291-K293 PolarHBondContact O-N 3.3Å
294H92.9Very high92.2Very high77 Ų7756.9 Ų56.936%0.35625%0.25SS..EExtended strand (participates in β ladder)trans-90.7121.5176-68.5-154000108.8L237 Y286 R292L237-H294 WeakPolarHBondContact CD2-CE1 3.41Å; Y286-H294 HydrophobicContact CD1-CB 3.82Å; Y286-H294 HydrophobicContact CE1-CB 4.44Å; Y286-H294 HydrophobicContact CG-CB 4.25Å; R292-H294 PolarHBondContact O-CD2 3.47Å
295Q92.6Very high91.5Very high92 Ų9259.9 Ų59.943%0.4326%0.263SS..EExtended strand (participates in β ladder)trans-109.8124.1170.9-179.1171.428.700108.6Y286 H287Y286-Q295 CarbonylContact C-O 3.55Å; Y286-Q295 WeakPolarHBondContact CA-O 3.2Å; H287-Q295 PolarHBondContact N-O 3.48Å; H287-Q295 PolarHBondContact O-N 3.11Å
296L93.3Very high90.2Very high48 Ų4865.1 Ų65.125%0.25129%0.291SS..EExtended strand (participates in β ladder)trans-70133.3177.9-171.674.8000109.8V285 Y286 E324V285-L296 WeakPolarHBondContact O-CD1 3.37Å; Y286-L296 HydrophobicContact CD1-CB 4.05Å; Y286-L296 HydrophobicContact CD1-CD1 3.99Å; Y286-L296 HydrophobicContact CD2-CD1 4.43Å; Y286-L296 HydrophobicContact CE1-CB 3.9Å; Y286-L296 HydrophobicContact CE1-CD1 3.63Å; Y286-L296 HydrophobicContact CE1-CG 4.38Å; Y286-L296 HydrophobicContact CE2-CD1 4.12Å; Y286-L296 HydrophobicContact CG-CD1 4.37Å; L296-E324 HydrophobicContact CD2-CB 3.42Å; L296-E324 VanDerWaalsContact CD2-CB 3.42Å; L296-E324 HydrophobicContact CD2-CG 4.25Å; L296-E324 VanDerWaalsContact CD2-OE2 3.26Å; L296-E324 WeakPolarHBondContact CD2-OE2 3.5Å
297L93.4Very high88.7Confident17 Ų1770.7 Ų70.79%0.08932%0.318CS..EExtended strand (participates in β ladder)trans-95.1-39.3171.1-56.8-173.5000111L227 Q228 A229 V285 H287L227-L297 HydrophobicContact CB-CD1 4.28Å; Q228-L297 WeakPolarHBondContact O-CD2 3.41Å; A229-L297 HydrophobicContact CB-CD2 4.5Å; V285-L297 PolarHBondContact O-N 2.83Å; H287-L297 HydrophobicContact CB-CD1 4.17Å; H287-L297 HydrophobicContact CB-CD2 3.72Å; H287-L297 HydrophobicContact CB-CG 4.04Å
298G94.3Very high87.3Confident1 Ų171.4 Ų71.41%0.0132%0.323CS..EExtended strand (participates in β ladder)trans175-177.5175.500000112V285 E322V285-G298 PolarHBondContact N-O 2.93Å; V285-G298 PolarHBondContact O-N 2.97Å; G298-E322 CarbonylContact C-O 3.39Å; G298-E322 VanDerWaalsContact CA-O 3.26Å; G298-E322 WeakPolarHBondContact CA-O 3.26Å
299Q94.8Very high86.4Confident14 Ų1472.1 Ų72.17%0.06533%0.326CS..EExtended strand (participates in β ladder)trans-137.2155.7-178.560.8175.6-1800112.7F283 E322 E324F283-Q299 CarbonylContact O-C 3.54Å; F283-Q299 WeakPolarHBondContact O-CA 3.21Å; F283-Q299 WeakPolarHBondContact O-CB 3.45Å; Q299-E322 PolarHBondContact N-O 3.12Å; Q299-E322 PolarHBondContact O-N 3.48Å; Q299-E324 PolarHBondContact OE1-OE1 2.68Å
300V94.7Very high85.3Confident4 Ų474.6 Ų74.62%0.02434%0.343CS..EExtended strand (participates in β ladder)trans-120.8129.6168.6172.10000107.9L204 F206 K282 F283 R319L204-V300 HydrophobicContact CB-CG2 4.2Å; L204-V300 HydrophobicContact CD2-CG2 4.2Å; F206-V300 HydrophobicContact CE1-CG1 4.16Å; K282-V300 CarbonylContact C-O 3.53Å; K282-V300 WeakPolarHBondContact CA-O 2.98Å; F283-V300 HydrophobicContact CB-CB 4.28Å; F283-V300 HydrophobicContact CD2-CB 4.18Å; F283-V300 HydrophobicContact CD2-CG1 4.21Å; F283-V300 PolarHBondContact N-O 3.2Å; F283-V300 PolarHBondContact O-N 3.47Å; V300-R319 HydrophobicContact CB-CB 4.44Å; V300-R319 HydrophobicContact CG1-CB 3.55Å; V300-R319 HydrophobicContact CG1-CG 3.86Å; V300-R319 HydrophobicContact CG2-CB 3.99Å
301L92.7Very high84.3Confident32 Ų3265.1 Ų65.117%0.16832%0.322CS..EExtended strand (participates in β ladder)trans-109.3120.7169.6-58.8-172.5000109.4L243 V280 K282 R354 V397L243-L301 HydrophobicContact CD1-CD2 4.26Å; V280-L301 HydrophobicContact CG1-CB 3.95Å; K282-L301 HydrophobicContact CB-CD2 3.61Å; K282-L301 HydrophobicContact CD-CD2 3.8Å; K282-L301 HydrophobicContact CG-CD2 3.66Å; L301-R354 VanDerWaalsContact CD1-NH1 3.34Å; L301-V397 HydrophobicContact CD1-CG2 3.9Å
302F92.5Very high83.2Confident9 Ų963.6 Ų63.64%0.03932%0.319CS..EExtended strand (participates in β ladder)trans-121.9101.4-179.6-173.8-100.4000111.2F206 V208 L281 L304 T308 I317F206-F302 HydrophobicContact CE2-CB 4.32Å; F206-F302 HydrophobicContact CE2-CD1 4.06Å; F206-F302 HydrophobicContact CE2-CD2 4.31Å; F206-F302 AromaticContact CE2-CG 3.95Å; F206-F302 HydrophobicContact CE2-CG 3.95Å; F206-F302 HydrophobicContact CZ-CB 3.97Å; F206-F302 HydrophobicContact CZ-CD1 4.39Å; F206-F302 AromaticContact CZ-CD2 3.89Å; F206-F302 HydrophobicContact CZ-CD2 3.89Å; F206-F302 AromaticContact CZ-CG 3.8Å; F206-F302 HydrophobicContact CZ-CG 3.8Å; V208-F302 HydrophobicContact CG1-CD1 4.46Å; V208-F302 HydrophobicContact CG1-CE1 4.35Å; V208-F302 HydrophobicContact CG2-CE1 4.15Å; L281-F302 HydrophobicContact CB-CB 4.41Å; L281-F302 PolarHBondContact N-O 2.83Å; L281-F302 PolarHBondContact O-N 2.87Å; F302-L304 HydrophobicContact CD1-CD2 3.77Å; F302-L304 HydrophobicContact CE1-CD2 3.83Å; F302-L304 PolarHBondContact O-N 2.86Å; F302-T308 HydrophobicContact CE1-CG2 4.38Å; F302-T308 HydrophobicContact CZ-CG2 3.72Å; F302-I317 HydrophobicContact CE1-CD1 3.92Å; F302-I317 HydrophobicContact CE2-CD1 3.66Å; F302-I317 HydrophobicContact CE2-CG2 4.06Å; F302-I317 HydrophobicContact CZ-CD1 3.23Å
303P90.9Very high82.4Confident16 Ų1658.2 Ų58.210%0.10431%0.312CS..EExtended strand (participates in β ladder)trans-66.6128173.8-22.135.1000111.3V280 K305 V397V280-P303 HydrophobicContact CG2-CB 4.4Å; V280-P303 HydrophobicContact CG2-CG 4.41Å; P303-K305 VanDerWaalsContact C-N 3.32Å; P303-K305 HydrophobicContact CB-CG 4.4Å; P303-K305 PolarHBondContact O-N 2.89Å; P303-V397 HydrophobicContact CG-CB 4.03Å; P303-V397 HydrophobicContact CG-CG1 3.42Å; P303-V397 VanDerWaalsContact CG-CG1 3.42Å
304L90Very high82.1Confident0 Ų056.7 Ų56.70%030%0.303CS..  trans-85.372-177.8-63.8170.2000109.9V208 L217 L242 I276 T277 R279 L281 F302 L309V208-L304 HydrophobicContact CG1-CD2 4.31Å; L217-L304 HydrophobicContact CD1-CD1 4.23Å; L217-L304 HydrophobicContact CD1-CD2 4.26Å; L217-L304 HydrophobicContact CD2-CD1 3.53Å; L242-L304 HydrophobicContact CD1-CD1 3.69Å; I276-L304 HydrophobicContact CD1-CD1 3.62Å; T277-L304 CarbonylContact C-O 3.57Å; T277-L304 WeakPolarHBondContact CA-O 3.49Å; R279-L304 HydrophobicContact CB-CD1 4.11Å; R279-L304 PolarHBondContact O-N 2.88Å; L281-L304 HydrophobicContact CB-CD1 4.39Å; L281-L304 HydrophobicContact CB-CD2 4.47Å; L281-L304 HydrophobicContact CB-CG 4.45Å; F302-L304 HydrophobicContact CD1-CD2 3.77Å; F302-L304 HydrophobicContact CE1-CD2 3.83Å; F302-L304 PolarHBondContact O-N 2.86Å; L304-L309 HydrophobicContact CB-CD1 4.33Å; L304-L309 HydrophobicContact CD2-CD2 4.41Å
305K82.1Confident81.9Confident64 Ų6457.8 Ų57.828%0.27830%0.304SS..  trans-77.2155178.1-63-173.3176.8-171.80111.3P303 E307 T308 Y398 N399P303-K305 VanDerWaalsContact C-N 3.32Å; P303-K305 HydrophobicContact CB-CG 4.4Å; P303-K305 PolarHBondContact O-N 2.89Å; K305-E307 VanDerWaalsContact C-N 3.31Å; K305-E307 PolarHBondContact O-N 2.89Å; K305-T308 PolarHBondContact N-OG1 2.99Å; K305-T308 WeakPolarHBondContact O-CB 3.37Å; K305-T308 PolarHBondContact O-N 2.85Å; K305-T308 PolarHBondContact O-OG1 3.05Å; K305-Y398 WeakPolarHBondContact CE-O 3.38Å; K305-Y398 PolarHBondContact NZ-O 2.72Å; K305-N399 PolarHBondContact NZ-O 2.91Å
306N69.2Low81.9Confident109 Ų10957.7 Ų57.758%0.58331%0.309SS*.Hα-helixtrans-43.1-55177.5-76.17.5000112.5T277 T308 L309 V310T277-N306 WeakPolarHBondContact CG2-OD1 3.4Å; N306-T308 PolarHBondContact O-N 3.47Å; N306-L309 CarbonylContact O-C 3.52Å; N306-L309 WeakPolarHBondContact O-CA 3.24Å; N306-L309 PolarHBondContact O-N 3.42Å; N306-V310 WeakPolarHBondContact O-CG2 3.18Å; N306-V310 PolarHBondContact O-N 2.87Å
307E63.5Low81.8Confident152 Ų15256.2 Ų56.271%0.7130%0.301SS*.Hα-helixtrans-54-23.6-179.2-63.3166.3-169.500114.7K305 R315K305-E307 VanDerWaalsContact C-N 3.31Å; K305-E307 PolarHBondContact O-N 2.89Å; E307-R315 VanDerWaalsContact O-CZ 3.25Å; E307-R315 PolarHBondContact O-NH1 3.1Å; E307-R315 PolarHBondContact O-NH2 2.62Å
308T64.9Low81.8Confident25 Ų2559.3 Ų59.315%0.15331%0.312CS..Hα-helixtrans-85-18.8177.868.90000113.5F302 K305 N306F302-T308 HydrophobicContact CE1-CG2 4.38Å; F302-T308 HydrophobicContact CZ-CG2 3.72Å; K305-T308 PolarHBondContact N-OG1 2.99Å; K305-T308 WeakPolarHBondContact O-CB 3.37Å; K305-T308 PolarHBondContact O-N 2.85Å; K305-T308 PolarHBondContact O-OG1 3.05Å; N306-T308 PolarHBondContact O-N 3.47Å
309L73.9Confident81.8Confident33 Ų3364.4 Ų64.417%0.17333%0.331CS..Hα-helixtrans-115.95.3-178.3-55-179.6000112.8V208 Y210 L217 I276 L304 N306 G311V208-L309 HydrophobicContact CG2-CD2 4.42Å; Y210-L309 HydrophobicContact CG-CD1 4.41Å; L217-L309 HydrophobicContact CD1-CD2 4.36Å; I276-L309 HydrophobicContact CG1-CD1 3.65Å; I276-L309 HydrophobicContact CG2-CD1 4.34Å; L304-L309 HydrophobicContact CB-CD1 4.33Å; L304-L309 HydrophobicContact CD2-CD2 4.41Å; N306-L309 CarbonylContact O-C 3.52Å; N306-L309 WeakPolarHBondContact O-CA 3.24Å; N306-L309 PolarHBondContact O-N 3.42Å; L309-G311 PolarHBondContact O-N 2.87Å
310V66.1Low81.7Confident104 Ų10466.3 Ų66.363%0.6334%0.341SS*.  trans-71.7124.3174.5163.30000109.8N306 R315N306-V310 WeakPolarHBondContact O-CG2 3.18Å; N306-V310 PolarHBondContact O-N 2.87Å; V310-R315 PolarHBondContact O-NH2 2.72Å
311G64.1Low81.6Confident46 Ų4666.5 Ų66.547%0.47434%0.342SS..SBendtrans91.4131.3-174.400000111.6L309 C313L309-G311 PolarHBondContact O-N 2.87Å; G311-C313 PolarHBondContact O-N 3.18Å
312D63.5Low81.6Confident138 Ų13867.4 Ų67.474%0.73835%0.346SS*.SBendtrans-73.556.3175.1-55-59000110.7
313C71Confident81.4Confident97 Ų9770.2 Ų70.266%0.65537%0.371SS*.SBendtrans-141.5117.8-171.7-71.80000110.2G311 R315G311-C313 PolarHBondContact O-N 3.18Å; C313-R315 PolarHBondContact O-N 3.3Å
314R83.9Confident81Confident113 Ų11372.9 Ų72.943%0.42638%0.382SS..  trans-43.3103.3170.9-170177.2176-171.20.7114.2S207 E209 H266S207-R314 PolarHBondContact OG-NE 3.09Å; S207-R314 PolarHBondContact OG-NH2 3.1Å; S207-R314 VanDerWaalsContact OG-NH2 3.17Å; E209-R314 HydrophobicContact CB-CB 4.47Å; E209-R314 PolarHBondContact OE1-N 3.05Å; E209-R314 WeakPolarHBondContact OE2-CB 3.42Å; H266-R314 VanDerWaalsContact CE1-CZ 3.5Å; H266-R314 PolarHBondContact CE1-NH1 3.07Å; H266-R314 PolarHBondContact CE1-NH2 3.32Å; H266-R314 VanDerWaalsContact CE1-NH2 3.35Å
315R88.3Confident80.1Confident100 Ų10075.3 Ų75.338%0.37740%0.398SS..EExtended strand (participates in β ladder)trans-90.5122.9177.3-170.9179.5-60.4-170.110.8111S207 V208 E307 V310 C313 I317S207-R315 CarbonylContact C-O 3.52Å; S207-R315 WeakPolarHBondContact CA-O 3.48Å; S207-R315 WeakPolarHBondContact CB-O 3.43Å; V208-R315 PolarHBondContact N-O 2.88Å; V208-R315 PolarHBondContact O-N 2.99Å; E307-R315 VanDerWaalsContact O-CZ 3.25Å; E307-R315 PolarHBondContact O-NH1 3.1Å; E307-R315 PolarHBondContact O-NH2 2.62Å; V310-R315 PolarHBondContact O-NH2 2.72Å; C313-R315 PolarHBondContact O-N 3.3Å; R315-I317 HydrophobicContact CG-CD1 4.36Å; R315-I317 HydrophobicContact CG-CG1 4.05Å
316V92.1Very high79.5Confident89 Ų8980.4 Ų80.454%0.53943%0.428SS..EExtended strand (participates in β ladder)trans-84.4136.3171.2-179.90000110.1I222I222-V316 HydrophobicContact CD1-CG1 3.81Å; I222-V316 HydrophobicContact CD1-CG2 4.08Å
317I92.8Very high79.8Confident18 Ų1881.7 Ų81.79%0.09243%0.43CS..EExtended strand (participates in β ladder)trans-141.7138.1-174-53.4-177.3000108.8W205 F206 V208 F302 R315W205-I317 WeakPolarHBondContact CA-O 3.12Å; F206-I317 HydrophobicContact CE1-CG2 4.45Å; F206-I317 HydrophobicContact CE2-CB 4.13Å; F206-I317 HydrophobicContact CE2-CD1 4.48Å; F206-I317 HydrophobicContact CE2-CG2 4.4Å; F206-I317 HydrophobicContact CZ-CB 4.13Å; F206-I317 HydrophobicContact CZ-CG2 3.96Å; F206-I317 PolarHBondContact N-O 3.19Å; F206-I317 PolarHBondContact O-N 3.48Å; V208-I317 HydrophobicContact CG2-CD1 3.78Å; F302-I317 HydrophobicContact CE1-CD1 3.92Å; F302-I317 HydrophobicContact CE2-CD1 3.66Å; F302-I317 HydrophobicContact CE2-CG2 4.06Å; F302-I317 HydrophobicContact CZ-CD1 3.23Å; R315-I317 HydrophobicContact CG-CD1 4.36Å; R315-I317 HydrophobicContact CG-CG1 4.05Å
318W93.3Very high80.3Confident81 Ų8179.7 Ų79.731%0.30743%0.431SS..EExtended strand (participates in β ladder)trans-112.7147.8169.160.7-104.7000111.9R203 L204 W205R203-W318 HydrophobicContact CG-CB 4.28Å; R203-W318 HydrophobicContact CG-CE3 4.32Å; L204-W318 CarbonylContact O-C 3.6Å; L204-W318 VanDerWaalsContact O-CA 3.27Å; L204-W318 WeakPolarHBondContact O-CA 3.02Å; W205-W318 HydrophobicContact CD2-CB 4.02Å; W205-W318 HydrophobicContact CG-CB 3.98Å
319R93.1Very high81.1Confident109 Ų10981.6 Ų81.641%0.41144%0.443SS..EExtended strand (participates in β ladder)trans-146.7140.9174.2-69.8-63.8176.1-106.510.4111L204 F206 V300L204-R319 PolarHBondContact N-O 3.17Å; L204-R319 PolarHBondContact O-N 3.05Å; F206-R319 HydrophobicContact CE1-CB 4.39Å; F206-R319 HydrophobicContact CE1-CG 4.14Å; F206-R319 HydrophobicContact CZ-CG 4.35Å; V300-R319 HydrophobicContact CB-CB 4.44Å; V300-R319 HydrophobicContact CG1-CB 3.55Å; V300-R319 HydrophobicContact CG1-CG 3.86Å; V300-R319 HydrophobicContact CG2-CB 3.99Å
320D93Very high81.7Confident53 Ų5381.9 Ų81.928%0.28345%0.448SS..EExtended strand (participates in β ladder)trans-71.3144.8171.6-59.1-36.5000110.7R203R203-D320 IonicContact CZ-OD1 2.68Å; R203-D320 IonicContact NE-OD1 3.87Å; R203-D320 PolarHBondContact NE-OD1 3.08Å; R203-D320 IonicContact NH2-OD1 2.77Å; R203-D320 PolarHBondContact NH2-OD1 3.43Å; R203-D320 VanDerWaalsContact NH2-OD1 3.12Å; R203-D320 IonicContact NH2-OD2 3.8Å
321L93.6Very high82.7Confident8 Ų882.3 Ų82.34%0.04244%0.443CS..PPolyproline II helixtrans-72.7127.8174.9-81.879.8000109.8L201 G202 L204 L227 V285L201-L321 HydrophobicContact CB-CB 3.86Å; G202-L321 VanDerWaalsContact C-CD1 3.45Å; G202-L321 VanDerWaalsContact O-CD1 3.24Å; G202-L321 WeakPolarHBondContact O-CD1 3.49Å; G202-L321 PolarHBondContact O-N 3.41Å; L204-L321 HydrophobicContact CB-CD1 4.11Å; L227-L321 HydrophobicContact CD2-CD1 4Å; L227-L321 HydrophobicContact CD2-CD2 3.85Å; V285-L321 HydrophobicContact CB-CD2 3.69Å; V285-L321 HydrophobicContact CG1-CD2 4.2Å; V285-L321 HydrophobicContact CG2-CD2 3.76Å; V285-L321 HydrophobicContact CG2-CG 4.29Å
322E90.9Very high83.9Confident52 Ų5281.5 Ų81.524%0.24343%0.427CS..BIsolated β-bridgetrans-95.5146.9169.3-62.7-167.9122.200111.1G298 Q299 R354 K463G298-E322 CarbonylContact C-O 3.39Å; G298-E322 VanDerWaalsContact CA-O 3.26Å; G298-E322 WeakPolarHBondContact CA-O 3.26Å; Q299-E322 PolarHBondContact N-O 3.12Å; Q299-E322 PolarHBondContact O-N 3.48Å; E322-R354 IonicContact OE1-NH2 3.69Å; E322-R354 IonicContact OE2-CZ 3.12Å; E322-R354 IonicContact OE2-NH1 2.72Å; E322-R354 PolarHBondContact OE2-NH1 2.81Å; E322-R354 IonicContact OE2-NH2 2.71Å; E322-R354 PolarHBondContact OE2-NH2 2.93Å; E322-K463 IonicContact OE1-NZ 3.71Å; E322-K463 PolarHBondContact OE1-NZ 3.05Å
323A88.4Confident85.3Confident68 Ų6875 Ų7556%0.56239%0.392SS*.PPolyproline II helixtrans-61.5140.1169.400000110.2L201L201-A323 HydrophobicContact CD1-CB 3.93Å; L201-A323 VanDerWaalsContact CD1-N 3.32Å
324E82.9Confident86.4Confident72 Ų7270.8 Ų70.834%0.33636%0.363SS..PPolyproline II helixtrans-77.1129.5164.1-168.4157.4-113.600108.7K282 L296 Q299 L326K282-E324 IonicContact NZ-OE1 3.53Å; K282-E324 PolarHBondContact NZ-OE1 2.88Å; L296-E324 HydrophobicContact CD2-CB 3.42Å; L296-E324 VanDerWaalsContact CD2-CB 3.42Å; L296-E324 HydrophobicContact CD2-CG 4.25Å; L296-E324 VanDerWaalsContact CD2-OE2 3.26Å; L296-E324 WeakPolarHBondContact CD2-OE2 3.5Å; Q299-E324 PolarHBondContact OE1-OE1 2.68Å; E324-L326 PolarHBondContact O-N 3.09Å; E324-L326 VanDerWaalsContact O-N 3.09Å
325S72.3Confident86.9Confident50 Ų5065.4 Ų65.435%0.3534%0.343SS..  trans-67.5109.5179.9179.10000109E327 K356S325-E327 PolarHBondContact O-N 3.34Å; S325-K356 PolarHBondContact OG-NZ 2.89Å
326L68.3Low87.3Confident172 Ų17261.1 Ų61.190%0.90133%0.327SS*.  trans-73.2-16.8177-60.4179.5000112.7E324E324-L326 PolarHBondContact O-N 3.09Å; E324-L326 VanDerWaalsContact O-N 3.09Å
327E74.9Confident87.5Confident136 Ų13656.9 Ų56.964%0.63630%0.301SS*.SBendtrans-70128.3174.3-67.1-177.1163.900110.5S325 K356S325-E327 PolarHBondContact O-N 3.34Å; E327-K356 PolarHBondContact O-NZ 3.1Å
328P75.8Confident87.8Confident110 Ų11056.5 Ų56.571%0.71430%0.3SS*.PPolyproline II helixtrans-57.9143.9173.627.4-34.4000109.3
329P80.3Confident87.9Confident64 Ų6452.6 Ų52.642%0.41629%0.285SS..PPolyproline II helixtrans-56.8144.8178-24.233.9000112.3D334 K356P329-D334 VanDerWaalsContact CA-OD2 3.27Å; P329-D334 WeakPolarHBondContact CA-OD2 3.49Å; P329-K356 HydrophobicContact CB-CG 4.44Å; P329-K356 HydrophobicContact CG-CD 4.43Å; P329-K356 HydrophobicContact CG-CG 4.42Å
330S88.1Confident88.1Confident39 Ų3947.9 Ų47.927%0.27327%0.269SS..PPolyproline II helixtrans-57.7165.9172.8-65.70000112F332 G333 D334 A467S330-F332 VanDerWaalsContact C-N 3.27Å; S330-F332 PolarHBondContact O-N 2.73Å; S330-F332 VanDerWaalsContact O-N 3.1Å; S330-G333 WeakPolarHBondContact O-CA 3.47Å; S330-G333 PolarHBondContact O-N 2.67Å; S330-D334 WeakPolarHBondContact CB-OD1 3.29Å; S330-D334 PolarHBondContact N-OD2 3.05Å; S330-D334 PolarHBondContact OG-OD1 3.13Å; S330-A467 VanDerWaalsContact OG-CB 3.27Å; S330-A467 WeakPolarHBondContact OG-CB 3.46Å
331E86.6Confident88.2Confident113 Ų11345.5 Ų45.553%0.52826%0.256SS..THydrogen-bonded Turntrans-52.4-41-171.8-168.8-174.5178.600114.1R359E331-R359 WeakPolarHBondContact O-CD 3.49Å; E331-R359 PolarHBondContact O-NE 3.16Å; E331-R359 IonicContact OE1-NH1 2.75Å; E331-R359 PolarHBondContact OE1-NH1 3.28Å
332F88.8Confident88.3Confident30 Ų3046.3 Ų46.313%0.13226%0.26CS..THydrogen-bonded Turntrans-103.113.7178.6-54.7-80.2000112.8S330 L468 R470S330-F332 VanDerWaalsContact C-N 3.27Å; S330-F332 PolarHBondContact O-N 2.73Å; S330-F332 VanDerWaalsContact O-N 3.1Å; F332-L468 HydrophobicContact CB-CB 4Å; F332-L468 WeakPolarHBondContact CD2-O 3.37Å; F332-L468 WeakPolarHBondContact O-CD1 3.47Å; F332-R470 HydrophobicContact CD1-CG 4.45Å; F332-R470 HydrophobicContact CE1-CG 3.82Å; F332-R470 HydrophobicContact CE2-CB 4.22Å; F332-R470 HydrophobicContact CE2-CG 3.99Å; F332-R470 HydrophobicContact CZ-CB 4.3Å; F332-R470 HydrophobicContact CZ-CG 3.58Å
333G92.6Very high88.3Confident0 Ų047.7 Ų47.70%027%0.269CS..  trans83.7177.4-168.200000113.3S330 K356 G357 L468S330-G333 WeakPolarHBondContact O-CA 3.47Å; S330-G333 PolarHBondContact O-N 2.67Å; G333-K356 CarbonylContact C-O 3.55Å; G333-K356 WeakPolarHBondContact CA-O 2.87Å; G333-G357 WeakPolarHBondContact CA-O 3.36Å; G333-G357 PolarHBondContact N-O 3.27Å; G333-L468 WeakPolarHBondContact O-CB 3.18Å; G333-L468 PolarHBondContact O-N 3.01Å
334D93.8Very high88.5Confident10 Ų1053.4 Ų53.45%0.05328%0.278CS..EExtended strand (participates in β ladder)trans-122.5147.3176.7-55.2-79.6000110.3P329 S330 A355 K356 W465 H466 A467P329-D334 VanDerWaalsContact CA-OD2 3.27Å; P329-D334 WeakPolarHBondContact CA-OD2 3.49Å; S330-D334 WeakPolarHBondContact CB-OD1 3.29Å; S330-D334 PolarHBondContact N-OD2 3.05Å; S330-D334 PolarHBondContact OG-OD1 3.13Å; D334-A355 CarbonylContact O-C 3.57Å; D334-A355 WeakPolarHBondContact O-CA 3.14Å; D334-A355 WeakPolarHBondContact O-CB 3.47Å; D334-K356 HydrophobicContact CB-CG 4.01Å; D334-K356 PolarHBondContact N-O 3.12Å; D334-K356 PolarHBondContact O-N 3.26Å; D334-K356 WeakPolarHBondContact OD2-CE 3.16Å; D334-K356 IonicContact OD2-NZ 3.06Å; D334-W465 HydrophobicContact CB-CE3 3.73Å; D334-W465 HydrophobicContact CB-CZ3 4.14Å; D334-H466 CarbonylContact C-O 3.57Å; D334-H466 VanDerWaalsContact CA-O 3.27Å; D334-H466 WeakPolarHBondContact CA-O 3.14Å; D334-A467 WeakPolarHBondContact OD1-CA 3.5Å
335L95.9Very high89Confident0 Ų054.5 Ų54.50%029%0.286CS..EExtended strand (participates in β ladder)trans-114.2129.3176.4-174.969.1000110.2F337 V352 A355 V371 L418 V420 V435 H466 L468L335-F337 HydrophobicContact CD2-CD1 4.11Å; L335-F337 HydrophobicContact CD2-CE1 4.5Å; L335-F337 HydrophobicContact CG-CD1 4.13Å; L335-V352 HydrophobicContact CD1-CG1 4.3Å; L335-A355 HydrophobicContact CD1-CB 3.96Å; L335-V371 HydrophobicContact CD1-CG2 4.09Å; L335-V371 HydrophobicContact CD2-CG1 4.2Å; L335-L418 HydrophobicContact CD2-CB 3.79Å; L335-L418 HydrophobicContact CD2-CD2 3.91Å; L335-V420 HydrophobicContact CD1-CG2 4.39Å; L335-V420 HydrophobicContact CD2-CG2 4.45Å; L335-V435 HydrophobicContact CD2-CG1 4.17Å; L335-H466 PolarHBondContact N-O 3.48Å; L335-H466 PolarHBondContact O-N 2.85Å; L335-L468 HydrophobicContact CB-CD2 4Å; L335-L468 HydrophobicContact CB-CG 4.33Å
336Q95.8Very high90Very high9 Ų953.3 Ų53.34%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-101.6126.9172.2-153.3179.615.100110.3L353 R354 K463 R464 W465Q336-L353 HydrophobicContact CB-CB 4.37Å; Q336-L353 HydrophobicContact CG-CD1 4.18Å; Q336-L353 WeakPolarHBondContact O-CB 3.49Å; Q336-L353 PolarHBondContact O-N 3.12Å; Q336-R354 HydrophobicContact CB-CG 4.12Å; Q336-R354 PolarHBondContact N-O 3.48Å; Q336-R354 PolarHBondContact O-N 3.4Å; Q336-R354 VanDerWaalsContact OE1-CZ 3.23Å; Q336-K463 HydrophobicContact CG-CG 4.32Å; Q336-R464 WeakPolarHBondContact CA-O 3.46Å; Q336-R464 WeakPolarHBondContact CG-O 3.44Å; Q336-W465 HydrophobicContact CB-CD2 3.64Å; Q336-W465 HydrophobicContact CB-CE3 3.58Å; Q336-W465 HydrophobicContact CB-CG 4.32Å; Q336-W465 HydrophobicContact CB-CH2 3.93Å; Q336-W465 HydrophobicContact CB-CZ2 3.99Å; Q336-W465 HydrophobicContact CB-CZ3 3.71Å; Q336-W465 VanDerWaalsContact CD-CE2 3.44Å; Q336-W465 HydrophobicContact CG-CD2 3.74Å; Q336-W465 HydrophobicContact CG-CE3 4.22Å; Q336-W465 HydrophobicContact CG-CG 3.98Å; Q336-W465 HydrophobicContact CG-CZ2 4.26Å
337F97.4Very high91.3Very high0 Ų049.4 Ų49.40%025%0.25CS..EExtended strand (participates in β ladder)trans-148159.3173.360.4-84.2000111.1L335 L339 V350 V351 L418 V435 V437 H450 R464 H466L335-F337 HydrophobicContact CD2-CD1 4.11Å; L335-F337 HydrophobicContact CD2-CE1 4.5Å; L335-F337 HydrophobicContact CG-CD1 4.13Å; F337-L339 HydrophobicContact CD2-CD2 4.02Å; F337-L339 HydrophobicContact CD2-CG 4.09Å; F337-L339 HydrophobicContact CE2-CD1 4.17Å; F337-L339 HydrophobicContact CE2-CD2 3.95Å; F337-L339 HydrophobicContact CE2-CG 3.9Å; F337-V350 HydrophobicContact CD2-CG1 4.37Å; F337-V351 CarbonylContact C-O 3.52Å; F337-V351 WeakPolarHBondContact CA-O 3.37Å; F337-V351 VanDerWaalsContact CB-O 3.25Å; F337-V351 WeakPolarHBondContact CB-O 3.35Å; F337-L418 HydrophobicContact CB-CD2 4.19Å; F337-L418 HydrophobicContact CD1-CD2 3.81Å; F337-L418 HydrophobicContact CD2-CD1 4.43Å; F337-L418 HydrophobicContact CD2-CD2 4.04Å; F337-L418 HydrophobicContact CE1-CD1 4.25Å; F337-L418 HydrophobicContact CE1-CD2 4.15Å; F337-L418 HydrophobicContact CE2-CD1 3.98Å; F337-L418 HydrophobicContact CE2-CD2 4.37Å; F337-L418 HydrophobicContact CG-CD2 3.75Å; F337-L418 HydrophobicContact CZ-CD1 3.88Å; F337-L418 HydrophobicContact CZ-CD2 4.42Å; F337-V435 HydrophobicContact CE1-CG1 3.9Å; F337-V435 HydrophobicContact CZ-CG1 4.42Å; F337-V437 HydrophobicContact CE2-CG1 4.35Å; F337-V437 HydrophobicContact CE2-CG2 4.2Å; F337-V437 HydrophobicContact CZ-CG1 3.81Å; F337-V437 HydrophobicContact CZ-CG2 4.32Å; F337-H450 AromaticContact CD2-CE1 2.87Å; F337-H450 WeakPolarHBondContact CD2-CE1 3.43Å; F337-H450 AromaticContact CE2-CE1 2.93Å; F337-H450 WeakPolarHBondContact CE2-CE1 3.44Å; F337-H450 AromaticContact CE2-ND1 3.58Å; F337-H450 AromaticContact CG-CE1 3.57Å; F337-H450 AromaticContact CZ-CE1 3.68Å; F337-H450 AromaticContact CZ-ND1 3.88Å; F337-H450 PolarHBondContact O-CE1 2.93Å; F337-R464 PolarHBondContact N-O 2.96Å; F337-R464 PolarHBondContact O-N 2.96Å; F337-H466 HydrophobicContact CE1-CB 4.27Å; F337-H466 AromaticContact CE1-CD2 3.28Å; F337-H466 WeakPolarHBondContact CE1-CD2 3.21Å; F337-H466 AromaticContact CZ-CD2 3.42Å; F337-H466 VanDerWaalsContact CZ-CD2 3.42Å; F337-H466 WeakPolarHBondContact CZ-CD2 3.37Å; F337-H466 AromaticContact CZ-NE2 3.77Å
338C97.3Very high92.3Very high10 Ų1043 Ų437%0.06822%0.22CC..EExtended strand (participates in β ladder)trans-104.5150.1170.6-50.20000111.1V350 V351 L461 V462C338-V350 WeakPolarHBondContact O-CA 3.44Å; C338-V351 HydrophobicContact CB-CB 4.03Å; C338-V351 HydrophobicContact CB-CG2 4.38Å; C338-V351 PolarHBondContact N-O 3.08Å; C338-V351 PolarHBondContact O-N 3.4Å; C338-L461 HydrophobicContact CB-CB 4.2Å; C338-L461 HydrophobicContact CB-CD2 3.79Å; C338-V462 CarbonylContact C-O 3.45Å; C338-V462 WeakPolarHBondContact CA-O 3.27Å
339L97.1Very high93.3Very high0 Ų038.8 Ų38.80%019%0.193CC..EExtended strand (participates in β ladder)trans-121.6143.4169.1-65.4180000109.5F337 T349 V350 L416 V437 H450 W451 M454 V462F337-L339 HydrophobicContact CD2-CD2 4.02Å; F337-L339 HydrophobicContact CD2-CG 4.09Å; F337-L339 HydrophobicContact CE2-CD1 4.17Å; F337-L339 HydrophobicContact CE2-CD2 3.95Å; F337-L339 HydrophobicContact CE2-CG 3.9Å; L339-T349 WeakPolarHBondContact CA-O 3.14Å; L339-V350 HydrophobicContact CD2-CB 4.4Å; L339-V350 HydrophobicContact CD2-CG1 4.14Å; L339-V350 HydrophobicContact CD2-CG2 3.93Å; L339-L416 HydrophobicContact CD2-CD1 3.65Å; L339-V437 HydrophobicContact CD1-CG2 4.02Å; L339-H450 PolarHBondContact N-NE2 3.07Å; L339-H450 VanDerWaalsContact N-NE2 3.13Å; L339-W451 HydrophobicContact CD1-CE3 4.38Å; L339-M454 HydrophobicContact CB-CB 4.01Å; L339-M454 HydrophobicContact CB-CG 3.89Å; L339-M454 HydrophobicContact CB-SD 3.65Å; L339-M454 HydrophobicContact CD1-SD 4.3Å; L339-M454 HydrophobicContact CG-SD 4.46Å; L339-V462 PolarHBondContact N-O 2.95Å; L339-V462 PolarHBondContact O-N 3.05Å
340S96.5Very high94.1Very high10 Ų1035.8 Ų35.87%0.0717%0.173CC..EExtended strand (participates in β ladder)trans-149.3136.5170.5-170.70000109.1T349 E460S340-T349 PolarHBondContact N-O 2.69Å; S340-T349 PolarHBondContact O-N 3.06Å; S340-E460 WeakPolarHBondContact CA-O 3.25Å; S340-E460 WeakPolarHBondContact CB-O 3.37Å; S340-E460 PolarHBondContact OG-O 2.75Å
341Y95.9Very high94.5Very high2 Ų234.6 Ų34.61%0.00816%0.164CC..EExtended strand (participates in β ladder)trans-112.5143.7171.1-172.8-110.9000110.6D343 L348 A406 A408 L411 L455 K459Y341-D343 WeakPolarHBondContact CD1-OD1 3.33Å; Y341-D343 HydrophobicContact CE1-CB 3.97Å; Y341-D343 VanDerWaalsContact CE1-CG 3.47Å; Y341-L348 HydrophobicContact CD2-CB 4.17Å; Y341-A406 WeakPolarHBondContact CE2-O 3.45Å; Y341-A406 PolarHBondContact OH-O 3.33Å; Y341-A406 VanDerWaalsContact OH-O 3.08Å; Y341-A408 PolarHBondContact OH-N 2.84Å; Y341-L411 HydrophobicContact CD1-CD1 3.86Å; Y341-L411 HydrophobicContact CD2-CD1 4.24Å; Y341-L411 HydrophobicContact CD2-CD2 4.2Å; Y341-L411 HydrophobicContact CE1-CD1 3.53Å; Y341-L411 HydrophobicContact CE2-CD1 3.97Å; Y341-L411 HydrophobicContact CE2-CD2 3.99Å; Y341-L411 HydrophobicContact CE2-CG 4.39Å; Y341-L411 HydrophobicContact CG-CD1 4.2Å; Y341-L455 HydrophobicContact CD1-CD2 4.41Å; Y341-K459 PolarHBondContact O-N 2.81Å
342N94.4Very high95Very high26 Ų2629.2 Ų29.214%0.13914%0.139CC..EExtended strand (participates in β ladder)trans-13398.7173.9-175.6-14000109.8Y344 L345 S346 R347 K459N342-Y344 VanDerWaalsContact C-N 3.34Å; N342-Y344 PolarHBondContact O-N 2.84Å; N342-Y344 PolarHBondContact OD1-N 3.25Å; N342-L345 CarbonylContact O-C 3.57Å; N342-L345 PolarHBondContact O-N 2.97Å; N342-L345 VanDerWaalsContact O-N 3.12Å; N342-S346 PolarHBondContact O-N 2.76Å; N342-S346 VanDerWaalsContact O-N 3.13Å; N342-R347 PolarHBondContact N-O 2.97Å; N342-R347 PolarHBondContact O-N 3.46Å; N342-R347 VanDerWaalsContact O-N 3.07Å; N342-K459 HydrophobicContact CB-CG 4.42Å
343D92.3Very high95.3Very high81 Ų8129.1 Ų29.143%0.43314%0.14SC..G310 helixtrans-54.2-45.3-176.3-52.157.4000112.3Y341 L345 S346Y341-D343 WeakPolarHBondContact CD1-OD1 3.33Å; Y341-D343 HydrophobicContact CE1-CB 3.97Å; Y341-D343 VanDerWaalsContact CE1-CG 3.47Å; D343-L345 PolarHBondContact O-N 3.02Å; D343-S346 PolarHBondContact O-N 2.99Å; D343-S346 VanDerWaalsContact O-N 3.12Å
344Y91.3Very high95.3Very high188 Ų18830.1 Ų30.174%0.73714%0.144SC*.G310 helixtrans-60.4-21-179.3-62.9-83.6000113.7N342N342-Y344 VanDerWaalsContact C-N 3.34Å; N342-Y344 PolarHBondContact O-N 2.84Å; N342-Y344 PolarHBondContact OD1-N 3.25Å
345L92.9Very high95.3Very high95 Ų9529.8 Ų29.850%0.49714%0.142SC..G310 helixtrans-121.19.3-176.2-59.2173.9000111.7N342 D343 R347N342-L345 CarbonylContact O-C 3.57Å; N342-L345 PolarHBondContact O-N 2.97Å; N342-L345 VanDerWaalsContact O-N 3.12Å; D343-L345 PolarHBondContact O-N 3.02Å; L345-R347 HydrophobicContact CB-CB 4.16Å; L345-R347 VanDerWaalsContact CD1-NH1 3.27Å; L345-R347 PolarHBondContact O-N 2.74Å; L345-R347 VanDerWaalsContact O-N 3.14Å
346S94.3Very high95Very high24 Ų2431 Ų3117%0.16815%0.147CC..THydrogen-bonded Turntrans41.745.5-172.3-620000112.4N342 D343 K405 A406 D407N342-S346 PolarHBondContact O-N 2.76Å; N342-S346 VanDerWaalsContact O-N 3.13Å; D343-S346 PolarHBondContact O-N 2.99Å; D343-S346 VanDerWaalsContact O-N 3.12Å; S346-K405 CarbonylContact O-C 3.47Å; S346-K405 VanDerWaalsContact O-CA 3.3Å; S346-K405 WeakPolarHBondContact O-CA 3.45Å; S346-A406 CarbonylContact C-O 3.42Å; S346-A406 VanDerWaalsContact C-O 3.24Å; S346-A406 WeakPolarHBondContact CA-O 3.48Å; S346-A406 WeakPolarHBondContact CB-O 3.43Å; S346-A406 PolarHBondContact O-N 3.01Å; S346-A406 VanDerWaalsContact O-O 3.05Å; S346-D407 WeakPolarHBondContact CB-OD1 3.28Å; S346-D407 PolarHBondContact OG-OD1 2.87Å
347R95.1Very high94.7Very high91 Ų9131.5 Ų31.534%0.34316%0.155SC..EExtended strand (participates in β ladder)trans-121.5112.5-165.2-172.3168.267-129.36.8112.6N342 L345 F404N342-R347 PolarHBondContact N-O 2.97Å; N342-R347 PolarHBondContact O-N 3.46Å; N342-R347 VanDerWaalsContact O-N 3.07Å; L345-R347 HydrophobicContact CB-CB 4.16Å; L345-R347 VanDerWaalsContact CD1-NH1 3.27Å; L345-R347 PolarHBondContact O-N 2.74Å; L345-R347 VanDerWaalsContact O-N 3.14Å; R347-F404 WeakPolarHBondContact CA-O 3.1Å
348L95.7Very high94.3Very high0 Ų031.7 Ų31.70%016%0.156CC..EExtended strand (participates in β ladder)trans-88.9117.9168.1-179.656.5000109.3Y341 L375 S403 F404 A406 L416 W451 M454Y341-L348 HydrophobicContact CD2-CB 4.17Å; L348-L375 HydrophobicContact CD2-CD1 4.29Å; L348-S403 CarbonylContact O-C 3.59Å; L348-S403 WeakPolarHBondContact O-CA 3.43Å; L348-F404 HydrophobicContact CB-CB 4.5Å; L348-F404 PolarHBondContact N-O 3.46Å; L348-F404 PolarHBondContact O-N 3.12Å; L348-A406 HydrophobicContact CB-CB 4.48Å; L348-L416 HydrophobicContact CD1-CD1 4.45Å; L348-L416 HydrophobicContact CD2-CD1 3.78Å; L348-L416 HydrophobicContact CD2-CD2 4.17Å; L348-L416 HydrophobicContact CD2-CG 3.97Å; L348-L416 HydrophobicContact CG-CD1 4.21Å; L348-W451 HydrophobicContact CD2-CH2 3.92Å; L348-W451 HydrophobicContact CD2-CZ3 4.12Å; L348-M454 HydrophobicContact CD1-CE 4.03Å; L348-M454 HydrophobicContact CD1-SD 3.35Å; L348-M454 WeakPolarHBondContact CD1-SD 3.34Å
349T96.8Very high93.8Very high23 Ų2338 Ų3814%0.14118%0.178CC..EExtended strand (participates in β ladder)trans-110.2124.3179.9-66.20000110L339 S340 V351 T401 F402L339-T349 WeakPolarHBondContact CA-O 3.14Å; S340-T349 PolarHBondContact N-O 2.69Å; S340-T349 PolarHBondContact O-N 3.06Å; T349-V351 HydrophobicContact CG2-CG2 4.38Å; T349-T401 HydrophobicContact CG2-CG2 3.66Å; T349-F402 WeakPolarHBondContact CA-O 3.41Å
350V97.7Very high93.2Very high0 Ų040 Ų400%019%0.188CC..EExtended strand (participates in β ladder)trans-116.2122.4179.2-172.60000108.3F337 C338 L339 V352 V373 F402 F404 L416 L418F337-V350 HydrophobicContact CD2-CG1 4.37Å; C338-V350 WeakPolarHBondContact O-CA 3.44Å; L339-V350 HydrophobicContact CD2-CB 4.4Å; L339-V350 HydrophobicContact CD2-CG1 4.14Å; L339-V350 HydrophobicContact CD2-CG2 3.93Å; V350-V352 HydrophobicContact CG1-CG2 4.45Å; V350-V373 HydrophobicContact CB-CG1 4.38Å; V350-V373 HydrophobicContact CG1-CG1 4.14Å; V350-V373 HydrophobicContact CG2-CG1 4.36Å; V350-F402 PolarHBondContact N-O 3Å; V350-F402 PolarHBondContact O-N 3.35Å; V350-F404 HydrophobicContact CG2-CD2 4.22Å; V350-F404 HydrophobicContact CG2-CE2 4.09Å; V350-L416 HydrophobicContact CG2-CD1 3.44Å; V350-L416 VanDerWaalsContact CG2-CD1 3.44Å; V350-L416 HydrophobicContact CG2-CD2 4.22Å; V350-L418 HydrophobicContact CG1-CD2 4.18Å
351V97.4Very high92.3Very high15 Ų1544.1 Ų44.19%0.09121%0.207CC..EExtended strand (participates in β ladder)trans-109.5106.3175.5-171.40000108.8F337 C338 T349 L353 E400 T401 L461F337-V351 CarbonylContact C-O 3.52Å; F337-V351 WeakPolarHBondContact CA-O 3.37Å; F337-V351 VanDerWaalsContact CB-O 3.25Å; F337-V351 WeakPolarHBondContact CB-O 3.35Å; C338-V351 HydrophobicContact CB-CB 4.03Å; C338-V351 HydrophobicContact CB-CG2 4.38Å; C338-V351 PolarHBondContact N-O 3.08Å; C338-V351 PolarHBondContact O-N 3.4Å; T349-V351 HydrophobicContact CG2-CG2 4.38Å; V351-L353 HydrophobicContact CG1-CD2 3.79Å; V351-L353 PolarHBondContact O-N 3.45Å; V351-E400 CarbonylContact C-O 3.58Å; V351-E400 WeakPolarHBondContact CA-O 3.48Å; V351-T401 HydrophobicContact CG2-CG2 4.1Å; V351-L461 HydrophobicContact CG2-CD2 3.69Å
352V97.2Very high90.9Very high0 Ų053.4 Ų53.40%025%0.25CS..EExtended strand (participates in β ladder)trans-80.3112.7175.6-177.70000107.9L335 V350 V371 V373 T387 Y398 N399 E400 F402 L418L335-V352 HydrophobicContact CD1-CG1 4.3Å; V350-V352 HydrophobicContact CG1-CG2 4.45Å; V352-V371 HydrophobicContact CG1-CB 4.21Å; V352-V371 HydrophobicContact CG1-CG1 4.49Å; V352-V371 HydrophobicContact CG1-CG2 3.92Å; V352-V373 HydrophobicContact CG2-CG2 3.65Å; V352-T387 HydrophobicContact CB-CG2 4.1Å; V352-T387 HydrophobicContact CG1-CG2 4.05Å; V352-T387 HydrophobicContact CG2-CG2 4.41Å; V352-Y398 HydrophobicContact CG1-CD2 3.79Å; V352-Y398 HydrophobicContact CG1-CG 4.22Å; V352-N399 VanDerWaalsContact O-CA 3.29Å; V352-N399 WeakPolarHBondContact O-CA 3.48Å; V352-N399 PolarHBondContact O-N 2.57Å; V352-E400 PolarHBondContact N-O 3.17Å; V352-E400 PolarHBondContact O-N 2.88Å; V352-F402 HydrophobicContact CB-CE2 4.21Å; V352-F402 HydrophobicContact CG2-CD2 4Å; V352-F402 HydrophobicContact CG2-CE2 3.74Å; V352-L418 HydrophobicContact CG2-CD2 4.04Å
353L93.8Very high89.1Confident27 Ų2757.5 Ų57.514%0.14127%0.272CS..EExtended strand (participates in β ladder)trans-89.1-66.2-174.7-63.9176.5000111.1Q336 V351 Y398 N399 K463Q336-L353 HydrophobicContact CB-CB 4.37Å; Q336-L353 HydrophobicContact CG-CD1 4.18Å; Q336-L353 WeakPolarHBondContact O-CB 3.49Å; Q336-L353 PolarHBondContact O-N 3.12Å; V351-L353 HydrophobicContact CG1-CD2 3.79Å; V351-L353 PolarHBondContact O-N 3.45Å; L353-Y398 PolarHBondContact O-N 3.2Å; L353-N399 WeakPolarHBondContact CA-OD1 3.48Å; L353-N399 WeakPolarHBondContact CD2-OD1 3.48Å; L353-N399 PolarHBondContact O-N 2.87Å; L353-N399 PolarHBondContact O-OD1 2.79Å; L353-K463 HydrophobicContact CD1-CD 3.52Å; L353-K463 HydrophobicContact CD1-CG 3.86Å
354R92.9Very high87.4Confident22 Ų2264.9 Ų64.98%0.08329%0.294CS..EExtended strand (participates in β ladder)trans-163.4164.3-174.558.8-179.9174.7-144.9-17.5111.7L301 E322 Q336 P396 V397 W465L301-R354 VanDerWaalsContact CD1-NH1 3.34Å; E322-R354 IonicContact OE1-NH2 3.69Å; E322-R354 IonicContact OE2-CZ 3.12Å; E322-R354 IonicContact OE2-NH1 2.72Å; E322-R354 PolarHBondContact OE2-NH1 2.81Å; E322-R354 IonicContact OE2-NH2 2.71Å; E322-R354 PolarHBondContact OE2-NH2 2.93Å; Q336-R354 HydrophobicContact CB-CG 4.12Å; Q336-R354 PolarHBondContact N-O 3.48Å; Q336-R354 PolarHBondContact O-N 3.4Å; Q336-R354 VanDerWaalsContact OE1-CZ 3.23Å; R354-P396 CarbonylContact C-O 3.6Å; R354-P396 WeakPolarHBondContact CA-O 3.22Å; R354-P396 VanDerWaalsContact CB-O 3.27Å; R354-P396 WeakPolarHBondContact CB-O 3.24Å; R354-V397 HydrophobicContact CB-CB 4.19Å; R354-V397 HydrophobicContact CB-CG1 4.17Å; R354-V397 HydrophobicContact CB-CG2 3.93Å; R354-W465 HydrophobicContact CG-CH2 3.88Å; R354-W465 HydrophobicContact CG-CZ2 4.39Å
355A93.6Very high86Confident2 Ų257.7 Ų57.72%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-116.6161163.500000111D334 L335 L358 N395 P396D334-A355 CarbonylContact O-C 3.57Å; D334-A355 WeakPolarHBondContact O-CA 3.14Å; D334-A355 WeakPolarHBondContact O-CB 3.47Å; L335-A355 HydrophobicContact CD1-CB 3.96Å; A355-L358 HydrophobicContact CB-CD1 3.92Å; A355-L358 HydrophobicContact CB-CD2 3.87Å; A355-L358 HydrophobicContact CB-CG 3.93Å; A355-N395 CarbonylContact O-C 3.49Å; A355-N395 VanDerWaalsContact O-CA 3.28Å; A355-N395 WeakPolarHBondContact O-CA 2.93Å; A355-P396 HydrophobicContact CB-CG 4.01Å; A355-P396 PolarHBondContact N-O 2.88Å
356K90.3Very high84.4Confident27 Ų2759.5 Ų59.512%0.11729%0.286CS..EExtended strand (participates in β ladder)trans-131.4145.8171.567.7172.7-178.2152.10111.3S325 E327 P329 G333 D334 L358 N395 W465S325-K356 PolarHBondContact OG-NZ 2.89Å; E327-K356 PolarHBondContact O-NZ 3.1Å; P329-K356 HydrophobicContact CB-CG 4.44Å; P329-K356 HydrophobicContact CG-CD 4.43Å; P329-K356 HydrophobicContact CG-CG 4.42Å; G333-K356 CarbonylContact C-O 3.55Å; G333-K356 WeakPolarHBondContact CA-O 2.87Å; D334-K356 HydrophobicContact CB-CG 4.01Å; D334-K356 PolarHBondContact N-O 3.12Å; D334-K356 PolarHBondContact O-N 3.26Å; D334-K356 WeakPolarHBondContact OD2-CE 3.16Å; D334-K356 IonicContact OD2-NZ 3.06Å; K356-L358 VanDerWaalsContact C-N 3.33Å; K356-L358 PolarHBondContact O-N 3.25Å; K356-N395 VanDerWaalsContact CA-OD1 3.32Å; K356-N395 WeakPolarHBondContact CA-OD1 3.44Å; K356-W465 HydrophobicContact CB-CH2 4.05Å; K356-W465 HydrophobicContact CB-CZ3 4.18Å; K356-W465 HydrophobicContact CD-CH2 3.97Å; K356-W465 HydrophobicContact CD-CZ2 4.4Å; K356-W465 HydrophobicContact CD-CZ3 4.07Å; K356-W465 HydrophobicContact CG-CE3 4.39Å; K356-W465 HydrophobicContact CG-CH2 3.82Å; K356-W465 HydrophobicContact CG-CZ3 3.64Å
357G88.1Confident83.6Confident19 Ų1959.4 Ų59.420%0.19628%0.284CS..SBendtrans62.131.4171.700000115.6G333 R359 I394 N395G333-G357 WeakPolarHBondContact CA-O 3.36Å; G333-G357 PolarHBondContact N-O 3.27Å; G357-R359 PolarHBondContact O-N 3.49Å; G357-I394 PolarHBondContact N-O 3.42Å; G357-I394 VanDerWaalsContact N-O 3.15Å; G357-N395 PolarHBondContact N-OD1 2.77Å
358L90Very high83.2Confident4 Ų455.7 Ų55.72%0.02127%0.272CS..  trans-63132.4177.2-61.4-179.5000111.2A355 K356 L360 V369 I394 P396 V420 L432 L468A355-L358 HydrophobicContact CB-CD1 3.92Å; A355-L358 HydrophobicContact CB-CD2 3.87Å; A355-L358 HydrophobicContact CB-CG 3.93Å; K356-L358 VanDerWaalsContact C-N 3.33Å; K356-L358 PolarHBondContact O-N 3.25Å; L358-L360 HydrophobicContact CB-CD2 4.25Å; L358-L360 PolarHBondContact O-N 2.88Å; L358-V369 HydrophobicContact CD1-CG1 3.84Å; L358-I394 PolarHBondContact N-O 3.01Å; L358-I394 WeakPolarHBondContact O-CG2 3.28Å; L358-P396 HydrophobicContact CD1-CG 3.63Å; L358-V420 HydrophobicContact CD1-CG1 3.91Å; L358-V420 HydrophobicContact CD2-CG1 4.17Å; L358-L432 HydrophobicContact CB-CD1 4.4Å; L358-L468 HydrophobicContact CD2-CD1 3.44Å; L358-L468 VanDerWaalsContact CD2-CD1 3.44Å
359R86.3Confident83Confident143 Ų14355.7 Ų55.754%0.5427%0.272SS..  trans-82.593.2170-69.5-171.7177.5162.68109.9E331 G357 L432E331-R359 WeakPolarHBondContact O-CD 3.49Å; E331-R359 PolarHBondContact O-NE 3.16Å; E331-R359 IonicContact OE1-NH1 2.75Å; E331-R359 PolarHBondContact OE1-NH1 3.28Å; G357-R359 PolarHBondContact O-N 3.49Å; R359-L432 WeakPolarHBondContact O-CD2 3.39Å
360L84.3Confident82.9Confident41 Ų4155.6 Ų55.622%0.21527%0.27CS..  trans-72138.7171.8-51.3-177.4000109.6L358 E362 V367 V369 I394 L432L358-L360 HydrophobicContact CB-CD2 4.25Å; L358-L360 PolarHBondContact O-N 2.88Å; L360-E362 PolarHBondContact O-N 3.49Å; L360-V367 HydrophobicContact CD1-CG1 4.27Å; L360-V369 HydrophobicContact CD2-CG2 3.53Å; L360-I394 HydrophobicContact CD1-CG2 4.03Å; L360-I394 HydrophobicContact CG-CG2 4.06Å; L360-L432 HydrophobicContact CD2-CD1 3.72Å
361Q79Confident82.8Confident97 Ų9755.6 Ų55.645%0.45327%0.27SS..  trans-78.4116.6171.6-173.8170-1.300109.1D363 Q422 M424Q361-D363 VanDerWaalsContact C-N 3.32Å; Q361-D363 PolarHBondContact O-N 2.73Å; Q361-Q422 PolarHBondContact O-NE2 3.38Å; Q361-M424 HydrophobicContact CB-CE 3.68Å; Q361-M424 HydrophobicContact CG-CE 3.85Å
362E66.6Low82.8Confident197 Ų19758 Ų5892%0.92128%0.279SS*.  trans-77.778.6177.9-66.4-176.4168.600110.7L360L360-E362 PolarHBondContact O-N 3.49Å
363D55.4Low82.8Confident111 Ų11158 Ų5859%0.59428%0.279SS*.  trans-117.6147.7160.3-149.4-11.1000109.8Q361 G365Q361-D363 VanDerWaalsContact C-N 3.32Å; Q361-D363 PolarHBondContact O-N 2.73Å; D363-G365 PolarHBondContact O-N 3.1Å
364R56.1Low83Confident236 Ų23657.5 Ų57.589%0.89128%0.278SS*.SBendtrans-66.8116.4-156.8-57.7-179.7-172.1-154.50.5111.8
365G62.1Low83.2Confident38 Ų3856.8 Ų56.839%0.39228%0.276SS..SBendtrans163174.3172.200000113.2D363 V367 E425D363-G365 PolarHBondContact O-N 3.1Å; G365-V367 PolarHBondContact O-N 3.46Å; G365-E425 WeakPolarHBondContact CA-OE2 3.01Å
366I58.9Low83.2Confident133 Ų13358.7 Ų58.768%0.68229%0.285SS*.  trans-74.396.7170.9-62.9177.4000108.6L391I366-L391 HydrophobicContact CG2-CD1 3.9Å; I366-L391 HydrophobicContact CG2-CD2 4.08Å; I366-L391 HydrophobicContact CG2-CG 4.44Å
367V78.9Confident83.3Confident21 Ų2158.4 Ų58.413%0.12729%0.285CS..  trans-70.1130.8176171.90000110.7L360 G365 V369 L391 G392 Q422L360-V367 HydrophobicContact CD1-CG1 4.27Å; G365-V367 PolarHBondContact O-N 3.46Å; V367-V369 HydrophobicContact CG1-CG2 4.34Å; V367-L391 WeakPolarHBondContact O-CA 3.16Å; V367-G392 PolarHBondContact O-N 2.78Å; V367-Q422 HydrophobicContact CG1-CG 3.44Å; V367-Q422 VanDerWaalsContact CG1-CG 3.44Å; V367-Q422 VanDerWaalsContact CG1-NE2 3.28Å; V367-Q422 VanDerWaalsContact CG2-NE2 3.31Å
368S86.6Confident83.4Confident14 Ų1463.3 Ų63.310%0.09830%0.302CS..EExtended strand (participates in β ladder)trans-121.3148.5168.178.90000111.7V390 Q422 N423S368-V390 CarbonylContact C-O 3.52Å; S368-V390 WeakPolarHBondContact CA-O 3.27Å; S368-Q422 CarbonylContact O-C 3.55Å; S368-Q422 WeakPolarHBondContact O-CA 3.38Å; S368-N423 PolarHBondContact N-O 2.93Å; S368-N423 PolarHBondContact O-N 3.08Å; S368-N423 WeakPolarHBondContact OG-CB 3.38Å
369V91.4Very high83.2Confident0 Ų068.8 Ų68.80%033%0.332CS..EExtended strand (participates in β ladder)trans-127.4127.9-176.3-168.90000110.4L358 L360 V367 V390 Y398 V420 V421 L432L358-V369 HydrophobicContact CD1-CG1 3.84Å; L360-V369 HydrophobicContact CD2-CG2 3.53Å; V367-V369 HydrophobicContact CG1-CG2 4.34Å; V369-V390 PolarHBondContact N-O 3.36Å; V369-V390 PolarHBondContact O-N 2.97Å; V369-Y398 WeakPolarHBondContact O-CE1 3.38Å; V369-Y398 PolarHBondContact O-OH 3.07Å; V369-V420 HydrophobicContact CG1-CG1 3.55Å; V369-V421 WeakPolarHBondContact CA-O 3.41Å; V369-L432 HydrophobicContact CG1-CD1 4.34Å
370F94.1Very high83.4Confident20 Ų2069.5 Ų69.59%0.08834%0.339CS..EExtended strand (participates in β ladder)trans-136.9160.917767.5-82.9000110.9K372 K386 T387 A389 V421 N423F370-K372 HydrophobicContact CD2-CG 4.32Å; F370-K372 HydrophobicContact CE2-CD 4.41Å; F370-K372 HydrophobicContact CE2-CG 3.69Å; F370-K386 HydrophobicContact CD2-CB 4.14Å; F370-K386 HydrophobicContact CD2-CD 4.18Å; F370-K386 HydrophobicContact CD2-CG 4.19Å; F370-K386 HydrophobicContact CE2-CB 4.49Å; F370-K386 HydrophobicContact CE2-CD 3.73Å; F370-K386 HydrophobicContact CE2-CG 4.04Å; F370-T387 WeakPolarHBondContact CA-OG1 3.32Å; F370-T387 WeakPolarHBondContact CB-OG1 3.48Å; F370-A389 HydrophobicContact CB-CB 4.25Å; F370-V421 HydrophobicContact CD1-CB 4.42Å; F370-V421 HydrophobicContact CE1-CB 3.92Å; F370-V421 HydrophobicContact CE1-CG1 3.79Å; F370-V421 HydrophobicContact CE2-CB 4.12Å; F370-V421 HydrophobicContact CE2-CG1 4.49Å; F370-V421 HydrophobicContact CE2-CG2 4.49Å; F370-V421 HydrophobicContact CZ-CB 3.76Å; F370-V421 HydrophobicContact CZ-CG1 3.68Å; F370-V421 HydrophobicContact CZ-CG2 4.44Å; F370-V421 PolarHBondContact N-O 3.13Å; F370-V421 PolarHBondContact O-N 3.2Å; F370-N423 HydrophobicContact CE1-CB 4.4Å
371V96.7Very high83.8Confident0 Ų074 Ų740%036%0.356CS..EExtended strand (participates in β ladder)trans-105.4126176.5-171.20000109.4L335 V352 V373 K386 T387 Y398 L418 T419 V420L335-V371 HydrophobicContact CD1-CG2 4.09Å; L335-V371 HydrophobicContact CD2-CG1 4.2Å; V352-V371 HydrophobicContact CG1-CB 4.21Å; V352-V371 HydrophobicContact CG1-CG1 4.49Å; V352-V371 HydrophobicContact CG1-CG2 3.92Å; V371-V373 HydrophobicContact CG1-CG2 4.24Å; V371-K386 WeakPolarHBondContact O-CA 3.12Å; V371-T387 HydrophobicContact CB-CG2 3.92Å; V371-T387 HydrophobicContact CG2-CG2 4.39Å; V371-T387 PolarHBondContact N-OG1 2.83Å; V371-T387 PolarHBondContact O-N 2.91Å; V371-Y398 HydrophobicContact CG2-CD2 4.15Å; V371-Y398 HydrophobicContact CG2-CE2 3.62Å; V371-L418 HydrophobicContact CG1-CB 4.17Å; V371-T419 CarbonylContact C-O 3.5Å; V371-T419 WeakPolarHBondContact CA-O 3.42Å; V371-V420 HydrophobicContact CG2-CG2 4.29Å
372K96.8Very high84.6Confident65 Ų6573 Ų7328%0.28336%0.357SS..EExtended strand (participates in β ladder)trans-85.1120.1163.8-67.9180179.2170.70108.2F370 K385 K386 L418 T419 V421F370-K372 HydrophobicContact CD2-CG 4.32Å; F370-K372 HydrophobicContact CE2-CD 4.41Å; F370-K372 HydrophobicContact CE2-CG 3.69Å; K372-K385 CarbonylContact C-O 3.54Å; K372-K385 WeakPolarHBondContact CA-O 3.25Å; K372-K386 HydrophobicContact CG-CG 4.28Å; K372-L418 WeakPolarHBondContact O-CA 3.35Å; K372-T419 PolarHBondContact N-O 3.3Å; K372-T419 PolarHBondContact O-N 2.84Å; K372-V421 HydrophobicContact CD-CG2 3.94Å; K372-V421 HydrophobicContact CG-CG2 4.1Å
373V97.8Very high86Confident0 Ų069 Ų690%034%0.337CS..EExtended strand (participates in β ladder)trans-104.6111.8172.5-174.80000107.9V350 V352 V371 C384 K385 F402 F404 L416 L418V350-V373 HydrophobicContact CB-CG1 4.38Å; V350-V373 HydrophobicContact CG1-CG1 4.14Å; V350-V373 HydrophobicContact CG2-CG1 4.36Å; V352-V373 HydrophobicContact CG2-CG2 3.65Å; V371-V373 HydrophobicContact CG1-CG2 4.24Å; V373-C384 CarbonylContact O-C 3.42Å; V373-C384 WeakPolarHBondContact O-CA 3.44Å; V373-K385 PolarHBondContact N-O 2.84Å; V373-K385 PolarHBondContact O-N 2.99Å; V373-F402 HydrophobicContact CB-CD2 4.41Å; V373-F402 HydrophobicContact CG2-CD2 3.84Å; V373-F402 HydrophobicContact CG2-CE2 3.97Å; V373-F404 HydrophobicContact CB-CZ 4.23Å; V373-F404 HydrophobicContact CG1-CE2 3.74Å; V373-F404 HydrophobicContact CG1-CZ 3.74Å; V373-L416 HydrophobicContact CG1-CD2 4.43Å; V373-L418 HydrophobicContact CG1-CG 4.37Å; V373-L418 HydrophobicContact CG2-CD2 4.22Å; V373-L418 HydrophobicContact CG2-CG 4.32Å
374S96.9Very high87.9Confident18 Ų1865.9 Ų65.913%0.12632%0.323CS..EExtended strand (participates in β ladder)trans-118123-174.5-58.30000111K383 C384 L416 S417S374-K383 CarbonylContact C-O 3.5Å; S374-K383 WeakPolarHBondContact CA-O 3.48Å; S374-C384 PolarHBondContact OG-SG 2.79Å; S374-L416 WeakPolarHBondContact O-CA 3.4Å; S374-S417 PolarHBondContact N-O 2.99Å; S374-S417 PolarHBondContact O-N 2.94Å
375L96.6Very high89.9Confident6 Ų657.7 Ų57.73%0.03129%0.294CS..EExtended strand (participates in β ladder)trans-86.8128.7169-178.963.7000109.9L348 V382 K383 F404 A414 L416L348-L375 HydrophobicContact CD2-CD1 4.29Å; L375-V382 HydrophobicContact CB-CB 4.42Å; L375-V382 HydrophobicContact CD2-CB 4.37Å; L375-V382 HydrophobicContact CD2-CG1 4.19Å; L375-V382 HydrophobicContact CG-CB 4.22Å; L375-V382 WeakPolarHBondContact O-CB 3.39Å; L375-V382 PolarHBondContact O-N 2.65Å; L375-K383 PolarHBondContact N-O 1.85Å; L375-K383 PolarHBondContact O-N 3.25Å; L375-F404 HydrophobicContact CB-CD1 3.83Å; L375-F404 HydrophobicContact CB-CE1 4.14Å; L375-F404 HydrophobicContact CB-CG 4.38Å; L375-F404 HydrophobicContact CD2-CB 3.92Å; L375-F404 HydrophobicContact CD2-CD1 4.24Å; L375-F404 HydrophobicContact CD2-CG 4.34Å; L375-A414 HydrophobicContact CD1-CB 4.3Å; L375-L416 HydrophobicContact CB-CD2 4.16Å; L375-L416 HydrophobicContact CD1-CD2 3.93Å; L375-L416 HydrophobicContact CD1-CG 4.42Å
376M94.7Very high91.5Very high42 Ų4262 Ų6221%0.20730%0.302CS..EExtended strand (participates in β ladder)trans-112.7145.3174.8-43.5-985300107.8K380 F381 A414 S415M376-K380 CarbonylContact C-O 3.59Å; M376-K380 VanDerWaalsContact CA-O 3.29Å; M376-K380 WeakPolarHBondContact CA-O 3.44Å; M376-F381 HydrophobicContact CE-CB 3.84Å; M376-F381 HydrophobicContact CE-CD2 3.89Å; M376-F381 HydrophobicContact CE-CG 4.35Å; M376-A414 CarbonylContact O-C 3.57Å; M376-A414 VanDerWaalsContact O-CA 3.3Å; M376-A414 WeakPolarHBondContact O-CA 3.36Å; M376-S415 WeakPolarHBondContact CB-O 3.35Å; M376-S415 PolarHBondContact N-O 3Å; M376-S415 PolarHBondContact O-N 3.02Å
377N93.1Very high93.2Very high22 Ų2256.1 Ų56.112%0.11827%0.272CS..EExtended strand (participates in β ladder)trans-137.3127.1168.1-173.41.9000108.4N379 K380 V382 E410 T413N377-N379 PolarHBondContact O-N 3.14Å; N377-K380 PolarHBondContact N-O 2.87Å; N377-K380 WeakPolarHBondContact O-CA 3.3Å; N377-K380 WeakPolarHBondContact O-CB 3.49Å; N377-K380 PolarHBondContact O-N 2.9Å; N377-V382 HydrophobicContact CB-CG2 3.63Å; N377-E410 PolarHBondContact ND2-OE1 2.58Å; N377-T413 CarbonylContact C-O 3.54Å; N377-T413 WeakPolarHBondContact CA-O 3.15Å; N377-T413 WeakPolarHBondContact OD1-CB 3.19Å; N377-T413 PolarHBondContact OD1-O 3.34Å; N377-T413 PolarHBondContact OD1-OG1 2.95Å
378H89.6Confident93.8Very high121 Ų12158 Ų5856%0.5629%0.287SS*.THydrogen-bonded Turntrans5141.1-171.2-64.171.7000113K380 T413H378-K380 PolarHBondContact O-N 3.08Å; H378-T413 WeakPolarHBondContact CE1-CB 3.49Å; H378-T413 PolarHBondContact CE1-OG1 2.84Å; H378-T413 PolarHBondContact N-O 3.09Å; H378-T413 WeakPolarHBondContact ND1-CB 3.36Å; H378-T413 PolarHBondContact ND1-OG1 2.81Å
379N85.4Confident94Very high120 Ų12059.5 Ų59.564%0.64230%0.299SS*.THydrogen-bonded Turntrans57.39.2-170.3-69.1-15.4000116N377 Y442N377-N379 PolarHBondContact O-N 3.14Å; N379-Y442 WeakPolarHBondContact OD1-CE1 3.43Å
380K90.4Very high93.8Very high158 Ų15860.2 Ų60.269%0.68730%0.304SS*.EExtended strand (participates in β ladder)trans-94.4146.5173.5-62.4-179.7-178.1176.10110.8M376 N377 H378 V382M376-K380 CarbonylContact C-O 3.59Å; M376-K380 VanDerWaalsContact CA-O 3.29Å; M376-K380 WeakPolarHBondContact CA-O 3.44Å; N377-K380 PolarHBondContact N-O 2.87Å; N377-K380 WeakPolarHBondContact O-CA 3.3Å; N377-K380 WeakPolarHBondContact O-CB 3.49Å; N377-K380 PolarHBondContact O-N 2.9Å; H378-K380 PolarHBondContact O-N 3.08Å; K380-V382 PolarHBondContact O-N 3.28Å
381F93.5Very high93.3Very high134 Ų13462.2 Ų62.259%0.58832%0.315SS*.EExtended strand (participates in β ladder)trans-73124.6179.4-179.7-99.4000112.3M376 C384M376-F381 HydrophobicContact CE-CB 3.84Å; M376-F381 HydrophobicContact CE-CD2 3.89Å; M376-F381 HydrophobicContact CE-CG 4.35Å; F381-C384 HydrophobicContact CE2-CB 3.75Å; F381-C384 HydrophobicContact CZ-CB 3.6Å; F381-C384 VanDerWaalsContact CZ-N 3.31Å
382V94.4Very high92.3Very high76 Ų7664.6 Ų64.646%0.46134%0.339SS..EExtended strand (participates in β ladder)trans-103-58.1176.5-176.50000110.5L375 N377 K380L375-V382 HydrophobicContact CB-CB 4.42Å; L375-V382 HydrophobicContact CD2-CB 4.37Å; L375-V382 HydrophobicContact CD2-CG1 4.19Å; L375-V382 HydrophobicContact CG-CB 4.22Å; L375-V382 WeakPolarHBondContact O-CB 3.39Å; L375-V382 PolarHBondContact O-N 2.65Å; N377-V382 HydrophobicContact CB-CG2 3.63Å; K380-V382 PolarHBondContact O-N 3.28Å
383K95.8Very high91.6Very high114 Ų11462.1 Ų62.150%0.49633%0.331SS..EExtended strand (participates in β ladder)trans-159.4140.6-174.7-164.1161.7-168.8160.90112.3S374 L375 F404S374-K383 CarbonylContact C-O 3.5Å; S374-K383 WeakPolarHBondContact CA-O 3.48Å; L375-K383 PolarHBondContact N-O 1.85Å; L375-K383 PolarHBondContact O-N 3.25Å; K383-F404 HydrophobicContact CB-CD1 4.12Å; K383-F404 HydrophobicContact CB-CE1 4.14Å; K383-F404 HydrophobicContact CD-CD1 4.47Å; K383-F404 HydrophobicContact CG-CD1 4.43Å; K383-F404 HydrophobicContact CG-CE1 4.29Å
384C96.5Very high91.1Very high46 Ų4666.2 Ų66.231%0.31135%0.352SS..EExtended strand (participates in β ladder)trans-114.2143.5169.4-166.80000110.2V373 S374 F381V373-C384 CarbonylContact O-C 3.42Å; V373-C384 WeakPolarHBondContact O-CA 3.44Å; S374-C384 PolarHBondContact OG-SG 2.79Å; F381-C384 HydrophobicContact CE2-CB 3.75Å; F381-C384 HydrophobicContact CZ-CB 3.6Å; F381-C384 VanDerWaalsContact CZ-N 3.31Å
385K97.4Very high90.7Very high63 Ų6367.5 Ų67.527%0.27436%0.357SS..EExtended strand (participates in β ladder)trans-128.8157.3165.8-65.8-173.8171.4-1750108.9K372 V373 F402 S403 F404K372-K385 CarbonylContact C-O 3.54Å; K372-K385 WeakPolarHBondContact CA-O 3.25Å; V373-K385 PolarHBondContact N-O 2.84Å; V373-K385 PolarHBondContact O-N 2.99Å; K385-F402 HydrophobicContact CB-CD1 3.73Å; K385-F402 HydrophobicContact CB-CE1 4.1Å; K385-F402 HydrophobicContact CB-CG 4.28Å; K385-F402 HydrophobicContact CD-CB 4.03Å; K385-F402 HydrophobicContact CD-CD1 3.76Å; K385-F402 HydrophobicContact CD-CG 4.27Å; K385-F402 HydrophobicContact CG-CD1 4.38Å; K385-S403 PolarHBondContact NZ-O 2.84Å; K385-F404 HydrophobicContact CB-CZ 4.27Å; K385-F404 HydrophobicContact CD-CE1 4.28Å; K385-F404 HydrophobicContact CD-CZ 4.08Å; K385-F404 HydrophobicContact CG-CE1 4.16Å; K385-F404 HydrophobicContact CG-CZ 4.09Å
386K96.1Very high90.4Very high128 Ų12867.2 Ų67.256%0.55736%0.356SS*.EExtended strand (participates in β ladder)trans-124.9145.4-179.9-62.5179.9-177.3178.10109.4F370 V371 K372 F402F370-K386 HydrophobicContact CD2-CB 4.14Å; F370-K386 HydrophobicContact CD2-CD 4.18Å; F370-K386 HydrophobicContact CD2-CG 4.19Å; F370-K386 HydrophobicContact CE2-CB 4.49Å; F370-K386 HydrophobicContact CE2-CD 3.73Å; F370-K386 HydrophobicContact CE2-CG 4.04Å; V371-K386 WeakPolarHBondContact O-CA 3.12Å; K372-K386 HydrophobicContact CG-CG 4.28Å; K386-F402 WeakPolarHBondContact O-CE1 3.49Å
387T95.1Very high90.2Very high11 Ų1165.8 Ų65.87%0.06735%0.349CS..PPolyproline II helixtrans-71.9167.4164.764.30000111.6V352 F370 V371 Y398 E400 F402V352-T387 HydrophobicContact CB-CG2 4.1Å; V352-T387 HydrophobicContact CG1-CG2 4.05Å; V352-T387 HydrophobicContact CG2-CG2 4.41Å; F370-T387 WeakPolarHBondContact CA-OG1 3.32Å; F370-T387 WeakPolarHBondContact CB-OG1 3.48Å; V371-T387 HydrophobicContact CB-CG2 3.92Å; V371-T387 HydrophobicContact CG2-CG2 4.39Å; V371-T387 PolarHBondContact N-OG1 2.83Å; V371-T387 PolarHBondContact O-N 2.91Å; T387-Y398 HydrophobicContact CG2-CD1 3.98Å; T387-Y398 HydrophobicContact CG2-CG 4.02Å; T387-Y398 WeakPolarHBondContact OG1-CD1 3.44Å; T387-Y398 WeakPolarHBondContact OG1-CE1 3.46Å; T387-E400 WeakPolarHBondContact CA-OE2 3.4Å; T387-F402 HydrophobicContact CG2-CE2 3.75Å; T387-F402 HydrophobicContact CG2-CZ 3.7Å
388S91.1Very high90.2Very high61 Ų6164.7 Ų64.743%0.42734%0.343SS..PPolyproline II helixtrans-54.3153.3154.967.40000111.1Y398 E400S388-Y398 WeakPolarHBondContact O-CE1 3.41Å; S388-E400 VanDerWaalsContact CB-OE1 3.24Å; S388-E400 WeakPolarHBondContact CB-OE1 3.44Å; S388-E400 PolarHBondContact N-OE1 3.01Å; S388-E400 PolarHBondContact N-OE2 3.44Å; S388-E400 PolarHBondContact OG-OE1 2.94Å
389A89.7Confident90.3Very high44 Ų4462 Ų6236%0.36433%0.333SS..PPolyproline II helixtrans-96.2122.8-179.500000110.4F370F370-A389 HydrophobicContact CB-CB 4.25Å
390V87.4Confident90.7Very high16 Ų1658 Ų5810%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-95.4127179.4179.30000109S368 V369 P396 Y398S368-V390 CarbonylContact C-O 3.52Å; S368-V390 WeakPolarHBondContact CA-O 3.27Å; V369-V390 PolarHBondContact N-O 3.36Å; V369-V390 PolarHBondContact O-N 2.97Å; V390-P396 HydrophobicContact CB-CB 3.81Å; V390-P396 HydrophobicContact CG1-CB 3.85Å; V390-P396 HydrophobicContact CG2-CB 4.07Å; V390-Y398 HydrophobicContact CB-CE1 4.41Å; V390-Y398 HydrophobicContact CG2-CD1 3.94Å; V390-Y398 HydrophobicContact CG2-CE1 3.67Å
391L84.8Confident91Very high61 Ų6154.8 Ų54.832%0.31930%0.304SS..EExtended strand (participates in β ladder)trans-79.1133.9-177.5-56.7-167.8000112Q278 I366 V367 S393Q278-L391 VanDerWaalsContact OE1-CD1 3.25Å; I366-L391 HydrophobicContact CG2-CD1 3.9Å; I366-L391 HydrophobicContact CG2-CD2 4.08Å; I366-L391 HydrophobicContact CG2-CG 4.44Å; V367-L391 WeakPolarHBondContact O-CA 3.16Å; L391-S393 PolarHBondContact O-N 3.35Å
392G75.2Confident91.1Very high50 Ų5049.1 Ų49.152%0.51528%0.279SS..SBendtrans59.117.3162.200000117.4V367V367-G392 PolarHBondContact O-N 2.78Å
393S82.8Confident91.2Very high14 Ų1447.8 Ų47.810%0.09827%0.273CS..  trans-107.1127.1-176.3-172.20000112.6L391 N395L391-S393 PolarHBondContact O-N 3.35Å; S393-N395 PolarHBondContact OG-N 2.89Å; S393-N395 VanDerWaalsContact OG-N 3.09Å; S393-N395 PolarHBondContact OG-O 2.81Å
394I87.3Confident91.2Very high86 Ų8642.6 Ų42.644%0.44125%0.251SS..SBendtrans-75.4-15.3166.562.1170.2000112.6G357 L358 L360 P396G357-I394 PolarHBondContact N-O 3.42Å; G357-I394 VanDerWaalsContact N-O 3.15Å; L358-I394 PolarHBondContact N-O 3.01Å; L358-I394 WeakPolarHBondContact O-CG2 3.28Å; L360-I394 HydrophobicContact CD1-CG2 4.03Å; L360-I394 HydrophobicContact CG-CG2 4.06Å; I394-P396 VanDerWaalsContact C-CD 3.42Å
395N88.2Confident91.1Very high44 Ų4447.3 Ų47.324%0.23527%0.266CS..SBendtrans-125.858.9-179.1-61.2-38000110.2A355 K356 G357 S393A355-N395 CarbonylContact O-C 3.49Å; A355-N395 VanDerWaalsContact O-CA 3.28Å; A355-N395 WeakPolarHBondContact O-CA 2.93Å; K356-N395 VanDerWaalsContact CA-OD1 3.32Å; K356-N395 WeakPolarHBondContact CA-OD1 3.44Å; G357-N395 PolarHBondContact N-OD1 2.77Å; S393-N395 PolarHBondContact OG-N 2.89Å; S393-N395 VanDerWaalsContact OG-N 3.09Å; S393-N395 PolarHBondContact OG-O 2.81Å
396P90.3Very high90.9Very high1 Ų144.4 Ų44.41%0.00625%0.254CS..  trans-72.2140.9-173.531.1-35.4000111.4R354 A355 L358 V390 I394 Y398R354-P396 CarbonylContact C-O 3.6Å; R354-P396 WeakPolarHBondContact CA-O 3.22Å; R354-P396 VanDerWaalsContact CB-O 3.27Å; R354-P396 WeakPolarHBondContact CB-O 3.24Å; A355-P396 HydrophobicContact CB-CG 4.01Å; A355-P396 PolarHBondContact N-O 2.88Å; L358-P396 HydrophobicContact CD1-CG 3.63Å; V390-P396 HydrophobicContact CB-CB 3.81Å; V390-P396 HydrophobicContact CG1-CB 3.85Å; V390-P396 HydrophobicContact CG2-CB 4.07Å; I394-P396 VanDerWaalsContact C-CD 3.42Å; P396-Y398 HydrophobicContact CB-CE1 4.36Å; P396-Y398 HydrophobicContact CB-CE2 3.97Å; P396-Y398 HydrophobicContact CG-CE2 3.81Å; P396-Y398 WeakPolarHBondContact CG-OH 3.45Å
397V90.8Very high90.8Very high11 Ų1140.9 Ų40.97%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-114.9123.4174.2-172.70000108.8V280 L301 P303 R354V280-V397 HydrophobicContact CG1-CG2 4.23Å; V280-V397 HydrophobicContact CG2-CB 3.92Å; V280-V397 HydrophobicContact CG2-CG2 4.02Å; L301-V397 HydrophobicContact CD1-CG2 3.9Å; P303-V397 HydrophobicContact CG-CB 4.03Å; P303-V397 HydrophobicContact CG-CG1 3.42Å; P303-V397 VanDerWaalsContact CG-CG1 3.42Å; R354-V397 HydrophobicContact CB-CB 4.19Å; R354-V397 HydrophobicContact CB-CG1 4.17Å; R354-V397 HydrophobicContact CB-CG2 3.93Å
398Y92Very high90.6Very high0 Ų043 Ų430%026%0.259CS..EExtended strand (participates in β ladder)trans-102.7-53.6-176.4-57.9-74000110.9K305 V352 L353 V369 V371 T387 S388 V390 P396 E400K305-Y398 WeakPolarHBondContact CE-O 3.38Å; K305-Y398 PolarHBondContact NZ-O 2.72Å; V352-Y398 HydrophobicContact CG1-CD2 3.79Å; V352-Y398 HydrophobicContact CG1-CG 4.22Å; L353-Y398 PolarHBondContact O-N 3.2Å; V369-Y398 WeakPolarHBondContact O-CE1 3.38Å; V369-Y398 PolarHBondContact O-OH 3.07Å; V371-Y398 HydrophobicContact CG2-CD2 4.15Å; V371-Y398 HydrophobicContact CG2-CE2 3.62Å; T387-Y398 HydrophobicContact CG2-CD1 3.98Å; T387-Y398 HydrophobicContact CG2-CG 4.02Å; T387-Y398 WeakPolarHBondContact OG1-CD1 3.44Å; T387-Y398 WeakPolarHBondContact OG1-CE1 3.46Å; S388-Y398 WeakPolarHBondContact O-CE1 3.41Å; V390-Y398 HydrophobicContact CB-CE1 4.41Å; V390-Y398 HydrophobicContact CG2-CD1 3.94Å; V390-Y398 HydrophobicContact CG2-CE1 3.67Å; P396-Y398 HydrophobicContact CB-CE1 4.36Å; P396-Y398 HydrophobicContact CB-CE2 3.97Å; P396-Y398 HydrophobicContact CG-CE2 3.81Å; P396-Y398 WeakPolarHBondContact CG-OH 3.45Å; Y398-E400 PolarHBondContact O-N 2.97Å
399N91.2Very high90.5Very high65 Ų6546 Ų4635%0.34828%0.275SS..EExtended strand (participates in β ladder)trans44.558.7-171.5-67.2-16.5000111.7K305 V352 L353K305-N399 PolarHBondContact NZ-O 2.91Å; V352-N399 VanDerWaalsContact O-CA 3.29Å; V352-N399 WeakPolarHBondContact O-CA 3.48Å; V352-N399 PolarHBondContact O-N 2.57Å; L353-N399 WeakPolarHBondContact CA-OD1 3.48Å; L353-N399 WeakPolarHBondContact CD2-OD1 3.48Å; L353-N399 PolarHBondContact O-N 2.87Å; L353-N399 PolarHBondContact O-OD1 2.79Å
400E94.5Very high90.6Very high34 Ų3447.1 Ų47.116%0.15927%0.273CS..EExtended strand (participates in β ladder)trans-123.6137.9-176.9-77.7177.2-121.700111.8V351 V352 T387 S388 Y398 F402V351-E400 CarbonylContact C-O 3.58Å; V351-E400 WeakPolarHBondContact CA-O 3.48Å; V352-E400 PolarHBondContact N-O 3.17Å; V352-E400 PolarHBondContact O-N 2.88Å; T387-E400 WeakPolarHBondContact CA-OE2 3.4Å; S388-E400 VanDerWaalsContact CB-OE1 3.24Å; S388-E400 WeakPolarHBondContact CB-OE1 3.44Å; S388-E400 PolarHBondContact N-OE1 3.01Å; S388-E400 PolarHBondContact N-OE2 3.44Å; S388-E400 PolarHBondContact OG-OE1 2.94Å; Y398-E400 PolarHBondContact O-N 2.97Å; E400-F402 HydrophobicContact CB-CE2 4.14Å; E400-F402 HydrophobicContact CB-CZ 3.95Å
401T96.1Very high90.8Very high91 Ų9146.8 Ų46.856%0.55827%0.271SS*.EExtended strand (participates in β ladder)trans-108.3128.4-174.5-59.10000111.4T349 V351T349-T401 HydrophobicContact CG2-CG2 3.66Å; V351-T401 HydrophobicContact CG2-CG2 4.1Å
402F97.1Very high91.1Very high16 Ų1649.4 Ų49.47%0.0729%0.285CS..EExtended strand (participates in β ladder)trans-122.1118.5179.4-56.6-66.4000110.9T349 V350 V352 V373 K385 K386 T387 E400 F404T349-F402 WeakPolarHBondContact CA-O 3.41Å; V350-F402 PolarHBondContact N-O 3Å; V350-F402 PolarHBondContact O-N 3.35Å; V352-F402 HydrophobicContact CB-CE2 4.21Å; V352-F402 HydrophobicContact CG2-CD2 4Å; V352-F402 HydrophobicContact CG2-CE2 3.74Å; V373-F402 HydrophobicContact CB-CD2 4.41Å; V373-F402 HydrophobicContact CG2-CD2 3.84Å; V373-F402 HydrophobicContact CG2-CE2 3.97Å; K385-F402 HydrophobicContact CB-CD1 3.73Å; K385-F402 HydrophobicContact CB-CE1 4.1Å; K385-F402 HydrophobicContact CB-CG 4.28Å; K385-F402 HydrophobicContact CD-CB 4.03Å; K385-F402 HydrophobicContact CD-CD1 3.76Å; K385-F402 HydrophobicContact CD-CG 4.27Å; K385-F402 HydrophobicContact CG-CD1 4.38Å; K386-F402 WeakPolarHBondContact O-CE1 3.49Å; T387-F402 HydrophobicContact CG2-CE2 3.75Å; T387-F402 HydrophobicContact CG2-CZ 3.7Å; E400-F402 HydrophobicContact CB-CE2 4.14Å; E400-F402 HydrophobicContact CB-CZ 3.95Å; F402-F404 HydrophobicContact CB-CE2 3.82Å; F402-F404 HydrophobicContact CB-CZ 4.39Å
403S96.1Very high91.9Very high47 Ų4748.6 Ų48.633%0.32927%0.27SS..EExtended strand (participates in β ladder)trans-97.4135.3171.2-60.70000111.8L348 K385L348-S403 CarbonylContact O-C 3.59Å; L348-S403 WeakPolarHBondContact O-CA 3.43Å; K385-S403 PolarHBondContact NZ-O 2.84Å
404F96Very high92.5Very high5 Ų548 Ų482%0.02227%0.266CS..EExtended strand (participates in β ladder)trans-120147171.2-60.4-94.5000109R347 L348 V350 V373 L375 K383 K385 F402 L416R347-F404 WeakPolarHBondContact CA-O 3.1Å; L348-F404 HydrophobicContact CB-CB 4.5Å; L348-F404 PolarHBondContact N-O 3.46Å; L348-F404 PolarHBondContact O-N 3.12Å; V350-F404 HydrophobicContact CG2-CD2 4.22Å; V350-F404 HydrophobicContact CG2-CE2 4.09Å; V373-F404 HydrophobicContact CB-CZ 4.23Å; V373-F404 HydrophobicContact CG1-CE2 3.74Å; V373-F404 HydrophobicContact CG1-CZ 3.74Å; L375-F404 HydrophobicContact CB-CD1 3.83Å; L375-F404 HydrophobicContact CB-CE1 4.14Å; L375-F404 HydrophobicContact CB-CG 4.38Å; L375-F404 HydrophobicContact CD2-CB 3.92Å; L375-F404 HydrophobicContact CD2-CD1 4.24Å; L375-F404 HydrophobicContact CD2-CG 4.34Å; K383-F404 HydrophobicContact CB-CD1 4.12Å; K383-F404 HydrophobicContact CB-CE1 4.14Å; K383-F404 HydrophobicContact CD-CD1 4.47Å; K383-F404 HydrophobicContact CG-CD1 4.43Å; K383-F404 HydrophobicContact CG-CE1 4.29Å; K385-F404 HydrophobicContact CB-CZ 4.27Å; K385-F404 HydrophobicContact CD-CE1 4.28Å; K385-F404 HydrophobicContact CD-CZ 4.08Å; K385-F404 HydrophobicContact CG-CE1 4.16Å; K385-F404 HydrophobicContact CG-CZ 4.09Å; F402-F404 HydrophobicContact CB-CE2 3.82Å; F402-F404 HydrophobicContact CB-CZ 4.39Å; F404-L416 HydrophobicContact CE2-CD2 4.47Å
405K94.3Very high92.9Very high145 Ų14544.1 Ų44.163%0.6325%0.246SC*.EExtended strand (participates in β ladder)trans-85.6128.6166.1-168.6-172175.7-158.40107.4S346 D407S346-K405 CarbonylContact O-C 3.47Å; S346-K405 VanDerWaalsContact O-CA 3.3Å; S346-K405 WeakPolarHBondContact O-CA 3.45Å; K405-D407 WeakPolarHBondContact CE-OD1 3.27Å; K405-D407 IonicContact NZ-OD1 3.76Å; K405-D407 IonicContact NZ-OD2 3.12Å
406A92.8Very high93.3Very high2 Ų242 Ų422%0.01724%0.235CC..  trans-149.7120173.100000106.4Y341 S346 L348 L411Y341-A406 WeakPolarHBondContact CE2-O 3.45Å; Y341-A406 PolarHBondContact OH-O 3.33Å; Y341-A406 VanDerWaalsContact OH-O 3.08Å; S346-A406 CarbonylContact C-O 3.42Å; S346-A406 VanDerWaalsContact C-O 3.24Å; S346-A406 WeakPolarHBondContact CA-O 3.48Å; S346-A406 WeakPolarHBondContact CB-O 3.43Å; S346-A406 PolarHBondContact O-N 3.01Å; S346-A406 VanDerWaalsContact O-O 3.05Å; L348-A406 HydrophobicContact CB-CB 4.48Å; A406-L411 HydrophobicContact CB-CD2 4.24Å
407D93.1Very high93.5Very high55 Ų5542.6 Ų42.629%0.29424%0.24SC..  trans-78152.4-179.9-67.2-49000109.9S346 K405 T409 E410S346-D407 WeakPolarHBondContact CB-OD1 3.28Å; S346-D407 PolarHBondContact OG-OD1 2.87Å; K405-D407 WeakPolarHBondContact CE-OD1 3.27Å; K405-D407 IonicContact NZ-OD1 3.76Å; K405-D407 IonicContact NZ-OD2 3.12Å; D407-T409 PolarHBondContact O-N 2.91Å; D407-T409 VanDerWaalsContact O-N 3.12Å; D407-E410 HydrophobicContact CB-CG 4.34Å; D407-E410 PolarHBondContact N-OE2 3.06Å; D407-E410 WeakPolarHBondContact O-CA 3.42Å; D407-E410 WeakPolarHBondContact O-CB 3.06Å; D407-E410 PolarHBondContact O-N 2.89Å
408A91.3Very high93.9Very high54 Ų5442.1 Ų42.145%0.44624%0.236SC..G310 helixtrans-57.9-34.5-169.800000113.6Y341 E410 L411Y341-A408 PolarHBondContact OH-N 2.84Å; A408-E410 PolarHBondContact O-N 2.58Å; A408-L411 PolarHBondContact O-N 2.85Å
409T90.3Very high94Very high125 Ų12542.6 Ų42.677%0.76724%0.239SC*.G310 helixtrans-69-16.8175.352.50000114.3D407D407-T409 PolarHBondContact O-N 2.91Å; D407-T409 VanDerWaalsContact O-N 3.12Å
410E90.4Very high94.2Very high68 Ų6839.5 Ų39.532%0.31822%0.223SC..G310 helixtrans-90.1-14.8177.6-58.3-173.5114.400112.4N377 D407 A408 D412 T413 A414N377-E410 PolarHBondContact ND2-OE1 2.58Å; D407-E410 HydrophobicContact CB-CG 4.34Å; D407-E410 PolarHBondContact N-OE2 3.06Å; D407-E410 WeakPolarHBondContact O-CA 3.42Å; D407-E410 WeakPolarHBondContact O-CB 3.06Å; D407-E410 PolarHBondContact O-N 2.89Å; A408-E410 PolarHBondContact O-N 2.58Å; E410-D412 VanDerWaalsContact C-N 3.32Å; E410-D412 PolarHBondContact O-N 2.9Å; E410-T413 CarbonylContact O-C 3.56Å; E410-T413 PolarHBondContact O-N 2.95Å; E410-T413 PolarHBondContact O-OG1 3Å; E410-T413 VanDerWaalsContact O-OG1 3.06Å; E410-A414 VanDerWaalsContact O-CB 3.29Å; E410-A414 WeakPolarHBondContact O-CB 3.13Å; E410-A414 PolarHBondContact O-N 2.88Å
411L91.6Very high94.2Very high9 Ų938 Ų385%0.04722%0.216CC..G310 helixtrans-63.8-35.6-173.2-69176.8000112.9Y341 A406 A408 T413 A414 P439 W451 L455Y341-L411 HydrophobicContact CD1-CD1 3.86Å; Y341-L411 HydrophobicContact CD2-CD1 4.24Å; Y341-L411 HydrophobicContact CD2-CD2 4.2Å; Y341-L411 HydrophobicContact CE1-CD1 3.53Å; Y341-L411 HydrophobicContact CE2-CD1 3.97Å; Y341-L411 HydrophobicContact CE2-CD2 3.99Å; Y341-L411 HydrophobicContact CE2-CG 4.39Å; Y341-L411 HydrophobicContact CG-CD1 4.2Å; A406-L411 HydrophobicContact CB-CD2 4.24Å; A408-L411 PolarHBondContact O-N 2.85Å; L411-T413 PolarHBondContact O-N 3.15Å; L411-A414 PolarHBondContact O-N 3.05Å; L411-P439 WeakPolarHBondContact O-CG 3.27Å; L411-W451 HydrophobicContact CB-CZ2 4.45Å; L411-W451 HydrophobicContact CD2-CH2 4.39Å; L411-W451 HydrophobicContact CD2-CZ2 4.07Å; L411-L455 HydrophobicContact CD1-CD2 3.62Å
412D91Very high93.9Very high115 Ų11533.7 Ų33.762%0.61519%0.189SC*.G310 helixtrans-65.2-18.4176-68.1-26.3000113.2E410 P439E410-D412 VanDerWaalsContact C-N 3.32Å; E410-D412 PolarHBondContact O-N 2.9Å; D412-P439 WeakPolarHBondContact O-CG 3.33Å
413T93.2Very high93.4Very high33 Ų3335.3 Ų35.320%0.20220%0.199CC..G310 helixtrans-1181.7-179.657.60000113.2N377 H378 E410 L411 Y442N377-T413 CarbonylContact C-O 3.54Å; N377-T413 WeakPolarHBondContact CA-O 3.15Å; N377-T413 WeakPolarHBondContact OD1-CB 3.19Å; N377-T413 PolarHBondContact OD1-O 3.34Å; N377-T413 PolarHBondContact OD1-OG1 2.95Å; H378-T413 WeakPolarHBondContact CE1-CB 3.49Å; H378-T413 PolarHBondContact CE1-OG1 2.84Å; H378-T413 PolarHBondContact N-O 3.09Å; H378-T413 WeakPolarHBondContact ND1-CB 3.36Å; H378-T413 PolarHBondContact ND1-OG1 2.81Å; E410-T413 CarbonylContact O-C 3.56Å; E410-T413 PolarHBondContact O-N 2.95Å; E410-T413 PolarHBondContact O-OG1 3Å; E410-T413 VanDerWaalsContact O-OG1 3.06Å; L411-T413 PolarHBondContact O-N 3.15Å; T413-Y442 PolarHBondContact O-OH 2.86Å
414A94.9Very high92.8Very high2 Ų234.9 Ų34.92%0.01719%0.192CC..EExtended strand (participates in β ladder)trans-90.7146.6178.800000111.2L375 M376 E410 L411 P439 W451L375-A414 HydrophobicContact CD1-CB 4.3Å; M376-A414 CarbonylContact O-C 3.57Å; M376-A414 VanDerWaalsContact O-CA 3.3Å; M376-A414 WeakPolarHBondContact O-CA 3.36Å; E410-A414 VanDerWaalsContact O-CB 3.29Å; E410-A414 WeakPolarHBondContact O-CB 3.13Å; E410-A414 PolarHBondContact O-N 2.88Å; L411-A414 PolarHBondContact O-N 3.05Å; A414-P439 WeakPolarHBondContact O-CD 3.39Å; A414-W451 HydrophobicContact CB-CH2 4.33Å; A414-W451 HydrophobicContact CB-CZ2 4.42Å
415S95.6Very high91.8Very high4 Ų441.3 Ų41.33%0.02822%0.222CC..EExtended strand (participates in β ladder)trans-143.8147165.954.20000111.4M376 V437M376-S415 WeakPolarHBondContact CB-O 3.35Å; M376-S415 PolarHBondContact N-O 3Å; M376-S415 PolarHBondContact O-N 3.02Å; S415-V437 WeakPolarHBondContact CA-O 3.48Å
416L96.1Very high90.6Very high0 Ų037.5 Ų37.50%022%0.224CC..EExtended strand (participates in β ladder)trans-103.7122.6175.5-75.5173.5000109.6L339 L348 V350 V373 S374 L375 F404 L418 V436 V437 W451L339-L416 HydrophobicContact CD2-CD1 3.65Å; L348-L416 HydrophobicContact CD1-CD1 4.45Å; L348-L416 HydrophobicContact CD2-CD1 3.78Å; L348-L416 HydrophobicContact CD2-CD2 4.17Å; L348-L416 HydrophobicContact CD2-CG 3.97Å; L348-L416 HydrophobicContact CG-CD1 4.21Å; V350-L416 HydrophobicContact CG2-CD1 3.44Å; V350-L416 VanDerWaalsContact CG2-CD1 3.44Å; V350-L416 HydrophobicContact CG2-CD2 4.22Å; V373-L416 HydrophobicContact CG1-CD2 4.43Å; S374-L416 WeakPolarHBondContact O-CA 3.4Å; L375-L416 HydrophobicContact CB-CD2 4.16Å; L375-L416 HydrophobicContact CD1-CD2 3.93Å; L375-L416 HydrophobicContact CD1-CG 4.42Å; F404-L416 HydrophobicContact CE2-CD2 4.47Å; L416-L418 HydrophobicContact CB-CD1 4.28Å; L416-V436 CarbonylContact O-C 3.59Å; L416-V436 VanDerWaalsContact O-CA 3.29Å; L416-V436 WeakPolarHBondContact O-CA 3.45Å; L416-V437 HydrophobicContact CB-CG2 3.75Å; L416-V437 HydrophobicContact CD1-CG2 4.36Å; L416-V437 PolarHBondContact N-O 2.91Å; L416-V437 PolarHBondContact O-N 2.85Å; L416-W451 HydrophobicContact CD1-CZ3 4.09Å; L416-W451 HydrophobicContact CG-CZ3 4.21Å
417S95.9Very high89.4Confident14 Ų1444.7 Ų44.710%0.09826%0.262CS..EExtended strand (participates in β ladder)trans-101.7116.2168.9173.90000109.4S374 T419 R434S374-S417 PolarHBondContact N-O 2.99Å; S374-S417 PolarHBondContact O-N 2.94Å; S417-T419 PolarHBondContact OG-OG1 2.85Å; S417-R434 VanDerWaalsContact OG-CD 3.27Å; S417-R434 WeakPolarHBondContact OG-CD 3.39Å
418L97.4Very high88.6Confident0 Ų049.1 Ų49.10%028%0.279CS..EExtended strand (participates in β ladder)trans-102.2114.1169.6-62.888.3000108.8L335 F337 V350 V352 V371 K372 V373 L416 R434 V435 V437L335-L418 HydrophobicContact CD2-CB 3.79Å; L335-L418 HydrophobicContact CD2-CD2 3.91Å; F337-L418 HydrophobicContact CB-CD2 4.19Å; F337-L418 HydrophobicContact CD1-CD2 3.81Å; F337-L418 HydrophobicContact CD2-CD1 4.43Å; F337-L418 HydrophobicContact CD2-CD2 4.04Å; F337-L418 HydrophobicContact CE1-CD1 4.25Å; F337-L418 HydrophobicContact CE1-CD2 4.15Å; F337-L418 HydrophobicContact CE2-CD1 3.98Å; F337-L418 HydrophobicContact CE2-CD2 4.37Å; F337-L418 HydrophobicContact CG-CD2 3.75Å; F337-L418 HydrophobicContact CZ-CD1 3.88Å; F337-L418 HydrophobicContact CZ-CD2 4.42Å; V350-L418 HydrophobicContact CG1-CD2 4.18Å; V352-L418 HydrophobicContact CG2-CD2 4.04Å; V371-L418 HydrophobicContact CG1-CB 4.17Å; K372-L418 WeakPolarHBondContact O-CA 3.35Å; V373-L418 HydrophobicContact CG1-CG 4.37Å; V373-L418 HydrophobicContact CG2-CD2 4.22Å; V373-L418 HydrophobicContact CG2-CG 4.32Å; L416-L418 HydrophobicContact CB-CD1 4.28Å; L418-R434 WeakPolarHBondContact O-CA 3.48Å; L418-V435 HydrophobicContact CB-CG1 3.82Å; L418-V435 HydrophobicContact CD1-CG1 4.43Å; L418-V435 PolarHBondContact N-O 3.29Å; L418-V435 PolarHBondContact O-N 3.37Å; L418-V437 HydrophobicContact CD1-CG2 4.4Å
419T96.1Very high88.4Confident10 Ų1049.7 Ų49.76%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-115.5120.5-175.9-60.60000110.1V371 K372 S417 V421 Q431V371-T419 CarbonylContact C-O 3.5Å; V371-T419 WeakPolarHBondContact CA-O 3.42Å; K372-T419 PolarHBondContact N-O 3.3Å; K372-T419 PolarHBondContact O-N 2.84Å; S417-T419 PolarHBondContact OG-OG1 2.85Å; T419-V421 HydrophobicContact CG2-CG2 3.87Å; T419-Q431 HydrophobicContact CG2-CB 4.46Å; T419-Q431 HydrophobicContact CG2-CG 3.56Å; T419-Q431 VanDerWaalsContact CG2-OE1 3.23Å
420V95.3Very high88.3Confident0 Ų047.8 Ų47.80%026%0.262CS..EExtended strand (participates in β ladder)trans-83.4124173.8-174.50000108.9L335 L358 V369 V371 L432 G433 L468L335-V420 HydrophobicContact CD1-CG2 4.39Å; L335-V420 HydrophobicContact CD2-CG2 4.45Å; L358-V420 HydrophobicContact CD1-CG1 3.91Å; L358-V420 HydrophobicContact CD2-CG1 4.17Å; V369-V420 HydrophobicContact CG1-CG1 3.55Å; V371-V420 HydrophobicContact CG2-CG2 4.29Å; V420-L432 HydrophobicContact CB-CB 4.46Å; V420-L432 HydrophobicContact CG1-CB 4.34Å; V420-L432 HydrophobicContact CG1-CD1 4.15Å; V420-L432 PolarHBondContact O-N 2.9Å; V420-G433 PolarHBondContact N-O 3.06Å; V420-L468 HydrophobicContact CB-CD1 4.3Å; V420-L468 HydrophobicContact CG2-CD1 3.67Å; V420-L468 HydrophobicContact CG2-CD2 3.81Å; V420-L468 HydrophobicContact CG2-CG 4.43Å
421V92.8Very high88.3Confident3 Ų347.1 Ų47.12%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-123127.9-175.7-1770000109.7V369 F370 K372 T419 Q430V369-V421 WeakPolarHBondContact CA-O 3.41Å; F370-V421 HydrophobicContact CD1-CB 4.42Å; F370-V421 HydrophobicContact CE1-CB 3.92Å; F370-V421 HydrophobicContact CE1-CG1 3.79Å; F370-V421 HydrophobicContact CE2-CB 4.12Å; F370-V421 HydrophobicContact CE2-CG1 4.49Å; F370-V421 HydrophobicContact CE2-CG2 4.49Å; F370-V421 HydrophobicContact CZ-CB 3.76Å; F370-V421 HydrophobicContact CZ-CG1 3.68Å; F370-V421 HydrophobicContact CZ-CG2 4.44Å; F370-V421 PolarHBondContact N-O 3.13Å; F370-V421 PolarHBondContact O-N 3.2Å; K372-V421 HydrophobicContact CD-CG2 3.94Å; K372-V421 HydrophobicContact CG-CG2 4.1Å; T419-V421 HydrophobicContact CG2-CG2 3.87Å; V421-Q430 WeakPolarHBondContact CA-O 3.41Å
422Q90.5Very high88.3Confident0 Ų047.6 Ų47.60%026%0.262CS..EExtended strand (participates in β ladder)trans-87.3123.2167.4-169.8-175.1-8.400108.6Q361 V367 S368 S429 Q430 L432Q361-Q422 PolarHBondContact O-NE2 3.38Å; V367-Q422 HydrophobicContact CG1-CG 3.44Å; V367-Q422 VanDerWaalsContact CG1-CG 3.44Å; V367-Q422 VanDerWaalsContact CG1-NE2 3.28Å; V367-Q422 VanDerWaalsContact CG2-NE2 3.31Å; S368-Q422 CarbonylContact O-C 3.55Å; S368-Q422 WeakPolarHBondContact O-CA 3.38Å; Q422-S429 CarbonylContact O-C 3.55Å; Q422-S429 WeakPolarHBondContact O-CA 3.49Å; Q422-Q430 HydrophobicContact CB-CB 4.49Å; Q422-Q430 PolarHBondContact N-O 2.9Å; Q422-Q430 PolarHBondContact O-N 3.3Å; Q422-L432 HydrophobicContact CB-CD1 4.11Å; Q422-L432 HydrophobicContact CB-CD2 3.81Å; Q422-L432 HydrophobicContact CB-CG 3.88Å
423N87.6Confident88.4Confident51 Ų5142.1 Ų42.127%0.27323%0.232SC..EExtended strand (participates in β ladder)trans-87.5134.7164.7-157.329.5000109.5S368 F370S368-N423 PolarHBondContact N-O 2.93Å; S368-N423 PolarHBondContact O-N 3.08Å; S368-N423 WeakPolarHBondContact OG-CB 3.38Å; F370-N423 HydrophobicContact CE1-CB 4.4Å
424M82.8Confident88.5Confident37 Ų3744.4 Ų44.418%0.18224%0.237CC..  trans-111.2170.2176.5-57.9178.6163.100110.5Q361 K428 Q430Q361-M424 HydrophobicContact CB-CE 3.68Å; Q361-M424 HydrophobicContact CG-CE 3.85Å; M424-K428 HydrophobicContact CB-CB 4.3Å; M424-K428 VanDerWaalsContact CB-O 3.28Å; M424-K428 WeakPolarHBondContact CB-O 3.49Å; M424-K428 PolarHBondContact N-O 2.82Å; M424-Q430 HydrophobicContact CE-CB 3.85Å; M424-Q430 HydrophobicContact CE-CG 4.43Å; M424-Q430 HydrophobicContact SD-CB 4.45Å
425E74.9Confident88.5Confident141 Ų14144.6 Ų44.666%0.65924%0.238SC*.THydrogen-bonded Turntrans-66.3135.5174.1-160.7160.7166.600110.7G365G365-E425 WeakPolarHBondContact CA-OE2 3.01Å
426G69.3Low88.5Confident65 Ų6546.6 Ų46.667%0.6725%0.25SC*.THydrogen-bonded Turntrans83.636-178.400000116.3K428G426-K428 PolarHBondContact O-N 3.2Å; G426-K428 VanDerWaalsContact O-N 3.11Å
427D66.7Low88.5Confident152 Ų15246.6 Ų46.681%0.81325%0.25SC*.SBendtrans58.820.5174.6-156.735.2000115.6
428K77.8Confident88.5Confident149 Ų14945.9 Ų45.965%0.64825%0.245SC*.  trans-88.2118.2172.5-68176.8-176.3174.70109.4M424 G426M424-K428 HydrophobicContact CB-CB 4.3Å; M424-K428 VanDerWaalsContact CB-O 3.28Å; M424-K428 WeakPolarHBondContact CB-O 3.49Å; M424-K428 PolarHBondContact N-O 2.82Å; G426-K428 PolarHBondContact O-N 3.2Å; G426-K428 VanDerWaalsContact O-N 3.11Å
429S86.1Confident88.3Confident65 Ų6546.3 Ų46.346%0.45525%0.248SC..EExtended strand (participates in β ladder)trans-107.4118.3174.380.50000111.2Q422Q422-S429 CarbonylContact O-C 3.55Å; Q422-S429 WeakPolarHBondContact O-CA 3.49Å
430Q88.1Confident88.1Confident85 Ų8553.2 Ų53.240%0.39727%0.274SS..EExtended strand (participates in β ladder)trans-97.4133.3175.9178.855.843.800110.6V421 Q422 M424V421-Q430 WeakPolarHBondContact CA-O 3.41Å; Q422-Q430 HydrophobicContact CB-CB 4.49Å; Q422-Q430 PolarHBondContact N-O 2.9Å; Q422-Q430 PolarHBondContact O-N 3.3Å; M424-Q430 HydrophobicContact CE-CB 3.85Å; M424-Q430 HydrophobicContact CE-CG 4.43Å; M424-Q430 HydrophobicContact SD-CB 4.45Å
431Q91.3Very high87.8Confident55 Ų5559.1 Ų59.126%0.25730%0.303SS..EExtended strand (participates in β ladder)trans-79.1125.4170.3177.1164.5-31.300110.2T419 T471T419-Q431 HydrophobicContact CG2-CB 4.46Å; T419-Q431 HydrophobicContact CG2-CG 3.56Å; T419-Q431 VanDerWaalsContact CG2-OE1 3.23Å; Q431-T471 PolarHBondContact NE2-OG1 3.22Å
432L90.9Very high87.6Confident19 Ų1962.4 Ų62.410%0.09932%0.315CS..EExtended strand (participates in β ladder)trans-86.4-39.3177.2-62.1-172.4000112L358 R359 L360 V369 V420 Q422L358-L432 HydrophobicContact CB-CD1 4.4Å; R359-L432 WeakPolarHBondContact O-CD2 3.39Å; L360-L432 HydrophobicContact CD2-CD1 3.72Å; V369-L432 HydrophobicContact CG1-CD1 4.34Å; V420-L432 HydrophobicContact CB-CB 4.46Å; V420-L432 HydrophobicContact CG1-CB 4.34Å; V420-L432 HydrophobicContact CG1-CD1 4.15Å; V420-L432 PolarHBondContact O-N 2.9Å; Q422-L432 HydrophobicContact CB-CD1 4.11Å; Q422-L432 HydrophobicContact CB-CD2 3.81Å; Q422-L432 HydrophobicContact CB-CG 3.88Å
433G93Very high87.6Confident0 Ų063 Ų630%032%0.319CS..EExtended strand (participates in β ladder)trans-178.8166.9-179.300000112.1V420 C469V420-G433 PolarHBondContact N-O 3.06Å; G433-C469 WeakPolarHBondContact CA-O 3.28Å
434R95Very high87.9Confident81 Ų8169.8 Ų69.831%0.30634%0.341SS..EExtended strand (participates in β ladder)trans-140143.3-178.5174.3178.164.9-1610.5110.2S417 L418 V436 C469 T471S417-R434 VanDerWaalsContact OG-CD 3.27Å; S417-R434 WeakPolarHBondContact OG-CD 3.39Å; L418-R434 WeakPolarHBondContact O-CA 3.48Å; R434-V436 HydrophobicContact CG-CG2 4.17Å; R434-C469 PolarHBondContact N-O 3.11Å; R434-C469 PolarHBondContact O-N 3.18Å; R434-T471 VanDerWaalsContact CZ-CG2 3.43Å
435V95.9Very high88.4Confident5 Ų570.1 Ų70.13%0.0335%0.354CS..EExtended strand (participates in β ladder)trans-117.914316157.30000108.3L335 F337 L418 V437 E447 H466 L468L335-V435 HydrophobicContact CD2-CG1 4.17Å; F337-V435 HydrophobicContact CE1-CG1 3.9Å; F337-V435 HydrophobicContact CZ-CG1 4.42Å; L418-V435 HydrophobicContact CB-CG1 3.82Å; L418-V435 HydrophobicContact CD1-CG1 4.43Å; L418-V435 PolarHBondContact N-O 3.29Å; L418-V435 PolarHBondContact O-N 3.37Å; V435-V437 HydrophobicContact CG2-CG1 4.28Å; V435-E447 HydrophobicContact CG2-CG 4.01Å; V435-H466 HydrophobicContact CB-CB 4.32Å; V435-H466 HydrophobicContact CG2-CB 3.71Å; V435-L468 HydrophobicContact CG1-CD2 4.46Å
436V95.6Very high89.2Confident46 Ų4668.8 Ų68.828%0.27934%0.343SS..EExtended strand (participates in β ladder)trans-118.5137.5170.6-177.50000107.3L416 R434 T443 E447L416-V436 CarbonylContact O-C 3.59Å; L416-V436 VanDerWaalsContact O-CA 3.29Å; L416-V436 WeakPolarHBondContact O-CA 3.45Å; R434-V436 HydrophobicContact CG-CG2 4.17Å; V436-T443 HydrophobicContact CB-CG2 4.35Å; V436-T443 HydrophobicContact CG1-CG2 4.06Å; V436-T443 WeakPolarHBondContact O-CG2 3.22Å; V436-E447 WeakPolarHBondContact O-CB 3.06Å; V436-E447 WeakPolarHBondContact O-CG 3.38Å
437V96.3Very high90.5Very high0 Ų067.5 Ų67.50%032%0.32CS..EExtended strand (participates in β ladder)trans-128.9145.7172.8-64.50000109.4F337 L339 S415 L416 L418 V435 E447 W451F337-V437 HydrophobicContact CE2-CG1 4.35Å; F337-V437 HydrophobicContact CE2-CG2 4.2Å; F337-V437 HydrophobicContact CZ-CG1 3.81Å; F337-V437 HydrophobicContact CZ-CG2 4.32Å; L339-V437 HydrophobicContact CD1-CG2 4.02Å; S415-V437 WeakPolarHBondContact CA-O 3.48Å; L416-V437 HydrophobicContact CB-CG2 3.75Å; L416-V437 HydrophobicContact CD1-CG2 4.36Å; L416-V437 PolarHBondContact N-O 2.91Å; L416-V437 PolarHBondContact O-N 2.85Å; L418-V437 HydrophobicContact CD1-CG2 4.4Å; V435-V437 HydrophobicContact CG2-CG1 4.28Å; V437-E447 HydrophobicContact CG1-CB 4.1Å; V437-E447 HydrophobicContact CG1-CG 4.4Å; V437-W451 HydrophobicContact CG2-CE3 4.4Å
438G95.1Very high91.9Very high0 Ų061.6 Ų61.60%029%0.288CS..  trans170.1-179.7-174.100000111.8T443 L448 W451G438-T443 PolarHBondContact O-OG1 3.09Å; G438-L448 WeakPolarHBondContact O-CD1 3.27Å; G438-W451 VanDerWaalsContact C-CG 3.45Å
439P94Very high92.7Very high9 Ų958.9 Ų58.96%0.05828%0.277CS..SBendtrans-65.8171.2176.629.8-35.4000112.1L411 D412 A414 M441 Y442 T443L411-P439 WeakPolarHBondContact O-CG 3.27Å; D412-P439 WeakPolarHBondContact O-CG 3.33Å; A414-P439 WeakPolarHBondContact O-CD 3.39Å; P439-M441 PolarHBondContact O-N 3.5Å; P439-Y442 HydrophobicContact CG-CD2 3.87Å; P439-Y442 HydrophobicContact CG-CE2 4.12Å; P439-Y442 PolarHBondContact O-N 2.88Å; P439-T443 PolarHBondContact O-N 3.06Å
440Y91.6Very high93.2Very high155 Ų15555.8 Ų55.861%0.60826%0.256SS*.THydrogen-bonded Turntrans-56.1-20.8-16888.6-87.8000115.6Y442Y440-Y442 VanDerWaalsContact C-N 3.3Å
441M89.1Confident93.6Very high124 Ų12451.8 Ų51.861%0.61124%0.237SC*.THydrogen-bonded Turntrans-68-27.3176.2-71.6-65-71.700113.1P439P439-M441 PolarHBondContact O-N 3.5Å
442Y88.4Confident93.8Very high71 Ų7152.9 Ų52.928%0.27825%0.245SC..THydrogen-bonded Turntrans-110.7-30.8-176.3-57-72.3000113.3N379 T413 P439 Y440N379-Y442 WeakPolarHBondContact OD1-CE1 3.43Å; T413-Y442 PolarHBondContact O-OH 2.86Å; P439-Y442 HydrophobicContact CG-CD2 3.87Å; P439-Y442 HydrophobicContact CG-CE2 4.12Å; P439-Y442 PolarHBondContact O-N 2.88Å; Y440-Y442 VanDerWaalsContact C-N 3.3Å
443T91.2Very high94Very high13 Ų1354.1 Ų54.18%0.0825%0.25CS..  trans-138.5165-173.273.30000113.2V436 G438 P439 E447 L448V436-T443 HydrophobicContact CB-CG2 4.35Å; V436-T443 HydrophobicContact CG1-CG2 4.06Å; V436-T443 WeakPolarHBondContact O-CG2 3.22Å; G438-T443 PolarHBondContact O-OG1 3.09Å; P439-T443 PolarHBondContact O-N 3.06Å; T443-E447 HydrophobicContact CG2-CB 4.36Å; T443-L448 WeakPolarHBondContact OG1-CA 3.47Å; T443-L448 PolarHBondContact OG1-N 2.87Å
444R91.9Very high94.2Very high193 Ų19354.1 Ų54.173%0.72825%0.25SS*.  trans-142.8158.2-177.1-63-70.9178.581.10.4108.2
445G93.8Very high94.1Very high45 Ų4553.2 Ų53.246%0.46425%0.251SS..THydrogen-bonded Turntrans68.6-140.8175.700000112.8E447 L448 E449G445-E447 PolarHBondContact O-N 3.23Å; G445-L448 WeakPolarHBondContact O-CB 3.48Å; G445-L448 PolarHBondContact O-N 2.92Å; G445-L448 VanDerWaalsContact O-N 3.08Å; G445-E449 WeakPolarHBondContact O-CG 3.29Å; G445-E449 PolarHBondContact O-N 2.83Å
446R93Very high94Very high112 Ų11257 Ų5742%0.42328%0.277SS..Hα-helixtrans-61.1-32.1-170.7-62.2-170-62.5-166.50.9113.1H450 H466R446-H450 WeakPolarHBondContact O-CB 3.47Å; R446-H450 PolarHBondContact O-N 2.87Å; R446-H466 PolarHBondContact O-CE1 3.27Å
447E95.1Very high93.8Very high39 Ų3958.5 Ų58.518%0.18228%0.28CS..Hα-helixtrans-67.7-38.6179-67.771.9-164.600111.7V435 V436 V437 T443 G445 H466V435-E447 HydrophobicContact CG2-CG 4.01Å; V436-E447 WeakPolarHBondContact O-CB 3.06Å; V436-E447 WeakPolarHBondContact O-CG 3.38Å; V437-E447 HydrophobicContact CG1-CB 4.1Å; V437-E447 HydrophobicContact CG1-CG 4.4Å; T443-E447 HydrophobicContact CG2-CB 4.36Å; G445-E447 PolarHBondContact O-N 3.23Å; E447-H466 IonicContact OE1-ND1 2.69Å
448L95.8Very high93.4Very high27 Ų2761.6 Ų61.614%0.14130%0.301CS..Hα-helixtrans-74.2-47.5173.4175.659.7000110.8G438 T443 G445 H450 W451 D452G438-L448 WeakPolarHBondContact O-CD1 3.27Å; T443-L448 WeakPolarHBondContact OG1-CA 3.47Å; T443-L448 PolarHBondContact OG1-N 2.87Å; G445-L448 WeakPolarHBondContact O-CB 3.48Å; G445-L448 PolarHBondContact O-N 2.92Å; G445-L448 VanDerWaalsContact O-N 3.08Å; L448-H450 PolarHBondContact O-N 2.86Å; L448-H450 VanDerWaalsContact O-N 3.17Å; L448-W451 WeakPolarHBondContact O-CA 3.29Å; L448-W451 WeakPolarHBondContact O-CB 3.49Å; L448-W451 PolarHBondContact O-N 2.96Å; L448-D452 WeakPolarHBondContact CD1-OD2 3.48Å; L448-D452 WeakPolarHBondContact CG-OD2 3.38Å; L448-D452 PolarHBondContact O-N 3.49Å
449E96.5Very high92.9Very high92 Ų9267.6 Ų67.643%0.4333%0.326SS..Hα-helixtrans-54-37.1176.2-70.4168.2-152.900112.5G445 E453 R464G445-E449 WeakPolarHBondContact O-CG 3.29Å; G445-E449 PolarHBondContact O-N 2.83Å; E449-E453 WeakPolarHBondContact O-CB 3.35Å; E449-E453 PolarHBondContact O-N 3.45Å; E449-R464 IonicContact OE2-CZ 3.71Å; E449-R464 IonicContact OE2-NH1 3.8Å; E449-R464 PolarHBondContact OE2-NH1 2.94Å; E449-R464 IonicContact OE2-NH2 3.61Å
450H96.7Very high92.8Very high0 Ų072.7 Ų72.70%035%0.349CS..Hα-helixtrans-68.4-36.2177.7-169.8-168000112.5F337 L339 R446 L448 M454 V462 R464 H466F337-H450 AromaticContact CD2-CE1 2.87Å; F337-H450 WeakPolarHBondContact CD2-CE1 3.43Å; F337-H450 AromaticContact CE2-CE1 2.93Å; F337-H450 WeakPolarHBondContact CE2-CE1 3.44Å; F337-H450 AromaticContact CE2-ND1 3.58Å; F337-H450 AromaticContact CG-CE1 3.57Å; F337-H450 AromaticContact CZ-CE1 3.68Å; F337-H450 AromaticContact CZ-ND1 3.88Å; F337-H450 PolarHBondContact O-CE1 2.93Å; L339-H450 PolarHBondContact N-NE2 3.07Å; L339-H450 VanDerWaalsContact N-NE2 3.13Å; R446-H450 WeakPolarHBondContact O-CB 3.47Å; R446-H450 PolarHBondContact O-N 2.87Å; L448-H450 PolarHBondContact O-N 2.86Å; L448-H450 VanDerWaalsContact O-N 3.17Å; H450-M454 WeakPolarHBondContact O-CB 3.3Å; H450-M454 PolarHBondContact O-N 2.92Å; H450-M454 VanDerWaalsContact O-N 3.16Å; H450-V462 WeakPolarHBondContact NE2-CB 3.42Å; H450-V462 PolarHBondContact NE2-O 3.19Å; H450-R464 HydrophobicContact CB-CB 4.45Å; H450-R464 HydrophobicContact CB-CG 3.96Å; H450-R464 VanDerWaalsContact CD2-CG 3.44Å; H450-R464 WeakPolarHBondContact CD2-CG 3.36Å; H450-H466 AromaticContact CG-NE2 3.6Å; H450-H466 AromaticContact ND1-CD2 3.83Å; H450-H466 AromaticContact ND1-CE1 3.76Å; H450-H466 AromaticContact ND1-NE2 2.87Å; H450-H466 PolarHBondContact ND1-NE2 2.88Å
451W96.3Very high92.9Very high1 Ų169.9 Ų69.90%0.00435%0.345CS..Hα-helixtrans-71.1-47.6176.3-173-93.5000111.4L339 L348 L411 A414 L416 V437 G438 L448 E453 M454 L455L339-W451 HydrophobicContact CD1-CE3 4.38Å; L348-W451 HydrophobicContact CD2-CH2 3.92Å; L348-W451 HydrophobicContact CD2-CZ3 4.12Å; L411-W451 HydrophobicContact CB-CZ2 4.45Å; L411-W451 HydrophobicContact CD2-CH2 4.39Å; L411-W451 HydrophobicContact CD2-CZ2 4.07Å; A414-W451 HydrophobicContact CB-CH2 4.33Å; A414-W451 HydrophobicContact CB-CZ2 4.42Å; L416-W451 HydrophobicContact CD1-CZ3 4.09Å; L416-W451 HydrophobicContact CG-CZ3 4.21Å; V437-W451 HydrophobicContact CG2-CE3 4.4Å; G438-W451 VanDerWaalsContact C-CG 3.45Å; L448-W451 WeakPolarHBondContact O-CA 3.29Å; L448-W451 WeakPolarHBondContact O-CB 3.49Å; L448-W451 PolarHBondContact O-N 2.96Å; W451-E453 PolarHBondContact O-N 3.1Å; W451-M454 HydrophobicContact CD2-CE 3.84Å; W451-M454 HydrophobicContact CE3-CE 3.88Å; W451-M454 HydrophobicContact CG-CE 4.41Å; W451-M454 HydrophobicContact CH2-CE 4.31Å; W451-M454 HydrophobicContact CZ2-CE 4.26Å; W451-M454 HydrophobicContact CZ3-CE 4.13Å; W451-M454 WeakPolarHBondContact O-CB 3.48Å; W451-M454 PolarHBondContact O-N 3.38Å; W451-L455 WeakPolarHBondContact O-CG 3.45Å; W451-L455 PolarHBondContact O-N 3.04Å; W451-L455 VanDerWaalsContact O-N 3.1Å
452D95.4Very high93.1Very high78 Ų7864.4 Ų64.442%0.41732%0.318SS..Hα-helixtrans-66.2-39.2179.2-64.2-14000111.3L448 M454 L455 S456L448-D452 WeakPolarHBondContact CD1-OD2 3.48Å; L448-D452 WeakPolarHBondContact CG-OD2 3.38Å; L448-D452 PolarHBondContact O-N 3.49Å; D452-M454 PolarHBondContact O-N 2.85Å; D452-L455 PolarHBondContact O-N 2.83Å; D452-S456 PolarHBondContact O-N 3.44Å; D452-S456 PolarHBondContact O-OG 2.88Å
453E95.3Very high93.4Very high46 Ų4665.9 Ų65.922%0.21533%0.326CS..Hα-helixtrans-63.6-41.6175.2-172177.5-172.900111.3E449 W451 L455 S456 K457 V462 R464E449-E453 WeakPolarHBondContact O-CB 3.35Å; E449-E453 PolarHBondContact O-N 3.45Å; W451-E453 PolarHBondContact O-N 3.1Å; E453-L455 VanDerWaalsContact C-N 3.32Å; E453-L455 PolarHBondContact O-N 2.87Å; E453-S456 WeakPolarHBondContact CA-OG 3.29Å; E453-S456 PolarHBondContact O-N 2.86Å; E453-S456 PolarHBondContact O-OG 2.91Å; E453-K457 HydrophobicContact CG-CD 4.08Å; E453-K457 PolarHBondContact O-N 2.83Å; E453-K457 VanDerWaalsContact O-N 3.12Å; E453-K457 IonicContact OE1-NZ 3.34Å; E453-K457 PolarHBondContact OE1-NZ 2.77Å; E453-V462 HydrophobicContact CB-CG1 4.11Å; E453-V462 VanDerWaalsContact CD-CG1 3.46Å; E453-V462 HydrophobicContact CG-CG1 3.76Å; E453-V462 HydrophobicContact CG-CG2 3.99Å; E453-V462 WeakPolarHBondContact OE2-CG1 3.42Å; E453-R464 IonicContact OE2-CZ 2.73Å; E453-R464 IonicContact OE2-NE 2.67Å; E453-R464 PolarHBondContact OE2-NE 3.06Å; E453-R464 VanDerWaalsContact OE2-NE 3.1Å; E453-R464 IonicContact OE2-NH2 3.57Å; E453-R464 PolarHBondContact OE2-NH2 2.91Å
454M95.7Very high93.6Very high0 Ų068.5 Ų68.50%033%0.334CS..Hα-helixtrans-57.5-43.3173.8171.9-159.266.700111.7L339 L348 H450 W451 D452 K457L339-M454 HydrophobicContact CB-CB 4.01Å; L339-M454 HydrophobicContact CB-CG 3.89Å; L339-M454 HydrophobicContact CB-SD 3.65Å; L339-M454 HydrophobicContact CD1-SD 4.3Å; L339-M454 HydrophobicContact CG-SD 4.46Å; L348-M454 HydrophobicContact CD1-CE 4.03Å; L348-M454 HydrophobicContact CD1-SD 3.35Å; L348-M454 WeakPolarHBondContact CD1-SD 3.34Å; H450-M454 WeakPolarHBondContact O-CB 3.3Å; H450-M454 PolarHBondContact O-N 2.92Å; H450-M454 VanDerWaalsContact O-N 3.16Å; W451-M454 HydrophobicContact CD2-CE 3.84Å; W451-M454 HydrophobicContact CE3-CE 3.88Å; W451-M454 HydrophobicContact CG-CE 4.41Å; W451-M454 HydrophobicContact CH2-CE 4.31Å; W451-M454 HydrophobicContact CZ2-CE 4.26Å; W451-M454 HydrophobicContact CZ3-CE 4.13Å; W451-M454 WeakPolarHBondContact O-CB 3.48Å; W451-M454 PolarHBondContact O-N 3.38Å; D452-M454 PolarHBondContact O-N 2.85Å; M454-K457 CarbonylContact O-C 3.55Å; M454-K457 PolarHBondContact O-N 3.24Å
455L93.4Very high93.7Very high62 Ų6262.5 Ų62.533%0.32531%0.312SS..Hα-helixtrans-70.7-35.5179.2-65.4175.9000112.2Y341 L411 W451 D452 E453 K457Y341-L455 HydrophobicContact CD1-CD2 4.41Å; L411-L455 HydrophobicContact CD1-CD2 3.62Å; W451-L455 WeakPolarHBondContact O-CG 3.45Å; W451-L455 PolarHBondContact O-N 3.04Å; W451-L455 VanDerWaalsContact O-N 3.1Å; D452-L455 PolarHBondContact O-N 2.83Å; E453-L455 VanDerWaalsContact C-N 3.32Å; E453-L455 PolarHBondContact O-N 2.87Å; L455-K457 VanDerWaalsContact C-N 3.27Å; L455-K457 PolarHBondContact O-N 3.29Å
456S94.1Very high93.7Very high83 Ų8360.4 Ų60.458%0.5829%0.29SS*.Hα-helixtrans-70.8-20.317771.60000114.3D452 E453 P458D452-S456 PolarHBondContact O-N 3.44Å; D452-S456 PolarHBondContact O-OG 2.88Å; E453-S456 WeakPolarHBondContact CA-OG 3.29Å; E453-S456 PolarHBondContact O-N 2.86Å; E453-S456 PolarHBondContact O-OG 2.91Å; S456-P458 VanDerWaalsContact C-CD 3.48Å; S456-P458 WeakPolarHBondContact O-CD 3.46Å
457K91.9Very high93.8Very high78 Ų7855.9 Ų55.934%0.33928%0.276SS..SBendtrans-122.867.4-177.4-63.1175.6179.9176.30111.2E453 M454 L455 K459 E460 V462E453-K457 HydrophobicContact CG-CD 4.08Å; E453-K457 PolarHBondContact O-N 2.83Å; E453-K457 VanDerWaalsContact O-N 3.12Å; E453-K457 IonicContact OE1-NZ 3.34Å; E453-K457 PolarHBondContact OE1-NZ 2.77Å; M454-K457 CarbonylContact O-C 3.55Å; M454-K457 PolarHBondContact O-N 3.24Å; L455-K457 VanDerWaalsContact C-N 3.27Å; L455-K457 PolarHBondContact O-N 3.29Å; K457-K459 PolarHBondContact O-N 2.8Å; K457-E460 HydrophobicContact CB-CB 4.1Å; K457-E460 HydrophobicContact CB-CG 4.41Å; K457-E460 PolarHBondContact O-N 2.86Å; K457-V462 HydrophobicContact CB-CG2 4.46Å; K457-V462 HydrophobicContact CD-CG2 4.35Å
458P86.4Confident93.7Very high66 Ų6654.2 Ų54.243%0.42927%0.269SS..THydrogen-bonded Turntrans-59.5140.3-176.825.9-35.1000111.2S456 E460S456-P458 VanDerWaalsContact C-CD 3.48Å; S456-P458 WeakPolarHBondContact O-CD 3.46Å; P458-E460 PolarHBondContact O-N 2.87Å
459K85.6Confident93.4Very high125 Ų12556.5 Ų56.554%0.54329%0.286SS..THydrogen-bonded Turntrans68.2-8.5-175.7-48.2168.9-174.1170.70116.2Y341 N342 K457Y341-K459 PolarHBondContact O-N 2.81Å; N342-K459 HydrophobicContact CB-CG 4.42Å; K457-K459 PolarHBondContact O-N 2.8Å
460E91.4Very high92.6Very high116 Ų11661 Ų6154%0.54230%0.299SS..SBendtrans-84154171.1-64.1-170.8179.600111.6S340 K457 P458S340-E460 WeakPolarHBondContact CA-O 3.25Å; S340-E460 WeakPolarHBondContact CB-O 3.37Å; S340-E460 PolarHBondContact OG-O 2.75Å; K457-E460 HydrophobicContact CB-CB 4.1Å; K457-E460 HydrophobicContact CB-CG 4.41Å; K457-E460 PolarHBondContact O-N 2.86Å; P458-E460 PolarHBondContact O-N 2.87Å
461L93.2Very high91.1Very high97 Ų9763.3 Ų63.351%0.50831%0.313SS..  trans-98.594.8176.5-81.4164.6000110.5C338 V351 K463C338-L461 HydrophobicContact CB-CB 4.2Å; C338-L461 HydrophobicContact CB-CD2 3.79Å; V351-L461 HydrophobicContact CG2-CD2 3.69Å; L461-K463 PolarHBondContact O-N 3.28Å
462V95.1Very high88.6Confident9 Ų968.8 Ų68.86%0.05535%0.347CS..EExtended strand (participates in β ladder)trans-74116.6177-1760000109.5C338 L339 H450 E453 K457 R464C338-V462 CarbonylContact C-O 3.45Å; C338-V462 WeakPolarHBondContact CA-O 3.27Å; L339-V462 PolarHBondContact N-O 2.95Å; L339-V462 PolarHBondContact O-N 3.05Å; H450-V462 WeakPolarHBondContact NE2-CB 3.42Å; H450-V462 PolarHBondContact NE2-O 3.19Å; E453-V462 HydrophobicContact CB-CG1 4.11Å; E453-V462 VanDerWaalsContact CD-CG1 3.46Å; E453-V462 HydrophobicContact CG-CG1 3.76Å; E453-V462 HydrophobicContact CG-CG2 3.99Å; E453-V462 WeakPolarHBondContact OE2-CG1 3.42Å; K457-V462 HydrophobicContact CB-CG2 4.46Å; K457-V462 HydrophobicContact CD-CG2 4.35Å; V462-R464 HydrophobicContact CG1-CG 4.45Å
463K94.1Very high85.7Confident102 Ų10273.5 Ų73.544%0.44337%0.367SS..EExtended strand (participates in β ladder)trans-102.2117.9-176.6-176.9171.769.5177.90111.3E322 Q336 L353 L461E322-K463 IonicContact OE1-NZ 3.71Å; E322-K463 PolarHBondContact OE1-NZ 3.05Å; Q336-K463 HydrophobicContact CG-CG 4.32Å; L353-K463 HydrophobicContact CD1-CD 3.52Å; L353-K463 HydrophobicContact CD1-CG 3.86Å; L461-K463 PolarHBondContact O-N 3.28Å
464R94.1Very high82.7Confident67 Ų6780.9 Ų80.925%0.25342%0.418SS..EExtended strand (participates in β ladder)trans-131156175.9-65.1-81-167.5122.3-4.5111.4Q336 F337 E449 H450 E453 V462 H466Q336-R464 WeakPolarHBondContact CA-O 3.46Å; Q336-R464 WeakPolarHBondContact CG-O 3.44Å; F337-R464 PolarHBondContact N-O 2.96Å; F337-R464 PolarHBondContact O-N 2.96Å; E449-R464 IonicContact OE2-CZ 3.71Å; E449-R464 IonicContact OE2-NH1 3.8Å; E449-R464 PolarHBondContact OE2-NH1 2.94Å; E449-R464 IonicContact OE2-NH2 3.61Å; H450-R464 HydrophobicContact CB-CB 4.45Å; H450-R464 HydrophobicContact CB-CG 3.96Å; H450-R464 VanDerWaalsContact CD2-CG 3.44Å; H450-R464 WeakPolarHBondContact CD2-CG 3.36Å; E453-R464 IonicContact OE2-CZ 2.73Å; E453-R464 IonicContact OE2-NE 2.67Å; E453-R464 PolarHBondContact OE2-NE 3.06Å; E453-R464 VanDerWaalsContact OE2-NE 3.1Å; E453-R464 IonicContact OE2-NH2 3.57Å; E453-R464 PolarHBondContact OE2-NH2 2.91Å; V462-R464 HydrophobicContact CG1-CG 4.45Å; R464-H466 WeakPolarHBondContact CB-NE2 3.38Å
465W94.1Very high82Confident68 Ų6884.9 Ų84.926%0.25844%0.439SS..EExtended strand (participates in β ladder)trans-97.6140.6164.2-78.3102.4000108.9D334 Q336 R354 K356D334-W465 HydrophobicContact CB-CE3 3.73Å; D334-W465 HydrophobicContact CB-CZ3 4.14Å; Q336-W465 HydrophobicContact CB-CD2 3.64Å; Q336-W465 HydrophobicContact CB-CE3 3.58Å; Q336-W465 HydrophobicContact CB-CG 4.32Å; Q336-W465 HydrophobicContact CB-CH2 3.93Å; Q336-W465 HydrophobicContact CB-CZ2 3.99Å; Q336-W465 HydrophobicContact CB-CZ3 3.71Å; Q336-W465 VanDerWaalsContact CD-CE2 3.44Å; Q336-W465 HydrophobicContact CG-CD2 3.74Å; Q336-W465 HydrophobicContact CG-CE3 4.22Å; Q336-W465 HydrophobicContact CG-CG 3.98Å; Q336-W465 HydrophobicContact CG-CZ2 4.26Å; R354-W465 HydrophobicContact CG-CH2 3.88Å; R354-W465 HydrophobicContact CG-CZ2 4.39Å; K356-W465 HydrophobicContact CB-CH2 4.05Å; K356-W465 HydrophobicContact CB-CZ3 4.18Å; K356-W465 HydrophobicContact CD-CH2 3.97Å; K356-W465 HydrophobicContact CD-CZ2 4.4Å; K356-W465 HydrophobicContact CD-CZ3 4.07Å; K356-W465 HydrophobicContact CG-CE3 4.39Å; K356-W465 HydrophobicContact CG-CH2 3.82Å; K356-W465 HydrophobicContact CG-CZ3 3.64Å
466H95.1Very high81.4Confident0 Ų086.1 Ų86.10%045%0.445CS..EExtended strand (participates in β ladder)trans-130.8141.5175.4-65-85.3000111.2D334 L335 F337 V435 R446 E447 H450 R464D334-H466 CarbonylContact C-O 3.57Å; D334-H466 VanDerWaalsContact CA-O 3.27Å; D334-H466 WeakPolarHBondContact CA-O 3.14Å; L335-H466 PolarHBondContact N-O 3.48Å; L335-H466 PolarHBondContact O-N 2.85Å; F337-H466 HydrophobicContact CE1-CB 4.27Å; F337-H466 AromaticContact CE1-CD2 3.28Å; F337-H466 WeakPolarHBondContact CE1-CD2 3.21Å; F337-H466 AromaticContact CZ-CD2 3.42Å; F337-H466 VanDerWaalsContact CZ-CD2 3.42Å; F337-H466 WeakPolarHBondContact CZ-CD2 3.37Å; F337-H466 AromaticContact CZ-NE2 3.77Å; V435-H466 HydrophobicContact CB-CB 4.32Å; V435-H466 HydrophobicContact CG2-CB 3.71Å; R446-H466 PolarHBondContact O-CE1 3.27Å; E447-H466 IonicContact OE1-ND1 2.69Å; H450-H466 AromaticContact CG-NE2 3.6Å; H450-H466 AromaticContact ND1-CD2 3.83Å; H450-H466 AromaticContact ND1-CE1 3.76Å; H450-H466 AromaticContact ND1-NE2 2.87Å; H450-H466 PolarHBondContact ND1-NE2 2.88Å; R464-H466 WeakPolarHBondContact CB-NE2 3.38Å
467A93.8Very high80.7Confident17 Ų1786.3 Ų86.314%0.1444%0.438CS..EExtended strand (participates in β ladder)trans-72135.5175.100000109.6S330 D334 C469S330-A467 VanDerWaalsContact OG-CB 3.27Å; S330-A467 WeakPolarHBondContact OG-CB 3.46Å; D334-A467 WeakPolarHBondContact OD1-CA 3.5Å; A467-C469 PolarHBondContact O-N 3.42Å
468L94.2Very high80Confident5 Ų586.8 Ų86.83%0.02644%0.444CS..PPolyproline II helixtrans-78.4126.1173.4-67.3169.1000109.3F332 G333 L335 L358 V420 V435F332-L468 HydrophobicContact CB-CB 4Å; F332-L468 WeakPolarHBondContact CD2-O 3.37Å; F332-L468 WeakPolarHBondContact O-CD1 3.47Å; G333-L468 WeakPolarHBondContact O-CB 3.18Å; G333-L468 PolarHBondContact O-N 3.01Å; L335-L468 HydrophobicContact CB-CD2 4Å; L335-L468 HydrophobicContact CB-CG 4.33Å; L358-L468 HydrophobicContact CD2-CD1 3.44Å; L358-L468 VanDerWaalsContact CD2-CD1 3.44Å; V420-L468 HydrophobicContact CB-CD1 4.3Å; V420-L468 HydrophobicContact CG2-CD1 3.67Å; V420-L468 HydrophobicContact CG2-CD2 3.81Å; V420-L468 HydrophobicContact CG2-CG 4.43Å; V435-L468 HydrophobicContact CG1-CD2 4.46Å
469C88.4Confident79.6Confident74 Ų7488.1 Ų88.150%0.545%0.445SS..BIsolated β-bridgetrans-96153175.8-63.90000111.1G433 R434 A467G433-C469 WeakPolarHBondContact CA-O 3.28Å; R434-C469 PolarHBondContact N-O 3.11Å; R434-C469 PolarHBondContact O-N 3.18Å; A467-C469 PolarHBondContact O-N 3.42Å
470R80.6Confident79.2Confident186 Ų18685.6 Ų85.670%0.70244%0.438SS*.PPolyproline II helixtrans-62.9138169.2-119.4175.1175.2-171-5.2110.3F332 T472F332-R470 HydrophobicContact CD1-CG 4.45Å; F332-R470 HydrophobicContact CE1-CG 3.82Å; F332-R470 HydrophobicContact CE2-CB 4.22Å; F332-R470 HydrophobicContact CE2-CG 3.99Å; F332-R470 HydrophobicContact CZ-CB 4.3Å; F332-R470 HydrophobicContact CZ-CG 3.58Å; R470-T472 PolarHBondContact O-N 3.15Å; R470-T472 VanDerWaalsContact O-N 3.15Å
471T65.1Low78.4Confident49 Ų4983.4 Ų83.430%0.30143%0.431SS..  trans-68.6104.8160.3-3.40000108.4Q431 R434Q431-T471 PolarHBondContact NE2-OG1 3.22Å; R434-T471 VanDerWaalsContact CZ-CG2 3.43Å
472T44.6Very low77.2Confident116 Ų11682.4 Ų82.471%0.71243%0.425SS*.  trans-69.4122.7137.531.10000107R470R470-T472 PolarHBondContact O-N 3.15Å; R470-T472 VanDerWaalsContact O-N 3.15Å
473E33Very low75.8Confident178 Ų17888.5 Ų88.583%0.83246%0.455SS*.  trans-68.7140.8149.2-68.4-173.6124.300107.3
474P32.2Very low74.1Confident200 Ų20087.3 Ų87.3100%1.29946%0.457SS*.  trans-72.80171.932.7-34.7000112.1

Retrieved 474 of 474 residues in 313.9 ms (Link to these results)