X5D2T7_HUMAN Loading...

Seizure 6-like protein 2

May contribute to specialized endoplasmic reticulum functions in neurons.

AlphaFold DB , UniProt , Accession X5D2T7, Species HUMAN (Homo sapiens, Human), Gene SEZ6L2, Length 798 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low35.7Very low252 Ų252150.2 Ų150.2100%1.24186%0.856SS**  0134.90-58.9171.4-175.700107.1
2G32.4Very low36.6Very low73 Ų73147.1 Ų147.175%0.75385%0.846SS**  cis145.466.7-0.600000112.1
3T32.6Very low36.2Very low139 Ų139148.9 Ų148.985%0.85384%0.842SS**  trans-123.2129.6-178.145.80000110.5
4P45.6Very low35.6Very low132 Ų132148.1 Ų148.186%0.85783%0.834SS**  trans-86.2159.1-163.633.4-36.9000115.3
5R32.8Very low35.1Very low239 Ų239146.7 Ų146.790%0.90282%0.822SS**  trans-76.5147.8172.8-155.8177.8-165.4167.62.7110.1
6A31.9Very low34.6Very low100 Ų100149.2 Ų149.283%0.82682%0.822SS**  trans-128.6150.3168.500000110.1
7Q32Very low34.2Very low180 Ų180149.8 Ų149.884%0.84182%0.823SS**  trans-123.9152-170.1-67.4166.4-54.100111.7
8H32.5Very low34Very low184 Ų184149 Ų14985%0.85282%0.816SS**  trans-86.9179.7162.5-62.4-68.1000110.2
9P43.5Very low33.6Very low111 Ų111150.4 Ų150.472%0.72182%0.821SS**  -130.2-173.8-62.639.7-25.3000111.2
10P35.7Very low33.5Very low120 Ų120150.2 Ų150.278%0.77982%0.818SS**  trans-134.3152.8148.537.2-25.8000114.6
11P38.1Very low33.4Very low122 Ų122148.8 Ų148.879%0.79282%0.819SS**  trans-104.4-152178.745.7-37.9000111.8
12P47.1Very low33.1Very low113 Ų113141.6 Ų141.673%0.73479%0.793SS**  -127.4-157.2-114.637.6-14.8000115.1
13Q30.7Very low33.6Very low171 Ų171143 Ų14380%0.79979%0.789SS**  trans87.9151.4-174.2-51.6-165.123.400113.6
14L28.5Very low33.4Very low138 Ų138147.2 Ų147.272%0.72379%0.789SS**  cis-144.8141.925.2-166.2110.5000114.8
15L27.2Very low32.8Very low126 Ų126146.5 Ų146.566%0.6678%0.777SS**  trans43.7123.4154.7-99.766.9000124.2
16F27.6Very low32.7Very low187 Ų187144 Ų14482%0.8278%0.775SS**  57.1127.5123.9-83.4-137.9000121.6
17L28.3Very low32.5Very low160 Ų160142.9 Ų142.984%0.83877%0.774SS**  -157.7127.6116.4-103.2170.3000111.4
18I29.3Very low32.2Very low135 Ų135142 Ų14269%0.69277%0.774SS**  trans58.797.9159.5-45.2171.1000118.2
19L27.9Very low32.6Very low175 Ų175138.1 Ų138.192%0.91677%0.766SS**  trans-131.590133.5-87.1-177.7000110
20L31Very low32Very low147 Ų147138.5 Ų138.577%0.7776%0.761SS**  trans-140.4106.2164.4-94.8175000109.4
21S31.4Very low31.5Very low120 Ų120139.9 Ų139.984%0.83976%0.755SS**  trans-151.164.516442.50000110.8
22C28.6Very low31.3Very low102 Ų102140 Ų14069%0.68975%0.745SS**  trans-57.1169153.9-69.30000110.1
23P43.8Very low30.6Very low102 Ų102142.1 Ų142.166%0.66275%0.745SS**  cis-158.3-167.333.748.8-27.6000119.6
24W28.2Very low30.6Very low228 Ų228142.4 Ų142.486%0.86475%0.746SS**  trans93.3133.5151.9-79.718.6000120.8
25I32.4Very low30.6Very low117 Ų117142.5 Ų142.560%0.675%0.746SS**  cis-152.6158.4-30.6-32.4172.8000109.4
26Q30.1Very low30.9Very low185 Ų185143.4 Ų143.486%0.86475%0.751SS**  trans110.2126.5149.3-68.6175.62100116.2
27G28.3Very low31.5Very low78 Ų78140.3 Ų140.380%0.80475%0.749SS**  cis-162.4169.30.400000115.9
28L26.8Very low31.6Very low161 Ų161140.9 Ų140.984%0.84375%0.748SS**  trans-75.2172.3177.8-85.3164000112.1
29P40.9Very low32.5Very low103 Ų103140 Ų14067%0.66975%0.751SS**  cis-148.31512938.4-16.2000121.4
30L29.6Very low32.5Very low119 Ų119134.9 Ų134.962%0.62374%0.74SS**  trans62.6159.3137.9-56.9171.7000119.6E32L30-E32 VanDerWaalsContact CD2-CD 3.43Å; L30-E32 HydrophobicContact CD2-CG 4.47Å; L30-E32 WeakPolarHBondContact CD2-OE1 3.44Å; L30-E32 WeakPolarHBondContact CD2-OE2 3.16Å
31K25.8Very low32.1Very low149 Ų149133.2 Ų133.265%0.64874%0.741SS**  cis-148.7131.712.4-151.4159.8163.147.80108.8E33K31-E33 IonicContact NZ-OE2 2.68Å; K31-E33 PolarHBondContact NZ-OE2 2.79Å
32E34.2Very low32Very low124 Ų124136.5 Ų136.558%0.57974%0.743SS**  63.313968.5-80.6166.6-168.100113L30L30-E32 VanDerWaalsContact CD2-CD 3.43Å; L30-E32 HydrophobicContact CD2-CG 4.47Å; L30-E32 WeakPolarHBondContact CD2-OE1 3.44Å; L30-E32 WeakPolarHBondContact CD2-OE2 3.16Å
33E32.7Very low31.8Very low158 Ų158137.9 Ų137.974%0.73875%0.748SS**  cis-161.1160.87.1-79.4138.7113.900107.7K31K31-E33 IonicContact NZ-OE2 2.68Å; K31-E33 PolarHBondContact NZ-OE2 2.79Å
34E29.9Very low31.8Very low176 Ų176138.2 Ų138.282%0.82275%0.75SS**  cis-142-121.8-26.2-161.5-153.1128.700108.6
35I28.9Very low31.7Very low141 Ų141133.3 Ų133.372%0.72375%0.746SS**  cis-160.3167.9-6-159.8160.8000110.9
36L34.1Very low31.4Very low145 Ų145134 Ų13476%0.75976%0.755SS**  trans-139.6157.2167.9-159.488.2000111.1
37P38.7Very low31.2Very low121 Ų121129.3 Ų129.379%0.78675%0.748SS**  -154.8170.1107.839.8-21.3000117.9
38E31.6Very low31.2Very low173 Ų173130.5 Ų130.581%0.80874%0.744SS**  trans-102.4-167.6167.3-114.8-164.2-141.100110.5
39P47.5Very low31.3Very low116 Ų116131.9 Ų131.975%0.75375%0.746SS**  cis-135-172.3-142.5-25000115.5
40G27.6Very low30.6Very low68 Ų68131.5 Ų131.570%0.70175%0.752SS**  trans136.3101.9140.900000121.4
41S23.9Very low30.5Very low111 Ų111133.6 Ų133.678%0.77676%0.762SS**  trans17129.8146.359.50000123.6
42E27.8Very low30.5Very low190 Ų190130.7 Ų130.789%0.88877%0.766SS**  174.3170.7112-95.4-175-178.800113
43T25Very low30.3Very low130 Ų130132.6 Ų132.680%0.79878%0.775SS**  trans-147.5166.9-17661.70000110.7
44P44.8Very low30.1Very low109 Ų109131.7 Ų131.771%0.70878%0.775SS**  cis-128.6-171.7-13.436.4-17.8000112.7
45T25.2Very low30.2Very low125 Ų125129.5 Ų129.577%0.76777%0.768SS**  162139.5124.740.10000116.7
46V25.1Very low30.3Very low132 Ų132130.7 Ų130.780%0.877%0.77SS**  trans58.9101.3136.6-177.60000122.2
47A26.1Very low30.1Very low87 Ų87127.2 Ų127.272%0.71977%0.77SS**  69.5151.6122.900000126.1
48S29.2Very low29.8Very low103 Ų103126.2 Ų126.272%0.7277%0.771SS**  trans63.899.9150.856.60000122.2
49E28.7Very low29.6Very low190 Ų190125.9 Ų125.989%0.88877%0.774SS**  46.9140.1120.1-62-175.2121.100123.9
50A26.7Very low29Very low94 Ų94128.2 Ų128.278%0.77778%0.78SS**  trans73.3147.9154.400000117.7
51L27.2Very low29.2Very low163 Ų163135.1 Ų135.185%0.85378%0.784SS**  cis-156.9147.7-3.9-155.384000111.2
52A26.2Very low29.4Very low88 Ų88140.3 Ų140.373%0.72779%0.787SS**  trans63.3168.4152.100000118.9
53E29.6Very low29.3Very low165 Ų165134.5 Ų134.577%0.77178%0.779SS**  cis-155.5-178.1-0.9-148.3-168.3-161.500112.1
54L28.8Very low30.5Very low138 Ų138133.9 Ų133.972%0.72378%0.776SS**  trans81.9138.4165.5-45.6179.8000117.7
55L31.3Very low29.8Very low131 Ų131137 Ų13769%0.68678%0.782SS**  cis-171.3151.5-19-111.9-179.7000105.8
56H31.4Very low30Very low165 Ų165139.9 Ų139.976%0.76479%0.789SS**  cis-131-162.614.7-56.675.1000108.6
57G30.5Very low30.3Very low73 Ų73137.5 Ų137.575%0.75379%0.791SS**  cis94.8144700000114.6
58A32Very low30.4Very low99 Ų99143.7 Ų143.782%0.81880%0.797SS**  cis-170.2156.6-3.700000112.8
59L27.8Very low30.6Very low167 Ų167145.6 Ų145.687%0.87480%0.798SS**  trans-170.3137.8146.9-111.6171000112.8
60L34.1Very low31.7Very low165 Ų165142.5 Ų142.586%0.86480%0.795SS**  trans-146.9145.9178.5-88.6172.6000112.3
61R31.5Very low31.7Very low212 Ų212141.6 Ų141.680%0.880%0.795SS**  trans-155.6141.8159.3-69.8-167.9175.8-179.1-0.7107.5
62R28.4Very low31.9Very low220 Ų220139.6 Ų139.683%0.8379%0.794SS**  cis-156.6150.6-2.9-113.1174.8175.9173.6-5107.5
63G26.9Very low32.3Very low69 Ų69142.8 Ų142.871%0.71180%0.799SS**  trans-86.8-156163.400000111.8
64P48.8Very low33.1Very low116 Ų116140.7 Ų140.775%0.75380%0.8SS**  cis-127.3-1560.242.2-23000110.9
65E31.3Very low33.2Very low174 Ų174141 Ų14181%0.81380%0.802SS**  cis-162.3161.11-146.1149.3-85.100110.7
66M28.2Very low34Very low187 Ų187139.2 Ų139.292%0.92180%0.798SS**  trans-154.5150.7145.8-110.9-146.8-7100111.5
67G30.8Very low34Very low81 Ų81138.3 Ų138.384%0.83581%0.805SS**  trans-83.2-178.8-168.800000116.4
68Y29.6Very low34Very low217 Ų217142.7 Ų142.785%0.85181%0.81SS**  trans-148149.8-160.9-142.8-30.1000111.6
69L33.2Very low33.8Very low143 Ų143142.6 Ų142.675%0.74981%0.809SS**  trans81.4167.9160.4-51.7176.1000117.5
70P51.2Low33.8Very low126 Ų126141 Ų14182%0.81881%0.807SS**  -144.3-175.3-71.244-26.8000115.5
71G27.9Very low34.7Very low75 Ų75138.7 Ų138.777%0.77380%0.802SS**  trans117154.5161.400000115.1
72S31Very low35.6Very low121 Ų121134.7 Ų134.785%0.84680%0.803SS**  cis-161.9154.8-4.555.90000112
73D34.9Very low35.9Very low155 Ų155129.1 Ų129.183%0.82980%0.804SS**  trans-55.5165.4170.2-85.6-49.2000114.8
74P45.2Very low36.1Very low121 Ų121129 Ų12979%0.78680%0.803SS**  cis-147.5177.23443.7-23.2000120.9
75D30.6Very low35.2Very low145 Ų145133.1 Ų133.178%0.77581%0.812SS**  trans-54.8179162.9-135.17000114.8
76P49.3Very low35.2Very low92 Ų92130.7 Ų130.760%0.59781%0.81SS**  cis-138.1179.8-10.342.6-26.5000116
77T29.8Very low35.2Very low147 Ų147129.8 Ų129.890%0.90281%0.807SS**  trans-161.2149.8142.4-1.90000114.7
78L30.5Very low35.1Very low164 Ų164130.3 Ų130.386%0.85980%0.804SS**  trans-93.3150.4-177.2-91.863.6000113.7
79A28.6Very low35.3Very low98 Ų98126.6 Ų126.681%0.8180%0.804SS**  trans-161.4104.4144.100000114.1
80T27.9Very low35.6Very low134 Ų134125.7 Ų125.782%0.82281%0.806SS**  trans-158.7163.3161.852.30000109.3
81P52.9Low34.6Very low116 Ų116125 Ų12575%0.75380%0.804SS**  cis-113.4-137.3-24.327.1-3.4000109
82P49.8Very low34.8Very low127 Ų127129 Ų12983%0.82581%0.807SS**  -134.4177.55839.5-23.2000114.3
83A34.8Very low35.3Very low104 Ų104129.3 Ų129.386%0.8681%0.806SS**  trans-126.8158.417600000111.7
84G31.1Very low35Very low67 Ų67133.2 Ų133.269%0.69181%0.809SS**  trans130.8110.4154.200000117.2
85Q30.8Very low34.3Very low202 Ų202131.8 Ų131.894%0.94481%0.808SS**  -160.3168.4127.5-110.9166.172.700110.6
86T30.5Very low34.2Very low123 Ų123132 Ų13276%0.75581%0.814SS**  trans-143.5163-153.8-41.20000111.4
87L28.8Very low33.5Very low167 Ų167136 Ų13687%0.87483%0.825SS**  trans81.6149.1174.8-47.4168.9000113.6
88A28.3Very low34.1Very low92 Ų92135.1 Ų135.176%0.7682%0.822SS**  cis-144166.86.200000112.9
89V34Very low34.1Very low140 Ų140130.2 Ų130.285%0.84881%0.811SS**  trans-102.8141.5167.5174.80000109.5
90P39Very low34.2Very low123 Ų123132.6 Ų132.680%0.79982%0.816SS**  trans-120155.915135.8-25.9000112.5
91S31.4Very low34.2Very low111 Ų111129.2 Ų129.278%0.77681%0.807SS**  trans-109.9164.1-174.7520000113.8
92L31.6Very low33.8Very low161 Ų161129.9 Ų129.984%0.84381%0.812SS**  trans-21.9147.5165.2-88.2144.1000117.5
93P41.5Very low32.8Very low127 Ų127131.2 Ų131.283%0.82581%0.811SS**  -126.3142.1126.936.5-29.7000116
94R28.6Very low32.5Very low237 Ų237132.5 Ų132.589%0.89481%0.808SS**  trans-52.3124176.7-180-175.8-161.4155.33.6117.8
95A30.7Very low32.3Very low91 Ų91135.1 Ų135.175%0.75281%0.811SS**  trans38.8135135.200000123.4
96T28.3Very low32.2Very low149 Ų149130.4 Ų130.491%0.91481%0.807SS**  trans-143.4141.5146.6-10.10000111
97E34.2Very low32.1Very low177 Ų177130.7 Ų130.783%0.82781%0.808SS**  trans-105.9161.5167.4-138.6-174.8-127.200108.1
98P42.6Very low32.3Very low127 Ų127129 Ų12983%0.82581%0.805SS**  -147.216976.139.7-22000115.3
99G31.2Very low32.9Very low62 Ų62129.5 Ų129.564%0.63980%0.8SS**  trans-121.8172.1169.800000113.8
100T30.1Very low32.6Very low147 Ų147130.7 Ų130.790%0.90280%0.802SS**  trans-153.9139.1167.3-38.70000110.8
101G29Very low32.1Very low63 Ų63128.4 Ų128.465%0.64980%0.801SS**  trans-83-164.7168.500000112.8
102P44.3Very low31.9Very low131 Ų131129.5 Ų129.585%0.85180%0.803SS**  -141.5-179.762.238.9-21.6000116.2
103L28.3Very low31.8Very low155 Ų155133.1 Ų133.181%0.81281%0.805SS**  trans-92.9160.1176.6-55.481.1000112.2
104T27.5Very low31.1Very low130 Ų130130.9 Ų130.980%0.79881%0.806SS**  -166.1104.5127.518.90000111.1
105T27.6Very low31.1Very low123 Ų123124.7 Ų124.776%0.75581%0.805SS**  73.9122.5104.357.50000117.6
106A29.2Very low30.9Very low102 Ų102123.8 Ų123.884%0.84381%0.805SS**  trans-85.8156.9170.700000112.9
107V27.6Very low32Very low129 Ų129122.5 Ų122.578%0.78280%0.799SS**  trans-141.5134.4173178.90000110.5
108T32.4Very low31.7Very low133 Ų133121 Ų12182%0.81680%0.802SS**  trans-123.8151.6154.858.60000107.6
109P41.4Very low31.2Very low101 Ų101119.2 Ų119.266%0.65680%0.798SS**  -154.9163.199.239.2-21000117.1
110N28.1Very low31.8Very low165 Ų165121.2 Ų121.288%0.88280%0.799SS**  trans38.8123.5144.3-56.7-19.8000121.7
111G28.2Very low31.7Very low76 Ų76122.3 Ų122.378%0.78480%0.795SS**  trans-107.3-170.9166.600000114.6
112V28.3Very low31.8Very low134 Ų134126.9 Ų126.981%0.81280%0.803SS**  trans-154.4129.3174.1129.90000114.2
113R28.7Very low31.1Very low236 Ų236128.5 Ų128.589%0.89180%0.804SS**  trans37.7131.2150.5-55.3179-178.7-169.9-0.4123.9
114G27.1Very low31.5Very low81 Ų81127 Ų12784%0.83580%0.802SS**  trans107.3138.4138.700000115.8
115A29.2Very low32.1Very low106 Ų106126.5 Ų126.588%0.87680%0.8SS**  cis-154.5165.7-800000109.9
116G26.5Very low33Very low73 Ų73126.1 Ų126.175%0.75380%0.8SS**  trans-105.5-151.9166.100000111
117P50.3Low33.7Very low122 Ų122127 Ų12779%0.79280%0.797SS**  cis-133.6169.1-20.241.1-27.3000113.3
118T27.5Very low33.9Very low144 Ų144124.2 Ų124.288%0.88379%0.794SS**  trans-165.7134.1153.719.40000114.2
119A32.7Very low33.8Very low90 Ų90125 Ų12574%0.74480%0.799SS**  trans-109.6167.2133.400000105.9
120P43Very low33.3Very low104 Ų104126.8 Ų126.868%0.67581%0.808SS**  cis-117.6-154.540.135.6-15.7000110.7
121E28.8Very low33.4Very low171 Ų171123.6 Ų123.680%0.79981%0.805SS**  cis-156.2179.110.3-156.2135.78300111.8
122L30.1Very low33.9Very low159 Ų159125.5 Ų125.583%0.83280%0.803SS**  trans-130.6128.7176.3-165.479.7000110.7
123L31.3Very low34.6Very low165 Ų165124.8 Ų124.886%0.86480%0.802SS**  trans-105.9138.2179.6-77168.6000112.5
124T35.3Very low35.3Very low124 Ų124119.3 Ų119.376%0.76180%0.797SS**  trans-123.6148.916256.20000107.4
125P40Very low35.8Very low119 Ų119121.4 Ų121.477%0.77380%0.795SS**  -153.6-153.794.837.5-13.4000112.4
126P47.1Very low36.2Very low115 Ų115121.9 Ų121.975%0.74779%0.792SS**  -126.1-144.7-7744.7-27.1000112.3
127P45.1Very low36.9Very low121 Ų121124.7 Ų124.779%0.78680%0.797SS**  -135.2161.1-114.240.1-19000119.2
128G29.9Very low36Very low69 Ų69123.6 Ų123.671%0.71180%0.798SS**  101.5126129.700000120.9
129T30.7Very low36.3Very low151 Ų151122.4 Ų122.493%0.92680%0.796SS**  trans-165.5168.3138.714.30000108.4
130T32.4Very low36.6Very low137 Ų137124.4 Ų124.484%0.8480%0.802SS**  trans-133.3143.7-163.142.60000115.9
131A29.9Very low36.1Very low99 Ų99122.8 Ų122.882%0.81880%0.803SS**  trans69.2162.1166.800000116.7
132P37.8Very low36.8Very low116 Ų116120.6 Ų120.675%0.75380%0.804SS**  cis-119.9177.2-1.141.4-28.1000114.4
133P43.5Very low37.3Very low119 Ų119119.1 Ų119.177%0.77380%0.804SS**PPolyproline II helixtrans-76.9160.7173.631.7-36.7000114.1
134P43.8Very low37.3Very low121 Ų121119.8 Ų119.879%0.78681%0.807SS**PPolyproline II helixtrans-79.5160.2-176.733-37000114.2
135P37.5Very low37.1Very low124 Ų124117.2 Ų117.281%0.80581%0.806SS**PPolyproline II helixtrans-85.6152.2-17834.9-36000114.2
136S36.8Very low37.4Very low116 Ų116118 Ų11881%0.81181%0.81SS**PPolyproline II helixtrans-74.8144.1171.1-46.50000112.1
137P41.5Very low36.8Very low132 Ų132121.9 Ų121.986%0.85782%0.819SS**PPolyproline II helixtrans-70.8143.6171.230.3-34.2000111.3
138A31.4Very low36.1Very low99 Ų99120.2 Ų120.282%0.81882%0.823SS**  trans-105.1140.6-177.400000112.4
139S32.8Very low36.2Very low120 Ų120120.8 Ų120.884%0.83983%0.829SS**PPolyproline II helixtrans-77137.6174-53.10000111.8
140P39.7Very low36.3Very low132 Ų132123.4 Ų123.486%0.85783%0.831SS**PPolyproline II helixtrans-77.1134.5171.631.2-33.1000111.4
141G32.8Very low36.4Very low69 Ų69125.9 Ų125.971%0.71183%0.833SS**PPolyproline II helixtrans-97.4155.7173.500000113.2
142P43.5Very low36.3Very low126 Ų126130.3 Ų130.382%0.81884%0.837SS**PPolyproline II helixtrans-81.8160.9177.834.5-36000113.1
143P39.9Very low35.8Very low128 Ų128130.2 Ų130.283%0.83183%0.834SS**PPolyproline II helixtrans-84.1153.9-179.633.6-35.5000114.7
144L32.5Very low35Very low178 Ų178131.2 Ų131.293%0.93284%0.838SS**PPolyproline II helixtrans-74.5159.7166.6-58.1158.6000109.9
145G31.6Very low34.2Very low70 Ų70130.8 Ų130.872%0.72283%0.834SS**  cis-170.2-146.94.300000107.7
146P45.3Very low33.9Very low135 Ų135130.5 Ų130.588%0.87783%0.83SS**  cis-126.8-156.36.843.9-27.1000113.5
147E34.4Very low33.6Very low198 Ų198131.8 Ų131.893%0.92583%0.826SS**  trans-74.1155.7-166.6-62160.289.200117
148G31.1Very low33.5Very low85 Ų85132.4 Ų132.488%0.87682%0.821SS**  trans176100.6164.700000109.9
149G32.4Very low33.5Very low81 Ų81133.4 Ų133.484%0.83582%0.817SS**  trans-122.1135.8-176.300000112.4
150E31.9Very low33.8Very low207 Ų207134.1 Ų134.197%0.96782%0.816SS**  trans-147151.6166.7-115.7167.2-178.300109
151E33.8Very low33.5Very low189 Ų189134.1 Ų134.188%0.88381%0.814SS**  trans-114.9125.9-167.7173-175.4-159.600109.4
152E28.8Very low33.3Very low191 Ų191136.6 Ų136.689%0.89382%0.815SS**  trans-148.7149.9167-142.1173.2-156.400114.4
153T26.1Very low32.7Very low114 Ų114137 Ų13770%0.69982%0.815SS**  trans-90.6130.8-16252.70000114.3T155T153-T155 PolarHBondContact O-N 2.7Å
154T27.5Very low32.2Very low140 Ų140136.5 Ų136.586%0.85981%0.81SS**  trans-68.9109.7171.7-460000111.8
155T28Very low32.2Very low113 Ų113134.1 Ų134.169%0.69380%0.803SS**  trans-109.1112.5170-60.50000110.6T153T153-T155 PolarHBondContact O-N 2.7Å
156T30.1Very low32.2Very low118 Ų118136.5 Ų136.572%0.72480%0.804SS**  trans-80.9126179.9-43.90000111.4I158T156-I158 HydrophobicContact CG2-CG1 4.5Å
157I31.7Very low31.8Very low143 Ų143137.2 Ų137.273%0.73381%0.805SS**  trans-123.1124.3167.5-60.6-178.9000109
158I39.2Very low31.7Very low145 Ų145133.8 Ų133.874%0.74480%0.798SS**  trans-97.5125.1178.4-58.6170.5000108.8T156T156-I158 HydrophobicContact CG2-CG1 4.5Å
159T29.6Very low31.8Very low120 Ų120135.1 Ų135.174%0.73679%0.794SS**  trans-133.9111163.749.20000110.6
160T39.9Very low32.7Very low135 Ų135137.4 Ų137.483%0.82879%0.794SS**  trans-75.2134172.149.80000111.1
161T32.7Very low32.7Very low132 Ų132131 Ų13181%0.8178%0.783SS**  trans-128.4139.4169.9-48.70000110.4
162T30.2Very low33Very low120 Ų120129 Ų12974%0.73678%0.779SS**  trans-75.9142.8-16948.40000114.1T164T162-T164 PolarHBondContact O-N 2.71Å
163V30Very low33.4Very low135 Ų135126.5 Ų126.582%0.81878%0.777SS**  trans-72.6116.8169.3179.30000110.4T165V163-T165 HydrophobicContact CG1-CG2 4.41Å
164T30.3Very low34.4Very low117 Ų117129.2 Ų129.272%0.71878%0.775SS**  trans-106.7115.2163470000109.9T162 T166T162-T164 PolarHBondContact O-N 2.71Å; T164-T166 PolarHBondContact O-N 2.76Å
165T31.2Very low35.6Very low129 Ų129129.4 Ų129.479%0.79177%0.77SS**  trans-76120.6177.750.30000111.8V163V163-T165 HydrophobicContact CG1-CG2 4.41Å
166T31.4Very low37.5Very low120 Ų120129.1 Ų129.174%0.73676%0.764SS**  trans-119.4120.5165.250.10000109.6T164 T168T164-T166 PolarHBondContact O-N 2.76Å; T166-T168 PolarHBondContact O-N 2.74Å
167V37Very low39.9Very low149 Ų149124.6 Ų124.690%0.90374%0.737SS**  trans-82.8106.9-179.9177.50000110
168T32.3Very low42.4Very low127 Ų127117.9 Ų117.978%0.77970%0.703SS**  trans-146.6118.5165.348.50000110.5T166T166-T168 PolarHBondContact O-N 2.74Å
169S34.6Very low44.5Very low113 Ų113113.7 Ų113.779%0.7970%0.696SS**  trans-101.9169.8147.765.90000108
170P50.4Low47.2Very low128 Ų128113.9 Ų113.983%0.83169%0.687SS**  cis-115.3173.8-440.7-29.2000113
171G33Very low49.5Very low72 Ų72107.6 Ų107.674%0.74265%0.648SS**  trans16191.5171.600000112.2
172D38.3Very low51.9Low147 Ų147105.4 Ų105.479%0.78664%0.636SS**  trans-64.4142.4179.2-55-71.5000112.1Y174D172-Y174 PolarHBondContact O-N 2.75Å
173T38.6Very low54.5Low140 Ų140108 Ų10886%0.85963%0.632SS**  trans-67.4110.9167.647.70000109L175T173-L175 PolarHBondContact O-N 3.01Å
174Y47.3Very low57.2Low170 Ų170102.4 Ų102.467%0.66760%0.599SS**  trans-61.5104.1-178.7-80.7-97.4000111.8D172 L176D172-Y174 PolarHBondContact O-N 2.75Å; Y174-L176 PolarHBondContact O-N 2.7Å
175L52Low59.6Low144 Ų144100.2 Ų100.275%0.75459%0.593SS**  trans-72.4110166.1-16083.3000108.3T173 S177T173-L175 PolarHBondContact O-N 3.01Å; L175-S177 PolarHBondContact O-N 3.24Å
176L67.4Low62.1Low108 Ų10897.2 Ų97.257%0.56557%0.569SS**  trans-85.951.4-177.9-76.7139.9000111.6Y174Y174-L176 PolarHBondContact O-N 2.7Å
177S79.9Confident64.8Low22 Ų2292.2 Ų92.215%0.15454%0.541CS..SBendtrans-136152.4-177.2-48.40000109.7L175 L194L175-S177 PolarHBondContact O-N 3.24Å; S177-L194 CarbonylContact C-O 3.59Å; S177-L194 VanDerWaalsContact CA-O 3.32Å; S177-L194 WeakPolarHBondContact CA-O 3.32Å; S177-L194 WeakPolarHBondContact CB-O 3.34Å
178C84.7Confident67.2Low2 Ų288.9 Ų88.91%0.01452%0.519CS..PPolyproline II helixtrans-65.2145.5167.8-70.80000110.2L194 C218 P224 S225 W226C178-L194 PolarHBondContact N-O 2.85Å; C178-C218 HydrophobicContact CB-CB 3.92Å; C178-C218 WeakPolarHBondContact CB-SG 3.43Å; C178-C218 WeakPolarHBondContact SG-CA 3.43Å; C178-C218 WeakPolarHBondContact SG-CB 3.3Å; C178-C218 CovalentContact SG-SG 2.03Å; C178-C218 PolarHBondContact SG-SG 3.3Å; C178-P224 VanDerWaalsContact SG-C 3.59Å; C178-S225 PolarHBondContact SG-N 2.86Å; C178-S225 VanDerWaalsContact SG-N 3.42Å; C178-W226 HydrophobicContact CB-CD2 4.37Å; C178-W226 HydrophobicContact CB-CH2 4.49Å; C178-W226 HydrophobicContact CB-CZ2 3.8Å
179G84.5Confident70Confident57 Ų5783.2 Ų83.259%0.58848%0.484SS*.PPolyproline II helixtrans-64.3143.3168.400000110.5W226G179-W226 PolarHBondContact O-NE1 3.2Å
180F85.9Confident72.6Confident125 Ų12580.4 Ų80.455%0.54846%0.464SS..PPolyproline II helixtrans-57.8126175.3-167.4-82.8000109.3V189 V191 L194F180-V189 HydrophobicContact CE1-CG1 3.82Å; F180-V189 HydrophobicContact CZ-CG1 4.07Å; F180-V191 HydrophobicContact CD2-CG2 4.27Å; F180-V191 HydrophobicContact CE2-CB 4.08Å; F180-V191 HydrophobicContact CE2-CG2 3.63Å; F180-V191 HydrophobicContact CZ-CG2 3.81Å; F180-L194 HydrophobicContact CB-CD2 4.46Å; F180-L194 HydrophobicContact CD2-CD1 4.45Å; F180-L194 HydrophobicContact CD2-CD2 4.27Å
181P86.8Confident74.5Confident3 Ų376.3 Ų76.32%0.01944%0.437CS..PPolyproline II helixtrans-66.4142.8-174.626.7-33.6000110.8R183 V189 V191 A200 F202 W226 T230P181-R183 PolarHBondContact O-N 3.5Å; P181-V189 HydrophobicContact CG-CG1 4.08Å; P181-V189 HydrophobicContact CG-CG2 3.91Å; P181-V191 HydrophobicContact CG-CG2 4.04Å; P181-A200 HydrophobicContact CG-CB 3.89Å; P181-F202 HydrophobicContact CB-CE1 4.31Å; P181-F202 HydrophobicContact CB-CZ 3.87Å; P181-F202 HydrophobicContact CG-CZ 4.16Å; P181-W226 HydrophobicContact CG-CZ2 4.34Å; P181-T230 HydrophobicContact CB-CG2 4.17Å
182P84.8Confident77.1Confident86 Ų8677.8 Ų77.856%0.55843%0.431SS*.PPolyproline II helixtrans-61.2140.5172.326.8-33.8000109.9T230P182-T230 HydrophobicContact CG-CG2 3.98Å
183R83.4Confident79.2Confident175 Ų17574.3 Ų74.366%0.6641%0.413SS*.PPolyproline II helixtrans-68.4137.1171.6-74.1-176.8-72.1-172.5-1.9109.5P181 D188 V189P181-R183 PolarHBondContact O-N 3.5Å; R183-D188 WeakPolarHBondContact CD-OD1 3.29Å; R183-D188 IonicContact NH1-OD1 3.54Å; R183-V189 HydrophobicContact CG-CG1 3.85Å
184P86.9Confident81.4Confident17 Ų1770.1 Ų70.111%0.1139%0.385CS..PPolyproline II helixtrans-65.3157.1174.629.4-33.8000110.2F202P184-F202 HydrophobicContact CG-CD1 4.41Å
185A80.3Confident83.4Confident71 Ų7166.7 Ų66.759%0.58738%0.375SS*.THydrogen-bonded Turntrans-65.8136.5164.200000108.6C233A185-C233 WeakPolarHBondContact O-CB 3.41Å
186H84.7Confident85Confident65 Ų6562.2 Ų62.230%0.30136%0.355SS..THydrogen-bonded Turntrans57.643.9-178.4-42.1-60.9000113.9D205 Y208 C233 E253H186-D205 VanDerWaalsContact CA-OD2 3.25Å; H186-D205 WeakPolarHBondContact CA-OD2 3.31Å; H186-D205 PolarHBondContact O-N 2.91Å; H186-Y208 HydrophobicContact CB-CD1 3.74Å; H186-Y208 HydrophobicContact CB-CD2 3.79Å; H186-Y208 HydrophobicContact CB-CE1 3.66Å; H186-Y208 HydrophobicContact CB-CE2 3.71Å; H186-Y208 HydrophobicContact CB-CG 3.82Å; H186-Y208 AromaticContact CD2-CE1 3.29Å; H186-Y208 WeakPolarHBondContact CD2-CE1 3.14Å; H186-Y208 AromaticContact CD2-CZ 3.6Å; H186-Y208 AromaticContact CG-CE1 3.51Å; H186-Y208 AromaticContact CG-CE2 3.95Å; H186-Y208 AromaticContact CG-CZ 3.42Å; H186-Y208 VanDerWaalsContact CG-CZ 3.42Å; H186-Y208 AromaticContact ND1-CZ 3.9Å; H186-C233 WeakPolarHBondContact O-CB 3.08Å; H186-E253 IonicContact CD2-OE1 2.75Å; H186-E253 IonicContact CE1-OE1 3.01Å; H186-E253 IonicContact NE2-OE1 3.47Å; H186-E253 PolarHBondContact NE2-OE1 2.81Å
187G87.3Confident85.9Confident15 Ų1559.8 Ų59.816%0.15536%0.356CS..EExtended strand (participates in β ladder)trans-175.7-176.9174.200000113.7H203 D205G187-H203 CarbonylContact C-O 3.46Å; G187-H203 WeakPolarHBondContact CA-O 3.36Å; G187-D205 PolarHBondContact N-OD2 3.47Å
188D87.1Confident86.3Confident80 Ų8059 Ų5943%0.42835%0.351SS..EExtended strand (participates in β ladder)trans-137.4170.7-178.1-162.319.5000111.9R183 H203R183-D188 WeakPolarHBondContact CD-OD1 3.29Å; R183-D188 IonicContact NH1-OD1 3.54Å; D188-H203 PolarHBondContact N-O 2.98Å; D188-H203 PolarHBondContact O-N 3.12Å
189V91.1Very high86.7Confident8 Ų860.7 Ų60.75%0.04836%0.361CS..EExtended strand (participates in β ladder)trans-133121178.868.70000112.2F180 P181 R183 V191 A200 T201 F202F180-V189 HydrophobicContact CE1-CG1 3.82Å; F180-V189 HydrophobicContact CZ-CG1 4.07Å; P181-V189 HydrophobicContact CG-CG1 4.08Å; P181-V189 HydrophobicContact CG-CG2 3.91Å; R183-V189 HydrophobicContact CG-CG1 3.85Å; V189-V191 HydrophobicContact CG1-CG2 4.41Å; V189-V191 HydrophobicContact CG2-CG2 4.13Å; V189-A200 HydrophobicContact CG2-CB 3.95Å; V189-T201 WeakPolarHBondContact CA-O 3.47Å; V189-F202 HydrophobicContact CB-CD1 3.86Å; V189-F202 HydrophobicContact CB-CE1 3.84Å; V189-F202 HydrophobicContact CB-CZ 4.44Å; V189-F202 HydrophobicContact CG2-CD1 3.67Å; V189-F202 HydrophobicContact CG2-CD2 4.14Å; V189-F202 HydrophobicContact CG2-CE1 3.46Å; V189-F202 VanDerWaalsContact CG2-CE1 3.46Å; V189-F202 HydrophobicContact CG2-CE2 3.92Å; V189-F202 HydrophobicContact CG2-CG 4.01Å; V189-F202 HydrophobicContact CG2-CZ 3.58Å
190S90.6Very high87Confident54 Ų5458 Ų5838%0.37833%0.333SS..EExtended strand (participates in β ladder)trans-92.9123.1172.661.90000109.9A200 T201 H203S190-A200 CarbonylContact O-C 3.56Å; S190-A200 WeakPolarHBondContact O-CA 3.45Å; S190-T201 PolarHBondContact N-O 2.96Å; S190-T201 PolarHBondContact O-N 3.39Å; S190-T201 PolarHBondContact OG-O 2.84Å; S190-H203 PolarHBondContact OG-NE2 2.87Å
191V89.3Confident87.4Confident42 Ų4253.3 Ų53.326%0.25532%0.315SS..EExtended strand (participates in β ladder)trans-116.5126.8-175.4-174.90000109.9F180 P181 V189 L194 T199 A200 W226F180-V191 HydrophobicContact CD2-CG2 4.27Å; F180-V191 HydrophobicContact CE2-CB 4.08Å; F180-V191 HydrophobicContact CE2-CG2 3.63Å; F180-V191 HydrophobicContact CZ-CG2 3.81Å; P181-V191 HydrophobicContact CG-CG2 4.04Å; V189-V191 HydrophobicContact CG1-CG2 4.41Å; V189-V191 HydrophobicContact CG2-CG2 4.13Å; V191-L194 HydrophobicContact CG1-CD2 3.81Å; V191-L194 HydrophobicContact CG1-CG 4.36Å; V191-T199 WeakPolarHBondContact CA-O 3.41Å; V191-A200 HydrophobicContact CG2-CB 3.98Å; V191-W226 HydrophobicContact CG1-CH2 4.35Å
192T88.4Confident87.7Confident102 Ų10253.3 Ų53.363%0.62632%0.315SS*.SBendtrans-84.9-44.1-178.458.10000112.3T199T192-T199 WeakPolarHBondContact CG2-OG1 3.3Å; T192-T199 PolarHBondContact N-O 2.89Å; T192-T199 PolarHBondContact OG1-N 3.38Å; T192-T199 PolarHBondContact OG1-O 2.71Å; T192-T199 VanDerWaalsContact OG1-O 3.12Å; T192-T199 PolarHBondContact OG1-OG1 2.64Å
193D81.5Confident88.1Confident74 Ų7453.4 Ų53.440%0.39631%0.307SS..  trans-156154.5172.5-163.8-9.5000109.4H195 G198D193-H195 IonicContact OD1-CE1 3.05Å; D193-H195 IonicContact OD1-CG 2.74Å; D193-H195 PolarHBondContact OD1-N 2.76Å; D193-H195 IonicContact OD1-ND1 2.68Å; D193-H195 PolarHBondContact OD1-ND1 3.13Å; D193-H195 IonicContact OD2-CG 3.18Å; D193-H195 IonicContact OD2-ND1 2.63Å; D193-H195 PolarHBondContact OD2-ND1 2.96Å; D193-G198 WeakPolarHBondContact O-CA 3.44Å
194L86.4Confident88.4Confident52 Ų5246.9 Ų46.927%0.27229%0.288SS..SBendtrans-97.7-9172.1-64.2175.7000112.6S177 C178 F180 V191 C218 W226S177-L194 CarbonylContact C-O 3.59Å; S177-L194 VanDerWaalsContact CA-O 3.32Å; S177-L194 WeakPolarHBondContact CA-O 3.32Å; S177-L194 WeakPolarHBondContact CB-O 3.34Å; C178-L194 PolarHBondContact N-O 2.85Å; F180-L194 HydrophobicContact CB-CD2 4.46Å; F180-L194 HydrophobicContact CD2-CD1 4.45Å; F180-L194 HydrophobicContact CD2-CD2 4.27Å; V191-L194 HydrophobicContact CG1-CD2 3.81Å; V191-L194 HydrophobicContact CG1-CG 4.36Å; L194-C218 PolarHBondContact O-SG 2.89Å; L194-C218 VanDerWaalsContact O-SG 3.35Å; L194-W226 HydrophobicContact CD2-CH2 4.44Å; L194-W226 HydrophobicContact CD2-CZ2 3.9Å
195H87.5Confident88.4Confident99 Ų9950.1 Ų50.146%0.45831%0.305SS..SBendtrans-72.1158.8172.3-61.895.2000112D193 G197 G198D193-H195 IonicContact OD1-CE1 3.05Å; D193-H195 IonicContact OD1-CG 2.74Å; D193-H195 PolarHBondContact OD1-N 2.76Å; D193-H195 IonicContact OD1-ND1 2.68Å; D193-H195 PolarHBondContact OD1-ND1 3.13Å; D193-H195 IonicContact OD2-CG 3.18Å; D193-H195 IonicContact OD2-ND1 2.63Å; D193-H195 PolarHBondContact OD2-ND1 2.96Å; H195-G197 PolarHBondContact O-N 3.1Å; H195-G198 PolarHBondContact O-N 3.15Å
196P86.6Confident88.7Confident50 Ų5049.7 Ų49.733%0.32530%0.298SS..THydrogen-bonded Turntrans-52.8125.2175.4-30.137.4000113.7C218 N220 P224P196-C218 WeakPolarHBondContact CA-O 3.48Å; P196-N220 HydrophobicContact CB-CB 3.72Å; P196-N220 HydrophobicContact CG-CB 4.38Å; P196-P224 HydrophobicContact CG-CB 4.3Å; P196-P224 HydrophobicContact CG-CG 4.04Å
197G85.2Confident88.7Confident57 Ų5747.7 Ų47.759%0.58829%0.294SS*.THydrogen-bonded Turntrans97.8-14.3-171.700000114.6H195 C218H195-G197 PolarHBondContact O-N 3.1Å; G197-C218 PolarHBondContact N-O 3.45Å
198G88.9Confident88.7Confident6 Ų649.3 Ų49.36%0.06230%0.296CS..  trans-66.4156.7170.600000112.9D193 H195 I217 C218D193-G198 WeakPolarHBondContact O-CA 3.44Å; H195-G198 PolarHBondContact O-N 3.15Å; G198-I217 WeakPolarHBondContact O-CA 3.32Å; G198-C218 PolarHBondContact O-N 3.24Å
199T93.1Very high88.7Confident37 Ų3751 Ų5123%0.22730%0.302CS..EExtended strand (participates in β ladder)trans-122.9147.8-175.1660000112.4V191 T192 T215 L216 I217V191-T199 WeakPolarHBondContact CA-O 3.41Å; T192-T199 WeakPolarHBondContact CG2-OG1 3.3Å; T192-T199 PolarHBondContact N-O 2.89Å; T192-T199 PolarHBondContact OG1-N 3.38Å; T192-T199 PolarHBondContact OG1-O 2.71Å; T192-T199 VanDerWaalsContact OG1-O 3.12Å; T192-T199 PolarHBondContact OG1-OG1 2.64Å; T199-T215 HydrophobicContact CG2-CG2 4.28Å; T199-L216 CarbonylContact C-O 3.59Å; T199-L216 VanDerWaalsContact CA-O 3.29Å; T199-L216 WeakPolarHBondContact CA-O 3.37Å; T199-I217 HydrophobicContact CG2-CG1 4.34Å
200A92Very high88.6Confident0 Ų052.7 Ų52.70%031%0.31CS..EExtended strand (participates in β ladder)trans-122.7116.5170.300000109P181 V189 S190 V191 F202 T215 L216 W226P181-A200 HydrophobicContact CG-CB 3.89Å; V189-A200 HydrophobicContact CG2-CB 3.95Å; S190-A200 CarbonylContact O-C 3.56Å; S190-A200 WeakPolarHBondContact O-CA 3.45Å; V191-A200 HydrophobicContact CG2-CB 3.98Å; A200-F202 HydrophobicContact CB-CE2 4.02Å; A200-F202 HydrophobicContact CB-CZ 4.33Å; A200-F202 WeakPolarHBondContact O-CE2 3.41Å; A200-T215 CarbonylContact O-C 3.57Å; A200-T215 WeakPolarHBondContact O-CA 3.26Å; A200-L216 PolarHBondContact N-O 2.88Å; A200-L216 PolarHBondContact O-N 2.79Å; A200-W226 HydrophobicContact CB-CE3 4.25Å; A200-W226 HydrophobicContact CB-CH2 3.71Å; A200-W226 HydrophobicContact CB-CZ2 4.2Å; A200-W226 HydrophobicContact CB-CZ3 3.73Å
201T93.9Very high88.6Confident27 Ų2754.4 Ų54.417%0.16631%0.312CS..EExtended strand (participates in β ladder)trans-105.7128.7-178.6-45.70000109.6V189 S190 E214V189-T201 WeakPolarHBondContact CA-O 3.47Å; S190-T201 PolarHBondContact N-O 2.96Å; S190-T201 PolarHBondContact O-N 3.39Å; S190-T201 PolarHBondContact OG-O 2.84Å; T201-E214 CarbonylContact C-O 3.4Å; T201-E214 WeakPolarHBondContact CA-O 3.36Å; T201-E214 HydrophobicContact CG2-CG 4.18Å
202F93.5Very high88.5Confident2 Ų255.3 Ų55.31%0.00933%0.33CS..EExtended strand (participates in β ladder)trans-102.8139.5-173-64.8-97.8000110.8P181 P184 V189 A200 L210 E214 L216 T230 P231P181-F202 HydrophobicContact CB-CE1 4.31Å; P181-F202 HydrophobicContact CB-CZ 3.87Å; P181-F202 HydrophobicContact CG-CZ 4.16Å; P184-F202 HydrophobicContact CG-CD1 4.41Å; V189-F202 HydrophobicContact CB-CD1 3.86Å; V189-F202 HydrophobicContact CB-CE1 3.84Å; V189-F202 HydrophobicContact CB-CZ 4.44Å; V189-F202 HydrophobicContact CG2-CD1 3.67Å; V189-F202 HydrophobicContact CG2-CD2 4.14Å; V189-F202 HydrophobicContact CG2-CE1 3.46Å; V189-F202 VanDerWaalsContact CG2-CE1 3.46Å; V189-F202 HydrophobicContact CG2-CE2 3.92Å; V189-F202 HydrophobicContact CG2-CG 4.01Å; V189-F202 HydrophobicContact CG2-CZ 3.58Å; A200-F202 HydrophobicContact CB-CE2 4.02Å; A200-F202 HydrophobicContact CB-CZ 4.33Å; A200-F202 WeakPolarHBondContact O-CE2 3.41Å; F202-L210 HydrophobicContact CB-CD1 4.09Å; F202-L210 HydrophobicContact CB-CD2 4.26Å; F202-E214 PolarHBondContact N-O 2.57Å; F202-L216 HydrophobicContact CD2-CG 4.49Å; F202-L216 HydrophobicContact CE2-CB 4.12Å; F202-L216 HydrophobicContact CE2-CD1 3.71Å; F202-L216 HydrophobicContact CE2-CG 3.71Å; F202-L216 HydrophobicContact CZ-CD1 3.93Å; F202-L216 HydrophobicContact CZ-CG 4.44Å; F202-T230 HydrophobicContact CE1-CG2 3.95Å; F202-T230 HydrophobicContact CZ-CG2 3.86Å; F202-P231 HydrophobicContact CB-CG 3.59Å; F202-P231 HydrophobicContact CD1-CG 3.84Å; F202-P231 HydrophobicContact CD2-CG 3.82Å; F202-P231 HydrophobicContact CG-CG 3.45Å; F202-P231 VanDerWaalsContact CG-CG 3.45Å
203H91.9Very high88.7Confident88 Ų8856.7 Ų56.741%0.40733%0.329SS..EExtended strand (participates in β ladder)trans-132.4139.1-177.9-51-44.4000109.3G187 D188 S190G187-H203 CarbonylContact C-O 3.46Å; G187-H203 WeakPolarHBondContact CA-O 3.36Å; D188-H203 PolarHBondContact N-O 2.98Å; D188-H203 PolarHBondContact O-N 3.12Å; S190-H203 PolarHBondContact OG-NE2 2.87Å
204C90.4Very high89.2Confident38 Ų3858.7 Ų58.726%0.25734%0.336SS..EExtended strand (participates in β ladder)trans-99.8151.9176.8-62.60000112L210 C233C204-L210 WeakPolarHBondContact SG-CA 3.35Å; C204-L210 WeakPolarHBondContact SG-CD1 3.48Å; C204-L210 PolarHBondContact SG-N 3.36Å; C204-L210 VanDerWaalsContact SG-N 3.43Å; C204-C233 WeakPolarHBondContact CA-SG 3.46Å; C204-C233 HydrophobicContact CB-CB 3.75Å; C204-C233 WeakPolarHBondContact CB-SG 3.07Å; C204-C233 VanDerWaalsContact SG-CA 3.54Å; C204-C233 WeakPolarHBondContact SG-CB 3.21Å; C204-C233 CovalentContact SG-SG 2.04Å; C204-C233 PolarHBondContact SG-SG 3.22Å
205D87.6Confident89.5Confident85 Ų8558.8 Ų58.846%0.45534%0.339SS..PPolyproline II helixtrans-65.2154.3171-67.9-39.3000111.2H186 G187 G207 Y208H186-D205 VanDerWaalsContact CA-OD2 3.25Å; H186-D205 WeakPolarHBondContact CA-OD2 3.31Å; H186-D205 PolarHBondContact O-N 2.91Å; G187-D205 PolarHBondContact N-OD2 3.47Å; D205-G207 PolarHBondContact O-N 2.61Å; D205-Y208 HydrophobicContact CB-CD2 4.19Å; D205-Y208 PolarHBondContact O-N 2.87Å
206S85.7Confident89.8Confident63 Ų6354.1 Ų54.144%0.44132%0.317SS..THydrogen-bonded Turntrans-53.5128-17860.30000111.7R248S206-R248 WeakPolarHBondContact O-CD 3.42Å; S206-R248 WeakPolarHBondContact OG-CB 3.34Å; S206-R248 PolarHBondContact OG-NE 2.89Å
207G84.3Confident90.1Very high22 Ų2255.2 Ų55.223%0.22732%0.32CS..THydrogen-bonded Turntrans94.2-14.5-178.100000114.7D205 R248 V250D205-G207 PolarHBondContact O-N 2.61Å; G207-R248 VanDerWaalsContact CA-O 3.25Å; G207-R248 WeakPolarHBondContact CA-O 3.34Å; G207-V250 VanDerWaalsContact O-CG2 3.32Å; G207-V250 WeakPolarHBondContact O-CG2 3.15Å
208Y87.4Confident90.4Very high50 Ų5052.6 Ų52.620%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-97.3146.4170.3-63.3-98.4000110.7H186 D205 A235 V250H186-Y208 HydrophobicContact CB-CD1 3.74Å; H186-Y208 HydrophobicContact CB-CD2 3.79Å; H186-Y208 HydrophobicContact CB-CE1 3.66Å; H186-Y208 HydrophobicContact CB-CE2 3.71Å; H186-Y208 HydrophobicContact CB-CG 3.82Å; H186-Y208 AromaticContact CD2-CE1 3.29Å; H186-Y208 WeakPolarHBondContact CD2-CE1 3.14Å; H186-Y208 AromaticContact CD2-CZ 3.6Å; H186-Y208 AromaticContact CG-CE1 3.51Å; H186-Y208 AromaticContact CG-CE2 3.95Å; H186-Y208 AromaticContact CG-CZ 3.42Å; H186-Y208 VanDerWaalsContact CG-CZ 3.42Å; H186-Y208 AromaticContact ND1-CZ 3.9Å; D205-Y208 HydrophobicContact CB-CD2 4.19Å; D205-Y208 PolarHBondContact O-N 2.87Å; Y208-A235 HydrophobicContact CD1-CB 4.2Å; Y208-A235 HydrophobicContact CE1-CB 4.14Å; Y208-V250 HydrophobicContact CD1-CG2 4.5Å; Y208-V250 HydrophobicContact CD2-CG2 4.01Å; Y208-V250 HydrophobicContact CE1-CG2 4.3Å; Y208-V250 HydrophobicContact CE2-CB 4.33Å; Y208-V250 HydrophobicContact CE2-CG1 4.03Å; Y208-V250 HydrophobicContact CE2-CG2 3.78Å; Y208-V250 HydrophobicContact CG-CG2 4.35Å
209Q87.1Confident90.5Very high116 Ų11656.4 Ų56.454%0.54231%0.311SS..EExtended strand (participates in β ladder)trans-113.1137.2176.3-171.7173.112.700110.4M234Q209-M234 PolarHBondContact N-O 2.81Å; Q209-M234 PolarHBondContact O-N 2.8Å
210L89.1Confident90.1Very high42 Ų4261.6 Ų61.622%0.2234%0.337CS..EExtended strand (participates in β ladder)trans-71136.2178.9-162.674000111.2F202 C204 E214 P231F202-L210 HydrophobicContact CB-CD1 4.09Å; F202-L210 HydrophobicContact CB-CD2 4.26Å; C204-L210 WeakPolarHBondContact SG-CA 3.35Å; C204-L210 WeakPolarHBondContact SG-CD1 3.48Å; C204-L210 PolarHBondContact SG-N 3.36Å; C204-L210 VanDerWaalsContact SG-N 3.43Å; L210-E214 HydrophobicContact CD2-CB 3.98Å; L210-E214 HydrophobicContact CD2-CG 4.13Å; L210-P231 HydrophobicContact CD1-CB 3.71Å; L210-P231 HydrophobicContact CD1-CG 3.75Å; L210-P231 HydrophobicContact CD2-CB 4.26Å; L210-P231 HydrophobicContact CD2-CG 4.23Å; L210-P231 HydrophobicContact CG-CB 3.87Å; L210-P231 HydrophobicContact CG-CG 4.21Å
211Q90.1Very high89.6Confident90 Ų9063.2 Ų63.242%0.42135%0.354SS..EExtended strand (participates in β ladder)trans-129.597-176.4-66.3-76.5-11.500108.5P231 S232 M234Q211-P231 WeakPolarHBondContact O-CA 3.32Å; Q211-P231 WeakPolarHBondContact O-CB 3.34Å; Q211-S232 PolarHBondContact N-O 2.84Å; Q211-S232 PolarHBondContact O-N 2.9Å; Q211-M234 HydrophobicContact CB-CE 4.06Å; Q211-M234 HydrophobicContact CG-CB 4.16Å; Q211-M234 HydrophobicContact CG-CE 3.61Å; Q211-M234 HydrophobicContact CG-CG 4.14Å
212G88.4Confident88.8Confident62 Ų6268.1 Ų68.164%0.63938%0.384SS*.SBendtrans136.9-162.9-172.700000111.2
213E91.3Very high88.3Confident131 Ų13177.3 Ų77.361%0.61242%0.418SS*.  trans-78.8130.5175.9-70.5-69.5174.400111T215 L216 P231E213-T215 VanDerWaalsContact C-N 3.32Å; E213-T215 PolarHBondContact O-N 2.81Å; E213-L216 HydrophobicContact CB-CD2 4.05Å; E213-P231 WeakPolarHBondContact O-CG 3.28Å
214E92.6Very high88Confident116 Ų11674 Ų7454%0.54241%0.405SS..SBendtrans-67.7-31.6178.4-172.6-177.5174.400112.7T201 F202 L210T201-E214 CarbonylContact C-O 3.4Å; T201-E214 WeakPolarHBondContact CA-O 3.36Å; T201-E214 HydrophobicContact CG2-CG 4.18Å; F202-E214 PolarHBondContact N-O 2.57Å; L210-E214 HydrophobicContact CD2-CB 3.98Å; L210-E214 HydrophobicContact CD2-CG 4.13Å
215T92.9Very high87.9Confident53 Ų5375.2 Ų75.233%0.32541%0.414SS..EExtended strand (participates in β ladder)trans-129.2119.1-179.6-54.30000111T199 A200 E213T199-T215 HydrophobicContact CG2-CG2 4.28Å; A200-T215 CarbonylContact O-C 3.57Å; A200-T215 WeakPolarHBondContact O-CA 3.26Å; E213-T215 VanDerWaalsContact C-N 3.32Å; E213-T215 PolarHBondContact O-N 2.81Å
216L93.3Very high88.1Confident1 Ų173 Ų731%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-93.2150.6167.3-59.7-178.1000110.7T199 A200 F202 E213 W226 N227 T230T199-L216 CarbonylContact C-O 3.59Å; T199-L216 VanDerWaalsContact CA-O 3.29Å; T199-L216 WeakPolarHBondContact CA-O 3.37Å; A200-L216 PolarHBondContact N-O 2.88Å; A200-L216 PolarHBondContact O-N 2.79Å; F202-L216 HydrophobicContact CD2-CG 4.49Å; F202-L216 HydrophobicContact CE2-CB 4.12Å; F202-L216 HydrophobicContact CE2-CD1 3.71Å; F202-L216 HydrophobicContact CE2-CG 3.71Å; F202-L216 HydrophobicContact CZ-CD1 3.93Å; F202-L216 HydrophobicContact CZ-CG 4.44Å; E213-L216 HydrophobicContact CB-CD2 4.05Å; L216-W226 HydrophobicContact CB-CB 4.32Å; L216-W226 HydrophobicContact CB-CD2 4.35Å; L216-W226 HydrophobicContact CB-CE3 3.82Å; L216-W226 HydrophobicContact CD1-CB 4.18Å; L216-N227 WeakPolarHBondContact CA-OD1 3.46Å; L216-N227 WeakPolarHBondContact CB-OD1 3.21Å; L216-N227 WeakPolarHBondContact CD2-OD1 3.41Å; L216-T230 HydrophobicContact CD1-CG2 4.33Å
217I92.6Very high88.4Confident74 Ų7473.5 Ų73.538%0.37940%0.397SS..EExtended strand (participates in β ladder)trans-123.7131.9-177.4-51.3179.3000109G198 T199 L219 W226 N227G198-I217 WeakPolarHBondContact O-CA 3.32Å; T199-I217 HydrophobicContact CG2-CG1 4.34Å; I217-L219 PolarHBondContact O-N 2.84Å; I217-W226 VanDerWaalsContact C-CE3 3.48Å; I217-N227 PolarHBondContact N-OD1 3.2Å; I217-N227 PolarHBondContact O-N 3.23Å; I217-N227 PolarHBondContact O-OD1 2.8Å
218C91.9Very high88.6Confident2 Ų274.2 Ų74.21%0.01440%0.404CS..EExtended strand (participates in β ladder)trans-73.6114.9177.2-177.80000110.4C178 L194 P196 G197 G198 W226C178-C218 HydrophobicContact CB-CB 3.92Å; C178-C218 WeakPolarHBondContact CB-SG 3.43Å; C178-C218 WeakPolarHBondContact SG-CA 3.43Å; C178-C218 WeakPolarHBondContact SG-CB 3.3Å; C178-C218 CovalentContact SG-SG 2.03Å; C178-C218 PolarHBondContact SG-SG 3.3Å; L194-C218 PolarHBondContact O-SG 2.89Å; L194-C218 VanDerWaalsContact O-SG 3.35Å; P196-C218 WeakPolarHBondContact CA-O 3.48Å; G197-C218 PolarHBondContact N-O 3.45Å; G198-C218 PolarHBondContact O-N 3.24Å; C218-W226 HydrophobicContact CB-CE3 4.19Å; C218-W226 HydrophobicContact CB-CH2 4.11Å; C218-W226 HydrophobicContact CB-CZ3 3.85Å
219L90.6Very high88.8Confident86 Ų8680.5 Ų80.545%0.4544%0.436SS..EExtended strand (participates in β ladder)trans-80.6141.3-177.4-61.5-178.2000112.1I217 P224 S225 N227I217-L219 PolarHBondContact O-N 2.84Å; L219-P224 WeakPolarHBondContact O-CA 3.07Å; L219-P224 WeakPolarHBondContact O-CB 3.45Å; L219-S225 WeakPolarHBondContact CB-O 3.45Å; L219-S225 PolarHBondContact N-O 2.89Å; L219-N227 HydrophobicContact CD1-CB 4.12Å; L219-N227 HydrophobicContact CD2-CB 3.99Å; L219-N227 HydrophobicContact CG-CB 4.02Å
220N86.4Confident88.7Confident146 Ų14678 Ų7878%0.78143%0.428SS*.  trans-76.2125.1176.3-166.2-6.6000111.3P196P196-N220 HydrophobicContact CB-CB 3.72Å; P196-N220 HydrophobicContact CG-CB 4.38Å
221G79.7Confident88.9Confident33 Ų3376.2 Ų76.234%0.3442%0.419SS..SBendtrans-174175-179.800000112.9R223 P224G221-R223 PolarHBondContact O-N 3.42Å; G221-P224 WeakPolarHBondContact O-CD 2.98Å
222T77.8Confident88.9Confident131 Ų13174.5 Ų74.580%0.80442%0.417SS*.SBendtrans-66.8-17.1177.451.30000113.6
223R82.9Confident88.9Confident194 Ų19472 Ų7273%0.73239%0.39SS*.SBendtrans-137.6100.9161.5-66.1-179179.8179.2-2.8106.3G221G221-R223 PolarHBondContact O-N 3.42Å
224P84.9Confident88.7Confident18 Ų1870.3 Ų70.312%0.11738%0.383CS..  trans-60.6139.5179.1-26.737.5000111.6C178 P196 L219 G221C178-P224 VanDerWaalsContact SG-C 3.59Å; P196-P224 HydrophobicContact CG-CB 4.3Å; P196-P224 HydrophobicContact CG-CG 4.04Å; L219-P224 WeakPolarHBondContact O-CA 3.07Å; L219-P224 WeakPolarHBondContact O-CB 3.45Å; G221-P224 WeakPolarHBondContact O-CD 2.98Å
225S90Very high88.3Confident65 Ų6565.7 Ų65.746%0.45536%0.364SS..EExtended strand (participates in β ladder)trans-141.2156.2177.969.70000110.4C178 L219C178-S225 PolarHBondContact SG-N 2.86Å; C178-S225 VanDerWaalsContact SG-N 3.42Å; L219-S225 WeakPolarHBondContact CB-O 3.45Å; L219-S225 PolarHBondContact N-O 2.89Å
226W91.1Very high87.8Confident37 Ų3765.5 Ų65.514%0.1437%0.365CS..EExtended strand (participates in β ladder)trans-61.8153.5168.9-59.8106000110.8C178 G179 P181 V191 L194 A200 L216 I217 C218 G228C178-W226 HydrophobicContact CB-CD2 4.37Å; C178-W226 HydrophobicContact CB-CH2 4.49Å; C178-W226 HydrophobicContact CB-CZ2 3.8Å; G179-W226 PolarHBondContact O-NE1 3.2Å; P181-W226 HydrophobicContact CG-CZ2 4.34Å; V191-W226 HydrophobicContact CG1-CH2 4.35Å; L194-W226 HydrophobicContact CD2-CH2 4.44Å; L194-W226 HydrophobicContact CD2-CZ2 3.9Å; A200-W226 HydrophobicContact CB-CE3 4.25Å; A200-W226 HydrophobicContact CB-CH2 3.71Å; A200-W226 HydrophobicContact CB-CZ2 4.2Å; A200-W226 HydrophobicContact CB-CZ3 3.73Å; L216-W226 HydrophobicContact CB-CB 4.32Å; L216-W226 HydrophobicContact CB-CD2 4.35Å; L216-W226 HydrophobicContact CB-CE3 3.82Å; L216-W226 HydrophobicContact CD1-CB 4.18Å; I217-W226 VanDerWaalsContact C-CE3 3.48Å; C218-W226 HydrophobicContact CB-CE3 4.19Å; C218-W226 HydrophobicContact CB-CH2 4.11Å; C218-W226 HydrophobicContact CB-CZ3 3.85Å; W226-G228 VanDerWaalsContact C-N 3.27Å; W226-G228 PolarHBondContact O-N 2.8Å
227N92.3Very high87.4Confident74 Ų7468 Ų6840%0.39638%0.382SS..SBendtrans-75.3-9.5-178.666.2-41000114.7L216 I217 L219L216-N227 WeakPolarHBondContact CA-OD1 3.46Å; L216-N227 WeakPolarHBondContact CB-OD1 3.21Å; L216-N227 WeakPolarHBondContact CD2-OD1 3.41Å; I217-N227 PolarHBondContact N-OD1 3.2Å; I217-N227 PolarHBondContact O-N 3.23Å; I217-N227 PolarHBondContact O-OD1 2.8Å; L219-N227 HydrophobicContact CD1-CB 4.12Å; L219-N227 HydrophobicContact CD2-CB 3.99Å; L219-N227 HydrophobicContact CG-CB 4.02Å
228G88.8Confident87Confident37 Ų3765.3 Ų65.338%0.38137%0.373SS..SBendtrans-157.7-179.7-178.300000111.9W226W226-G228 VanDerWaalsContact C-N 3.27Å; W226-G228 PolarHBondContact O-N 2.8Å
229E90.1Very high86.9Confident183 Ų18367 Ų6786%0.85539%0.391SS*.PPolyproline II helixtrans-79.1153.4173-62-177.6165.800110.3
230T86.5Confident86.9Confident62 Ų6266.6 Ų66.638%0.3839%0.392SS..PPolyproline II helixtrans-67.2129.3177.945.30000110.8P181 P182 F202 L216P181-T230 HydrophobicContact CB-CG2 4.17Å; P182-T230 HydrophobicContact CG-CG2 3.98Å; F202-T230 HydrophobicContact CE1-CG2 3.95Å; F202-T230 HydrophobicContact CZ-CG2 3.86Å; L216-T230 HydrophobicContact CD1-CG2 4.33Å
231P92.3Very high87.2Confident6 Ų662.1 Ų62.14%0.03937%0.368CS..PPolyproline II helixtrans-64.4156.4178.630.6-38.6000111.6F202 L210 Q211 E213F202-P231 HydrophobicContact CB-CG 3.59Å; F202-P231 HydrophobicContact CD1-CG 3.84Å; F202-P231 HydrophobicContact CD2-CG 3.82Å; F202-P231 HydrophobicContact CG-CG 3.45Å; F202-P231 VanDerWaalsContact CG-CG 3.45Å; L210-P231 HydrophobicContact CD1-CB 3.71Å; L210-P231 HydrophobicContact CD1-CG 3.75Å; L210-P231 HydrophobicContact CD2-CB 4.26Å; L210-P231 HydrophobicContact CD2-CG 4.23Å; L210-P231 HydrophobicContact CG-CB 3.87Å; L210-P231 HydrophobicContact CG-CG 4.21Å; Q211-P231 WeakPolarHBondContact O-CA 3.32Å; Q211-P231 WeakPolarHBondContact O-CB 3.34Å; E213-P231 WeakPolarHBondContact O-CG 3.28Å
232S90.3Very high87.8Confident53 Ų5366.4 Ų66.437%0.37138%0.379SS..EExtended strand (participates in β ladder)trans-102.6152.3171.161.50000111.4Q211Q211-S232 PolarHBondContact N-O 2.84Å; Q211-S232 PolarHBondContact O-N 2.9Å
233C89.8Confident88.5Confident10 Ų1066 Ų667%0.06837%0.372CS..EExtended strand (participates in β ladder)trans-100.6119.3169.1-66.80000108.3A185 H186 C204A185-C233 WeakPolarHBondContact O-CB 3.41Å; H186-C233 WeakPolarHBondContact O-CB 3.08Å; C204-C233 WeakPolarHBondContact CA-SG 3.46Å; C204-C233 HydrophobicContact CB-CB 3.75Å; C204-C233 WeakPolarHBondContact CB-SG 3.07Å; C204-C233 VanDerWaalsContact SG-CA 3.54Å; C204-C233 WeakPolarHBondContact SG-CB 3.21Å; C204-C233 CovalentContact SG-SG 2.04Å; C204-C233 PolarHBondContact SG-SG 3.22Å
234M85.3Confident88.9Confident96 Ų9657 Ų5747%0.47334%0.339SS..EExtended strand (participates in β ladder)trans-123136.7-177.3-60.2-154.6-7000111.3Q209 Q211Q209-M234 PolarHBondContact N-O 2.81Å; Q209-M234 PolarHBondContact O-N 2.8Å; Q211-M234 HydrophobicContact CB-CE 4.06Å; Q211-M234 HydrophobicContact CG-CB 4.16Å; Q211-M234 HydrophobicContact CG-CE 3.61Å; Q211-M234 HydrophobicContact CG-CG 4.14Å
235A85.5Confident89.2Confident18 Ų1860.5 Ų60.515%0.14936%0.36CS..EExtended strand (participates in β ladder)trans-68.3135.8176.100000111.4Y208 V250 P252Y208-A235 HydrophobicContact CD1-CB 4.2Å; Y208-A235 HydrophobicContact CE1-CB 4.14Å; A235-V250 HydrophobicContact CB-CB 4.32Å; A235-V250 HydrophobicContact CB-CG2 3.62Å; A235-P252 HydrophobicContact CB-CG 4.5Å
236S82.8Confident89.3Confident49 Ų4962.5 Ų62.534%0.34337%0.365SS..  trans-88.7114.5178.248.90000111.6G238 W266S236-G238 VanDerWaalsContact C-N 3.34Å; S236-G238 PolarHBondContact O-N 3.06Å; S236-W266 PolarHBondContact O-NE1 3.17Å
237C82.9Confident89.3Confident53 Ų5361.5 Ų61.536%0.35837%0.366SS..SBendtrans-73.584.5176.2-175.60000111.4P252 L262 C264C237-P252 HydrophobicContact CB-CG 3.85Å; C237-L262 HydrophobicContact CB-CD1 4.5Å; C237-L262 VanDerWaalsContact SG-CD1 3.56Å; C237-C264 WeakPolarHBondContact CA-SG 3.36Å; C237-C264 HydrophobicContact CB-CB 4.08Å; C237-C264 WeakPolarHBondContact CB-SG 3.41Å; C237-C264 WeakPolarHBondContact SG-CA 3.36Å; C237-C264 WeakPolarHBondContact SG-CB 3.3Å; C237-C264 CovalentContact SG-SG 2.04Å; C237-C264 PolarHBondContact SG-SG 2.79Å
238G84.9Confident89.2Confident18 Ų1861.8 Ų61.819%0.18636%0.362CS..SBendtrans89.3171.4-177.400000115S236 R265 W266S236-G238 VanDerWaalsContact C-N 3.34Å; S236-G238 PolarHBondContact O-N 3.06Å; G238-R265 CarbonylContact C-O 3.59Å; G238-R265 WeakPolarHBondContact CA-O 3.15Å; G238-W266 VanDerWaalsContact CA-CD1 3.48Å; G238-W266 VanDerWaalsContact N-CE2 3.33Å; G238-W266 VanDerWaalsContact N-NE1 3.13Å
239G89.3Confident89.4Confident39 Ų3960.2 Ų60.240%0.40235%0.345SS..EExtended strand (participates in β ladder)trans148.8-178.2-177.500000112.7R265 W266 V267G239-R265 PolarHBondContact N-O 3.3Å; G239-W266 CarbonylContact O-C 3.55Å; G239-W266 WeakPolarHBondContact O-CA 3.02Å; G239-V267 PolarHBondContact O-N 2.92Å
240T91.9Very high89.3Confident76 Ų7651.7 Ų51.747%0.46631%0.305SS..EExtended strand (participates in β ladder)trans-123.8130174-53.60000110.4H242 V267T240-H242 WeakPolarHBondContact CG2-CE1 3.48Å; T240-V267 CarbonylContact C-O 3.55Å; T240-V267 VanDerWaalsContact CA-O 3.32Å; T240-V267 WeakPolarHBondContact CA-O 3.4Å; T240-V267 HydrophobicContact CG2-CB 4.04Å; T240-V267 HydrophobicContact CG2-CG1 4.22Å
241I92Very high89.2Confident52 Ų5249.1 Ų49.127%0.26729%0.29SS..EExtended strand (participates in β ladder)trans-11295.1-177.9-53179.5000107.9A244 I249 V267 E269 F344I241-A244 HydrophobicContact CG2-CB 4.22Å; I241-I249 HydrophobicContact CD1-CD1 4.3Å; I241-I249 HydrophobicContact CD1-CG1 4.2Å; I241-V267 PolarHBondContact N-O 2.79Å; I241-E269 PolarHBondContact O-N 2.93Å; I241-F344 HydrophobicContact CD1-CE1 3.6Å; I241-F344 HydrophobicContact CD1-CZ 3.64Å; I241-F344 HydrophobicContact CG2-CE2 4.3Å; I241-F344 HydrophobicContact CG2-CZ 3.93Å
242H92.3Very high88.6Confident123 Ų12349.8 Ų49.857%0.56929%0.294SS*.EExtended strand (participates in β ladder)trans-84.1146.7177.8-54.7-71.2000111.8T240 A244 E269T240-H242 WeakPolarHBondContact CG2-CE1 3.48Å; H242-A244 VanDerWaalsContact C-N 3.27Å; H242-A244 PolarHBondContact O-N 2.82Å; H242-E269 CarbonylContact C-O 3.5Å; H242-E269 IonicContact CE1-OE2 3.72Å; H242-E269 PolarHBondContact CE1-OE2 3.41Å; H242-E269 IonicContact CG-OE2 3.54Å; H242-E269 IonicContact ND1-OE2 2.75Å; H242-E269 PolarHBondContact ND1-OE2 2.91Å
243N91.9Very high87.6Confident123 Ų12353.1 Ų53.166%0.65830%0.304SS*.EExtended strand (participates in β ladder)trans52.643.9-175.5-63-46.4000112.8E269N243-E269 CarbonylContact C-O 3.46Å; N243-E269 WeakPolarHBondContact CA-O 3.28Å; N243-E269 PolarHBondContact N-O 2.83Å
244A91Very high86Confident5 Ų555.7 Ų55.74%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-54.6136.8174.800000111.4I241 H242 I268 E269 L276 F344 A346I241-A244 HydrophobicContact CG2-CB 4.22Å; H242-A244 VanDerWaalsContact C-N 3.27Å; H242-A244 PolarHBondContact O-N 2.82Å; A244-I268 HydrophobicContact CB-CG2 3.53Å; A244-E269 PolarHBondContact N-O 3.31Å; A244-L276 HydrophobicContact CB-CD2 4.1Å; A244-F344 HydrophobicContact CB-CD2 4.26Å; A244-F344 HydrophobicContact CB-CE2 3.86Å; A244-A346 WeakPolarHBondContact O-CB 3.4Å
245T92.2Very high84.5Confident91 Ų9154.9 Ų54.956%0.55834%0.337SS*.SBendtrans-132.2-55.8179.148.60000110.9E345 A346T245-E345 CarbonylContact O-C 3.59Å; T245-E345 WeakPolarHBondContact O-CA 3.01Å; T245-A346 PolarHBondContact O-N 3.19Å
246L92.3Very high82.9Confident107 Ų10756.3 Ų56.356%0.5635%0.353SS*.EExtended strand (participates in β ladder)trans-150.4142.1169.9175.965.1000108.3F344 E345L246-F344 CarbonylContact C-O 3.46Å; L246-F344 WeakPolarHBondContact CA-O 3.43Å; L246-E345 HydrophobicContact CD1-CB 4Å
247G90.7Very high81.2Confident17 Ų1759.4 Ų59.418%0.17538%0.381CS..EExtended strand (participates in β ladder)trans-178.7-166.8173.300000113.5R343 F344G247-R343 WeakPolarHBondContact O-CA 3.4Å; G247-F344 VanDerWaalsContact C-CE1 3.44Å; G247-F344 VanDerWaalsContact CA-CZ 3.48Å; G247-F344 PolarHBondContact N-O 2.94Å; G247-F344 PolarHBondContact O-N 3.01Å
248R91Very high79.8Confident79 Ų7961 Ų6130%0.29839%0.389SS..EExtended strand (participates in β ladder)trans-142.6147.4-179.8-171-172.9-66.5-136.7-5110.6S206 G207 V250 E281 S341 L342S206-R248 WeakPolarHBondContact O-CD 3.42Å; S206-R248 WeakPolarHBondContact OG-CB 3.34Å; S206-R248 PolarHBondContact OG-NE 2.89Å; G207-R248 VanDerWaalsContact CA-O 3.25Å; G207-R248 WeakPolarHBondContact CA-O 3.34Å; R248-V250 HydrophobicContact CG-CG1 4.23Å; R248-E281 VanDerWaalsContact CZ-CD 3.41Å; R248-E281 IonicContact CZ-OE1 3.65Å; R248-E281 IonicContact CZ-OE2 3.17Å; R248-E281 IonicContact NE-OE1 2.78Å; R248-E281 IonicContact NE-OE2 3.61Å; R248-E281 PolarHBondContact NE-OE2 2.9Å; R248-E281 IonicContact NH1-OE1 3.7Å; R248-E281 IonicContact NH1-OE2 3.79Å; R248-E281 PolarHBondContact NH1-OE2 2.86Å; R248-E281 VanDerWaalsContact NH2-CD 3.34Å; R248-E281 IonicContact NH2-OE1 3.79Å; R248-E281 PolarHBondContact NH2-OE1 2.84Å; R248-E281 IonicContact NH2-OE2 2.68Å; R248-E281 PolarHBondContact NH2-OE2 2.74Å; R248-S341 WeakPolarHBondContact CD-OG 3.33Å; R248-S341 PolarHBondContact NH1-OG 2.77Å; R248-S341 VanDerWaalsContact NH1-OG 3.12Å; R248-L342 CarbonylContact C-O 3.59Å; R248-L342 VanDerWaalsContact CA-O 3.24Å; R248-L342 WeakPolarHBondContact CA-O 3.42Å; R248-L342 WeakPolarHBondContact CG-O 3.49Å
249I91.8Very high78.4Confident4 Ų462.5 Ų62.52%0.02141%0.405CS..EExtended strand (participates in β ladder)trans-117.1135.8168.9-73.2162.6000108I241 W266 I268 L342 F344I241-I249 HydrophobicContact CD1-CD1 4.3Å; I241-I249 HydrophobicContact CD1-CG1 4.2Å; I249-W266 HydrophobicContact CD1-CB 3.74Å; I249-W266 HydrophobicContact CD1-CG 3.93Å; I249-W266 HydrophobicContact CG1-CG 4.2Å; I249-W266 HydrophobicContact CG2-CD2 3.48Å; I249-W266 VanDerWaalsContact CG2-CD2 3.48Å; I249-W266 HydrophobicContact CG2-CE3 3.88Å; I249-W266 HydrophobicContact CG2-CG 3.9Å; I249-W266 HydrophobicContact CG2-CH2 3.97Å; I249-W266 HydrophobicContact CG2-CZ2 3.63Å; I249-W266 HydrophobicContact CG2-CZ3 4.1Å; I249-I268 HydrophobicContact CD1-CD1 3.63Å; I249-I268 HydrophobicContact CD1-CG1 3.9Å; I249-L342 HydrophobicContact CB-CB 4.47Å; I249-L342 PolarHBondContact N-O 3.45Å; I249-L342 PolarHBondContact O-N 3.35Å; I249-F344 HydrophobicContact CD1-CD1 4.22Å; I249-F344 HydrophobicContact CD1-CE1 4.4Å; I249-F344 HydrophobicContact CG1-CD1 4.25Å; I249-F344 HydrophobicContact CG1-CE1 4.16Å
250V88.7Confident77Confident5 Ų565.1 Ų65.13%0.0342%0.415CS..EExtended strand (participates in β ladder)trans-133147.5179.6-78.10000111.5G207 Y208 A235 R248 L340G207-V250 VanDerWaalsContact O-CG2 3.32Å; G207-V250 WeakPolarHBondContact O-CG2 3.15Å; Y208-V250 HydrophobicContact CD1-CG2 4.5Å; Y208-V250 HydrophobicContact CD2-CG2 4.01Å; Y208-V250 HydrophobicContact CE1-CG2 4.3Å; Y208-V250 HydrophobicContact CE2-CB 4.33Å; Y208-V250 HydrophobicContact CE2-CG1 4.03Å; Y208-V250 HydrophobicContact CE2-CG2 3.78Å; Y208-V250 HydrophobicContact CG-CG2 4.35Å; A235-V250 HydrophobicContact CB-CB 4.32Å; A235-V250 HydrophobicContact CB-CG2 3.62Å; R248-V250 HydrophobicContact CG-CG1 4.23Å; V250-L340 VanDerWaalsContact CA-O 3.26Å; V250-L340 WeakPolarHBondContact CA-O 3.39Å
251S85.4Confident76Confident7 Ų765.5 Ų65.55%0.04941%0.414CS..PPolyproline II helixtrans-78.6147.2170.657.50000111.8L338 L340S251-L338 PolarHBondContact OG-O 3.32Å; S251-L340 PolarHBondContact N-O 3.37Å; S251-L340 VanDerWaalsContact N-O 3.09Å; S251-L340 PolarHBondContact OG-N 3.23Å
252P79.8Confident75.3Confident21 Ų2163.9 Ų63.914%0.13641%0.406CS..PPolyproline II helixtrans-60.2149.8165.4-20.631.7000112.9A235 C237 L262A235-P252 HydrophobicContact CB-CG 4.5Å; C237-P252 HydrophobicContact CB-CG 3.85Å; P252-L262 HydrophobicContact CG-CD1 4.45Å
253E69.2Low75Confident122 Ų12261.1 Ų61.157%0.5740%0.398SS*.PPolyproline II helixtrans-77.1142.4176.7-64.8-179.1177.200112.1H186 G255 G256H186-E253 IonicContact CD2-OE1 2.75Å; H186-E253 IonicContact CE1-OE1 3.01Å; H186-E253 IonicContact NE2-OE1 3.47Å; H186-E253 PolarHBondContact NE2-OE1 2.81Å; E253-G255 PolarHBondContact O-N 2.04Å; E253-G256 PolarHBondContact O-N 3.34Å
254P54.9Low74.8Confident65 Ų6555.3 Ų55.342%0.42237%0.366SS..THydrogen-bonded Turntrans-59.6110.7176-24.834.8000112.8P334P254-P334 HydrophobicContact CB-CB 4.14Å
255G53.5Low74.9Confident79 Ų7961 Ų6181%0.81439%0.387SS*.THydrogen-bonded Turntrans127.8-18.2178.800000114.6E253 A257E253-G255 PolarHBondContact O-N 2.04Å; G255-A257 PolarHBondContact O-N 3.26Å
256G53.1Low75Confident47 Ų4757 Ų5749%0.48536%0.362SS..SBendtrans-7783.617800000113.9E253 V258E253-G256 PolarHBondContact O-N 3.34Å; G256-V258 PolarHBondContact O-N 2.81Å
257A45.9Very low75.1Confident114 Ų11452.8 Ų52.894%0.94234%0.34SS*.SBendtrans54.8-0.6162.700000119.8G255G255-A257 PolarHBondContact O-N 3.26Å
258V53.6Low75.3Confident87 Ų8752 Ų5253%0.52733%0.332SS..  trans-92.8155.9178.2179.90000110.9G256 L262G256-V258 PolarHBondContact O-N 2.81Å; V258-L262 HydrophobicContact CG1-CD1 3.78Å
259G55.2Low75.5Confident49 Ų4951.4 Ų51.451%0.50533%0.333SS..  trans-69.4179.7178.800000114.2N261G259-N261 PolarHBondContact O-N 3.48Å
260P59.8Low75.6Confident94 Ų9451.5 Ų51.561%0.6133%0.334SS*.SBendtrans-65.4-20.6-173.726.6-35.5000114.7
261N71Confident75.8Confident84 Ų8453.1 Ų53.145%0.44935%0.348SS..SBendtrans-115.3128.9176.1-57.874.1000109G259 S331G259-N261 PolarHBondContact O-N 3.48Å; N261-S331 CarbonylContact C-O 3.58Å; N261-S331 WeakPolarHBondContact CA-O 3.45Å
262L77.9Confident76Confident18 Ų1861.4 Ų61.49%0.09439%0.386CS..EExtended strand (participates in β ladder)trans-99.8142.8175.3-17071.1000110C237 P252 V258 S331 L338C237-L262 HydrophobicContact CB-CD1 4.5Å; C237-L262 VanDerWaalsContact SG-CD1 3.56Å; P252-L262 HydrophobicContact CG-CD1 4.45Å; V258-L262 HydrophobicContact CG1-CD1 3.78Å; L262-S331 PolarHBondContact N-O 2.79Å; L262-S331 PolarHBondContact O-N 2.03Å; L262-S331 VanDerWaalsContact O-N 3.14Å; L262-L338 HydrophobicContact CD2-CD2 3.45Å; L262-L338 VanDerWaalsContact CD2-CD2 3.45Å
263T86.3Confident76.2Confident66 Ų6662.7 Ų62.741%0.40540%0.403SS..EExtended strand (participates in β ladder)trans-14798173.5-64.80000108.7L329 L330T263-L329 CarbonylContact C-O 3.58Å; T263-L329 WeakPolarHBondContact CA-O 3.45Å; T263-L330 HydrophobicContact CG2-CD2 3.74Å
264C88.6Confident77.3Confident0 Ų060.6 Ų60.60%039%0.39CS..EExtended strand (participates in β ladder)trans-104.9137.2179.8-52.40000110.2C237 W266 E328 L329C237-C264 WeakPolarHBondContact CA-SG 3.36Å; C237-C264 HydrophobicContact CB-CB 4.08Å; C237-C264 WeakPolarHBondContact CB-SG 3.41Å; C237-C264 WeakPolarHBondContact SG-CA 3.36Å; C237-C264 WeakPolarHBondContact SG-CB 3.3Å; C237-C264 CovalentContact SG-SG 2.04Å; C237-C264 PolarHBondContact SG-SG 2.79Å; C264-W266 HydrophobicContact CB-CD2 4.47Å; C264-W266 HydrophobicContact CB-CE3 4.11Å; C264-W266 HydrophobicContact CB-CH2 3.19Å; C264-W266 HydrophobicContact CB-CZ2 3.57Å; C264-W266 HydrophobicContact CB-CZ3 3.48Å; C264-W266 VanDerWaalsContact CB-CZ3 3.48Å; C264-E328 WeakPolarHBondContact O-CA 3.4Å; C264-L329 HydrophobicContact CB-CB 4.45Å; C264-L329 PolarHBondContact N-O 2.84Å; C264-L329 PolarHBondContact O-N 2.8Å
265R92.4Very high79.1Confident126 Ų12660.8 Ų60.848%0.47538%0.382SS..EExtended strand (participates in β ladder)trans-136.3108.6-175.1-71.7175.7170124.38.1110.1G238 G239 Y326 V327 E328G238-R265 CarbonylContact C-O 3.59Å; G238-R265 WeakPolarHBondContact CA-O 3.15Å; G239-R265 PolarHBondContact N-O 3.3Å; R265-Y326 VanDerWaalsContact CD-OH 3.31Å; R265-Y326 WeakPolarHBondContact CD-OH 3.12Å; R265-Y326 PolarHBondContact NE-OH 3.02Å; R265-V327 CarbonylContact C-O 3.55Å; R265-V327 WeakPolarHBondContact CA-O 3.39Å; R265-E328 HydrophobicContact CG-CG 4.19Å; R265-E328 IonicContact CZ-OE1 3.73Å; R265-E328 IonicContact NE-OE1 3.4Å; R265-E328 PolarHBondContact NE-OE1 3.05Å; R265-E328 IonicContact NH2-OE1 2.66Å; R265-E328 PolarHBondContact NH2-OE1 3.48Å
266W94.1Very high81Confident6 Ų657 Ų572%0.02334%0.343CS..EExtended strand (participates in β ladder)trans-109.6135.6179.1-57.4-92.2000110.5S236 G238 G239 I249 C264 V327 L329 L340S236-W266 PolarHBondContact O-NE1 3.17Å; G238-W266 VanDerWaalsContact CA-CD1 3.48Å; G238-W266 VanDerWaalsContact N-CE2 3.33Å; G238-W266 VanDerWaalsContact N-NE1 3.13Å; G239-W266 CarbonylContact O-C 3.55Å; G239-W266 WeakPolarHBondContact O-CA 3.02Å; I249-W266 HydrophobicContact CD1-CB 3.74Å; I249-W266 HydrophobicContact CD1-CG 3.93Å; I249-W266 HydrophobicContact CG1-CG 4.2Å; I249-W266 HydrophobicContact CG2-CD2 3.48Å; I249-W266 VanDerWaalsContact CG2-CD2 3.48Å; I249-W266 HydrophobicContact CG2-CE3 3.88Å; I249-W266 HydrophobicContact CG2-CG 3.9Å; I249-W266 HydrophobicContact CG2-CH2 3.97Å; I249-W266 HydrophobicContact CG2-CZ2 3.63Å; I249-W266 HydrophobicContact CG2-CZ3 4.1Å; C264-W266 HydrophobicContact CB-CD2 4.47Å; C264-W266 HydrophobicContact CB-CE3 4.11Å; C264-W266 HydrophobicContact CB-CH2 3.19Å; C264-W266 HydrophobicContact CB-CZ2 3.57Å; C264-W266 HydrophobicContact CB-CZ3 3.48Å; C264-W266 VanDerWaalsContact CB-CZ3 3.48Å; W266-V327 HydrophobicContact CB-CB 4.48Å; W266-V327 HydrophobicContact CE3-CB 4.37Å; W266-V327 HydrophobicContact CE3-CG1 4.1Å; W266-V327 PolarHBondContact N-O 3.21Å; W266-V327 PolarHBondContact O-N 3.26Å; W266-L329 HydrophobicContact CH2-CB 4.39Å; W266-L329 HydrophobicContact CH2-CD2 4.39Å; W266-L329 HydrophobicContact CZ3-CB 3.91Å; W266-L340 HydrophobicContact CH2-CD2 4.49Å; W266-L340 HydrophobicContact CZ3-CD2 4.34Å
267V94.7Very high82.8Confident19 Ų1954.9 Ų54.912%0.11532%0.321CS..EExtended strand (participates in β ladder)trans-115.3120.9171.3-178.30000108.2G239 T240 I241 E269 L325 Y326G239-V267 PolarHBondContact O-N 2.92Å; T240-V267 CarbonylContact C-O 3.55Å; T240-V267 VanDerWaalsContact CA-O 3.32Å; T240-V267 WeakPolarHBondContact CA-O 3.4Å; T240-V267 HydrophobicContact CG2-CB 4.04Å; T240-V267 HydrophobicContact CG2-CG1 4.22Å; I241-V267 PolarHBondContact N-O 2.79Å; V267-E269 HydrophobicContact CG1-CG 4.03Å; V267-L325 WeakPolarHBondContact CA-O 3.48Å; V267-Y326 HydrophobicContact CG2-CD2 3.79Å; V267-Y326 HydrophobicContact CG2-CE2 4.39Å
268I95.1Very high85Confident0 Ų049.5 Ų49.50%028%0.276CS..EExtended strand (participates in β ladder)trans-107.8128.2179.3-44.6173.8000107A244 I249 L276 L278 S324 L325 F344A244-I268 HydrophobicContact CB-CG2 3.53Å; I249-I268 HydrophobicContact CD1-CD1 3.63Å; I249-I268 HydrophobicContact CD1-CG1 3.9Å; I268-L276 HydrophobicContact CB-CD1 3.88Å; I268-L276 HydrophobicContact CG2-CD1 3.7Å; I268-L276 HydrophobicContact CG2-CD2 3.82Å; I268-L276 HydrophobicContact CG2-CG 4.43Å; I268-L278 HydrophobicContact CD1-CD2 3.91Å; I268-S324 CarbonylContact O-C 3.59Å; I268-S324 WeakPolarHBondContact O-CA 3.35Å; I268-S324 WeakPolarHBondContact O-CB 2.99Å; I268-L325 HydrophobicContact CB-CB 4.43Å; I268-L325 PolarHBondContact N-O 2.75Å; I268-L325 PolarHBondContact O-N 3.27Å; I268-F344 HydrophobicContact CD1-CB 4.08Å; I268-F344 HydrophobicContact CD1-CD1 4.14Å; I268-F344 HydrophobicContact CD1-CG 4.1Å; I268-F344 HydrophobicContact CG2-CD2 3.98Å; I268-F344 HydrophobicContact CG2-CE2 4.2Å; I268-F344 HydrophobicContact CG2-CG 4.34Å
269E94.7Very high86.7Confident67 Ų6746.7 Ų46.731%0.31326%0.257SS..EExtended strand (participates in β ladder)trans-129.4111.8179.9-57.5-174.7151.400109.9I241 H242 N243 A244 V267I241-E269 PolarHBondContact O-N 2.93Å; H242-E269 CarbonylContact C-O 3.5Å; H242-E269 IonicContact CE1-OE2 3.72Å; H242-E269 PolarHBondContact CE1-OE2 3.41Å; H242-E269 IonicContact CG-OE2 3.54Å; H242-E269 IonicContact ND1-OE2 2.75Å; H242-E269 PolarHBondContact ND1-OE2 2.91Å; N243-E269 CarbonylContact C-O 3.46Å; N243-E269 WeakPolarHBondContact CA-O 3.28Å; N243-E269 PolarHBondContact N-O 2.83Å; A244-E269 PolarHBondContact N-O 3.31Å; V267-E269 HydrophobicContact CG1-CG 4.03Å
270A94.6Very high88.2Confident6 Ų645.5 Ų45.55%0.0524%0.238CC..EExtended strand (participates in β ladder)trans-75.8170.3171.200000111.5R274 L276 Q323 A346A270-R274 HydrophobicContact CB-CB 4Å; A270-L276 HydrophobicContact CB-CD2 4.06Å; A270-L276 HydrophobicContact CB-CG 4.09Å; A270-Q323 PolarHBondContact N-O 2.78Å; A270-A346 HydrophobicContact CB-CB 3.79Å
271A92.4Very high89.2Confident39 Ų3943 Ų4332%0.32222%0.218SC..PPolyproline II helixtrans-67.5157.8167.800000111.7R274A271-R274 WeakPolarHBondContact O-CB 3.31Å; A271-R274 PolarHBondContact O-N 2.71Å
272E88.5Confident89.6Confident181 Ų18143.6 Ų43.685%0.84621%0.214SC*.THydrogen-bonded Turntrans-57.5136.2178.4-171.5174.6-172.200111.7
273G85.8Confident89.7Confident48 Ų4845.1 Ų45.150%0.49522%0.224SC..THydrogen-bonded Turntrans81.213.8-175.600000115.3
274R91.3Very high89.4Confident78 Ų7844.4 Ų44.429%0.29422%0.222SC..EExtended strand (participates in β ladder)trans-121.2149.1175.9-64.7-171.4172.1-155.9-5.2112.7A270 A271 Q323 A346 F347 E348A270-R274 HydrophobicContact CB-CB 4Å; A271-R274 WeakPolarHBondContact O-CB 3.31Å; A271-R274 PolarHBondContact O-N 2.71Å; R274-Q323 VanDerWaalsContact O-CA 3.29Å; R274-Q323 WeakPolarHBondContact O-CA 3.08Å; R274-A346 PolarHBondContact NH1-O 2.74Å; R274-F347 CarbonylContact C-O 3.55Å; R274-F347 WeakPolarHBondContact CA-O 3.41Å; R274-F347 WeakPolarHBondContact CB-O 3.42Å; R274-E348 HydrophobicContact CG-CG 3.94Å; R274-E348 IonicContact CZ-OE1 3.81Å; R274-E348 IonicContact NE-OE1 3.27Å; R274-E348 IonicContact NH2-OE1 3.58Å; R274-E348 PolarHBondContact NH2-OE1 3Å
275R91.9Very high88.9Confident69 Ų6946.3 Ų46.326%0.2623%0.232SC..EExtended strand (participates in β ladder)trans-104.6162.6168.7-66.3-179-172-171.47109.8S320 A346 F347 E349R275-S320 VanDerWaalsContact CD-O 3.31Å; R275-S320 WeakPolarHBondContact CD-O 3.32Å; R275-S320 WeakPolarHBondContact CG-O 3.43Å; R275-A346 CarbonylContact O-C 3.33Å; R275-A346 VanDerWaalsContact O-CA 3.28Å; R275-A346 WeakPolarHBondContact O-CA 3.42Å; R275-F347 HydrophobicContact CB-CD1 4.46Å; R275-F347 HydrophobicContact CB-CE1 3.89Å; R275-F347 HydrophobicContact CB-CE2 4.46Å; R275-F347 HydrophobicContact CB-CZ 3.89Å; R275-F347 PolarHBondContact N-O 2.66Å; R275-F347 PolarHBondContact O-N 3.32Å; R275-E349 HydrophobicContact CG-CG 4.21Å; R275-E349 IonicContact CZ-OE1 3.23Å; R275-E349 IonicContact NE-OE1 3.09Å; R275-E349 PolarHBondContact NE-OE1 2.82Å; R275-E349 IonicContact NH2-OE1 3.87Å; R275-E349 PolarHBondContact NH2-OE1 2.9Å
276L93.6Very high88.2Confident0 Ų041.7 Ų41.70%022%0.217CC..EExtended strand (participates in β ladder)trans-109.5133.2175.9-70.1162.5000109.7A244 I268 A270 I319 S320 L325 E345 A346A244-L276 HydrophobicContact CB-CD2 4.1Å; I268-L276 HydrophobicContact CB-CD1 3.88Å; I268-L276 HydrophobicContact CG2-CD1 3.7Å; I268-L276 HydrophobicContact CG2-CD2 3.82Å; I268-L276 HydrophobicContact CG2-CG 4.43Å; A270-L276 HydrophobicContact CB-CD2 4.06Å; A270-L276 HydrophobicContact CB-CG 4.09Å; L276-I319 WeakPolarHBondContact O-CA 3.35Å; L276-S320 PolarHBondContact N-OG 2.8Å; L276-S320 PolarHBondContact O-N 2.93Å; L276-S320 PolarHBondContact O-OG 3.36Å; L276-L325 HydrophobicContact CB-CD1 3.58Å; L276-L325 HydrophobicContact CB-CG 4.17Å; L276-L325 HydrophobicContact CD1-CB 4.17Å; L276-L325 HydrophobicContact CD1-CD1 4.08Å; L276-L325 HydrophobicContact CD1-CG 4Å; L276-L325 HydrophobicContact CG-CD1 4.48Å; L276-E345 CarbonylContact C-O 3.47Å; L276-E345 VanDerWaalsContact CA-O 3.32Å; L276-E345 WeakPolarHBondContact CA-O 3.38Å; L276-A346 HydrophobicContact CD2-CB 3.86Å
277H92.3Very high87.3Confident2 Ų250.9 Ų50.91%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-100.2137.9163-179.1-114.1000109.3R316 L318 F344 E345 F347 F353H277-R316 PolarHBondContact NE2-O 2.9Å; H277-L318 CarbonylContact C-O 3.57Å; H277-L318 WeakPolarHBondContact CA-O 3.26Å; H277-L318 PolarHBondContact CD2-O 2.04Å; H277-L318 VanDerWaalsContact CD2-O 3.31Å; H277-F344 VanDerWaalsContact O-CA 3.3Å; H277-F344 WeakPolarHBondContact O-CA 3.29Å; H277-E345 HydrophobicContact CB-CG 4.12Å; H277-E345 PolarHBondContact N-O 3.35Å; H277-E345 PolarHBondContact O-N 3.11Å; H277-F347 HydrophobicContact CB-CD1 4.31Å; H277-F347 HydrophobicContact CB-CE1 3.99Å; H277-F353 HydrophobicContact CB-CB 4.13Å; H277-F353 HydrophobicContact CB-CD1 4.48Å; H277-F353 HydrophobicContact CB-CD2 4.43Å; H277-F353 HydrophobicContact CB-CG 4.11Å; H277-F353 AromaticContact CD2-CD1 3.99Å; H277-F353 AromaticContact CD2-CE1 3.83Å; H277-F353 AromaticContact CD2-CZ 3.85Å; H277-F353 AromaticContact CE1-CD2 3.73Å; H277-F353 AromaticContact CE1-CE2 3.32Å; H277-F353 WeakPolarHBondContact CE1-CE2 3.43Å; H277-F353 AromaticContact CE1-CZ 3.7Å; H277-F353 AromaticContact CG-CD2 3.86Å; H277-F353 AromaticContact CG-CG 3.9Å; H277-F353 AromaticContact ND1-CD2 3.61Å; H277-F353 AromaticContact ND1-CE2 3.72Å; H277-F353 AromaticContact NE2-CE1 3.85Å; H277-F353 AromaticContact NE2-CE2 3.55Å; H277-F353 AromaticContact NE2-CZ 3.4Å; H277-F353 WeakPolarHBondContact NE2-CZ 3.48Å
278L91.9Very high86.5Confident0 Ų057.4 Ų57.40%029%0.294CS..EExtended strand (participates in β ladder)trans-112.6121.7168.7-73.3178.2000109.5I268 V294 G317 L318 L325 V327 R343 F344I268-L278 HydrophobicContact CD1-CD2 3.91Å; L278-V294 HydrophobicContact CD1-CG1 3.75Å; L278-V294 HydrophobicContact CD1-CG2 4.31Å; L278-G317 CarbonylContact O-C 3.54Å; L278-G317 WeakPolarHBondContact O-CA 3.37Å; L278-L318 HydrophobicContact CB-CB 4.39Å; L278-L318 PolarHBondContact N-O 2.85Å; L278-L318 PolarHBondContact O-N 2.04Å; L278-L325 HydrophobicContact CD1-CD1 3.73Å; L278-L325 HydrophobicContact CD2-CD1 4.32Å; L278-L325 HydrophobicContact CG-CD1 3.64Å; L278-V327 HydrophobicContact CD1-CG2 4.1Å; L278-R343 WeakPolarHBondContact CA-O 3.39Å; L278-F344 HydrophobicContact CD2-CB 3.68Å
279H88.9Confident85.7Confident29 Ų2960.2 Ų60.213%0.13431%0.309CS..EExtended strand (participates in β ladder)trans-109128.6173.5-179.289.6000110.1E281 R343 F356H279-E281 PolarHBondContact O-N 2.97Å; H279-R343 HydrophobicContact CB-CB 4.36Å; H279-R343 PolarHBondContact N-O 3.07Å; H279-R343 PolarHBondContact O-N 2.97Å; H279-F356 AromaticContact CD2-CD1 3.67Å; H279-F356 AromaticContact NE2-CD1 3.54Å
280F87Confident85.3Confident24 Ų2457.4 Ų57.411%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-89.796.7-176.4-65-100.2000110.1V283 L292 Y306 V313 P314 L318 L342F280-V283 HydrophobicContact CB-CG2 4.02Å; F280-V283 HydrophobicContact CD1-CG2 3.65Å; F280-V283 HydrophobicContact CG-CG2 4.3Å; F280-L292 HydrophobicContact CE1-CD2 3.97Å; F280-Y306 HydrophobicContact CE1-CE1 4.42Å; F280-Y306 HydrophobicContact CZ-CD1 4.32Å; F280-V313 HydrophobicContact CB-CG1 3.7Å; F280-V313 HydrophobicContact CD1-CG1 3.73Å; F280-V313 HydrophobicContact CD2-CG1 4.19Å; F280-V313 HydrophobicContact CE1-CG1 4.36Å; F280-V313 HydrophobicContact CG-CG1 3.62Å; F280-P314 HydrophobicContact CD2-CG 4.24Å; F280-P314 HydrophobicContact CE2-CG 3.68Å; F280-P314 HydrophobicContact CZ-CG 4.25Å; F280-L318 HydrophobicContact CE2-CD1 3.88Å; F280-L318 HydrophobicContact CE2-CG 3.95Å; F280-L318 HydrophobicContact CZ-CD1 3.66Å; F280-L318 HydrophobicContact CZ-CG 4.24Å; F280-L342 HydrophobicContact CB-CD2 4.33Å; F280-L342 HydrophobicContact CD1-CD2 3.22Å; F280-L342 HydrophobicContact CE1-CD2 3.62Å; F280-L342 HydrophobicContact CG-CD2 3.82Å; F280-L342 HydrophobicContact CZ-CD2 4.45Å
281E81.1Confident85Confident42 Ų4260.5 Ų60.520%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-80.9-37.3-176.7-56.7170.512800112.3R248 H279 S341 R343 F356R248-E281 VanDerWaalsContact CZ-CD 3.41Å; R248-E281 IonicContact CZ-OE1 3.65Å; R248-E281 IonicContact CZ-OE2 3.17Å; R248-E281 IonicContact NE-OE1 2.78Å; R248-E281 IonicContact NE-OE2 3.61Å; R248-E281 PolarHBondContact NE-OE2 2.9Å; R248-E281 IonicContact NH1-OE1 3.7Å; R248-E281 IonicContact NH1-OE2 3.79Å; R248-E281 PolarHBondContact NH1-OE2 2.86Å; R248-E281 VanDerWaalsContact NH2-CD 3.34Å; R248-E281 IonicContact NH2-OE1 3.79Å; R248-E281 PolarHBondContact NH2-OE1 2.84Å; R248-E281 IonicContact NH2-OE2 2.68Å; R248-E281 PolarHBondContact NH2-OE2 2.74Å; H279-E281 PolarHBondContact O-N 2.97Å; E281-S341 PolarHBondContact N-O 2.85Å; E281-S341 PolarHBondContact OE2-OG 3.15Å; E281-R343 HydrophobicContact CG-CB 4Å; E281-F356 HydrophobicContact CG-CE1 4.27Å
282R78.4Confident84.9Confident96 Ų9658.6 Ų58.636%0.36229%0.291SS..EExtended strand (participates in β ladder)trans-147.9126.8177.4-56.8175.766.3113.84.1108.7L339 L340 S341 Q433R282-L339 HydrophobicContact CB-CD2 3.57Å; R282-L339 HydrophobicContact CG-CD2 4.28Å; R282-L339 VanDerWaalsContact NE-CD2 3.27Å; R282-L340 CarbonylContact O-C 3.47Å; R282-L340 WeakPolarHBondContact O-CA 3.41Å; R282-S341 PolarHBondContact N-O 3.02Å; R282-S341 PolarHBondContact O-N 2.87Å; R282-Q433 VanDerWaalsContact CZ-NE2 3.32Å; R282-Q433 VanDerWaalsContact CZ-OE1 3.26Å
283V81.3Confident85.1Confident49 Ų4950.6 Ų50.630%0.29725%0.254SS..EExtended strand (participates in β ladder)trans-134.1125.8171.4-174.30000107.7F280 L285 V313 L339 L340F280-V283 HydrophobicContact CB-CG2 4.02Å; F280-V283 HydrophobicContact CD1-CG2 3.65Å; F280-V283 HydrophobicContact CG-CG2 4.3Å; V283-L285 HydrophobicContact CG1-CD1 3.82Å; V283-L285 HydrophobicContact CG1-CG 3.73Å; V283-V313 HydrophobicContact CB-CG2 4.09Å; V283-V313 HydrophobicContact CG1-CG2 3.88Å; V283-V313 HydrophobicContact CG2-CG1 3.98Å; V283-V313 HydrophobicContact CG2-CG2 4.17Å; V283-L339 CarbonylContact C-O 3.57Å; V283-L339 WeakPolarHBondContact CA-O 3.49Å; V283-L340 HydrophobicContact CG2-CD1 4.22Å
284S78.6Confident85.6Confident51 Ų5148.3 Ų48.336%0.35723%0.23SC..EExtended strand (participates in β ladder)trans-142.6103.5173.4177.60000105.6P337 L338 L339S284-P337 WeakPolarHBondContact CB-O 3.35Å; S284-P337 PolarHBondContact OG-O 3.22Å; S284-L338 WeakPolarHBondContact O-CA 3.36Å; S284-L339 PolarHBondContact N-O 2.94Å; S284-L339 PolarHBondContact O-N 3.35Å
285L78.8Confident85.7Confident40 Ų4046 Ų4621%0.20922%0.222CC..  trans-126.6142.6-178-58176.7000107.7V283 D290 L292 L329 L338V283-L285 HydrophobicContact CG1-CD1 3.82Å; V283-L285 HydrophobicContact CG1-CG 3.73Å; L285-D290 HydrophobicContact CB-CB 4Å; L285-D290 HydrophobicContact CD2-CB 4.22Å; L285-L292 HydrophobicContact CD1-CB 3.79Å; L285-L329 HydrophobicContact CD2-CD1 3.75Å; L285-L338 HydrophobicContact CD2-CD1 3.65Å
286D77.4Confident85.8Confident30 Ų3043.1 Ų43.116%0.1621%0.212CC..  trans-81111.4170.7-168.7-64.9000110.3D288 N289 D290 N336D286-D288 PolarHBondContact O-N 3.22Å; D286-D288 PolarHBondContact OD1-N 3.23Å; D286-N289 HydrophobicContact CB-CB 4.16Å; D286-N289 PolarHBondContact O-N 2.74Å; D286-N289 PolarHBondContact OD1-N 2.71Å; D286-N289 PolarHBondContact OD1-ND2 2.91Å; D286-D290 HydrophobicContact CB-CB 4.35Å; D286-D290 WeakPolarHBondContact CB-OD2 3.34Å; D286-D290 PolarHBondContact N-OD2 2.96Å; D286-D290 PolarHBondContact O-N 3.07Å; D286-N336 PolarHBondContact OD2-ND2 2.94Å
287E76.1Confident85.7Confident198 Ų19843.7 Ų43.793%0.92522%0.218SC*.THydrogen-bonded Turntrans-55.5-25-173.5-64.7175.7-174.700114.6
288D78.1Confident85.6Confident156 Ų15645 Ų4583%0.83423%0.232SC*.THydrogen-bonded Turntrans-94.6-16.2179.1-83.6-44.4000113.2D286D286-D288 PolarHBondContact O-N 3.22Å; D286-D288 PolarHBondContact OD1-N 3.23Å
289N78.1Confident85.4Confident59 Ų5947.1 Ų47.132%0.31625%0.247SC..THydrogen-bonded Turntrans-135-14.8-164.8-61.5-91.1000115.9D286 E332 T333D286-N289 HydrophobicContact CB-CB 4.16Å; D286-N289 PolarHBondContact O-N 2.74Å; D286-N289 PolarHBondContact OD1-N 2.71Å; D286-N289 PolarHBondContact OD1-ND2 2.91Å; N289-E332 PolarHBondContact O-N 2.94Å; N289-T333 HydrophobicContact CB-CG2 4.46Å
290D85.3Confident85.4Confident9 Ų949.4 Ų49.45%0.04826%0.264CS..EExtended strand (participates in β ladder)trans-123142.1-176.4-61-25.1000111.4L285 D286 L330 S331 L338L285-D290 HydrophobicContact CB-CB 4Å; L285-D290 HydrophobicContact CD2-CB 4.22Å; D286-D290 HydrophobicContact CB-CB 4.35Å; D286-D290 WeakPolarHBondContact CB-OD2 3.34Å; D286-D290 PolarHBondContact N-OD2 2.96Å; D286-D290 PolarHBondContact O-N 3.07Å; D290-L330 CarbonylContact C-O 3.59Å; D290-L330 WeakPolarHBondContact CA-O 3.42Å; D290-S331 VanDerWaalsContact OD1-CA 3.24Å; D290-S331 WeakPolarHBondContact OD1-CA 3.41Å; D290-S331 WeakPolarHBondContact OD1-CB 3.28Å; D290-S331 PolarHBondContact OD1-OG 3.43Å; D290-L338 HydrophobicContact CB-CD1 4.13Å; D290-L338 VanDerWaalsContact OD2-CD1 3.25Å; D290-L338 WeakPolarHBondContact OD2-CD1 3.48Å
291R88.8Confident85.6Confident70 Ų7056 Ų5626%0.26430%0.3SS..EExtended strand (participates in β ladder)trans-140.8130.3179.7179.9174.6-174.1163.6-4.2113M293 D307 S308 D309 L329 L330R291-M293 HydrophobicContact CG-CE 4.19Å; R291-M293 HydrophobicContact CG-CG 4.23Å; R291-D307 IonicContact CZ-OD1 2.74Å; R291-D307 VanDerWaalsContact CZ-OD1 3.23Å; R291-D307 IonicContact CZ-OD2 3.87Å; R291-D307 IonicContact NE-OD1 3.61Å; R291-D307 PolarHBondContact NE-OD1 2.98Å; R291-D307 IonicContact NE-OD2 3.39Å; R291-D307 IonicContact NH2-OD1 3.79Å; R291-D307 PolarHBondContact NH2-OD1 2.77Å; R291-D307 IonicContact NH2-OD2 2.64Å; R291-D307 PolarHBondContact NH2-OD2 2.9Å; R291-S308 WeakPolarHBondContact CA-OG 3.37Å; R291-D309 WeakPolarHBondContact CD-OD1 3.49Å; R291-D309 WeakPolarHBondContact CD-OD2 3.44Å; R291-D309 WeakPolarHBondContact CG-OD1 3.24Å; R291-D309 IonicContact CZ-OD1 2.76Å; R291-D309 IonicContact CZ-OD2 2.71Å; R291-D309 IonicContact NE-OD1 3.29Å; R291-D309 PolarHBondContact NE-OD1 3.4Å; R291-D309 IonicContact NE-OD2 2.7Å; R291-D309 PolarHBondContact NE-OD2 2.89Å; R291-D309 IonicContact NH1-OD2 3.06Å; R291-D309 PolarHBondContact NH1-OD2 2.88Å; R291-D309 IonicContact NH2-OD2 3.67Å; R291-L329 WeakPolarHBondContact O-CA 3.49Å; R291-L330 HydrophobicContact CB-CB 4.44Å; R291-L330 PolarHBondContact N-O 2.81Å; R291-L330 PolarHBondContact O-N 3.12Å
292L90.9Very high86.2Confident0 Ų055 Ų550%030%0.297CS..EExtended strand (participates in β ladder)trans-113.3121.2174.117960.9000110.5F280 L285 Y306 S308 V327 L329 L340F280-L292 HydrophobicContact CE1-CD2 3.97Å; L285-L292 HydrophobicContact CD1-CB 3.79Å; L292-Y306 HydrophobicContact CD2-CE1 4.28Å; L292-Y306 HydrophobicContact CG-CE1 4.34Å; L292-S308 PolarHBondContact N-OG 2.83Å; L292-S308 PolarHBondContact O-N 2.93Å; L292-V327 HydrophobicContact CD1-CG1 3.86Å; L292-L329 HydrophobicContact CB-CD1 4.21Å; L292-L329 HydrophobicContact CD1-CB 4.39Å; L292-L329 HydrophobicContact CD1-CD1 4.33Å; L292-L340 HydrophobicContact CD1-CD2 3.91Å; L292-L340 HydrophobicContact CD2-CD1 3.67Å; L292-L340 HydrophobicContact CD2-CD2 4.36Å
293M92.7Very high86.9Confident13 Ų1354.7 Ų54.76%0.06431%0.308CS..EExtended strand (participates in β ladder)trans-118.1135.4175.4-71.9168.7-77.400110.6R291 R295 D307 E328 L330R291-M293 HydrophobicContact CG-CE 4.19Å; R291-M293 HydrophobicContact CG-CG 4.23Å; M293-R295 PolarHBondContact SD-NH2 3.46Å; M293-D307 VanDerWaalsContact CG-OD1 3.24Å; M293-D307 WeakPolarHBondContact CG-OD1 3.47Å; M293-E328 HydrophobicContact CE-CG 4.12Å; M293-E328 PolarHBondContact N-O 3.34Å; M293-E328 PolarHBondContact O-N 2.85Å; M293-L330 HydrophobicContact CE-CD1 3.75Å; M293-L330 HydrophobicContact CE-CG 4.28Å
294V94.8Very high87.4Confident0 Ų055.8 Ų55.80%031%0.314CS..EExtended strand (participates in β ladder)trans-122133.8172.7-175.80000109.9L278 I305 Y306 L318 L325 V327L278-V294 HydrophobicContact CD1-CG1 3.75Å; L278-V294 HydrophobicContact CD1-CG2 4.31Å; V294-I305 HydrophobicContact CB-CG1 4.21Å; V294-I305 HydrophobicContact CG1-CD1 3.94Å; V294-I305 HydrophobicContact CG1-CG1 3.87Å; V294-I305 PolarHBondContact O-N 2.92Å; V294-Y306 HydrophobicContact CG2-CD1 4.24Å; V294-Y306 PolarHBondContact N-O 2.86Å; V294-Y306 PolarHBondContact O-N 3.34Å; V294-L318 HydrophobicContact CB-CD1 3.94Å; V294-L318 HydrophobicContact CG1-CD1 4.03Å; V294-L318 HydrophobicContact CG2-CD1 3.97Å; V294-L325 HydrophobicContact CG1-CD2 4.08Å; V294-V327 HydrophobicContact CG1-CG2 4.36Å; V294-V327 HydrophobicContact CG2-CG1 4.45Å; V294-V327 HydrophobicContact CG2-CG2 4.4Å
295R94.5Very high88.1Confident29 Ų2955.7 Ų55.711%0.10931%0.309CS..EExtended strand (participates in β ladder)trans-125.7137.2-178.6-64.6176.2-179.597.16.1112M293 G297 S302 P303 V304 L325 Y326 E328M293-R295 PolarHBondContact SD-NH2 3.46Å; R295-G297 PolarHBondContact O-N 2.93Å; R295-S302 WeakPolarHBondContact CD-O 3.4Å; R295-P303 CarbonylContact C-O 3.53Å; R295-P303 WeakPolarHBondContact CA-O 3.32Å; R295-P303 WeakPolarHBondContact CB-O 3.49Å; R295-V304 HydrophobicContact CG-CB 4.48Å; R295-V304 HydrophobicContact CG-CG2 3.92Å; R295-L325 WeakPolarHBondContact O-CA 3.38Å; R295-L325 WeakPolarHBondContact O-CD2 3Å; R295-Y326 HydrophobicContact CB-CD1 4.49Å; R295-Y326 PolarHBondContact N-O 2.82Å; R295-Y326 PolarHBondContact O-N 2.84Å; R295-E328 IonicContact CZ-OE2 3.32Å; R295-E328 IonicContact NH1-OE2 3.73Å; R295-E328 PolarHBondContact NH1-OE2 3.44Å; R295-E328 IonicContact NH2-OE2 3.17Å
296S93.7Very high88.8Confident9 Ų954.2 Ų54.26%0.06330%0.301CS..EExtended strand (participates in β ladder)trans-77.8105.5175.5-171.90000109.9S302 P303 D321S296-S302 WeakPolarHBondContact O-CB 3.43Å; S296-P303 PolarHBondContact N-O 2.9Å; S296-D321 WeakPolarHBondContact CB-OD2 3.08Å; S296-D321 PolarHBondContact OG-N 2.86Å; S296-D321 VanDerWaalsContact OG-N 3.12Å; S296-D321 PolarHBondContact OG-OD2 2.96Å
297G90.9Very high89.5Confident11 Ų1153.8 Ų53.811%0.11330%0.299CS..SBendtrans108138.3-171.700000113.5R295 S299 S302 S324 Y326R295-G297 PolarHBondContact O-N 2.93Å; G297-S299 PolarHBondContact O-N 2.86Å; G297-S302 VanDerWaalsContact C-OG 3.31Å; G297-S302 WeakPolarHBondContact O-CB 3.45Å; G297-S302 PolarHBondContact O-OG 3.1Å; G297-S324 VanDerWaalsContact CA-O 3.3Å; G297-S324 WeakPolarHBondContact CA-O 3.03Å; G297-S324 WeakPolarHBondContact CA-OG 3.38Å; G297-S324 PolarHBondContact N-O 2.87Å; G297-Y326 WeakPolarHBondContact O-CB 3.4Å
298G89.4Confident90.1Very high30 Ų3045.9 Ų45.931%0.30927%0.265SS..SBendtrans-68.832.9-171.900000118.3S324G298-S324 PolarHBondContact N-OG 2.85Å
299S89.2Confident90.5Very high45 Ų4542.3 Ų42.332%0.31525%0.246SC..SBendtrans-134.5154.5178.392.90000112.4G297 L301 S302G297-S299 PolarHBondContact O-N 2.86Å; S299-L301 PolarHBondContact O-N 2.87Å; S299-L301 PolarHBondContact OG-N 3Å; S299-S302 PolarHBondContact N-OG 2.72Å; S299-S302 PolarHBondContact O-N 3.33Å; S299-S302 PolarHBondContact O-OG 2.77Å; S299-S302 PolarHBondContact OG-N 3.45Å; S299-S302 PolarHBondContact OG-OG 2.87Å
300P89.1Confident90.9Very high76 Ų7646 Ų4649%0.49426%0.263SS..THydrogen-bonded Turntrans-69.5-8.9173.828.8-35.6000113.9Y326P300-Y326 HydrophobicContact CB-CE1 4.09Å; P300-Y326 HydrophobicContact CB-CE2 4.11Å; P300-Y326 HydrophobicContact CG-CE2 4.45Å
301L90.3Very high90.8Very high163 Ų16350 Ų5085%0.85329%0.285SS*.THydrogen-bonded Turntrans-99.5-1.5178.5-62.7177.3000113S299S299-L301 PolarHBondContact O-N 2.87Å; S299-L301 PolarHBondContact OG-N 3Å
302S93.1Very high90.6Very high20 Ų2054.2 Ų54.214%0.1431%0.312CS..SBendtrans-75.8159.9-179.9-25.50000111.4R295 S296 G297 S299 V304R295-S302 WeakPolarHBondContact CD-O 3.4Å; S296-S302 WeakPolarHBondContact O-CB 3.43Å; G297-S302 VanDerWaalsContact C-OG 3.31Å; G297-S302 WeakPolarHBondContact O-CB 3.45Å; G297-S302 PolarHBondContact O-OG 3.1Å; S299-S302 PolarHBondContact N-OG 2.72Å; S299-S302 PolarHBondContact O-N 3.33Å; S299-S302 PolarHBondContact O-OG 2.77Å; S299-S302 PolarHBondContact OG-N 3.45Å; S299-S302 PolarHBondContact OG-OG 2.87Å; S302-V304 PolarHBondContact O-N 2.93Å
303P93.1Very high90.2Very high91 Ų9157 Ų5759%0.59133%0.33SS*.PPolyproline II helixtrans-53.5133.7179.8-27.235.8000113R295 S296R295-P303 CarbonylContact C-O 3.53Å; R295-P303 WeakPolarHBondContact CA-O 3.32Å; R295-P303 WeakPolarHBondContact CB-O 3.49Å; S296-P303 PolarHBondContact N-O 2.9Å
304V92.3Very high89.7Confident72 Ų7258.1 Ų58.144%0.43634%0.337SS..EExtended strand (participates in β ladder)trans-73.3132.3170.8179.40000108.7R295 S302 Y306 D307R295-V304 HydrophobicContact CG-CB 4.48Å; R295-V304 HydrophobicContact CG-CG2 3.92Å; S302-V304 PolarHBondContact O-N 2.93Å; V304-Y306 WeakPolarHBondContact CG1-O 3.04Å; V304-D307 HydrophobicContact CG1-CB 4.07Å
305I92.8Very high88.5Confident49 Ų4966.2 Ų66.225%0.25138%0.375SS..EExtended strand (participates in β ladder)trans-116.1-10.2174.960.2171.3000112.8V294 L318 L325V294-I305 HydrophobicContact CB-CG1 4.21Å; V294-I305 HydrophobicContact CG1-CD1 3.94Å; V294-I305 HydrophobicContact CG1-CG1 3.87Å; V294-I305 PolarHBondContact O-N 2.92Å; I305-L318 HydrophobicContact CD1-CB 4.25Å; I305-L318 HydrophobicContact CG1-CD1 4.49Å; I305-L325 HydrophobicContact CD1-CD2 3.81Å
306Y93.7Very high87.4Confident8 Ų870.6 Ų70.63%0.03139%0.392CS..EExtended strand (participates in β ladder)trans-159.7142.4171.5176-103.8000110.9F280 L292 V294 V304 D311 D312 P314 L318F280-Y306 HydrophobicContact CE1-CE1 4.42Å; F280-Y306 HydrophobicContact CZ-CD1 4.32Å; L292-Y306 HydrophobicContact CD2-CE1 4.28Å; L292-Y306 HydrophobicContact CG-CE1 4.34Å; V294-Y306 HydrophobicContact CG2-CD1 4.24Å; V294-Y306 PolarHBondContact N-O 2.86Å; V294-Y306 PolarHBondContact O-N 3.34Å; V304-Y306 WeakPolarHBondContact CG1-O 3.04Å; Y306-D311 HydrophobicContact CD2-CB 4.04Å; Y306-D311 HydrophobicContact CE2-CB 3.84Å; Y306-D311 WeakPolarHBondContact CE2-O 3.24Å; Y306-D311 PolarHBondContact OH-O 2.92Å; Y306-D312 WeakPolarHBondContact CE2-O 3.44Å; Y306-P314 HydrophobicContact CD2-CG 4.41Å; Y306-L318 VanDerWaalsContact CB-CD1 3.4Å; Y306-L318 HydrophobicContact CD1-CD1 4.48Å; Y306-L318 HydrophobicContact CG-CD1 4.01Å
307D92.1Very high86.9Confident21 Ų2170.7 Ų70.711%0.11239%0.394CS..EExtended strand (participates in β ladder)trans-150.1112.8-178.8-159.4-6.1000109.5R291 M293 V304 D309 M310 D311R291-D307 IonicContact CZ-OD1 2.74Å; R291-D307 VanDerWaalsContact CZ-OD1 3.23Å; R291-D307 IonicContact CZ-OD2 3.87Å; R291-D307 IonicContact NE-OD1 3.61Å; R291-D307 PolarHBondContact NE-OD1 2.98Å; R291-D307 IonicContact NE-OD2 3.39Å; R291-D307 IonicContact NH2-OD1 3.79Å; R291-D307 PolarHBondContact NH2-OD1 2.77Å; R291-D307 IonicContact NH2-OD2 2.64Å; R291-D307 PolarHBondContact NH2-OD2 2.9Å; M293-D307 VanDerWaalsContact CG-OD1 3.24Å; M293-D307 WeakPolarHBondContact CG-OD1 3.47Å; V304-D307 HydrophobicContact CG1-CB 4.07Å; D307-D309 PolarHBondContact O-N 2.93Å; D307-D309 VanDerWaalsContact O-N 3.11Å; D307-M310 HydrophobicContact CB-CB 4.43Å; D307-M310 HydrophobicContact CB-CG 4.25Å; D307-M310 PolarHBondContact O-N 2.68Å; D307-D311 PolarHBondContact O-N 3.36Å
308S89.4Confident86.9Confident32 Ų3271.1 Ų71.122%0.22439%0.394CS..THydrogen-bonded Turntrans-64.2-18.2-172.461.10000114.8R291 L292 M310R291-S308 WeakPolarHBondContact CA-OG 3.37Å; L292-S308 PolarHBondContact N-OG 2.83Å; L292-S308 PolarHBondContact O-N 2.93Å; S308-M310 PolarHBondContact O-N 2.9Å
309D87.2Confident86.9Confident82 Ų8273.3 Ų73.344%0.43940%0.397SS..THydrogen-bonded Turntrans-70.6-13.2172.9-66.324.7000112.7R291 D307R291-D309 WeakPolarHBondContact CD-OD1 3.49Å; R291-D309 WeakPolarHBondContact CD-OD2 3.44Å; R291-D309 WeakPolarHBondContact CG-OD1 3.24Å; R291-D309 IonicContact CZ-OD1 2.76Å; R291-D309 IonicContact CZ-OD2 2.71Å; R291-D309 IonicContact NE-OD1 3.29Å; R291-D309 PolarHBondContact NE-OD1 3.4Å; R291-D309 IonicContact NE-OD2 2.7Å; R291-D309 PolarHBondContact NE-OD2 2.89Å; R291-D309 IonicContact NH1-OD2 3.06Å; R291-D309 PolarHBondContact NH1-OD2 2.88Å; R291-D309 IonicContact NH2-OD2 3.67Å; D307-D309 PolarHBondContact O-N 2.93Å; D307-D309 VanDerWaalsContact O-N 3.11Å
310M85.6Confident87Confident137 Ų13771.2 Ų71.268%0.67538%0.383SS*.THydrogen-bonded Turntrans-126.3-37-167.6-56.6-72131.600112.9D307 S308D307-M310 HydrophobicContact CB-CB 4.43Å; D307-M310 HydrophobicContact CB-CG 4.25Å; D307-M310 PolarHBondContact O-N 2.68Å; S308-M310 PolarHBondContact O-N 2.9Å
311D84.1Confident86.9Confident93 Ų9373.1 Ų73.150%0.49739%0.389SS..SBendtrans-130.3135.5-169.6-60.3-68.7000112.2Y306 D307Y306-D311 HydrophobicContact CD2-CB 4.04Å; Y306-D311 HydrophobicContact CE2-CB 3.84Å; Y306-D311 WeakPolarHBondContact CE2-O 3.24Å; Y306-D311 PolarHBondContact OH-O 2.92Å; D307-D311 PolarHBondContact O-N 3.36Å
312D83.1Confident86.4Confident157 Ų15767.2 Ų67.284%0.8436%0.363SS*.PPolyproline II helixtrans-61.1152.4169.3-68.6-59.4000111.6Y306 P314Y306-D312 WeakPolarHBondContact CE2-O 3.44Å; D312-P314 WeakPolarHBondContact O-CD 3.44Å
313V82.8Confident86.3Confident60 Ų6070.6 Ų70.636%0.36438%0.377SS..PPolyproline II helixtrans-58.7120.4-179.2-179.70000110.6F280 V283 E315F280-V313 HydrophobicContact CB-CG1 3.7Å; F280-V313 HydrophobicContact CD1-CG1 3.73Å; F280-V313 HydrophobicContact CD2-CG1 4.19Å; F280-V313 HydrophobicContact CE1-CG1 4.36Å; F280-V313 HydrophobicContact CG-CG1 3.62Å; V283-V313 HydrophobicContact CB-CG2 4.09Å; V283-V313 HydrophobicContact CG1-CG2 3.88Å; V283-V313 HydrophobicContact CG2-CG1 3.98Å; V283-V313 HydrophobicContact CG2-CG2 4.17Å; V313-E315 PolarHBondContact O-N 2.92Å
314P82.7Confident86.4Confident35 Ų3567 Ų6723%0.22735%0.354CS..PPolyproline II helixtrans-76.6121.4-170.328.5-34.6000112.3F280 Y306 D312 R316 G317 L318F280-P314 HydrophobicContact CD2-CG 4.24Å; F280-P314 HydrophobicContact CE2-CG 3.68Å; F280-P314 HydrophobicContact CZ-CG 4.25Å; Y306-P314 HydrophobicContact CD2-CG 4.41Å; D312-P314 WeakPolarHBondContact O-CD 3.44Å; P314-R316 VanDerWaalsContact C-N 3.26Å; P314-R316 PolarHBondContact O-N 3.26Å; P314-G317 WeakPolarHBondContact O-CA 3.25Å; P314-G317 PolarHBondContact O-N 2.93Å; P314-L318 HydrophobicContact CG-CD2 4.02Å; P314-L318 HydrophobicContact CG-CG 3.98Å
315E68.5Low86.5Confident170 Ų17063.6 Ų63.679%0.79433%0.334SS*.THydrogen-bonded Turntrans-56.6-36.3-179.4-60.5179.1146.600113.2V313 G317V313-E315 PolarHBondContact O-N 2.92Å; E315-G317 PolarHBondContact O-N 3.01Å
316R71.4Confident86.6Confident122 Ų12262 Ų6246%0.4633%0.325SS..THydrogen-bonded Turntrans-77.1-3177.1-69.5179.2-178.9-131.6-9.3113.8H277 P314 D406 T407H277-R316 PolarHBondContact NE2-O 2.9Å; P314-R316 VanDerWaalsContact C-N 3.26Å; P314-R316 PolarHBondContact O-N 3.26Å; R316-D406 IonicContact NH2-OD1 2.72Å; R316-T407 HydrophobicContact CG-CG2 3.63Å
317G84.6Confident86.6Confident10 Ų1061.7 Ų61.710%0.10332%0.323CS..  trans69.7-159.5-166.600000113L278 P314 E315L278-G317 CarbonylContact O-C 3.54Å; L278-G317 WeakPolarHBondContact O-CA 3.37Å; P314-G317 WeakPolarHBondContact O-CA 3.25Å; P314-G317 PolarHBondContact O-N 2.93Å; E315-G317 PolarHBondContact O-N 3.01Å
318L90Very high86.6Confident21 Ų2161.4 Ų61.411%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-127.7146.6177.8-66.2165000110.7H277 L278 F280 V294 I305 Y306 P314H277-L318 CarbonylContact C-O 3.57Å; H277-L318 WeakPolarHBondContact CA-O 3.26Å; H277-L318 PolarHBondContact CD2-O 2.04Å; H277-L318 VanDerWaalsContact CD2-O 3.31Å; L278-L318 HydrophobicContact CB-CB 4.39Å; L278-L318 PolarHBondContact N-O 2.85Å; L278-L318 PolarHBondContact O-N 2.04Å; F280-L318 HydrophobicContact CE2-CD1 3.88Å; F280-L318 HydrophobicContact CE2-CG 3.95Å; F280-L318 HydrophobicContact CZ-CD1 3.66Å; F280-L318 HydrophobicContact CZ-CG 4.24Å; V294-L318 HydrophobicContact CB-CD1 3.94Å; V294-L318 HydrophobicContact CG1-CD1 4.03Å; V294-L318 HydrophobicContact CG2-CD1 3.97Å; I305-L318 HydrophobicContact CD1-CB 4.25Å; I305-L318 HydrophobicContact CG1-CD1 4.49Å; Y306-L318 VanDerWaalsContact CB-CD1 3.4Å; Y306-L318 HydrophobicContact CD1-CD1 4.48Å; Y306-L318 HydrophobicContact CG-CD1 4.01Å; P314-L318 HydrophobicContact CG-CD2 4.02Å; P314-L318 HydrophobicContact CG-CG 3.98Å
319I90.3Very high86.7Confident75 Ų7559.9 Ų59.939%0.38531%0.311SS..EExtended strand (participates in β ladder)trans-115.2141.2173-61.7172000108.4L276 F347 F353L276-I319 WeakPolarHBondContact O-CA 3.35Å; I319-F347 HydrophobicContact CD1-CZ 4.49Å; I319-F347 HydrophobicContact CG2-CE1 4.32Å; I319-F347 HydrophobicContact CG2-CZ 3.88Å; I319-F353 HydrophobicContact CD1-CD1 4.2Å; I319-F353 HydrophobicContact CD1-CE1 4.08Å
320S91.8Very high86.7Confident1 Ų158.6 Ų58.61%0.00730%0.303CS..  trans-87.7136.9173.868.90000112.6R275 L276 A322R275-S320 VanDerWaalsContact CD-O 3.31Å; R275-S320 WeakPolarHBondContact CD-O 3.32Å; R275-S320 WeakPolarHBondContact CG-O 3.43Å; L276-S320 PolarHBondContact N-OG 2.8Å; L276-S320 PolarHBondContact O-N 2.93Å; L276-S320 PolarHBondContact O-OG 3.36Å; S320-A322 VanDerWaalsContact CB-O 3.26Å; S320-A322 WeakPolarHBondContact CB-O 3.46Å; S320-A322 PolarHBondContact O-N 2.86Å; S320-A322 PolarHBondContact OG-O 2.87Å
321D86.3Confident86.6Confident116 Ų11652.3 Ų52.362%0.6227%0.273SS*.SBendtrans-73.5-13.9170.5-35.6-87.3000112.4S296S296-D321 WeakPolarHBondContact CB-OD2 3.08Å; S296-D321 PolarHBondContact OG-N 2.86Å; S296-D321 VanDerWaalsContact OG-N 3.12Å; S296-D321 PolarHBondContact OG-OD2 2.96Å
322A80.6Confident86.1Confident39 Ų3954.1 Ų54.132%0.32228%0.279SS..SBendtrans-127166.3-17600000111.3S320 S324S320-A322 VanDerWaalsContact CB-O 3.26Å; S320-A322 WeakPolarHBondContact CB-O 3.46Å; S320-A322 PolarHBondContact O-N 2.86Å; S320-A322 PolarHBondContact OG-O 2.87Å; A322-S324 PolarHBondContact O-N 3.05Å
323Q90.9Very high85.3Confident91 Ų9148.7 Ų48.743%0.42525%0.251SS..SBendtrans-66.37.4175.973.8-175.53000115.3A270 R274A270-Q323 PolarHBondContact N-O 2.78Å; R274-Q323 VanDerWaalsContact O-CA 3.29Å; R274-Q323 WeakPolarHBondContact O-CA 3.08Å
324S93.7Very high84Confident17 Ų1749.5 Ų49.512%0.11926%0.257CS..EExtended strand (participates in β ladder)trans-148.3155.4-17652.50000113.1I268 G297 G298 A322I268-S324 CarbonylContact O-C 3.59Å; I268-S324 WeakPolarHBondContact O-CA 3.35Å; I268-S324 WeakPolarHBondContact O-CB 2.99Å; G297-S324 VanDerWaalsContact CA-O 3.3Å; G297-S324 WeakPolarHBondContact CA-O 3.03Å; G297-S324 WeakPolarHBondContact CA-OG 3.38Å; G297-S324 PolarHBondContact N-O 2.87Å; G298-S324 PolarHBondContact N-OG 2.85Å; A322-S324 PolarHBondContact O-N 3.05Å
325L95.1Very high82.5Confident0 Ų051.8 Ų51.80%028%0.279CS..EExtended strand (participates in β ladder)trans-132.4142.5176.8-75.7171.5000110.1V267 I268 L276 L278 V294 R295 I305V267-L325 WeakPolarHBondContact CA-O 3.48Å; I268-L325 HydrophobicContact CB-CB 4.43Å; I268-L325 PolarHBondContact N-O 2.75Å; I268-L325 PolarHBondContact O-N 3.27Å; L276-L325 HydrophobicContact CB-CD1 3.58Å; L276-L325 HydrophobicContact CB-CG 4.17Å; L276-L325 HydrophobicContact CD1-CB 4.17Å; L276-L325 HydrophobicContact CD1-CD1 4.08Å; L276-L325 HydrophobicContact CD1-CG 4Å; L276-L325 HydrophobicContact CG-CD1 4.48Å; L278-L325 HydrophobicContact CD1-CD1 3.73Å; L278-L325 HydrophobicContact CD2-CD1 4.32Å; L278-L325 HydrophobicContact CG-CD1 3.64Å; V294-L325 HydrophobicContact CG1-CD2 4.08Å; R295-L325 WeakPolarHBondContact O-CA 3.38Å; R295-L325 WeakPolarHBondContact O-CD2 3Å; I305-L325 HydrophobicContact CD1-CD2 3.81Å
326Y94.7Very high81.9Confident16 Ų1647.8 Ų47.86%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-114.7117170.5175.8-78.4000108.3R265 V267 R295 G297 P300 E328R265-Y326 VanDerWaalsContact CD-OH 3.31Å; R265-Y326 WeakPolarHBondContact CD-OH 3.12Å; R265-Y326 PolarHBondContact NE-OH 3.02Å; V267-Y326 HydrophobicContact CG2-CD2 3.79Å; V267-Y326 HydrophobicContact CG2-CE2 4.39Å; R295-Y326 HydrophobicContact CB-CD1 4.49Å; R295-Y326 PolarHBondContact N-O 2.82Å; R295-Y326 PolarHBondContact O-N 2.84Å; G297-Y326 WeakPolarHBondContact O-CB 3.4Å; P300-Y326 HydrophobicContact CB-CE1 4.09Å; P300-Y326 HydrophobicContact CB-CE2 4.11Å; P300-Y326 HydrophobicContact CG-CE2 4.45Å; Y326-E328 HydrophobicContact CD1-CB 4.4Å; Y326-E328 HydrophobicContact CE1-CB 3.69Å; Y326-E328 HydrophobicContact CE1-CG 4.41Å; Y326-E328 PolarHBondContact OH-OE1 2.89Å
327V94.3Very high81.2Confident0 Ų045.9 Ų45.90%027%0.267CS..EExtended strand (participates in β ladder)trans-112.2128.9-179.2-177.70000108.8R265 W266 L278 L292 V294 L342R265-V327 CarbonylContact C-O 3.55Å; R265-V327 WeakPolarHBondContact CA-O 3.39Å; W266-V327 HydrophobicContact CB-CB 4.48Å; W266-V327 HydrophobicContact CE3-CB 4.37Å; W266-V327 HydrophobicContact CE3-CG1 4.1Å; W266-V327 PolarHBondContact N-O 3.21Å; W266-V327 PolarHBondContact O-N 3.26Å; L278-V327 HydrophobicContact CD1-CG2 4.1Å; L292-V327 HydrophobicContact CD1-CG1 3.86Å; V294-V327 HydrophobicContact CG1-CG2 4.36Å; V294-V327 HydrophobicContact CG2-CG1 4.45Å; V294-V327 HydrophobicContact CG2-CG2 4.4Å; V327-L342 HydrophobicContact CG1-CD1 3.99Å
328E92.8Very high80.3Confident16 Ų1645.9 Ų45.98%0.07526%0.264CS..EExtended strand (participates in β ladder)trans-132.2120.7-177.1178.7166-129.300110.6C264 R265 M293 R295 Y326 L330C264-E328 WeakPolarHBondContact O-CA 3.4Å; R265-E328 HydrophobicContact CG-CG 4.19Å; R265-E328 IonicContact CZ-OE1 3.73Å; R265-E328 IonicContact NE-OE1 3.4Å; R265-E328 PolarHBondContact NE-OE1 3.05Å; R265-E328 IonicContact NH2-OE1 2.66Å; R265-E328 PolarHBondContact NH2-OE1 3.48Å; M293-E328 HydrophobicContact CE-CG 4.12Å; M293-E328 PolarHBondContact N-O 3.34Å; M293-E328 PolarHBondContact O-N 2.85Å; R295-E328 IonicContact CZ-OE2 3.32Å; R295-E328 IonicContact NH1-OE2 3.73Å; R295-E328 PolarHBondContact NH1-OE2 3.44Å; R295-E328 IonicContact NH2-OE2 3.17Å; Y326-E328 HydrophobicContact CD1-CB 4.4Å; Y326-E328 HydrophobicContact CE1-CB 3.69Å; Y326-E328 HydrophobicContact CE1-CG 4.41Å; Y326-E328 PolarHBondContact OH-OE1 2.89Å; E328-L330 HydrophobicContact CG-CD2 4.42Å
329L90.1Very high79.6Confident0 Ų047.7 Ų47.70%027%0.274CS..EExtended strand (participates in β ladder)trans-112.8125.1176.5-179.668.2000109.3T263 C264 W266 L285 R291 L292 L338 L340T263-L329 CarbonylContact C-O 3.58Å; T263-L329 WeakPolarHBondContact CA-O 3.45Å; C264-L329 HydrophobicContact CB-CB 4.45Å; C264-L329 PolarHBondContact N-O 2.84Å; C264-L329 PolarHBondContact O-N 2.8Å; W266-L329 HydrophobicContact CH2-CB 4.39Å; W266-L329 HydrophobicContact CH2-CD2 4.39Å; W266-L329 HydrophobicContact CZ3-CB 3.91Å; L285-L329 HydrophobicContact CD2-CD1 3.75Å; R291-L329 WeakPolarHBondContact O-CA 3.49Å; L292-L329 HydrophobicContact CB-CD1 4.21Å; L292-L329 HydrophobicContact CD1-CB 4.39Å; L292-L329 HydrophobicContact CD1-CD1 4.33Å; L329-L338 HydrophobicContact CD1-CD1 4.35Å; L329-L338 HydrophobicContact CD2-CD1 4.42Å; L329-L338 HydrophobicContact CD2-CD2 4.14Å; L329-L340 HydrophobicContact CB-CD2 4.47Å; L329-L340 HydrophobicContact CD1-CD2 4.42Å; L329-L340 HydrophobicContact CD2-CB 4.36Å; L329-L340 HydrophobicContact CD2-CD2 3.94Å
330L87.9Confident79.4Confident54 Ų5444.2 Ų44.228%0.28326%0.256SS..EExtended strand (participates in β ladder)trans-112.9141.7172.4-55.4177000108.5T263 D290 R291 M293 E328T263-L330 HydrophobicContact CG2-CD2 3.74Å; D290-L330 CarbonylContact C-O 3.59Å; D290-L330 WeakPolarHBondContact CA-O 3.42Å; R291-L330 HydrophobicContact CB-CB 4.44Å; R291-L330 PolarHBondContact N-O 2.81Å; R291-L330 PolarHBondContact O-N 3.12Å; M293-L330 HydrophobicContact CE-CD1 3.75Å; M293-L330 HydrophobicContact CE-CG 4.28Å; E328-L330 HydrophobicContact CG-CD2 4.42Å
331S82.6Confident79.2Confident6 Ų644.3 Ų44.34%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-150.8127.3173.1171.60000109.5N261 L262 D290N261-S331 CarbonylContact C-O 3.58Å; N261-S331 WeakPolarHBondContact CA-O 3.45Å; L262-S331 PolarHBondContact N-O 2.79Å; L262-S331 PolarHBondContact O-N 2.03Å; L262-S331 VanDerWaalsContact O-N 3.14Å; D290-S331 VanDerWaalsContact OD1-CA 3.24Å; D290-S331 WeakPolarHBondContact OD1-CA 3.41Å; D290-S331 WeakPolarHBondContact OD1-CB 3.28Å; D290-S331 PolarHBondContact OD1-OG 3.43Å
332E74.9Confident79.3Confident131 Ų13138.8 Ų38.861%0.61223%0.227SC*.SBendtrans-101.8-8.7-175.7-59.7-147.4150.300114.6N289N289-E332 PolarHBondContact O-N 2.94Å
333T65.5Low79.8Confident43 Ų4338.6 Ų38.626%0.26422%0.218SC..  trans-140.9134.3171.385.40000113.8N289 A335N289-T333 HydrophobicContact CB-CG2 4.46Å; T333-A335 PolarHBondContact O-N 2.86Å
334P55.7Low79.9Confident76 Ų7634.6 Ų34.649%0.49420%0.2SC..THydrogen-bonded Turntrans-86.424.5175.637-37.2000112.7P254P254-P334 HydrophobicContact CB-CB 4.14Å
335A52Low79.9Confident83 Ų8334.5 Ų34.569%0.68620%0.197SC*.THydrogen-bonded Turntrans-85.1-29-170.100000113.5T333T333-A335 PolarHBondContact O-N 2.86Å
336N55.3Low79.8Confident87 Ų8735 Ų3547%0.46520%0.201SC..SBendtrans-108157.9173.6-77.2-36.7000110D286 L338D286-N336 PolarHBondContact OD2-ND2 2.94Å; N336-L338 VanDerWaalsContact C-N 3.31Å; N336-L338 PolarHBondContact O-N 3.02Å
337P57.4Low79.6Confident82 Ų8235.2 Ų35.253%0.53220%0.202SC..  trans-74.384.4179.730.9-35000111S284 L339S284-P337 WeakPolarHBondContact CB-O 3.35Å; S284-P337 PolarHBondContact OG-O 3.22Å; P337-L339 PolarHBondContact O-N 2.91Å; P337-L339 VanDerWaalsContact O-N 3.11Å
338L65.7Low79.5Confident9 Ų938.2 Ų38.25%0.04722%0.216CC..  trans-56.4111.1164.6179.378.3000108.7S251 L262 S284 L285 D290 L329 N336S251-L338 PolarHBondContact OG-O 3.32Å; L262-L338 HydrophobicContact CD2-CD2 3.45Å; L262-L338 VanDerWaalsContact CD2-CD2 3.45Å; S284-L338 WeakPolarHBondContact O-CA 3.36Å; L285-L338 HydrophobicContact CD2-CD1 3.65Å; D290-L338 HydrophobicContact CB-CD1 4.13Å; D290-L338 VanDerWaalsContact OD2-CD1 3.25Å; D290-L338 WeakPolarHBondContact OD2-CD1 3.48Å; L329-L338 HydrophobicContact CD1-CD1 4.35Å; L329-L338 HydrophobicContact CD2-CD1 4.42Å; L329-L338 HydrophobicContact CD2-CD2 4.14Å; N336-L338 VanDerWaalsContact C-N 3.31Å; N336-L338 PolarHBondContact O-N 3.02Å
339L74.3Confident79.2Confident59 Ų5942.4 Ų42.431%0.30924%0.236SC..EExtended strand (participates in β ladder)trans-142.2101.8-175-160.9163.7000110.7R282 V283 S284 P337R282-L339 HydrophobicContact CB-CD2 3.57Å; R282-L339 HydrophobicContact CG-CD2 4.28Å; R282-L339 VanDerWaalsContact NE-CD2 3.27Å; V283-L339 CarbonylContact C-O 3.57Å; V283-L339 WeakPolarHBondContact CA-O 3.49Å; S284-L339 PolarHBondContact N-O 2.94Å; S284-L339 PolarHBondContact O-N 3.35Å; P337-L339 PolarHBondContact O-N 2.91Å; P337-L339 VanDerWaalsContact O-N 3.11Å
340L85.5Confident79.2Confident2 Ų245.6 Ų45.61%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-108.5129.1174.5-175.963000109.8V250 S251 W266 R282 V283 L292 L329 L342V250-L340 VanDerWaalsContact CA-O 3.26Å; V250-L340 WeakPolarHBondContact CA-O 3.39Å; S251-L340 PolarHBondContact N-O 3.37Å; S251-L340 VanDerWaalsContact N-O 3.09Å; S251-L340 PolarHBondContact OG-N 3.23Å; W266-L340 HydrophobicContact CH2-CD2 4.49Å; W266-L340 HydrophobicContact CZ3-CD2 4.34Å; R282-L340 CarbonylContact O-C 3.47Å; R282-L340 WeakPolarHBondContact O-CA 3.41Å; V283-L340 HydrophobicContact CG2-CD1 4.22Å; L292-L340 HydrophobicContact CD1-CD2 3.91Å; L292-L340 HydrophobicContact CD2-CD1 3.67Å; L292-L340 HydrophobicContact CD2-CD2 4.36Å; L329-L340 HydrophobicContact CB-CD2 4.47Å; L329-L340 HydrophobicContact CD1-CD2 4.42Å; L329-L340 HydrophobicContact CD2-CB 4.36Å; L329-L340 HydrophobicContact CD2-CD2 3.94Å; L340-L342 HydrophobicContact CD1-CD1 4.16Å; L340-L342 HydrophobicContact CD1-CD2 3.72Å; L340-L342 HydrophobicContact CD1-CG 3.73Å; L340-L342 HydrophobicContact CD2-CD1 4.13Å; L340-L342 HydrophobicContact CD2-CG 4.32Å; L340-L342 HydrophobicContact CG-CD1 4.3Å; L340-L342 HydrophobicContact CG-CD2 4.47Å; L340-L342 HydrophobicContact CG-CG 3.94Å
341S87.1Confident79.4Confident4 Ų444.4 Ų44.43%0.02825%0.245CC..EExtended strand (participates in β ladder)trans-135107.3168.3-168.70000108.5R248 E281 R282R248-S341 WeakPolarHBondContact CD-OG 3.33Å; R248-S341 PolarHBondContact NH1-OG 2.77Å; R248-S341 VanDerWaalsContact NH1-OG 3.12Å; E281-S341 PolarHBondContact N-O 2.85Å; E281-S341 PolarHBondContact OE2-OG 3.15Å; R282-S341 PolarHBondContact N-O 3.02Å; R282-S341 PolarHBondContact O-N 2.87Å
342L90.2Very high79.8Confident0 Ų044.2 Ų44.20%024%0.244CC..EExtended strand (participates in β ladder)trans-112.1116.7178.4-59.5-179.2000109.4R248 I249 F280 V327 L340R248-L342 CarbonylContact C-O 3.59Å; R248-L342 VanDerWaalsContact CA-O 3.24Å; R248-L342 WeakPolarHBondContact CA-O 3.42Å; R248-L342 WeakPolarHBondContact CG-O 3.49Å; I249-L342 HydrophobicContact CB-CB 4.47Å; I249-L342 PolarHBondContact N-O 3.45Å; I249-L342 PolarHBondContact O-N 3.35Å; F280-L342 HydrophobicContact CB-CD2 4.33Å; F280-L342 HydrophobicContact CD1-CD2 3.22Å; F280-L342 HydrophobicContact CE1-CD2 3.62Å; F280-L342 HydrophobicContact CG-CD2 3.82Å; F280-L342 HydrophobicContact CZ-CD2 4.45Å; V327-L342 HydrophobicContact CG1-CD1 3.99Å; L340-L342 HydrophobicContact CD1-CD1 4.16Å; L340-L342 HydrophobicContact CD1-CD2 3.72Å; L340-L342 HydrophobicContact CD1-CG 3.73Å; L340-L342 HydrophobicContact CD2-CD1 4.13Å; L340-L342 HydrophobicContact CD2-CG 4.32Å; L340-L342 HydrophobicContact CG-CD1 4.3Å; L340-L342 HydrophobicContact CG-CD2 4.47Å; L340-L342 HydrophobicContact CG-CG 3.94Å
343R91.1Very high80.6Confident34 Ų3438.7 Ų38.713%0.12822%0.218CC..EExtended strand (participates in β ladder)trans-82.1135.9167.3177.4179.7176.7-78.3-4.7108.3G247 L278 H279 E281 E345G247-R343 WeakPolarHBondContact O-CA 3.4Å; L278-R343 WeakPolarHBondContact CA-O 3.39Å; H279-R343 HydrophobicContact CB-CB 4.36Å; H279-R343 PolarHBondContact N-O 3.07Å; H279-R343 PolarHBondContact O-N 2.97Å; E281-R343 HydrophobicContact CG-CB 4Å; R343-E345 IonicContact CZ-OE2 2.9Å; R343-E345 IonicContact NH1-OE2 3.19Å; R343-E345 PolarHBondContact NH1-OE2 2.68Å; R343-E345 IonicContact NH2-OE2 2.99Å; R343-E345 PolarHBondContact NH2-OE2 2.99Å
344F92.5Very high81.8Confident8 Ų837.9 Ų37.94%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-125.5143.2175.368.2-99.4000111.2I241 A244 L246 G247 I249 I268 H277 L278I241-F344 HydrophobicContact CD1-CE1 3.6Å; I241-F344 HydrophobicContact CD1-CZ 3.64Å; I241-F344 HydrophobicContact CG2-CE2 4.3Å; I241-F344 HydrophobicContact CG2-CZ 3.93Å; A244-F344 HydrophobicContact CB-CD2 4.26Å; A244-F344 HydrophobicContact CB-CE2 3.86Å; L246-F344 CarbonylContact C-O 3.46Å; L246-F344 WeakPolarHBondContact CA-O 3.43Å; G247-F344 VanDerWaalsContact C-CE1 3.44Å; G247-F344 VanDerWaalsContact CA-CZ 3.48Å; G247-F344 PolarHBondContact N-O 2.94Å; G247-F344 PolarHBondContact O-N 3.01Å; I249-F344 HydrophobicContact CD1-CD1 4.22Å; I249-F344 HydrophobicContact CD1-CE1 4.4Å; I249-F344 HydrophobicContact CG1-CD1 4.25Å; I249-F344 HydrophobicContact CG1-CE1 4.16Å; I268-F344 HydrophobicContact CD1-CB 4.08Å; I268-F344 HydrophobicContact CD1-CD1 4.14Å; I268-F344 HydrophobicContact CD1-CG 4.1Å; I268-F344 HydrophobicContact CG2-CD2 3.98Å; I268-F344 HydrophobicContact CG2-CE2 4.2Å; I268-F344 HydrophobicContact CG2-CG 4.34Å; H277-F344 VanDerWaalsContact O-CA 3.3Å; H277-F344 WeakPolarHBondContact O-CA 3.29Å; L278-F344 HydrophobicContact CD2-CB 3.68Å
345E92.4Very high83.3Confident14 Ų1434.7 Ų34.77%0.06519%0.194CC..EExtended strand (participates in β ladder)trans-142152171.962.1170.7-106.900112.4T245 L246 L276 H277 R343 A354T245-E345 CarbonylContact O-C 3.59Å; T245-E345 WeakPolarHBondContact O-CA 3.01Å; L246-E345 HydrophobicContact CD1-CB 4Å; L276-E345 CarbonylContact C-O 3.47Å; L276-E345 VanDerWaalsContact CA-O 3.32Å; L276-E345 WeakPolarHBondContact CA-O 3.38Å; H277-E345 HydrophobicContact CB-CG 4.12Å; H277-E345 PolarHBondContact N-O 3.35Å; H277-E345 PolarHBondContact O-N 3.11Å; R343-E345 IonicContact CZ-OE2 2.9Å; R343-E345 IonicContact NH1-OE2 3.19Å; R343-E345 PolarHBondContact NH1-OE2 2.68Å; R343-E345 IonicContact NH2-OE2 2.99Å; R343-E345 PolarHBondContact NH2-OE2 2.99Å; E345-A354 WeakPolarHBondContact OE1-CB 3.35Å; E345-A354 PolarHBondContact OE1-N 3.39Å
346A93Very high84.9Confident10 Ų1033.1 Ų33.18%0.08317%0.172CC..EExtended strand (participates in β ladder)trans-113.8111.7-17800000112A244 T245 A270 R274 R275 L276A244-A346 WeakPolarHBondContact O-CB 3.4Å; T245-A346 PolarHBondContact O-N 3.19Å; A270-A346 HydrophobicContact CB-CB 3.79Å; R274-A346 PolarHBondContact NH1-O 2.74Å; R275-A346 CarbonylContact O-C 3.33Å; R275-A346 VanDerWaalsContact O-CA 3.28Å; R275-A346 WeakPolarHBondContact O-CA 3.42Å; L276-A346 HydrophobicContact CD2-CB 3.86Å
347F92.3Very high86.3Confident21 Ų2129.5 Ų29.59%0.09215%0.153CC..EExtended strand (participates in β ladder)trans-115.4164.1-176.169.8-77.3000111.4R274 R275 H277 I319 F353R274-F347 CarbonylContact C-O 3.55Å; R274-F347 WeakPolarHBondContact CA-O 3.41Å; R274-F347 WeakPolarHBondContact CB-O 3.42Å; R275-F347 HydrophobicContact CB-CD1 4.46Å; R275-F347 HydrophobicContact CB-CE1 3.89Å; R275-F347 HydrophobicContact CB-CE2 4.46Å; R275-F347 HydrophobicContact CB-CZ 3.89Å; R275-F347 PolarHBondContact N-O 2.66Å; R275-F347 PolarHBondContact O-N 3.32Å; H277-F347 HydrophobicContact CB-CD1 4.31Å; H277-F347 HydrophobicContact CB-CE1 3.99Å; I319-F347 HydrophobicContact CD1-CZ 4.49Å; I319-F347 HydrophobicContact CG2-CE1 4.32Å; I319-F347 HydrophobicContact CG2-CZ 3.88Å; F347-F353 HydrophobicContact CB-CB 4.36Å; F347-F353 HydrophobicContact CD1-CB 3.71Å; F347-F353 HydrophobicContact CD2-CB 4.18Å; F347-F353 HydrophobicContact CE1-CB 3.97Å; F347-F353 HydrophobicContact CE2-CB 4.4Å; F347-F353 HydrophobicContact CG-CB 3.83Å; F347-F353 HydrophobicContact CZ-CB 4.31Å
348E90.8Very high87.5Confident63 Ų6327.9 Ų27.929%0.29415%0.146SC..EExtended strand (participates in β ladder)trans-93.8154.2-178.1-64.1164.8174.200110.5R274 D350 R351R274-E348 HydrophobicContact CG-CG 3.94Å; R274-E348 IonicContact CZ-OE1 3.81Å; R274-E348 IonicContact NE-OE1 3.27Å; R274-E348 IonicContact NH2-OE1 3.58Å; R274-E348 PolarHBondContact NH2-OE1 3Å; E348-D350 WeakPolarHBondContact CB-OD1 3.19Å; E348-D350 PolarHBondContact O-N 2.85Å; E348-D350 VanDerWaalsContact O-N 3.15Å; E348-R351 HydrophobicContact CB-CG 4.33Å; E348-R351 WeakPolarHBondContact O-CG 3.35Å; E348-R351 PolarHBondContact O-N 3.4Å; E348-R351 IonicContact OE2-CZ 3.6Å; E348-R351 VanDerWaalsContact OE2-CZ 3.29Å; E348-R351 IonicContact OE2-NE 3.88Å; E348-R351 PolarHBondContact OE2-NE 3.33Å; E348-R351 IonicContact OE2-NH2 2.7Å; E348-R351 PolarHBondContact OE2-NH2 2.64Å
349E87.6Confident88.5Confident105 Ų10531 Ų3149%0.49116%0.16SC..THydrogen-bonded Turntrans-70.8-8.5-172.7-54.7-168.612000114.9R275R275-E349 HydrophobicContact CG-CG 4.21Å; R275-E349 IonicContact CZ-OE1 3.23Å; R275-E349 IonicContact NE-OE1 3.09Å; R275-E349 PolarHBondContact NE-OE1 2.82Å; R275-E349 IonicContact NH2-OE1 3.87Å; R275-E349 PolarHBondContact NH2-OE1 2.9Å
350D89.6Confident89.2Confident67 Ų6728.9 Ų28.936%0.35815%0.153SC..THydrogen-bonded Turntrans-94.37.5-178.974.5-44.4000114.2E348 R370 P371E348-D350 WeakPolarHBondContact CB-OD1 3.19Å; E348-D350 PolarHBondContact O-N 2.85Å; E348-D350 VanDerWaalsContact O-N 3.15Å; D350-R370 IonicContact OD2-CZ 2.79Å; D350-R370 IonicContact OD2-NH1 3.16Å; D350-R370 PolarHBondContact OD2-NH1 2.9Å; D350-R370 IonicContact OD2-NH2 3.9Å; D350-P371 WeakPolarHBondContact O-CD 3.25Å
351R91.6Very high89.5Confident28 Ų2833.2 Ų33.211%0.10618%0.176CC..SBendtrans-149.7159.8-172.963.4-174.284.6-82.6-12.2112.2E348 E368 Y369 R370E348-R351 HydrophobicContact CB-CG 4.33Å; E348-R351 WeakPolarHBondContact O-CG 3.35Å; E348-R351 PolarHBondContact O-N 3.4Å; E348-R351 IonicContact OE2-CZ 3.6Å; E348-R351 VanDerWaalsContact OE2-CZ 3.29Å; E348-R351 IonicContact OE2-NE 3.88Å; E348-R351 PolarHBondContact OE2-NE 3.33Å; E348-R351 IonicContact OE2-NH2 2.7Å; E348-R351 PolarHBondContact OE2-NH2 2.64Å; R351-E368 WeakPolarHBondContact CB-O 3.46Å; R351-E368 WeakPolarHBondContact CD-O 3.47Å; R351-E368 PolarHBondContact NH1-O 2.85Å; R351-E368 IonicContact NH1-OE2 3.7Å; R351-Y369 WeakPolarHBondContact CB-O 3.49Å; R351-R370 VanDerWaalsContact NH1-CZ 3.29Å
352C92.4Very high89.7Confident2 Ų235 Ų351%0.01419%0.187CC..  trans-73.8155.9168.3-64.30000111.1Y369 C396 H403 W404C352-Y369 PolarHBondContact N-O 3.17Å; C352-Y369 WeakPolarHBondContact O-CB 3.06Å; C352-C396 HydrophobicContact CB-CB 3.86Å; C352-C396 WeakPolarHBondContact CB-SG 3.48Å; C352-C396 WeakPolarHBondContact SG-CA 3.39Å; C352-C396 WeakPolarHBondContact SG-CB 3.43Å; C352-C396 CovalentContact SG-SG 2.04Å; C352-C396 PolarHBondContact SG-SG 2.98Å; C352-H403 PolarHBondContact SG-N 2.87Å; C352-W404 HydrophobicContact CB-CD2 4.04Å; C352-W404 VanDerWaalsContact CB-CE2 3.47Å; C352-W404 HydrophobicContact CB-CG 4.46Å; C352-W404 HydrophobicContact CB-CH2 4.32Å; C352-W404 HydrophobicContact CB-CZ2 3.61Å
353F91.1Very high89.8Confident16 Ų1639.2 Ų39.27%0.0721%0.213CC..  trans-69.8159.1171.465.4-96000111H277 I319 F347 P355 W404 E408H277-F353 HydrophobicContact CB-CB 4.13Å; H277-F353 HydrophobicContact CB-CD1 4.48Å; H277-F353 HydrophobicContact CB-CD2 4.43Å; H277-F353 HydrophobicContact CB-CG 4.11Å; H277-F353 AromaticContact CD2-CD1 3.99Å; H277-F353 AromaticContact CD2-CE1 3.83Å; H277-F353 AromaticContact CD2-CZ 3.85Å; H277-F353 AromaticContact CE1-CD2 3.73Å; H277-F353 AromaticContact CE1-CE2 3.32Å; H277-F353 WeakPolarHBondContact CE1-CE2 3.43Å; H277-F353 AromaticContact CE1-CZ 3.7Å; H277-F353 AromaticContact CG-CD2 3.86Å; H277-F353 AromaticContact CG-CG 3.9Å; H277-F353 AromaticContact ND1-CD2 3.61Å; H277-F353 AromaticContact ND1-CE2 3.72Å; H277-F353 AromaticContact NE2-CE1 3.85Å; H277-F353 AromaticContact NE2-CE2 3.55Å; H277-F353 AromaticContact NE2-CZ 3.4Å; H277-F353 WeakPolarHBondContact NE2-CZ 3.48Å; I319-F353 HydrophobicContact CD1-CD1 4.2Å; I319-F353 HydrophobicContact CD1-CE1 4.08Å; F347-F353 HydrophobicContact CB-CB 4.36Å; F347-F353 HydrophobicContact CD1-CB 3.71Å; F347-F353 HydrophobicContact CD2-CB 4.18Å; F347-F353 HydrophobicContact CE1-CB 3.97Å; F347-F353 HydrophobicContact CE2-CB 4.4Å; F347-F353 HydrophobicContact CG-CB 3.83Å; F347-F353 HydrophobicContact CZ-CB 4.31Å; F353-P355 WeakPolarHBondContact O-CD 3.4Å; F353-W404 AromaticContact CE1-CD1 3.67Å; F353-W404 AromaticContact CE2-CD1 3.9Å; F353-W404 AromaticContact CE2-NE1 3.97Å; F353-W404 AromaticContact CZ-CD1 3.54Å; F353-W404 WeakPolarHBondContact O-CZ2 3.37Å; F353-W404 PolarHBondContact O-NE1 2.76Å; F353-E408 WeakPolarHBondContact CE2-OE1 3.21Å
354A89.7Confident89.9Confident26 Ų2639.8 Ų39.822%0.21522%0.22CC..  trans-77.6115.7-178.200000110.7E345 Y369E345-A354 WeakPolarHBondContact OE1-CB 3.35Å; E345-A354 PolarHBondContact OE1-N 3.39Å; A354-Y369 HydrophobicContact CB-CD2 4.03Å; A354-Y369 HydrophobicContact CB-CE2 3.49Å; A354-Y369 VanDerWaalsContact CB-CE2 3.49Å
355P88.8Confident90Very high8 Ų844.1 Ų44.15%0.05225%0.248CC..  trans-69.7142.6-175.226.8-32.3000111.1F353 V362 Y369 A375 F377 I394 W404 E408F353-P355 WeakPolarHBondContact O-CD 3.4Å; P355-V362 HydrophobicContact CG-CG1 4.25Å; P355-Y369 HydrophobicContact CG-CE1 4.48Å; P355-A375 HydrophobicContact CG-CB 3.72Å; P355-F377 HydrophobicContact CB-CE1 4.15Å; P355-F377 HydrophobicContact CB-CZ 4.08Å; P355-F377 HydrophobicContact CG-CE1 4.46Å; P355-F377 HydrophobicContact CG-CZ 4.35Å; P355-I394 HydrophobicContact CB-CD1 4.05Å; P355-I394 HydrophobicContact CG-CD1 4.38Å; P355-W404 HydrophobicContact CG-CZ2 4.01Å; P355-E408 WeakPolarHBondContact CA-OE1 3.42Å; P355-E408 HydrophobicContact CB-CG 3.49Å; P355-E408 VanDerWaalsContact CB-CG 3.49Å
356F83.6Confident90Very high50 Ų5045.5 Ų45.522%0.21926%0.255CS..  trans-110.5136.7-175.1176-105.8000111.9H279 E281 A358H279-F356 AromaticContact CD2-CD1 3.67Å; H279-F356 AromaticContact NE2-CD1 3.54Å; E281-F356 HydrophobicContact CG-CE1 4.27Å; F356-A358 HydrophobicContact CE1-CB 3.98Å; F356-A358 HydrophobicContact CZ-CB 4.29Å
357L86Confident89.9Confident12 Ų1250 Ų506%0.06328%0.284CS..  trans-128.9100.4177.9-17466.2000110H359 G360 V362 F377 S378 P409 C411L357-H359 PolarHBondContact O-N 3.12Å; L357-G360 PolarHBondContact O-N 3.09Å; L357-V362 HydrophobicContact CB-CG2 3.85Å; L357-F377 HydrophobicContact CB-CD1 4.25Å; L357-F377 HydrophobicContact CD1-CD1 4.36Å; L357-F377 HydrophobicContact CD2-CB 4.03Å; L357-F377 HydrophobicContact CD2-CD1 4.02Å; L357-F377 HydrophobicContact CG-CD1 4.45Å; L357-S378 WeakPolarHBondContact CD2-O 3.42Å; L357-P409 WeakPolarHBondContact CD1-O 3.35Å; L357-C411 HydrophobicContact CD1-CB 4.47Å
358A82.6Confident89.9Confident47 Ų4753.7 Ų53.739%0.38830%0.301SS..THydrogen-bonded Turntrans-59.1135.6170.600000109.9F356 G360 C411F356-A358 HydrophobicContact CE1-CB 3.98Å; F356-A358 HydrophobicContact CZ-CB 4.29Å; A358-G360 PolarHBondContact O-N 2.87Å; A358-C411 WeakPolarHBondContact O-CB 3.31Å
359H87.3Confident90Very high74 Ų7452.6 Ų52.634%0.34330%0.295SS..THydrogen-bonded Turntrans54.631.2-178.8-51.8-62.1000115.4L357 L380 Y383 C411 P432L357-H359 PolarHBondContact O-N 3.12Å; H359-L380 WeakPolarHBondContact O-CB 3.06Å; H359-L380 WeakPolarHBondContact O-CG 3.42Å; H359-L380 PolarHBondContact O-N 2.99Å; H359-Y383 HydrophobicContact CB-CD1 3.73Å; H359-Y383 HydrophobicContact CB-CD2 4.08Å; H359-Y383 HydrophobicContact CB-CE1 3.53Å; H359-Y383 HydrophobicContact CB-CE2 3.89Å; H359-Y383 HydrophobicContact CB-CG 4Å; H359-Y383 AromaticContact CD2-CE1 3.6Å; H359-Y383 AromaticContact CD2-CZ 3.94Å; H359-Y383 AromaticContact CG-CE1 3.49Å; H359-Y383 VanDerWaalsContact CG-CE1 3.49Å; H359-Y383 AromaticContact CG-CZ 3.47Å; H359-Y383 VanDerWaalsContact CG-CZ 3.47Å; H359-Y383 AromaticContact ND1-CZ 3.76Å; H359-Y383 PolarHBondContact ND1-OH 2.96Å; H359-C411 HydrophobicContact CB-CB 4.45Å; H359-P432 WeakPolarHBondContact NE2-CD 3.45Å
360G88.7Confident90.3Very high16 Ų1651.7 Ų51.717%0.16529%0.287CS..EExtended strand (participates in β ladder)trans-149.4-173.9173.500000113.6L357 A358 S378L357-G360 PolarHBondContact O-N 3.09Å; A358-G360 PolarHBondContact O-N 2.87Å; G360-S378 CarbonylContact C-O 3.54Å; G360-S378 WeakPolarHBondContact CA-O 3.32Å
361N90.6Very high90.6Very high93 Ų9350.7 Ų50.750%0.49728%0.284SS..EExtended strand (participates in β ladder)trans-123.6142.6174.5-58-65.2000110S378N361-S378 PolarHBondContact N-O 3.14Å; N361-S378 PolarHBondContact O-N 3.32Å; N361-S378 PolarHBondContact O-OG 3.5Å
362V91.1Very high90.6Very high42 Ų4251.7 Ų51.726%0.25530%0.303SS..EExtended strand (participates in β ladder)trans-107.9135.5172.3-172.40000109.3P355 L357 A375 T376 F377P355-V362 HydrophobicContact CG-CG1 4.25Å; L357-V362 HydrophobicContact CB-CG2 3.85Å; V362-A375 HydrophobicContact CG1-CB 4.07Å; V362-T376 WeakPolarHBondContact CA-O 2.88Å; V362-F377 HydrophobicContact CG1-CD1 4.43Å; V362-F377 HydrophobicContact CG1-CE1 4.23Å; V362-F377 HydrophobicContact CG2-CD1 3.86Å; V362-F377 HydrophobicContact CG2-CE1 3.9Å
363T93.1Very high90.7Very high88 Ų8851.7 Ų51.754%0.5430%0.303SS..EExtended strand (participates in β ladder)trans-123.6135.2169.540.70000110.7T376T363-T376 PolarHBondContact N-O 2.91Å; T363-T376 PolarHBondContact O-N 2.87Å; T363-T376 PolarHBondContact O-OG1 3.07Å; T363-T376 PolarHBondContact OG1-OG1 3.11Å
364T93.6Very high90.9Very high45 Ų4554 Ų5428%0.27632%0.316SS..EExtended strand (participates in β ladder)trans-122.8152.4-173.5179.10000112.5D366 Y369 L374T364-D366 VanDerWaalsContact CG2-O 3.28Å; T364-D366 WeakPolarHBondContact CG2-O 3.41Å; T364-D366 PolarHBondContact OG1-N 3.2Å; T364-D366 PolarHBondContact OG1-O 3.04Å; T364-Y369 HydrophobicContact CG2-CE1 3.8Å; T364-L374 WeakPolarHBondContact CA-O 3.35Å
365T94.1Very high91.1Very high100 Ų10052.8 Ų52.861%0.61331%0.306SS*.SBendtrans-75.3-23.8170.155.60000113.5L374T365-L374 HydrophobicContact CG2-CB 4.06Å; T365-L374 PolarHBondContact N-O 3.35Å; T365-L374 VanDerWaalsContact N-O 3.1Å; T365-L374 PolarHBondContact OG1-N 3.3Å
366D93.2Very high91.3Very high42 Ų4254.3 Ų54.323%0.22532%0.315CS..  trans-137.4118.4175.2-177.5-4.8000109.5T364 E368 Y369 R370 A373T364-D366 VanDerWaalsContact CG2-O 3.28Å; T364-D366 WeakPolarHBondContact CG2-O 3.41Å; T364-D366 PolarHBondContact OG1-N 3.2Å; T364-D366 PolarHBondContact OG1-O 3.04Å; D366-E368 PolarHBondContact O-N 2.77Å; D366-E368 WeakPolarHBondContact OD1-CB 3.18Å; D366-E368 PolarHBondContact OD1-N 3.35Å; D366-Y369 PolarHBondContact O-N 2.79Å; D366-R370 WeakPolarHBondContact OD2-CB 3.5Å; D366-R370 WeakPolarHBondContact OD2-CG 3.42Å; D366-A373 HydrophobicContact CB-CB 3.94Å
367P90.9Very high91.6Very high106 Ų10652.2 Ų52.269%0.68831%0.306SS*.THydrogen-bonded Turntrans-69.2-13.1177.931.1-37.1000113.8
368E90.7Very high91.9Very high98 Ų9854.1 Ų54.146%0.45832%0.32SS..THydrogen-bonded Turntrans-94.45.6174.5-60.8-168.9170.300113.2R351 D366 R370R351-E368 WeakPolarHBondContact CB-O 3.46Å; R351-E368 WeakPolarHBondContact CD-O 3.47Å; R351-E368 PolarHBondContact NH1-O 2.85Å; R351-E368 IonicContact NH1-OE2 3.7Å; D366-E368 PolarHBondContact O-N 2.77Å; D366-E368 WeakPolarHBondContact OD1-CB 3.18Å; D366-E368 PolarHBondContact OD1-N 3.35Å; E368-R370 HydrophobicContact CB-CG 4.13Å; E368-R370 PolarHBondContact O-N 3.04Å; E368-R370 VanDerWaalsContact O-N 3.1Å; E368-R370 IonicContact OE2-CZ 2.98Å; E368-R370 IonicContact OE2-NE 3.97Å; E368-R370 PolarHBondContact OE2-NE 3.42Å; E368-R370 IonicContact OE2-NH2 2.77Å; E368-R370 PolarHBondContact OE2-NH2 3.24Å
369Y93.4Very high92.3Very high40 Ų4053.3 Ų53.316%0.15731%0.311CS..  trans47.938.6174.1-59.2-68.1000115.2R351 C352 A354 P355 T364 D366 A375 C396 W404R351-Y369 WeakPolarHBondContact CB-O 3.49Å; C352-Y369 PolarHBondContact N-O 3.17Å; C352-Y369 WeakPolarHBondContact O-CB 3.06Å; A354-Y369 HydrophobicContact CB-CD2 4.03Å; A354-Y369 HydrophobicContact CB-CE2 3.49Å; A354-Y369 VanDerWaalsContact CB-CE2 3.49Å; P355-Y369 HydrophobicContact CG-CE1 4.48Å; T364-Y369 HydrophobicContact CG2-CE1 3.8Å; D366-Y369 PolarHBondContact O-N 2.79Å; Y369-A375 HydrophobicContact CE1-CB 4.47Å; Y369-C396 PolarHBondContact O-SG 2.93Å; Y369-C396 VanDerWaalsContact O-SG 3.34Å; Y369-W404 AromaticContact CD1-CH2 3.78Å; Y369-W404 HydrophobicContact CD1-CH2 3.78Å; Y369-W404 AromaticContact CD1-CZ2 3.81Å; Y369-W404 HydrophobicContact CD1-CZ2 3.81Å; Y369-W404 HydrophobicContact CE1-CH2 4.46Å; Y369-W404 HydrophobicContact CE1-CZ2 4.46Å; Y369-W404 HydrophobicContact CG-CZ2 4.27Å
370R94.3Very high92.6Very high85 Ų8553.1 Ų53.132%0.32131%0.312SS..  trans-70.1160.5179.4-60.5-178.7169-70.1-8.5111.4D350 R351 D366 E368 G372 A373D350-R370 IonicContact OD2-CZ 2.79Å; D350-R370 IonicContact OD2-NH1 3.16Å; D350-R370 PolarHBondContact OD2-NH1 2.9Å; D350-R370 IonicContact OD2-NH2 3.9Å; R351-R370 VanDerWaalsContact NH1-CZ 3.29Å; D366-R370 WeakPolarHBondContact OD2-CB 3.5Å; D366-R370 WeakPolarHBondContact OD2-CG 3.42Å; E368-R370 HydrophobicContact CB-CG 4.13Å; E368-R370 PolarHBondContact O-N 3.04Å; E368-R370 VanDerWaalsContact O-N 3.1Å; E368-R370 IonicContact OE2-CZ 2.98Å; E368-R370 IonicContact OE2-NE 3.97Å; E368-R370 PolarHBondContact OE2-NE 3.42Å; E368-R370 IonicContact OE2-NH2 2.77Å; E368-R370 PolarHBondContact OE2-NH2 3.24Å; R370-G372 PolarHBondContact O-N 3.05Å; R370-A373 WeakPolarHBondContact O-CB 3.12Å; R370-A373 PolarHBondContact O-N 2.04Å
371P95.1Very high92.6Very high47 Ų4756.7 Ų56.731%0.30533%0.333SS..THydrogen-bonded Turntrans-51.5124.8173.1-2936.1000112.5D350 C396 P399 P402D350-P371 WeakPolarHBondContact O-CD 3.25Å; P371-C396 CarbonylContact C-O 3.57Å; P371-C396 WeakPolarHBondContact CA-O 3.39Å; P371-P399 HydrophobicContact CB-CB 4.35Å; P371-P399 HydrophobicContact CB-CG 4.26Å; P371-P402 HydrophobicContact CG-CB 4.16Å; P371-P402 HydrophobicContact CG-CG 3.93Å
372G92.7Very high92.6Very high49 Ų4953.7 Ų53.751%0.50532%0.324SS..THydrogen-bonded Turntrans95.5-1.2-168.700000115.2R370 C396R370-G372 PolarHBondContact O-N 3.05Å; G372-C396 PolarHBondContact N-O 2.89Å
373A94.9Very high92.5Very high2 Ų253.3 Ų53.32%0.01732%0.318CS..  trans-71.3138.3170.300000111.1D366 R370 E395 C396D366-A373 HydrophobicContact CB-CB 3.94Å; R370-A373 WeakPolarHBondContact O-CB 3.12Å; R370-A373 PolarHBondContact O-N 2.04Å; A373-E395 CarbonylContact O-C 3.56Å; A373-E395 WeakPolarHBondContact O-CA 3.37Å; A373-C396 HydrophobicContact CB-CB 4.28Å; A373-C396 PolarHBondContact O-N 3.2Å
374L94.6Very high92.3Very high65 Ų6551.1 Ų51.134%0.3431%0.308SS..EExtended strand (participates in β ladder)trans-116.2114.5176.8-176.479.2000109T364 T365 T376 A393 I394 E395T364-L374 WeakPolarHBondContact CA-O 3.35Å; T365-L374 HydrophobicContact CG2-CB 4.06Å; T365-L374 PolarHBondContact N-O 3.35Å; T365-L374 VanDerWaalsContact N-O 3.1Å; T365-L374 PolarHBondContact OG1-N 3.3Å; L374-T376 HydrophobicContact CD2-CG2 4.16Å; L374-T376 HydrophobicContact CG-CG2 4.31Å; L374-A393 HydrophobicContact CD1-CB 3.99Å; L374-A393 HydrophobicContact CG-CB 4.22Å; L374-I394 CarbonylContact C-O 3.54Å; L374-I394 WeakPolarHBondContact CA-O 3.29Å; L374-E395 HydrophobicContact CD1-CB 4.22Å
375A93.4Very high92.1Very high0 Ų050.8 Ų50.80%031%0.305CS..EExtended strand (participates in β ladder)trans-96.2125.5174.100000109.8P355 V362 Y369 A393 I394 W404P355-A375 HydrophobicContact CG-CB 3.72Å; V362-A375 HydrophobicContact CG1-CB 4.07Å; Y369-A375 HydrophobicContact CE1-CB 4.47Å; A375-A393 CarbonylContact O-C 3.58Å; A375-A393 WeakPolarHBondContact O-CA 3.05Å; A375-A393 WeakPolarHBondContact O-CB 3.34Å; A375-I394 HydrophobicContact CB-CG1 4.13Å; A375-I394 PolarHBondContact N-O 3.49Å; A375-I394 PolarHBondContact O-N 2.74Å; A375-W404 HydrophobicContact CB-CH2 3.9Å; A375-W404 HydrophobicContact CB-CZ3 4.17Å
376T92.6Very high91.7Very high39 Ų3949.7 Ų49.724%0.23929%0.293CS..EExtended strand (participates in β ladder)trans-114.5139.1-175.257.60000110.3V362 T363 L374 A393V362-T376 WeakPolarHBondContact CA-O 2.88Å; T363-T376 PolarHBondContact N-O 2.91Å; T363-T376 PolarHBondContact O-N 2.87Å; T363-T376 PolarHBondContact O-OG1 3.07Å; T363-T376 PolarHBondContact OG1-OG1 3.11Å; L374-T376 HydrophobicContact CD2-CG2 4.16Å; L374-T376 HydrophobicContact CG-CG2 4.31Å; T376-A393 HydrophobicContact CG2-CB 3.78Å
377F91.8Very high90.9Very high6 Ų652.4 Ų52.43%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-110.9142.2-170-58.9-79.5000112.4P355 L357 V362 L385 N392 I394 E408 P409P355-F377 HydrophobicContact CB-CE1 4.15Å; P355-F377 HydrophobicContact CB-CZ 4.08Å; P355-F377 HydrophobicContact CG-CE1 4.46Å; P355-F377 HydrophobicContact CG-CZ 4.35Å; L357-F377 HydrophobicContact CB-CD1 4.25Å; L357-F377 HydrophobicContact CD1-CD1 4.36Å; L357-F377 HydrophobicContact CD2-CB 4.03Å; L357-F377 HydrophobicContact CD2-CD1 4.02Å; L357-F377 HydrophobicContact CG-CD1 4.45Å; V362-F377 HydrophobicContact CG1-CD1 4.43Å; V362-F377 HydrophobicContact CG1-CE1 4.23Å; V362-F377 HydrophobicContact CG2-CD1 3.86Å; V362-F377 HydrophobicContact CG2-CE1 3.9Å; F377-L385 HydrophobicContact CB-CD2 4.14Å; F377-N392 PolarHBondContact N-O 2.87Å; F377-I394 HydrophobicContact CE2-CB 4.4Å; F377-I394 HydrophobicContact CE2-CD1 4.1Å; F377-I394 HydrophobicContact CE2-CG1 3.77Å; F377-I394 HydrophobicContact CE2-CG2 4.13Å; F377-I394 HydrophobicContact CZ-CD1 3.72Å; F377-I394 HydrophobicContact CZ-CG1 3.81Å; F377-E408 HydrophobicContact CE1-CB 4.34Å; F377-E408 HydrophobicContact CE1-CG 4.11Å; F377-E408 HydrophobicContact CZ-CB 4.27Å; F377-E408 HydrophobicContact CZ-CG 3.95Å; F377-P409 HydrophobicContact CB-CG 3.8Å; F377-P409 HydrophobicContact CD1-CG 4.2Å; F377-P409 VanDerWaalsContact CD2-CD 3.43Å; F377-P409 HydrophobicContact CD2-CG 3.63Å; F377-P409 HydrophobicContact CE2-CG 4.24Å; F377-P409 HydrophobicContact CG-CG 3.6Å
378S91.3Very high89.8Confident52 Ų5252.8 Ų52.836%0.36432%0.315SS..EExtended strand (participates in β ladder)trans-146.2138173.559.90000111.1L357 G360 N361L357-S378 WeakPolarHBondContact CD2-O 3.42Å; G360-S378 CarbonylContact C-O 3.54Å; G360-S378 WeakPolarHBondContact CA-O 3.32Å; N361-S378 PolarHBondContact N-O 3.14Å; N361-S378 PolarHBondContact O-N 3.32Å; N361-S378 PolarHBondContact O-OG 3.5Å
379C91.7Very high88.5Confident30 Ų3050.1 Ų50.120%0.20331%0.314CS..EExtended strand (participates in β ladder)trans-88.6158-179.2-61.80000113.1Y383 L385 C411C379-Y383 WeakPolarHBondContact CB-O 3.5Å; C379-L385 WeakPolarHBondContact SG-CD2 3.35Å; C379-L385 PolarHBondContact SG-N 2.99Å; C379-C411 WeakPolarHBondContact CA-SG 3.06Å; C379-C411 HydrophobicContact CB-CB 3.89Å; C379-C411 WeakPolarHBondContact CB-SG 3.15Å; C379-C411 WeakPolarHBondContact SG-CB 3.37Å; C379-C411 CovalentContact SG-SG 2.04Å; C379-C411 PolarHBondContact SG-SG 3.37Å
380L92Very high87.2Confident70 Ų7054 Ų5437%0.36634%0.344SS..PPolyproline II helixtrans-71.8156.9169.2-66176.4000111.3H359 G382 Y383H359-L380 WeakPolarHBondContact O-CB 3.06Å; H359-L380 WeakPolarHBondContact O-CG 3.42Å; H359-L380 PolarHBondContact O-N 2.99Å; L380-G382 PolarHBondContact O-N 2.87Å; L380-Y383 HydrophobicContact CB-CD2 4.22Å; L380-Y383 PolarHBondContact O-N 2.84Å
381P90.6Very high85.9Confident92 Ų9254 Ų5460%0.59736%0.355SS*.THydrogen-bonded Turntrans-54129.1179-27.736000113.2V425P381-V425 HydrophobicContact CB-CG2 4.13Å
382G88.9Confident85.3Confident29 Ų2955.8 Ų55.830%0.29936%0.362SS..THydrogen-bonded Turntrans95.4-8.2-175.400000115L380 V425L380-G382 PolarHBondContact O-N 2.87Å; G382-V425 WeakPolarHBondContact CA-O 3.48Å
383Y90.6Very high85.2Confident35 Ų3554.3 Ų54.314%0.13735%0.345CS..  trans-113.4152.6174.2-59.5-102.4000111H359 C379 L380 K412 A413 L427 W431H359-Y383 HydrophobicContact CB-CD1 3.73Å; H359-Y383 HydrophobicContact CB-CD2 4.08Å; H359-Y383 HydrophobicContact CB-CE1 3.53Å; H359-Y383 HydrophobicContact CB-CE2 3.89Å; H359-Y383 HydrophobicContact CB-CG 4Å; H359-Y383 AromaticContact CD2-CE1 3.6Å; H359-Y383 AromaticContact CD2-CZ 3.94Å; H359-Y383 AromaticContact CG-CE1 3.49Å; H359-Y383 VanDerWaalsContact CG-CE1 3.49Å; H359-Y383 AromaticContact CG-CZ 3.47Å; H359-Y383 VanDerWaalsContact CG-CZ 3.47Å; H359-Y383 AromaticContact ND1-CZ 3.76Å; H359-Y383 PolarHBondContact ND1-OH 2.96Å; C379-Y383 WeakPolarHBondContact CB-O 3.5Å; L380-Y383 HydrophobicContact CB-CD2 4.22Å; L380-Y383 PolarHBondContact O-N 2.84Å; Y383-K412 WeakPolarHBondContact CA-O 3.49Å; Y383-A413 HydrophobicContact CD1-CB 4.49Å; Y383-L427 HydrophobicContact CD2-CD1 3.82Å; Y383-L427 HydrophobicContact CE1-CD1 4.27Å; Y383-L427 HydrophobicContact CE2-CD1 3.44Å; Y383-L427 VanDerWaalsContact CE2-CD1 3.44Å; Y383-L427 HydrophobicContact CG-CD1 4.38Å; Y383-W431 VanDerWaalsContact CE1-O 3.31Å; Y383-W431 WeakPolarHBondContact CE1-O 3.05Å
384A88.9Confident85Confident41 Ų4154.4 Ų54.434%0.33935%0.345SS..EExtended strand (participates in β ladder)trans-130.8158.9172.500000111.4C411 K412 M414A384-C411 WeakPolarHBondContact O-CA 3.38Å; A384-K412 PolarHBondContact N-O 2.54Å; A384-K412 PolarHBondContact O-N 2.83Å; A384-M414 HydrophobicContact CB-CG 3.76Å
385L88.4Confident84.9Confident38 Ų3855.3 Ų55.320%0.19935%0.348CS..EExtended strand (participates in β ladder)trans-73.3133.3178.6-68.1170.3000111F377 C379 P387 N392 P409 A410F377-L385 HydrophobicContact CB-CD2 4.14Å; C379-L385 WeakPolarHBondContact SG-CD2 3.35Å; C379-L385 PolarHBondContact SG-N 2.99Å; L385-P387 CarbonylContact O-C 3.54Å; L385-N392 HydrophobicContact CD1-CB 3.96Å; L385-P409 HydrophobicContact CD2-CB 4.02Å; L385-P409 HydrophobicContact CD2-CG 3.79Å; L385-A410 CarbonylContact C-O 3.56Å; L385-A410 WeakPolarHBondContact CA-O 3.16Å
386E85.2Confident85Confident77 Ų7755.3 Ų55.336%0.3635%0.348SS..EExtended strand (participates in β ladder)trans-117.9130.5168.8-170.4-179.3-144.700109.3A410 K412E386-A410 PolarHBondContact N-O 3.18Å; E386-A410 PolarHBondContact O-N 2.72Å; E386-K412 WeakPolarHBondContact OE2-CD 3.04Å; E386-K412 WeakPolarHBondContact OE2-CE 3.38Å; E386-K412 IonicContact OE2-NZ 3.61Å; E386-K412 PolarHBondContact OE2-NZ 2.98Å
387P77.2Confident85Confident100 Ų10055.4 Ų55.465%0.64935%0.348SS*.SBendcis-68.9148.3-3.130-35.8000112.9L385 G389L385-P387 CarbonylContact O-C 3.54Å; P387-G389 PolarHBondContact O-N 3.38Å
388P67.4Low85Confident113 Ų11358.3 Ų58.373%0.73436%0.364SS*.SBendtrans-75.788.1-17730.2-35.5000112.1
389G63.1Low84.9Confident42 Ų4261.2 Ų61.243%0.43338%0.381SS..SBendtrans174.3175.6173.600000113.6P387P387-G389 PolarHBondContact O-N 3.38Å
390P67.2Low84.8Confident121 Ų12166 Ų6679%0.78641%0.41SS*.SBendtrans-73.4150.6165.432.1-33.5000110.8
391P66.4Low84.6Confident87 Ų8768.9 Ų68.957%0.56542%0.421SS*.  cis-83.8126.77.933.7-34.6000112.9A393P391-A393 PolarHBondContact O-N 3.24Å; P391-A393 VanDerWaalsContact O-N 3.17Å
392N83.1Confident84.6Confident84 Ų8465.7 Ų65.745%0.44940%0.401SS..  trans-83.829.3168.868.5-53.2000111.6F377 L385F377-N392 PolarHBondContact N-O 2.87Å; L385-N392 HydrophobicContact CD1-CB 3.96Å
393A89.8Confident84.7Confident17 Ų1768.6 Ų68.614%0.1441%0.407CS..EExtended strand (participates in β ladder)trans-161145.2-172.600000112.1L374 A375 T376 P391L374-A393 HydrophobicContact CD1-CB 3.99Å; L374-A393 HydrophobicContact CG-CB 4.22Å; A375-A393 CarbonylContact O-C 3.58Å; A375-A393 WeakPolarHBondContact O-CA 3.05Å; A375-A393 WeakPolarHBondContact O-CB 3.34Å; T376-A393 HydrophobicContact CG2-CB 3.78Å; P391-A393 PolarHBondContact O-N 3.24Å; P391-A393 VanDerWaalsContact O-N 3.17Å
394I91.1Very high84.7Confident4 Ų467.4 Ų67.42%0.02140%0.402CS..EExtended strand (participates in β ladder)trans-119.4149.9175.260.4-179.8000110.9P355 L374 A375 F377 W404 N405 D406 E408P355-I394 HydrophobicContact CB-CD1 4.05Å; P355-I394 HydrophobicContact CG-CD1 4.38Å; L374-I394 CarbonylContact C-O 3.54Å; L374-I394 WeakPolarHBondContact CA-O 3.29Å; A375-I394 HydrophobicContact CB-CG1 4.13Å; A375-I394 PolarHBondContact N-O 3.49Å; A375-I394 PolarHBondContact O-N 2.74Å; F377-I394 HydrophobicContact CE2-CB 4.4Å; F377-I394 HydrophobicContact CE2-CD1 4.1Å; F377-I394 HydrophobicContact CE2-CG1 3.77Å; F377-I394 HydrophobicContact CE2-CG2 4.13Å; F377-I394 HydrophobicContact CZ-CD1 3.72Å; F377-I394 HydrophobicContact CZ-CG1 3.81Å; I394-W404 HydrophobicContact CB-CE3 4Å; I394-W404 HydrophobicContact CD1-CB 4.07Å; I394-W404 HydrophobicContact CD1-CD2 3.56Å; I394-W404 HydrophobicContact CD1-CE3 3.7Å; I394-W404 HydrophobicContact CD1-CG 3.71Å; I394-W404 HydrophobicContact CD1-CZ3 4.37Å; I394-W404 HydrophobicContact CG1-CD2 3.92Å; I394-W404 HydrophobicContact CG1-CE3 3.48Å; I394-W404 VanDerWaalsContact CG1-CE3 3.48Å; I394-W404 HydrophobicContact CG1-CG 4.46Å; I394-W404 HydrophobicContact CG1-CZ3 3.87Å; I394-W404 WeakPolarHBondContact O-CZ3 3.35Å; I394-N405 WeakPolarHBondContact CA-OD1 3.05Å; I394-D406 HydrophobicContact CG2-CB 3.97Å; I394-E408 HydrophobicContact CD1-CG 4.23Å
395E92.8Very high84.8Confident85 Ų8569 Ų6940%0.39740%0.404SS..EExtended strand (participates in β ladder)trans-114.4133.9-178.5-170.6-179.3176.100110.3A373 L374 V397 N405A373-E395 CarbonylContact O-C 3.56Å; A373-E395 WeakPolarHBondContact O-CA 3.37Å; L374-E395 HydrophobicContact CD1-CB 4.22Å; E395-V397 HydrophobicContact CB-CG1 4.33Å; E395-V397 HydrophobicContact CG-CG1 4.17Å; E395-V397 PolarHBondContact O-N 3.48Å; E395-N405 PolarHBondContact N-OD1 3.18Å; E395-N405 PolarHBondContact O-N 2.68Å; E395-N405 PolarHBondContact O-OD1 3.31Å
396C94.5Very high84.7Confident0 Ų070.5 Ų70.50%041%0.413CS..EExtended strand (participates in β ladder)trans-77.8108.2174.2-176.90000108.3C352 Y369 P371 G372 A373 W404C352-C396 HydrophobicContact CB-CB 3.86Å; C352-C396 WeakPolarHBondContact CB-SG 3.48Å; C352-C396 WeakPolarHBondContact SG-CA 3.39Å; C352-C396 WeakPolarHBondContact SG-CB 3.43Å; C352-C396 CovalentContact SG-SG 2.04Å; C352-C396 PolarHBondContact SG-SG 2.98Å; Y369-C396 PolarHBondContact O-SG 2.93Å; Y369-C396 VanDerWaalsContact O-SG 3.34Å; P371-C396 CarbonylContact C-O 3.57Å; P371-C396 WeakPolarHBondContact CA-O 3.39Å; G372-C396 PolarHBondContact N-O 2.89Å; A373-C396 HydrophobicContact CB-CB 4.28Å; A373-C396 PolarHBondContact O-N 3.2Å; C396-W404 HydrophobicContact CB-CE3 4.04Å; C396-W404 HydrophobicContact CB-CH2 4Å; C396-W404 HydrophobicContact CB-CZ3 3.71Å
397V93.7Very high84.6Confident41 Ų4168.8 Ų68.825%0.24841%0.408CS..EExtended strand (participates in β ladder)trans-109.4167.7-173.9-66.40000111.9E395 P402 H403 N405E395-V397 HydrophobicContact CB-CG1 4.33Å; E395-V397 HydrophobicContact CG-CG1 4.17Å; E395-V397 PolarHBondContact O-N 3.48Å; V397-P402 WeakPolarHBondContact O-CA 3.25Å; V397-H403 VanDerWaalsContact CG2-O 3.28Å; V397-H403 WeakPolarHBondContact CG2-O 3.4Å; V397-H403 PolarHBondContact N-O 2.97Å; V397-H403 PolarHBondContact O-N 2.81Å; V397-N405 HydrophobicContact CG1-CB 4Å; V397-N405 HydrophobicContact CG2-CB 3.92Å
398D90.6Very high84.9Confident66 Ų6665.2 Ų65.235%0.35338%0.382SS..  trans61104-175.3-156.6-59000115.4T400 E401 P402D398-T400 PolarHBondContact O-N 3.31Å; D398-T400 VanDerWaalsContact O-N 3.13Å; D398-T400 WeakPolarHBondContact OD1-CA 3.01Å; D398-T400 WeakPolarHBondContact OD1-CB 3.24Å; D398-T400 PolarHBondContact OD1-N 3.05Å; D398-T400 PolarHBondContact OD1-OG1 2.92Å; D398-E401 CarbonylContact O-C 3.59Å; D398-E401 PolarHBondContact OD1-N 2.63Å; D398-P402 WeakPolarHBondContact O-CA 3.39Å
399P90.3Very high85.9Confident113 Ų11360.8 Ų60.873%0.73435%0.354SS*.SBendtrans-70.20.3176.2-20.734.1000116.2P371P371-P399 HydrophobicContact CB-CB 4.35Å; P371-P399 HydrophobicContact CB-CG 4.26Å
400T89.3Confident86.9Confident130 Ų13060.8 Ų60.880%0.79835%0.349SS*.SBendtrans-114.2-27.2179.957.90000113.7D398D398-T400 PolarHBondContact O-N 3.31Å; D398-T400 VanDerWaalsContact O-N 3.13Å; D398-T400 WeakPolarHBondContact OD1-CA 3.01Å; D398-T400 WeakPolarHBondContact OD1-CB 3.24Å; D398-T400 PolarHBondContact OD1-N 3.05Å; D398-T400 PolarHBondContact OD1-OG1 2.92Å
401E88.1Confident88Confident131 Ų13155.5 Ų55.561%0.61232%0.316SS*.SBendtrans-139.780.1169.5-174.2159.2-143.700109.6D398 H403D398-E401 CarbonylContact O-C 3.59Å; D398-E401 PolarHBondContact OD1-N 2.63Å; E401-H403 PolarHBondContact O-N 3.29Å; E401-H403 PolarHBondContact O-ND1 3.04Å
402P91Very high89Confident26 Ų2655.9 Ų55.917%0.16931%0.308CS..  trans-60121.2-169.3-27.337000113.8P371 V397 D398P371-P402 HydrophobicContact CG-CB 4.16Å; P371-P402 HydrophobicContact CG-CG 3.93Å; V397-P402 WeakPolarHBondContact O-CA 3.25Å; D398-P402 WeakPolarHBondContact O-CA 3.39Å
403H89.8Confident89.4Confident90 Ų9052.1 Ų52.142%0.41729%0.289SS..EExtended strand (participates in β ladder)trans-146.1156.3178.861.3-83.2000112.5C352 V397 E401C352-H403 PolarHBondContact SG-N 2.87Å; V397-H403 VanDerWaalsContact CG2-O 3.28Å; V397-H403 WeakPolarHBondContact CG2-O 3.4Å; V397-H403 PolarHBondContact N-O 2.97Å; V397-H403 PolarHBondContact O-N 2.81Å; E401-H403 PolarHBondContact O-N 3.29Å; E401-H403 PolarHBondContact O-ND1 3.04Å
404W90.8Very high89.3Confident9 Ų954.9 Ų54.93%0.03430%0.3CS..EExtended strand (participates in β ladder)trans-72.8133.8173.1-67.3117.5000111.1C352 F353 P355 Y369 A375 I394 C396 D406C352-W404 HydrophobicContact CB-CD2 4.04Å; C352-W404 VanDerWaalsContact CB-CE2 3.47Å; C352-W404 HydrophobicContact CB-CG 4.46Å; C352-W404 HydrophobicContact CB-CH2 4.32Å; C352-W404 HydrophobicContact CB-CZ2 3.61Å; F353-W404 AromaticContact CE1-CD1 3.67Å; F353-W404 AromaticContact CE2-CD1 3.9Å; F353-W404 AromaticContact CE2-NE1 3.97Å; F353-W404 AromaticContact CZ-CD1 3.54Å; F353-W404 WeakPolarHBondContact O-CZ2 3.37Å; F353-W404 PolarHBondContact O-NE1 2.76Å; P355-W404 HydrophobicContact CG-CZ2 4.01Å; Y369-W404 AromaticContact CD1-CH2 3.78Å; Y369-W404 HydrophobicContact CD1-CH2 3.78Å; Y369-W404 AromaticContact CD1-CZ2 3.81Å; Y369-W404 HydrophobicContact CD1-CZ2 3.81Å; Y369-W404 HydrophobicContact CE1-CH2 4.46Å; Y369-W404 HydrophobicContact CE1-CZ2 4.46Å; Y369-W404 HydrophobicContact CG-CZ2 4.27Å; A375-W404 HydrophobicContact CB-CH2 3.9Å; A375-W404 HydrophobicContact CB-CZ3 4.17Å; I394-W404 HydrophobicContact CB-CE3 4Å; I394-W404 HydrophobicContact CD1-CB 4.07Å; I394-W404 HydrophobicContact CD1-CD2 3.56Å; I394-W404 HydrophobicContact CD1-CE3 3.7Å; I394-W404 HydrophobicContact CD1-CG 3.71Å; I394-W404 HydrophobicContact CD1-CZ3 4.37Å; I394-W404 HydrophobicContact CG1-CD2 3.92Å; I394-W404 HydrophobicContact CG1-CE3 3.48Å; I394-W404 VanDerWaalsContact CG1-CE3 3.48Å; I394-W404 HydrophobicContact CG1-CG 4.46Å; I394-W404 HydrophobicContact CG1-CZ3 3.87Å; I394-W404 WeakPolarHBondContact O-CZ3 3.35Å; C396-W404 HydrophobicContact CB-CE3 4.04Å; C396-W404 HydrophobicContact CB-CH2 4Å; C396-W404 HydrophobicContact CB-CZ3 3.71Å; W404-D406 VanDerWaalsContact C-N 3.32Å; W404-D406 PolarHBondContact O-N 2.73Å
405N90.7Very high89.3Confident74 Ų7457.4 Ų57.440%0.39632%0.317SS..SBendtrans-64.7-33.7179.865.1-13.4000113.3I394 E395 V397I394-N405 WeakPolarHBondContact CA-OD1 3.05Å; E395-N405 PolarHBondContact N-OD1 3.18Å; E395-N405 PolarHBondContact O-N 2.68Å; E395-N405 PolarHBondContact O-OD1 3.31Å; V397-N405 HydrophobicContact CG1-CB 4Å; V397-N405 HydrophobicContact CG2-CB 3.92Å
406D87.1Confident89.2Confident70 Ų7054.1 Ų54.137%0.37431%0.306SS..SBendtrans-137.6179.2178.6-143.3-15.2000111.9R316 I394 W404R316-D406 IonicContact NH2-OD1 2.72Å; I394-D406 HydrophobicContact CG2-CB 3.97Å; W404-D406 VanDerWaalsContact C-N 3.32Å; W404-D406 PolarHBondContact O-N 2.73Å
407T82.8Confident89.1Confident41 Ų4155.9 Ų55.925%0.25232%0.324SS..PPolyproline II helixtrans-81.7154.5179.562.30000113R316R316-T407 HydrophobicContact CG-CG2 3.63Å
408E84.6Confident89Confident25 Ų2561 Ų6112%0.11735%0.345CS..PPolyproline II helixtrans-60.5135.6162.1-61.398130.900111.2F353 P355 F377 I394F353-E408 WeakPolarHBondContact CE2-OE1 3.21Å; P355-E408 WeakPolarHBondContact CA-OE1 3.42Å; P355-E408 HydrophobicContact CB-CG 3.49Å; P355-E408 VanDerWaalsContact CB-CG 3.49Å; F377-E408 HydrophobicContact CE1-CB 4.34Å; F377-E408 HydrophobicContact CE1-CG 4.11Å; F377-E408 HydrophobicContact CZ-CB 4.27Å; F377-E408 HydrophobicContact CZ-CG 3.95Å; I394-E408 HydrophobicContact CD1-CG 4.23Å
409P87.3Confident89.1Confident20 Ų2060.3 Ų60.313%0.1334%0.341CS..PPolyproline II helixtrans-76.7157.1172.632.8-35.4000111.1L357 F377 L385L357-P409 WeakPolarHBondContact CD1-O 3.35Å; F377-P409 HydrophobicContact CB-CG 3.8Å; F377-P409 HydrophobicContact CD1-CG 4.2Å; F377-P409 VanDerWaalsContact CD2-CD 3.43Å; F377-P409 HydrophobicContact CD2-CG 3.63Å; F377-P409 HydrophobicContact CE2-CG 4.24Å; F377-P409 HydrophobicContact CG-CG 3.6Å; L385-P409 HydrophobicContact CD2-CB 4.02Å; L385-P409 HydrophobicContact CD2-CG 3.79Å
410A85.1Confident89.3Confident42 Ų4259.2 Ų59.235%0.34734%0.336SS..EExtended strand (participates in β ladder)trans-93.3142.4174.500000111.4L385 E386L385-A410 CarbonylContact C-O 3.56Å; L385-A410 WeakPolarHBondContact CA-O 3.16Å; E386-A410 PolarHBondContact N-O 3.18Å; E386-A410 PolarHBondContact O-N 2.72Å
411C89.1Confident89.4Confident11 Ų1158.5 Ų58.57%0.07432%0.324CS..EExtended strand (participates in β ladder)trans-96.5116.1164.7-72.20000110L357 A358 H359 C379 A384L357-C411 HydrophobicContact CD1-CB 4.47Å; A358-C411 WeakPolarHBondContact O-CB 3.31Å; H359-C411 HydrophobicContact CB-CB 4.45Å; C379-C411 WeakPolarHBondContact CA-SG 3.06Å; C379-C411 HydrophobicContact CB-CB 3.89Å; C379-C411 WeakPolarHBondContact CB-SG 3.15Å; C379-C411 WeakPolarHBondContact SG-CB 3.37Å; C379-C411 CovalentContact SG-SG 2.04Å; C379-C411 PolarHBondContact SG-SG 3.37Å; A384-C411 WeakPolarHBondContact O-CA 3.38Å
412K87.8Confident89.7Confident94 Ų9455.3 Ų55.341%0.40931%0.314SS..EExtended strand (participates in β ladder)trans-122.6151.8177.9-67-169.9-170.9160.40112.6Y383 A384 E386 M414Y383-K412 WeakPolarHBondContact CA-O 3.49Å; A384-K412 PolarHBondContact N-O 2.54Å; A384-K412 PolarHBondContact O-N 2.83Å; E386-K412 WeakPolarHBondContact OE2-CD 3.04Å; E386-K412 WeakPolarHBondContact OE2-CE 3.38Å; E386-K412 IonicContact OE2-NZ 3.61Å; E386-K412 PolarHBondContact OE2-NZ 2.98Å; K412-M414 PolarHBondContact O-N 2.96Å
413A90.9Very high89.9Confident5 Ų556.8 Ų56.84%0.04133%0.329CS..  trans-77108.1170.100000109.4Y383 L427 S428 D430 W431Y383-A413 HydrophobicContact CD1-CB 4.49Å; A413-L427 HydrophobicContact CB-CB 3.89Å; A413-L427 HydrophobicContact CB-CD1 4.13Å; A413-S428 VanDerWaalsContact CB-O 3.32Å; A413-S428 WeakPolarHBondContact CB-O 3.44Å; A413-D430 PolarHBondContact O-N 3.38Å; A413-W431 HydrophobicContact CB-CB 4.04Å
414M87.5Confident90.1Very high75 Ų7553.3 Ų53.337%0.36932%0.318SS..  trans-79.7142.5-170.1-60.2-61.8-81.400113A384 K412 G416 W443A384-M414 HydrophobicContact CB-CG 3.76Å; K412-M414 PolarHBondContact O-N 2.96Å; M414-G416 PolarHBondContact O-N 2.82Å; M414-W443 WeakPolarHBondContact O-CZ2 3.3Å; M414-W443 PolarHBondContact O-NE1 2.88Å
415C91.2Very high90.3Very high58 Ų5854 Ų5439%0.39232%0.323SS..SBendtrans-74.292.3170.5179.30000110.5P429 Q439 C441C415-P429 HydrophobicContact CB-CG 4.08Å; C415-Q439 PolarHBondContact SG-OE1 2.79Å; C415-C441 VanDerWaalsContact CA-SG 3.53Å; C415-C441 HydrophobicContact CB-CB 4.05Å; C415-C441 WeakPolarHBondContact CB-SG 3.34Å; C415-C441 WeakPolarHBondContact SG-CA 3.45Å; C415-C441 WeakPolarHBondContact SG-CB 3.49Å; C415-C441 CovalentContact SG-SG 2.03Å; C415-C441 PolarHBondContact SG-SG 2.97Å
416G91.6Very high90.5Very high15 Ų1550.6 Ų50.616%0.15530%0.304CS..SBendtrans86.7178.8179.900000115.1M414 V442 W443M414-G416 PolarHBondContact O-N 2.82Å; G416-V442 CarbonylContact C-O 3.57Å; G416-V442 WeakPolarHBondContact CA-O 3.33Å; G416-W443 VanDerWaalsContact C-CD1 3.42Å; G416-W443 VanDerWaalsContact N-CE2 3.28Å
417G91.1Very high90.8Very high37 Ų3747.8 Ų47.838%0.38129%0.289SS..EExtended strand (participates in β ladder)trans138.2171.6179.800000113.7V442 W443 G444G417-V442 PolarHBondContact N-O 3Å; G417-V442 VanDerWaalsContact N-O 3.08Å; G417-W443 CarbonylContact O-C 3.47Å; G417-W443 WeakPolarHBondContact O-CA 3.33Å; G417-G444 PolarHBondContact O-N 3.28Å
418E92.8Very high91.2Very high149 Ų14945.8 Ų45.870%0.69628%0.277SS*.EExtended strand (participates in β ladder)trans-100.5137.1176.5-66.9-56.1143.800111.4G444E418-G444 WeakPolarHBondContact OE2-CA 3.32Å
419L93.1Very high91.5Very high51 Ų5144.7 Ų44.727%0.26727%0.272SS..EExtended strand (participates in β ladder)trans-130105.4-173.3-62.7171.9000110.7V426 G444 V445 H446 F523L419-V426 HydrophobicContact CD1-CG2 3.76Å; L419-G444 PolarHBondContact N-O 3.5Å; L419-V445 HydrophobicContact CB-CG2 4.24Å; L419-V445 HydrophobicContact CD1-CG2 4.14Å; L419-V445 WeakPolarHBondContact O-CA 3.44Å; L419-H446 PolarHBondContact O-N 2.9Å; L419-F523 HydrophobicContact CB-CZ 4.08Å; L419-F523 HydrophobicContact CD1-CE1 4.05Å; L419-F523 HydrophobicContact CD1-CZ 4.42Å
420S93.7Very high91.3Very high90 Ų9046.5 Ų46.563%0.62928%0.281SS*.  trans-103.610.5-175.360.30000115.1H446S420-H446 WeakPolarHBondContact CA-O 3.29Å
421E92.2Very high91.3Very high116 Ų11646.8 Ų46.854%0.54227%0.273SS..SBendtrans-81.4149.2-175.2-68.5-58.1135.900112.4A423 F523E421-A423 PolarHBondContact O-N 2.91Å; E421-F523 WeakPolarHBondContact O-CE2 3.18Å
422P92.8Very high90.8Very high63 Ų6349.4 Ų49.441%0.40929%0.29SS..SBendtrans-67.9-17.9177.829.2-35.6000112.9K524 E525P422-K524 CarbonylContact O-C 3.59Å; P422-K524 WeakPolarHBondContact O-CA 3.46Å; P422-E525 HydrophobicContact CB-CG 4.03Å; P422-E525 PolarHBondContact O-N 2.87Å
423A95.4Very high90.3Very high58 Ų5848.8 Ų48.848%0.47929%0.288SS..EExtended strand (participates in β ladder)trans-155.9149.9167.900000110.7E421 F523 K524E421-A423 PolarHBondContact O-N 2.91Å; A423-F523 VanDerWaalsContact CA-O 3.3Å; A423-F523 WeakPolarHBondContact CA-O 3.39Å; A423-K524 HydrophobicContact CB-CB 3.73Å
424G93.9Very high89.7Confident17 Ų1751.9 Ų51.918%0.17531%0.31CS..EExtended strand (participates in β ladder)trans-171-167.9-179.200000113.8H522 F523G424-H522 WeakPolarHBondContact O-CA 3.34Å; G424-F523 VanDerWaalsContact C-CD1 3.47Å; G424-F523 VanDerWaalsContact CA-CE1 3.42Å; G424-F523 PolarHBondContact N-O 3Å; G424-F523 WeakPolarHBondContact O-CD1 3.49Å; G424-F523 PolarHBondContact O-N 3.08Å
425V95.1Very high89.5Confident23 Ų2349.2 Ų49.214%0.13930%0.296CS..EExtended strand (participates in β ladder)trans-132.6134-178.2-165.90000109P381 G382 L427 V520 L521P381-V425 HydrophobicContact CB-CG2 4.13Å; G382-V425 WeakPolarHBondContact CA-O 3.48Å; V425-L427 HydrophobicContact CG1-CD2 3.71Å; V425-L427 HydrophobicContact CG1-CG 4.22Å; V425-V520 HydrophobicContact CG1-CG1 3.9Å; V425-L521 CarbonylContact C-O 3.57Å; V425-L521 WeakPolarHBondContact CA-O 3.25Å
426V95.4Very high89Confident2 Ų249.3 Ų49.31%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-107.6124.6166.3-168.70000107.6L419 W443 L502 F519 L521 F523L419-V426 HydrophobicContact CD1-CG2 3.76Å; V426-W443 HydrophobicContact CG1-CB 4.46Å; V426-W443 HydrophobicContact CG1-CD2 3.64Å; V426-W443 HydrophobicContact CG1-CE3 4.14Å; V426-W443 HydrophobicContact CG1-CG 3.8Å; V426-W443 HydrophobicContact CG1-CZ2 4.29Å; V426-L502 HydrophobicContact CG2-CD2 4.34Å; V426-F519 HydrophobicContact CG1-CE2 4.37Å; V426-L521 HydrophobicContact CB-CB 4.31Å; V426-L521 HydrophobicContact CB-CD1 4.38Å; V426-L521 PolarHBondContact N-O 3.31Å; V426-L521 PolarHBondContact O-N 3.44Å; V426-F523 HydrophobicContact CG2-CD1 4.11Å; V426-F523 HydrophobicContact CG2-CE1 4.26Å
427L93.4Very high88.5Confident11 Ų1151 Ų516%0.05831%0.305CS..EExtended strand (participates in β ladder)trans-107.6156.1179.4-59.4176.7000109.4Y383 A413 V425 W431 F519 V520Y383-L427 HydrophobicContact CD2-CD1 3.82Å; Y383-L427 HydrophobicContact CE1-CD1 4.27Å; Y383-L427 HydrophobicContact CE2-CD1 3.44Å; Y383-L427 VanDerWaalsContact CE2-CD1 3.44Å; Y383-L427 HydrophobicContact CG-CD1 4.38Å; A413-L427 HydrophobicContact CB-CB 3.89Å; A413-L427 HydrophobicContact CB-CD1 4.13Å; V425-L427 HydrophobicContact CG1-CD2 3.71Å; V425-L427 HydrophobicContact CG1-CG 4.22Å; L427-W431 HydrophobicContact CB-CB 3.95Å; L427-W431 HydrophobicContact CB-CG 4.22Å; L427-W431 HydrophobicContact CD1-CB 4.39Å; L427-W431 HydrophobicContact CD1-CG 4.3Å; L427-W431 HydrophobicContact CD2-CD2 4.49Å; L427-W431 HydrophobicContact CD2-CG 4.14Å; L427-W431 HydrophobicContact CG-CG 4.46Å; L427-F519 VanDerWaalsContact C-CE2 3.45Å; L427-F519 WeakPolarHBondContact O-CE2 3.38Å; L427-V520 HydrophobicContact CD2-CB 4.31Å; L427-V520 HydrophobicContact CD2-CG1 3.99Å; L427-V520 HydrophobicContact CD2-CG2 3.89Å
428S91.9Very high88.3Confident0 Ų051.4 Ų51.40%031%0.309CS..  trans-65.2155.4163.959.50000110.5A413 W431 G518 F519A413-S428 VanDerWaalsContact CB-O 3.32Å; A413-S428 WeakPolarHBondContact CB-O 3.44Å; S428-W431 VanDerWaalsContact O-CB 3.29Å; S428-W431 WeakPolarHBondContact O-CB 3.44Å; S428-W431 PolarHBondContact O-N 3.46Å; S428-G518 WeakPolarHBondContact OG-CA 3.4Å; S428-F519 PolarHBondContact N-O 2.88Å; S428-F519 VanDerWaalsContact N-O 3.08Å; S428-F519 PolarHBondContact OG-N 3.17Å
429P89.9Confident88Confident2 Ų246.6 Ų46.61%0.01329%0.287CS..THydrogen-bonded Turntrans-49.9145.6171.1-25.934.9000111.6C415 W431 Y435 Q439 C441C415-P429 HydrophobicContact CB-CG 4.08Å; P429-W431 PolarHBondContact O-N 2.93Å; P429-Y435 WeakPolarHBondContact O-CB 3.42Å; P429-Q439 HydrophobicContact CG-CG 4.45Å; P429-C441 WeakPolarHBondContact CG-SG 3.22Å
430D83.1Confident88Confident57 Ų5748.4 Ų48.431%0.30530%0.297SS..THydrogen-bonded Turntrans62.93.5176.5-45.3-53000115.8A413 Q433 S436A413-D430 PolarHBondContact O-N 3.38Å; D430-Q433 HydrophobicContact CB-CB 4.28Å; D430-Q433 WeakPolarHBondContact O-CA 2.97Å; D430-Q433 WeakPolarHBondContact O-CB 3.38Å; D430-Q433 WeakPolarHBondContact O-CG 3.49Å; D430-Q433 PolarHBondContact O-N 3.22Å; D430-S436 PolarHBondContact OD2-N 2.99Å
431W86.3Confident88Confident49 Ų4944.2 Ų44.219%0.18627%0.267CS..THydrogen-bonded Turntrans-51.6134.7179.4-178.4-79.8000111.7Y383 A413 L427 S428 P429 I459 Q517 V520Y383-W431 VanDerWaalsContact CE1-O 3.31Å; Y383-W431 WeakPolarHBondContact CE1-O 3.05Å; A413-W431 HydrophobicContact CB-CB 4.04Å; L427-W431 HydrophobicContact CB-CB 3.95Å; L427-W431 HydrophobicContact CB-CG 4.22Å; L427-W431 HydrophobicContact CD1-CB 4.39Å; L427-W431 HydrophobicContact CD1-CG 4.3Å; L427-W431 HydrophobicContact CD2-CD2 4.49Å; L427-W431 HydrophobicContact CD2-CG 4.14Å; L427-W431 HydrophobicContact CG-CG 4.46Å; S428-W431 VanDerWaalsContact O-CB 3.29Å; S428-W431 WeakPolarHBondContact O-CB 3.44Å; S428-W431 PolarHBondContact O-N 3.46Å; P429-W431 PolarHBondContact O-N 2.93Å; W431-I459 HydrophobicContact CH2-CB 4.49Å; W431-I459 HydrophobicContact CH2-CD1 3.77Å; W431-I459 HydrophobicContact CH2-CG2 4.17Å; W431-I459 HydrophobicContact CZ2-CD1 4.1Å; W431-I459 HydrophobicContact CZ3-CG2 4.46Å; W431-Q517 WeakPolarHBondContact CZ3-O 3.05Å; W431-V520 HydrophobicContact CD2-CG2 3.95Å; W431-V520 HydrophobicContact CE3-CG2 4.04Å; W431-V520 HydrophobicContact CH2-CG2 3.5Å; W431-V520 VanDerWaalsContact CH2-CG2 3.5Å; W431-V520 HydrophobicContact CZ2-CG2 3.34Å; W431-V520 HydrophobicContact CZ3-CG2 3.82Å
432P78.1Confident88.2Confident66 Ų6641.3 Ų41.343%0.42926%0.258SS..THydrogen-bonded Turncis-85.28.711.435.3-38.2000115.8H359H359-P432 WeakPolarHBondContact NE2-CD 3.45Å
433Q76.7Confident88.3Confident81 Ų8139 Ų3938%0.37924%0.241SC..SBendtrans-74.2172.4175.4-49.1-76.641.300111.4R282 D430R282-Q433 VanDerWaalsContact CZ-NE2 3.32Å; R282-Q433 VanDerWaalsContact CZ-OE1 3.26Å; D430-Q433 HydrophobicContact CB-CB 4.28Å; D430-Q433 WeakPolarHBondContact O-CA 2.97Å; D430-Q433 WeakPolarHBondContact O-CB 3.38Å; D430-Q433 WeakPolarHBondContact O-CG 3.49Å; D430-Q433 PolarHBondContact O-N 3.22Å
434S77.6Confident88.4Confident70 Ų7036.4 Ų36.449%0.4922%0.22SC..PPolyproline II helixtrans-72.3129167.7-58.40000109.7
435Y84.4Confident88.5Confident18 Ų1835.8 Ų35.87%0.07121%0.213CC..PPolyproline II helixtrans-63.6144.8175.856.4-92.3000111.4P429 V462 R463 D466 F504 A506P429-Y435 WeakPolarHBondContact O-CB 3.42Å; Y435-V462 WeakPolarHBondContact OH-CA 3.31Å; Y435-R463 PolarHBondContact OH-N 3Å; Y435-D466 VanDerWaalsContact CE2-OD2 3.27Å; Y435-D466 WeakPolarHBondContact CE2-OD2 3.08Å; Y435-D466 PolarHBondContact OH-OD2 3.36Å; Y435-F504 HydrophobicContact CD1-CE1 4.47Å; Y435-F504 HydrophobicContact CD1-CZ 4.33Å; Y435-F504 AromaticContact CD2-CE1 3.79Å; Y435-F504 HydrophobicContact CD2-CE1 3.79Å; Y435-F504 AromaticContact CD2-CZ 3.84Å; Y435-F504 HydrophobicContact CD2-CZ 3.84Å; Y435-F504 HydrophobicContact CE1-CZ 4.06Å; Y435-F504 AromaticContact CE2-CE1 3.99Å; Y435-F504 HydrophobicContact CE2-CE1 3.99Å; Y435-F504 AromaticContact CE2-CZ 3.54Å; Y435-F504 HydrophobicContact CE2-CZ 3.54Å; Y435-F504 HydrophobicContact CG-CE1 4.06Å; Y435-F504 HydrophobicContact CG-CZ 4.23Å; Y435-F504 AromaticContact CZ-CZ 3.65Å; Y435-A506 HydrophobicContact CD2-CB 4.21Å; Y435-A506 HydrophobicContact CE2-CB 3.94Å
436S81.1Confident88.5Confident60 Ų6038.3 Ų38.342%0.4222%0.223SC..PPolyproline II helixtrans-65.5151177-64.80000113.2D430 Q439D430-S436 PolarHBondContact OD2-N 2.99Å; S436-Q439 WeakPolarHBondContact O-CG 3.45Å
437P81.6Confident88.5Confident50 Ų5038.5 Ų38.533%0.32522%0.224SC..THydrogen-bonded Turntrans-72.5150172.331.2-34.9000111.6G509P437-G509 WeakPolarHBondContact CB-O 3.39Å; P437-G509 WeakPolarHBondContact CG-O 3.5Å
438G84.9Confident88.4Confident46 Ų4642.8 Ų42.847%0.47424%0.244SC..THydrogen-bonded Turntrans91.78.9178.400000115.6A506G438-A506 CarbonylContact C-O 3.45Å; G438-A506 WeakPolarHBondContact CA-O 3.42Å; G438-A506 PolarHBondContact N-O 3.44Å
439Q88.3Confident88Confident48 Ų4848.7 Ų48.722%0.22427%0.272CS..  trans-75.6138.5179.8-62.1-74.91400112.3C415 P429 S436 A506C415-Q439 PolarHBondContact SG-OE1 2.79Å; P429-Q439 HydrophobicContact CG-CG 4.45Å; S436-Q439 WeakPolarHBondContact O-CG 3.45Å; Q439-A506 HydrophobicContact CB-CB 4.3Å; Q439-A506 PolarHBondContact N-O 3.05Å; Q439-A506 PolarHBondContact O-N 3.18Å
440D92.4Very high87.5Confident90 Ų9054.4 Ų54.448%0.48130%0.298SS..EExtended strand (participates in β ladder)trans-133.792.7164.6-168.3-2.1000108.3Q503 F504 Q505D440-Q503 PolarHBondContact OD1-NE2 3.07Å; D440-Q503 PolarHBondContact OD2-NE2 2.98Å; D440-F504 CarbonylContact C-O 3.6Å; D440-F504 WeakPolarHBondContact CA-O 3.19Å; D440-Q505 HydrophobicContact CB-CG 4.45Å; D440-Q505 VanDerWaalsContact OD1-CG 3.25Å; D440-Q505 WeakPolarHBondContact OD1-CG 3.03Å; D440-Q505 PolarHBondContact OD2-NE2 2.99Å
441C93.9Very high87.6Confident1 Ų154.4 Ų54.41%0.00730%0.296CS..EExtended strand (participates in β ladder)trans-107131.9-170.8-52.30000110.5C415 P429 W443 Q503 F504C415-C441 VanDerWaalsContact CA-SG 3.53Å; C415-C441 HydrophobicContact CB-CB 4.05Å; C415-C441 WeakPolarHBondContact CB-SG 3.34Å; C415-C441 WeakPolarHBondContact SG-CA 3.45Å; C415-C441 WeakPolarHBondContact SG-CB 3.49Å; C415-C441 CovalentContact SG-SG 2.03Å; C415-C441 PolarHBondContact SG-SG 2.97Å; P429-C441 WeakPolarHBondContact CG-SG 3.22Å; C441-W443 HydrophobicContact CB-CE3 4.3Å; C441-W443 HydrophobicContact CB-CH2 3.32Å; C441-W443 HydrophobicContact CB-CZ2 3.91Å; C441-W443 HydrophobicContact CB-CZ3 3.55Å; C441-Q503 CarbonylContact O-C 3.47Å; C441-Q503 VanDerWaalsContact O-CA 3.31Å; C441-Q503 WeakPolarHBondContact O-CA 3.17Å; C441-F504 PolarHBondContact N-O 3.5Å; C441-F504 PolarHBondContact O-N 3.5Å
442V95.7Very high87.8Confident56 Ų5653 Ų5334%0.33929%0.29SS..EExtended strand (participates in β ladder)trans-121.9122.8177.9-177.70000110.1G416 G417 T501 L502 Q503G416-V442 CarbonylContact C-O 3.57Å; G416-V442 WeakPolarHBondContact CA-O 3.33Å; G417-V442 PolarHBondContact N-O 3Å; G417-V442 VanDerWaalsContact N-O 3.08Å; V442-T501 HydrophobicContact CG1-CG2 3.77Å; V442-L502 CarbonylContact C-O 3.58Å; V442-L502 WeakPolarHBondContact CA-O 3.37Å; V442-Q503 HydrophobicContact CG2-CB 4.31Å; V442-Q503 HydrophobicContact CG2-CG 3.93Å
443W96.3Very high88.5Confident13 Ų1350 Ų505%0.04927%0.27CS..EExtended strand (participates in β ladder)trans-111.5124.7171.2-57.4-97.4000110.1M414 G416 G417 V426 C441 L502 F504 F519M414-W443 WeakPolarHBondContact O-CZ2 3.3Å; M414-W443 PolarHBondContact O-NE1 2.88Å; G416-W443 VanDerWaalsContact C-CD1 3.42Å; G416-W443 VanDerWaalsContact N-CE2 3.28Å; G417-W443 CarbonylContact O-C 3.47Å; G417-W443 WeakPolarHBondContact O-CA 3.33Å; V426-W443 HydrophobicContact CG1-CB 4.46Å; V426-W443 HydrophobicContact CG1-CD2 3.64Å; V426-W443 HydrophobicContact CG1-CE3 4.14Å; V426-W443 HydrophobicContact CG1-CG 3.8Å; V426-W443 HydrophobicContact CG1-CZ2 4.29Å; C441-W443 HydrophobicContact CB-CE3 4.3Å; C441-W443 HydrophobicContact CB-CH2 3.32Å; C441-W443 HydrophobicContact CB-CZ2 3.91Å; C441-W443 HydrophobicContact CB-CZ3 3.55Å; W443-L502 HydrophobicContact CB-CB 4.43Å; W443-L502 HydrophobicContact CB-CD1 4.41Å; W443-L502 HydrophobicContact CE3-CB 4.24Å; W443-L502 PolarHBondContact N-O 3.21Å; W443-L502 PolarHBondContact O-N 2.99Å; W443-F504 HydrophobicContact CH2-CB 4.11Å; W443-F504 HydrophobicContact CZ3-CB 3.71Å; W443-F519 HydrophobicContact CH2-CE2 4.42Å; W443-F519 AromaticContact CH2-CZ 3.76Å; W443-F519 HydrophobicContact CH2-CZ 3.76Å; W443-F519 HydrophobicContact CZ3-CZ 4Å
444G96Very high89.4Confident5 Ų547.9 Ų47.95%0.05226%0.261CS..EExtended strand (participates in β ladder)trans-87.2135.7164.300000110G417 E418 L419G417-G444 PolarHBondContact O-N 3.28Å; E418-G444 WeakPolarHBondContact OE2-CA 3.32Å; L419-G444 PolarHBondContact N-O 3.5Å
445V96.4Very high90.2Very high4 Ų444.7 Ų44.72%0.02424%0.239CC..EExtended strand (participates in β ladder)trans-124.7123.1172-172.60000108.3L419 I453 D499 L500 L502 F523L419-V445 HydrophobicContact CB-CG2 4.24Å; L419-V445 HydrophobicContact CD1-CG2 4.14Å; L419-V445 WeakPolarHBondContact O-CA 3.44Å; V445-I453 HydrophobicContact CB-CD1 3.98Å; V445-I453 HydrophobicContact CG1-CD1 3.64Å; V445-I453 WeakPolarHBondContact O-CD1 3.49Å; V445-D499 CarbonylContact O-C 3.58Å; V445-D499 WeakPolarHBondContact O-CA 3.5Å; V445-L500 HydrophobicContact CB-CB 4.42Å; V445-L500 WeakPolarHBondContact CB-O 3.44Å; V445-L500 PolarHBondContact N-O 3Å; V445-L500 PolarHBondContact O-N 3.23Å; V445-L502 HydrophobicContact CG2-CD1 3.46Å; V445-L502 VanDerWaalsContact CG2-CD1 3.46Å; V445-F523 HydrophobicContact CG1-CD2 3.52Å; V445-F523 HydrophobicContact CG1-CE1 4.48Å; V445-F523 HydrophobicContact CG1-CE2 3.48Å; V445-F523 VanDerWaalsContact CG1-CE2 3.48Å; V445-F523 HydrophobicContact CG1-CG 4.06Å; V445-F523 HydrophobicContact CG1-CZ 4Å
446H95.5Very high90.6Very high76 Ų7646.1 Ų46.135%0.35225%0.246SC..EExtended strand (participates in β ladder)trans-128.6127.4-178.3174.380.4000109.4L419 S420 D499L419-H446 PolarHBondContact O-N 2.9Å; S420-H446 WeakPolarHBondContact CA-O 3.29Å; H446-D499 IonicContact CE1-OD1 2.7Å; H446-D499 IonicContact CG-OD1 3.38Å; H446-D499 IonicContact ND1-OD1 3.52Å; H446-D499 PolarHBondContact ND1-OD1 3.08Å
447V94.8Very high91.1Very high6 Ų643.4 Ų43.44%0.03623%0.227CC..  trans-117.5178.9172.3-60.90000110.5E449 K451 I453 P498 E525V447-E449 PolarHBondContact O-N 3.06Å; V447-K451 HydrophobicContact CG2-CB 3.88Å; V447-I453 HydrophobicContact CB-CG1 4.39Å; V447-I453 HydrophobicContact CG1-CD1 4.25Å; V447-I453 HydrophobicContact CG1-CG1 3.87Å; V447-I453 HydrophobicContact CG2-CD1 4.27Å; V447-I453 HydrophobicContact CG2-CG1 3.63Å; V447-P498 HydrophobicContact CG2-CB 4.32Å; V447-P498 WeakPolarHBondContact CG2-O 3.28Å; V447-P498 PolarHBondContact N-O 2.86Å; V447-P498 WeakPolarHBondContact O-CB 3.47Å; V447-E525 HydrophobicContact CB-CB 4.2Å; V447-E525 HydrophobicContact CG1-CB 4.18Å; V447-E525 HydrophobicContact CG2-CB 4.35Å
448Q90.9Very high91.4Very high100 Ų10043.8 Ų43.847%0.46722%0.224SC..  trans-51.8136.8177.7-63.416340.800112E450 K451 E525Q448-E450 PolarHBondContact O-N 2.03Å; Q448-K451 HydrophobicContact CB-CG 3.75Å; Q448-K451 VanDerWaalsContact O-CB 3.31Å; Q448-K451 WeakPolarHBondContact O-CB 3.46Å; Q448-K451 WeakPolarHBondContact O-CG 3.32Å; Q448-K451 PolarHBondContact O-N 3.44Å; Q448-K451 VanDerWaalsContact OE1-CE 3.23Å; Q448-E525 PolarHBondContact NE2-OE2 3Å
449E85Confident91.5Very high125 Ų12544.6 Ų44.658%0.58422%0.217SC*.THydrogen-bonded Turntrans-46.5-38.9-173.6-67.3-79.2-179.100114.7V447 K451V447-E449 PolarHBondContact O-N 3.06Å; E449-K451 VanDerWaalsContact C-N 3.29Å; E449-K451 PolarHBondContact O-N 3.47Å
450E78.1Confident91.4Very high122 Ų12242.7 Ų42.757%0.5721%0.209SC*.THydrogen-bonded Turntrans-82.21.2-178-59.476.7-165.600114.4Q448Q448-E450 PolarHBondContact O-N 2.03Å
451K85.8Confident91Very high57 Ų5740.3 Ų40.325%0.24820%0.196CC..EExtended strand (participates in β ladder)trans-102.5-178.6-175.6-50.2-61-174.9-155.10112.7V447 Q448 E449 G497 E525V447-K451 HydrophobicContact CG2-CB 3.88Å; Q448-K451 HydrophobicContact CB-CG 3.75Å; Q448-K451 VanDerWaalsContact O-CB 3.31Å; Q448-K451 WeakPolarHBondContact O-CB 3.46Å; Q448-K451 WeakPolarHBondContact O-CG 3.32Å; Q448-K451 PolarHBondContact O-N 3.44Å; Q448-K451 VanDerWaalsContact OE1-CE 3.23Å; E449-K451 VanDerWaalsContact C-N 3.29Å; E449-K451 PolarHBondContact O-N 3.47Å; K451-G497 CarbonylContact O-C 3.43Å; K451-E525 HydrophobicContact CB-CB 4.23Å; K451-E525 HydrophobicContact CG-CB 4.3Å
452R89.7Confident90.5Very high20 Ų2040.4 Ų40.48%0.07520%0.196CC..EExtended strand (participates in β ladder)trans-131158.8164.9-78.7173.2171.3157.46.5109.4L494 S495 S496 E525 V526 R528 D530R452-L494 HydrophobicContact CB-CD1 3.99Å; R452-S495 WeakPolarHBondContact CD-O 3.32Å; R452-S495 VanDerWaalsContact CG-O 3.32Å; R452-S495 WeakPolarHBondContact CG-O 3.5Å; R452-S495 PolarHBondContact NE-O 2.83Å; R452-S496 PolarHBondContact NE-O 2.9Å; R452-S496 PolarHBondContact NH2-O 3.29Å; R452-S496 VanDerWaalsContact NH2-O 3.16Å; R452-E525 CarbonylContact O-C 3.51Å; R452-E525 WeakPolarHBondContact O-CA 3.25Å; R452-V526 HydrophobicContact CB-CG2 4.03Å; R452-V526 PolarHBondContact N-O 2.94Å; R452-V526 WeakPolarHBondContact O-CG2 3.27Å; R452-V526 PolarHBondContact O-N 3.26Å; R452-R528 HydrophobicContact CG-CG 4.12Å; R452-D530 IonicContact CZ-OD1 3.63Å; R452-D530 IonicContact CZ-OD2 3.69Å; R452-D530 VanDerWaalsContact NH1-CG 3.26Å; R452-D530 IonicContact NH1-OD1 3.44Å; R452-D530 PolarHBondContact NH1-OD1 2.91Å; R452-D530 IonicContact NH1-OD2 3.8Å; R452-D530 VanDerWaalsContact NH2-CG 3.3Å; R452-D530 IonicContact NH2-OD1 3.8Å; R452-D530 PolarHBondContact NH2-OD1 3.27Å; R452-D530 IonicContact NH2-OD2 3.59Å; R452-D530 PolarHBondContact NH2-OD2 3.5Å
453I94.4Very high89.7Confident1 Ų139.6 Ų39.61%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-97.4121.6174.5-60.1169.7000108.8V445 V447 L494 S495 P498 L500 F523V445-I453 HydrophobicContact CB-CD1 3.98Å; V445-I453 HydrophobicContact CG1-CD1 3.64Å; V445-I453 WeakPolarHBondContact O-CD1 3.49Å; V447-I453 HydrophobicContact CB-CG1 4.39Å; V447-I453 HydrophobicContact CG1-CD1 4.25Å; V447-I453 HydrophobicContact CG1-CG1 3.87Å; V447-I453 HydrophobicContact CG2-CD1 4.27Å; V447-I453 HydrophobicContact CG2-CG1 3.63Å; I453-L494 WeakPolarHBondContact O-CA 3.36Å; I453-S495 PolarHBondContact N-OG 2.88Å; I453-S495 PolarHBondContact O-N 2.84Å; I453-P498 WeakPolarHBondContact CD1-O 3.24Å; I453-L500 HydrophobicContact CB-CB 4.35Å; I453-L500 HydrophobicContact CB-CD2 4.33Å; I453-L500 HydrophobicContact CD1-CB 3.53Å; I453-L500 HydrophobicContact CG2-CD2 3.72Å; I453-F523 HydrophobicContact CG2-CB 3.92Å
454L93.8Very high88.8Confident37 Ų3747.8 Ų47.819%0.19423%0.226CC..EExtended strand (participates in β ladder)trans-93109.3165.3-176.978.1000108.8R492 L493 L494 F523 K524 V526L454-R492 HydrophobicContact CD1-CB 4.34Å; L454-L493 WeakPolarHBondContact CA-O 3.37Å; L454-L494 HydrophobicContact CB-CD1 4.34Å; L454-L494 HydrophobicContact CD1-CD1 4.22Å; L454-F523 WeakPolarHBondContact O-CA 3.43Å; L454-K524 HydrophobicContact CB-CG 4.35Å; L454-K524 PolarHBondContact N-O 2.84Å; L454-K524 PolarHBondContact O-N 2.75Å; L454-K524 VanDerWaalsContact O-N 3.11Å; L454-V526 HydrophobicContact CB-CG1 3.75Å; L454-V526 HydrophobicContact CB-CG2 4.02Å; L454-V526 HydrophobicContact CD2-CG1 4.27Å
455L95Very high88Confident3 Ų350.4 Ų50.42%0.01625%0.253CS..EExtended strand (participates in β ladder)trans-92.7132.1172.4-168.575.3000110L470 R492 L493 L500 L502 L521 H522 F523L455-L470 HydrophobicContact CD2-CD1 3.58Å; L455-L470 HydrophobicContact CD2-CD2 3.85Å; L455-L470 HydrophobicContact CD2-CG 4.36Å; L455-R492 CarbonylContact O-C 3.59Å; L455-R492 WeakPolarHBondContact O-CA 3.37Å; L455-L493 HydrophobicContact CB-CB 4.45Å; L455-L493 PolarHBondContact N-O 2.86Å; L455-L493 PolarHBondContact O-N 3.36Å; L455-L500 HydrophobicContact CB-CD2 4.16Å; L455-L500 HydrophobicContact CD1-CD2 4.26Å; L455-L500 HydrophobicContact CD2-CD2 4.34Å; L455-L500 HydrophobicContact CG-CD2 4.49Å; L455-L502 HydrophobicContact CD1-CD2 4.35Å; L455-L502 HydrophobicContact CD2-CD2 4.24Å; L455-L521 HydrophobicContact CD1-CB 4.03Å; L455-H522 CarbonylContact C-O 3.5Å; L455-H522 WeakPolarHBondContact CA-O 3.38Å; L455-F523 HydrophobicContact CD1-CB 3.84Å
456Q93.3Very high87.6Confident48 Ų4850.3 Ų50.322%0.22425%0.252CS..EExtended strand (participates in β ladder)trans-118.6118.2172.4-179.6176.4-73.400109.8E458 R492 H522Q456-E458 PolarHBondContact NE2-OE2 2.89Å; Q456-E458 PolarHBondContact O-N 3.39Å; Q456-R492 HydrophobicContact CB-CG 4.21Å; Q456-R492 HydrophobicContact CG-CG 4.18Å; Q456-R492 VanDerWaalsContact OE1-CZ 3.28Å; Q456-H522 PolarHBondContact N-O 2.89Å; Q456-H522 PolarHBondContact O-N 3.4Å
457V91.6Very high87.3Confident4 Ų448.1 Ų48.12%0.02424%0.243CC..EExtended strand (participates in β ladder)trans-74.3113.1168.2-173.10000108.1L460 L484 R490 R491 L521V457-L460 HydrophobicContact CG1-CB 3.76Å; V457-L484 HydrophobicContact CG2-CD1 3.93Å; V457-R490 WeakPolarHBondContact O-CA 3.39Å; V457-R491 PolarHBondContact N-O 2.67Å; V457-L521 HydrophobicContact CB-CD2 4.25Å; V457-L521 HydrophobicContact CG1-CD2 4.06Å; V457-L521 HydrophobicContact CG2-CD2 4Å
458E87.9Confident87.3Confident57 Ų5747.9 Ų47.927%0.26624%0.241SC..EExtended strand (participates in β ladder)trans-92-47.9177.2177.490.4-161.100110.2Q456 R490 V520Q456-E458 PolarHBondContact NE2-OE2 2.89Å; Q456-E458 PolarHBondContact O-N 3.39Å; E458-R490 VanDerWaalsContact CD-CZ 3.41Å; E458-R490 VanDerWaalsContact CD-NH2 3.29Å; E458-R490 WeakPolarHBondContact O-CG 3.31Å; E458-R490 PolarHBondContact O-NE 2.94Å; E458-R490 IonicContact OE1-CZ 2.84Å; E458-R490 IonicContact OE1-NH1 3.58Å; E458-R490 PolarHBondContact OE1-NH1 2.68Å; E458-R490 IonicContact OE1-NH2 3.81Å; E458-R490 PolarHBondContact OE1-NH2 3.11Å; E458-R490 IonicContact OE2-CZ 3.57Å; E458-R490 IonicContact OE2-NH1 2.76Å; E458-R490 PolarHBondContact OE2-NH1 2.76Å; E458-R490 VanDerWaalsContact OE2-NH1 3.17Å; E458-V520 HydrophobicContact CB-CB 4.31Å; E458-V520 HydrophobicContact CB-CG1 4.2Å; E458-V520 WeakPolarHBondContact CB-O 3.5Å; E458-V520 HydrophobicContact CG-CG1 4.38Å; E458-V520 PolarHBondContact N-O 2.96Å
459I86.1Confident87.4Confident64 Ų6443.3 Ų43.333%0.32822%0.22SC..EExtended strand (participates in β ladder)trans-134.3136.9174.7-57.7176.9000108W431 F519 V520W431-I459 HydrophobicContact CH2-CB 4.49Å; W431-I459 HydrophobicContact CH2-CD1 3.77Å; W431-I459 HydrophobicContact CH2-CG2 4.17Å; W431-I459 HydrophobicContact CZ2-CD1 4.1Å; W431-I459 HydrophobicContact CZ3-CG2 4.46Å; I459-F519 CarbonylContact O-C 3.47Å; I459-F519 VanDerWaalsContact O-CA 3.32Å; I459-F519 WeakPolarHBondContact O-CA 3.3Å; I459-F519 WeakPolarHBondContact O-CB 3.28Å; I459-V520 HydrophobicContact CB-CB 4.09Å; I459-V520 HydrophobicContact CB-CG2 4.16Å; I459-V520 HydrophobicContact CD1-CG2 4.1Å; I459-V520 HydrophobicContact CG1-CB 4.41Å; I459-V520 HydrophobicContact CG1-CG2 4.4Å; I459-V520 PolarHBondContact N-O 3.33Å; I459-V520 PolarHBondContact O-N 3.26Å
460L87.7Confident87.9Confident8 Ų837.4 Ų37.44%0.04219%0.192CC..EExtended strand (participates in β ladder)trans-145.4111.8165.3-178.792.3000106.5V457 V462 L468 L484 G486 P487 Q488 F519V457-L460 HydrophobicContact CG1-CB 3.76Å; L460-V462 HydrophobicContact CD1-CG1 4.13Å; L460-L468 HydrophobicContact CD1-CB 4.46Å; L460-L468 HydrophobicContact CD1-CD2 3.82Å; L460-L484 HydrophobicContact CD1-CB 4.24Å; L460-L484 HydrophobicContact CD2-CB 3.81Å; L460-G486 VanDerWaalsContact CD2-O 3.25Å; L460-G486 WeakPolarHBondContact CD2-O 3.36Å; L460-P487 WeakPolarHBondContact O-CA 3.38Å; L460-Q488 HydrophobicContact CD2-CB 3.69Å; L460-Q488 HydrophobicContact CD2-CG 3.48Å; L460-Q488 VanDerWaalsContact CD2-CG 3.48Å; L460-F519 HydrophobicContact CD1-CB 3.98Å
461N83.9Confident88.8Confident40 Ų4032.4 Ų32.421%0.21417%0.169CC..BIsolated β-bridgetrans-139.364.6176.3-169.812.7000109.1G516 Q517 G518N461-G516 CarbonylContact O-C 3.56Å; N461-G516 WeakPolarHBondContact O-CA 3.35Å; N461-Q517 HydrophobicContact CB-CB 3.99Å; N461-Q517 WeakPolarHBondContact ND2-CB 3.41Å; N461-Q517 PolarHBondContact ND2-OE1 3.06Å; N461-Q517 CarbonylContact O-C 3.54Å; N461-Q517 PolarHBondContact O-N 2.7Å; N461-G518 CarbonylContact C-O 3.46Å; N461-G518 PolarHBondContact N-O 2.87Å; N461-G518 PolarHBondContact O-N 2.82Å
462V83.5Confident89.2Confident2 Ų230.7 Ų30.71%0.01216%0.162CC..PPolyproline II helixtrans-88.9141.8179.5-590000110.8Y435 L460 D466 G486 F504 F519Y435-V462 WeakPolarHBondContact OH-CA 3.31Å; L460-V462 HydrophobicContact CD1-CG1 4.13Å; V462-D466 HydrophobicContact CB-CB 4.25Å; V462-G486 WeakPolarHBondContact O-CA 3.42Å; V462-F504 HydrophobicContact CB-CE2 4.36Å; V462-F504 HydrophobicContact CG1-CE2 3.84Å; V462-F504 HydrophobicContact CG1-CZ 4.4Å; V462-F519 HydrophobicContact CG1-CD1 3.99Å
463R78.8Confident89.3Confident40 Ų4030.4 Ų30.415%0.15117%0.166CC..PPolyproline II helixtrans-58.4151.1-179.3144-170.380.6152.716.5111.8Y435 G465 D466 P507Y435-R463 PolarHBondContact OH-N 3Å; R463-G465 PolarHBondContact O-N 3.36Å; R463-D466 VanDerWaalsContact CB-OD2 3.29Å; R463-D466 WeakPolarHBondContact CB-OD2 3.4Å; R463-D466 IonicContact CZ-OD1 2.59Å; R463-D466 VanDerWaalsContact CZ-OD1 3.29Å; R463-D466 IonicContact CZ-OD2 3.89Å; R463-D466 VanDerWaalsContact NE-CG 3.32Å; R463-D466 IonicContact NE-OD1 2.92Å; R463-D466 PolarHBondContact NE-OD1 2.57Å; R463-D466 IonicContact NE-OD2 2.76Å; R463-D466 PolarHBondContact NE-OD2 3.21Å; R463-D466 IonicContact NH2-OD1 2.76Å; R463-D466 PolarHBondContact NH2-OD1 2.92Å; R463-D466 IonicContact NH2-OD2 2.71Å; R463-D466 WeakPolarHBondContact O-CB 3.14Å; R463-D466 PolarHBondContact O-N 2.84Å; R463-P507 PolarHBondContact NH2-O 2.89Å
464E76.6Confident89.2Confident185 Ų18536.3 Ų36.386%0.86420%0.197SC*.THydrogen-bonded Turntrans-60.2122.5175.7-173.2170.1-155.500111.2
465G78.9Confident89Confident60 Ų6035.3 Ų35.362%0.61920%0.196SC*.THydrogen-bonded Turntrans103.3-21.5-173.100000114.3R463R463-G465 PolarHBondContact O-N 3.36Å
466D87.9Confident88.6Confident1 Ų138.3 Ų38.31%0.00522%0.215CC..  trans-80.4155.6173.9-57.4-21.8000111.1Y435 V462 R463 F504 Q505 A506 P507Y435-D466 VanDerWaalsContact CE2-OD2 3.27Å; Y435-D466 WeakPolarHBondContact CE2-OD2 3.08Å; Y435-D466 PolarHBondContact OH-OD2 3.36Å; V462-D466 HydrophobicContact CB-CB 4.25Å; R463-D466 VanDerWaalsContact CB-OD2 3.29Å; R463-D466 WeakPolarHBondContact CB-OD2 3.4Å; R463-D466 IonicContact CZ-OD1 2.59Å; R463-D466 VanDerWaalsContact CZ-OD1 3.29Å; R463-D466 IonicContact CZ-OD2 3.89Å; R463-D466 VanDerWaalsContact NE-CG 3.32Å; R463-D466 IonicContact NE-OD1 2.92Å; R463-D466 PolarHBondContact NE-OD1 2.57Å; R463-D466 IonicContact NE-OD2 2.76Å; R463-D466 PolarHBondContact NE-OD2 3.21Å; R463-D466 IonicContact NH2-OD1 2.76Å; R463-D466 PolarHBondContact NH2-OD1 2.92Å; R463-D466 IonicContact NH2-OD2 2.71Å; R463-D466 WeakPolarHBondContact O-CB 3.14Å; R463-D466 PolarHBondContact O-N 2.84Å; D466-F504 HydrophobicContact CB-CE2 4.14Å; D466-F504 HydrophobicContact CB-CZ 4.39Å; D466-Q505 WeakPolarHBondContact CA-O 3.46Å; D466-A506 VanDerWaalsContact OD1-CA 3.3Å; D466-A506 WeakPolarHBondContact OD1-CA 3.02Å; D466-P507 VanDerWaalsContact OD1-CD 3.28Å; D466-P507 WeakPolarHBondContact OD1-CD 3.41Å
467M90.6Very high88.4Confident31 Ų3141.5 Ų41.515%0.15324%0.243CC..EExtended strand (participates in β ladder)trans-146.6129.3-175.7-177.2172.763.600112.7Q483 R485 Q505M467-Q483 HydrophobicContact CG-CB 4.47Å; M467-Q483 HydrophobicContact SD-CB 4.14Å; M467-Q483 HydrophobicContact SD-CG 3.9Å; M467-R485 HydrophobicContact CB-CG 4.3Å; M467-R485 HydrophobicContact CG-CG 4.2Å; M467-R485 PolarHBondContact SD-NH2 3.45Å; M467-Q505 PolarHBondContact N-O 2.72Å; M467-Q505 PolarHBondContact O-N 3Å
468L93.3Very high88.3Confident0 Ų042.6 Ų42.60%025%0.253CS..EExtended strand (participates in β ladder)trans-101.5114.9165.3172.467.7000108.7L460 L470 L484 Q503 F504 F519 L521L460-L468 HydrophobicContact CD1-CB 4.46Å; L460-L468 HydrophobicContact CD1-CD2 3.82Å; L468-L470 HydrophobicContact CD1-CD2 4.34Å; L468-L470 HydrophobicContact CG-CD2 4.32Å; L468-L484 HydrophobicContact CB-CB 4.27Å; L468-L484 HydrophobicContact CD2-CD1 3.99Å; L468-L484 PolarHBondContact N-O 2.78Å; L468-L484 PolarHBondContact O-N 3.05Å; L468-Q503 CarbonylContact C-O 3.59Å; L468-Q503 WeakPolarHBondContact CA-O 3.2Å; L468-F504 HydrophobicContact CB-CD2 4.29Å; L468-F504 HydrophobicContact CD1-CB 4.25Å; L468-F519 HydrophobicContact CD1-CZ 4.35Å; L468-L521 HydrophobicContact CD1-CD1 4.43Å; L468-L521 HydrophobicContact CD2-CD1 3.65Å; L468-L521 HydrophobicContact CD2-CD2 4.07Å; L468-L521 HydrophobicContact CD2-CG 4.44Å
469T94.3Very high88.6Confident4 Ų448.7 Ų48.73%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-103.9140.1176.3-53.30000110.1F471 V480 Q483 Q503T469-F471 HydrophobicContact CG2-CD1 4.29Å; T469-F471 HydrophobicContact CG2-CD2 4.21Å; T469-F471 HydrophobicContact CG2-CE1 3.76Å; T469-F471 HydrophobicContact CG2-CE2 3.67Å; T469-F471 HydrophobicContact CG2-CZ 3.42Å; T469-F471 VanDerWaalsContact CG2-CZ 3.42Å; T469-V480 HydrophobicContact CG2-CG1 4.12Å; T469-V480 HydrophobicContact CG2-CG2 4.1Å; T469-Q483 HydrophobicContact CG2-CG 3.96Å; T469-Q503 PolarHBondContact N-O 3.15Å; T469-Q503 PolarHBondContact O-N 3.45Å
470L95.4Very high88.9Confident1 Ų148.8 Ų48.81%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-122.2127.1-179.3-57.4174000108.9L455 L468 V480 L481 A482 L484 L493 L502L455-L470 HydrophobicContact CD2-CD1 3.58Å; L455-L470 HydrophobicContact CD2-CD2 3.85Å; L455-L470 HydrophobicContact CD2-CG 4.36Å; L468-L470 HydrophobicContact CD1-CD2 4.34Å; L468-L470 HydrophobicContact CG-CD2 4.32Å; L470-V480 CarbonylContact O-C 3.5Å; L470-V480 WeakPolarHBondContact O-CA 3.46Å; L470-L481 HydrophobicContact CB-CB 4.4Å; L470-L481 PolarHBondContact O-N 2.89Å; L470-A482 HydrophobicContact CD1-CB 4.37Å; L470-A482 PolarHBondContact N-O 2.84Å; L470-A482 PolarHBondContact O-N 3.39Å; L470-L484 HydrophobicContact CD1-CD1 3.81Å; L470-L484 HydrophobicContact CD1-CG 4.48Å; L470-L493 HydrophobicContact CD1-CD1 3.34Å; L470-L502 HydrophobicContact CD2-CB 4Å; L470-L502 HydrophobicContact CD2-CD2 3.53Å; L470-L502 HydrophobicContact CD2-CG 3.55Å
471F96.4Very high89.1Confident17 Ų1750.8 Ų50.88%0.07529%0.287CS..EExtended strand (participates in β ladder)trans-119.3135.2-175-51.7-94.6000111.9T469 G473 P476 A478 R479 V480 T501 Q503T469-F471 HydrophobicContact CG2-CD1 4.29Å; T469-F471 HydrophobicContact CG2-CD2 4.21Å; T469-F471 HydrophobicContact CG2-CE1 3.76Å; T469-F471 HydrophobicContact CG2-CE2 3.67Å; T469-F471 HydrophobicContact CG2-CZ 3.42Å; T469-F471 VanDerWaalsContact CG2-CZ 3.42Å; F471-G473 PolarHBondContact O-N 2.95Å; F471-G473 VanDerWaalsContact O-N 3.15Å; F471-P476 HydrophobicContact CD2-CB 4.31Å; F471-P476 HydrophobicContact CE1-CB 4.44Å; F471-P476 WeakPolarHBondContact CE1-O 3.34Å; F471-P476 HydrophobicContact CE2-CB 3.73Å; F471-P476 HydrophobicContact CZ-CB 3.8Å; F471-A478 HydrophobicContact CB-CB 4.08Å; F471-A478 WeakPolarHBondContact CD1-O 3.32Å; F471-R479 CarbonylContact C-O 3.38Å; F471-R479 WeakPolarHBondContact CA-O 3.35Å; F471-V480 HydrophobicContact CD1-CG2 3.75Å; F471-V480 HydrophobicContact CE1-CG2 3.69Å; F471-T501 HydrophobicContact CD2-CG2 4.33Å; F471-T501 PolarHBondContact N-O 2.88Å; F471-T501 PolarHBondContact O-N 2.93Å; F471-Q503 HydrophobicContact CE2-CB 3.85Å
472D93.8Very high89.4Confident21 Ų2149.4 Ų49.411%0.11228%0.281CS..EExtended strand (participates in β ladder)trans-81.679.7-179.5-159.325.7000110.6R479 L481 S495 S496D472-R479 HydrophobicContact CB-CB 4.24Å; D472-R479 WeakPolarHBondContact CB-O 3.39Å; D472-R479 PolarHBondContact N-O 3.43Å; D472-L481 HydrophobicContact CB-CD1 4.2Å; D472-L481 HydrophobicContact CB-CD2 3.63Å; D472-L481 HydrophobicContact CB-CG 3.71Å; D472-S495 VanDerWaalsContact OD1-CA 3.22Å; D472-S495 WeakPolarHBondContact OD1-CA 3.5Å; D472-S495 WeakPolarHBondContact OD1-CB 3.11Å; D472-S496 VanDerWaalsContact CG-OG 3.25Å; D472-S496 PolarHBondContact OD1-N 3.06Å; D472-S496 PolarHBondContact OD1-OG 2.89Å; D472-S496 VanDerWaalsContact OD2-CB 3.24Å; D472-S496 WeakPolarHBondContact OD2-CB 3.09Å; D472-S496 PolarHBondContact OD2-OG 2.85Å
473G92.4Very high89.9Confident14 Ų1453.9 Ų53.914%0.14430%0.302CS..SBendtrans139.5-179.8-177.700000114F471 D499 T501F471-G473 PolarHBondContact O-N 2.95Å; F471-G473 VanDerWaalsContact O-N 3.15Å; G473-D499 PolarHBondContact N-O 2.94Å; G473-T501 PolarHBondContact O-N 2.87Å; G473-T501 PolarHBondContact O-OG1 2.86Å
474D90.9Very high90.4Very high126 Ų12652.4 Ų52.467%0.67430%0.297SS*.SBendtrans-67.8131.1170.7177.326.7000111.8D499D474-D499 HydrophobicContact CB-CB 4.46Å
475G90.3Very high90.8Very high15 Ų1549.9 Ų49.916%0.15528%0.279CS..SBendtrans73.5158.6177.600000116.7S477 A478 T501G475-S477 PolarHBondContact O-N 2.76Å; G475-A478 WeakPolarHBondContact O-CB 3.13Å; G475-A478 PolarHBondContact O-N 2.94Å; G475-A478 VanDerWaalsContact O-N 3.13Å; G475-T501 PolarHBondContact N-OG1 2.04Å
476P87.6Confident90.7Very high66 Ų6647.8 Ų47.843%0.42926%0.258SS..THydrogen-bonded Turntrans-71.14.9176.531.4-36.7000114F471F471-P476 HydrophobicContact CD2-CB 4.31Å; F471-P476 HydrophobicContact CE1-CB 4.44Å; F471-P476 WeakPolarHBondContact CE1-O 3.34Å; F471-P476 HydrophobicContact CE2-CB 3.73Å; F471-P476 HydrophobicContact CZ-CB 3.8Å
477S87.6Confident90.2Very high116 Ų11652.6 Ų52.681%0.81129%0.29SS*.THydrogen-bonded Turntrans-85.9-11.6169.151.10000113.8G475G475-S477 PolarHBondContact O-N 2.76Å
478A90.9Very high89.2Confident27 Ų2755.9 Ų55.922%0.22331%0.305CS..SBendtrans-73.4179.5-178.700000112.8F471 G475 V480F471-A478 HydrophobicContact CB-CB 4.08Å; F471-A478 WeakPolarHBondContact CD1-O 3.32Å; G475-A478 WeakPolarHBondContact O-CB 3.13Å; G475-A478 PolarHBondContact O-N 2.94Å; G475-A478 VanDerWaalsContact O-N 3.13Å; A478-V480 PolarHBondContact O-N 3.06Å
479R92.6Very high88.1Confident185 Ų18560.7 Ų60.770%0.69834%0.336SS*.EExtended strand (participates in β ladder)trans-74.9122.6-174.3174.7-169.7173.8-169.6-0.3111.1F471 D472 L481F471-R479 CarbonylContact C-O 3.38Å; F471-R479 WeakPolarHBondContact CA-O 3.35Å; D472-R479 HydrophobicContact CB-CB 4.24Å; D472-R479 WeakPolarHBondContact CB-O 3.39Å; D472-R479 PolarHBondContact N-O 3.43Å; R479-L481 PolarHBondContact O-N 2.96Å
480V94Very high87.5Confident66 Ų6668 Ų6840%0.436%0.363SS..EExtended strand (participates in β ladder)trans-57.6120.7173.2179.80000111.7T469 L470 F471 A478 Q483T469-V480 HydrophobicContact CG2-CG1 4.12Å; T469-V480 HydrophobicContact CG2-CG2 4.1Å; L470-V480 CarbonylContact O-C 3.5Å; L470-V480 WeakPolarHBondContact O-CA 3.46Å; F471-V480 HydrophobicContact CD1-CG2 3.75Å; F471-V480 HydrophobicContact CE1-CG2 3.69Å; A478-V480 PolarHBondContact O-N 3.06Å; V480-Q483 HydrophobicContact CG1-CG 4.14Å
481L92.3Very high87Confident49 Ų4974.4 Ų74.426%0.25739%0.387SS..EExtended strand (participates in β ladder)trans-80.4-44.6168-69.8176.3000111.4L470 D472 R479 L500L470-L481 HydrophobicContact CB-CB 4.4Å; L470-L481 PolarHBondContact O-N 2.89Å; D472-L481 HydrophobicContact CB-CD1 4.2Å; D472-L481 HydrophobicContact CB-CD2 3.63Å; D472-L481 HydrophobicContact CB-CG 3.71Å; R479-L481 PolarHBondContact O-N 2.96Å; L481-L500 HydrophobicContact CD1-CD1 3.52Å
482A90.2Very high86.7Confident11 Ų1181.5 Ų81.59%0.09141%0.413CS..EExtended strand (participates in β ladder)trans-158.3153.1-178.900000111.6L470 L484 L493L470-A482 HydrophobicContact CD1-CB 4.37Å; L470-A482 PolarHBondContact N-O 2.84Å; L470-A482 PolarHBondContact O-N 3.39Å; A482-L484 HydrophobicContact CB-CD2 4.3Å; A482-L484 HydrophobicContact CB-CG 4.47Å; A482-L493 HydrophobicContact CB-CD1 3.94Å
483Q92.3Very high86.5Confident97 Ų9781.4 Ų81.445%0.45341%0.413SS..EExtended strand (participates in β ladder)trans-115.9128.2159.6-73.2176.2-8.200107.3M467 T469 V480M467-Q483 HydrophobicContact CG-CB 4.47Å; M467-Q483 HydrophobicContact SD-CB 4.14Å; M467-Q483 HydrophobicContact SD-CG 3.9Å; T469-Q483 HydrophobicContact CG2-CG 3.96Å; V480-Q483 HydrophobicContact CG1-CG 4.14Å
484L89.3Confident86.5Confident9 Ų984.1 Ų84.15%0.04742%0.423CS..EExtended strand (participates in β ladder)trans-115.2128.3-175.5-58.8178.2000108.6V457 L460 L468 L470 A482V457-L484 HydrophobicContact CG2-CD1 3.93Å; L460-L484 HydrophobicContact CD1-CB 4.24Å; L460-L484 HydrophobicContact CD2-CB 3.81Å; L468-L484 HydrophobicContact CB-CB 4.27Å; L468-L484 HydrophobicContact CD2-CD1 3.99Å; L468-L484 PolarHBondContact N-O 2.78Å; L468-L484 PolarHBondContact O-N 3.05Å; L470-L484 HydrophobicContact CD1-CD1 3.81Å; L470-L484 HydrophobicContact CD1-CG 4.48Å; A482-L484 HydrophobicContact CB-CD2 4.3Å; A482-L484 HydrophobicContact CB-CG 4.47Å
485R85.8Confident86.6Confident131 Ų13178.3 Ų78.349%0.49439%0.392SS..  trans-144.8144.8-177.2-57.6-172.8-170.6114.48110.1M467 Q488M467-R485 HydrophobicContact CB-CG 4.3Å; M467-R485 HydrophobicContact CG-CG 4.2Å; M467-R485 PolarHBondContact SD-NH2 3.45Å; R485-Q488 PolarHBondContact O-NE2 2.97Å
486G77.4Confident86.4Confident17 Ų1780.2 Ų80.218%0.17540%0.404CS..SBendtrans62.9-171.2-178.100000113.7L460 V462 Q488L460-G486 VanDerWaalsContact CD2-O 3.25Å; L460-G486 WeakPolarHBondContact CD2-O 3.36Å; V462-G486 WeakPolarHBondContact O-CA 3.42Å; G486-Q488 PolarHBondContact O-N 2.83Å
487P76.1Confident86.5Confident102 Ų10277.7 Ų77.766%0.66239%0.389SS*.BIsolated β-bridgetrans-67.1126.617127.4-33.5000111.1L460L460-P487 WeakPolarHBondContact O-CA 3.38Å
488Q69.7Low86.7Confident100 Ų10072.8 Ų72.847%0.46736%0.355SS..  trans-126146.9178.2-65.5-67.7-33.100111.1L460 R485 G486L460-Q488 HydrophobicContact CD2-CB 3.69Å; L460-Q488 HydrophobicContact CD2-CG 3.48Å; L460-Q488 VanDerWaalsContact CD2-CG 3.48Å; R485-Q488 PolarHBondContact O-NE2 2.97Å; G486-Q488 PolarHBondContact O-N 2.83Å
489P70.8Confident86.9Confident100 Ų10073.8 Ų73.865%0.64936%0.356SS*.  trans-66.6152.8173.129.8-35.3000111.2R491P489-R491 PolarHBondContact O-N 2.89Å
490R81.6Confident87Confident158 Ų15865.1 Ų65.160%0.59632%0.324SS*.  trans-51.8123.4177.6-68.6-175177-146.3-5.4111V457 E458V457-R490 WeakPolarHBondContact O-CA 3.39Å; E458-R490 VanDerWaalsContact CD-CZ 3.41Å; E458-R490 VanDerWaalsContact CD-NH2 3.29Å; E458-R490 WeakPolarHBondContact O-CG 3.31Å; E458-R490 PolarHBondContact O-NE 2.94Å; E458-R490 IonicContact OE1-CZ 2.84Å; E458-R490 IonicContact OE1-NH1 3.58Å; E458-R490 PolarHBondContact OE1-NH1 2.68Å; E458-R490 IonicContact OE1-NH2 3.81Å; E458-R490 PolarHBondContact OE1-NH2 3.11Å; E458-R490 IonicContact OE2-CZ 3.57Å; E458-R490 IonicContact OE2-NH1 2.76Å; E458-R490 PolarHBondContact OE2-NH1 2.76Å; E458-R490 VanDerWaalsContact OE2-NH1 3.17Å
491R85.1Confident87.2Confident136 Ų13662.2 Ų62.251%0.51331%0.306SS..EExtended strand (participates in β ladder)trans-135.7144.7-173.4-179.1171.8175.1-177.5-4.4110.9V457 P489V457-R491 PolarHBondContact N-O 2.67Å; P489-R491 PolarHBondContact O-N 2.89Å
492R89.8Confident87.4Confident166 Ų16659.9 Ų59.963%0.62629%0.294SS*.EExtended strand (participates in β ladder)trans-102.6144.2169.4-69.2178.7178162.22.4110.9L454 L455 Q456L454-R492 HydrophobicContact CD1-CB 4.34Å; L455-R492 CarbonylContact O-C 3.59Å; L455-R492 WeakPolarHBondContact O-CA 3.37Å; Q456-R492 HydrophobicContact CB-CG 4.21Å; Q456-R492 HydrophobicContact CG-CG 4.18Å; Q456-R492 VanDerWaalsContact OE1-CZ 3.28Å
493L90.8Very high87.6Confident19 Ų1960.6 Ų60.610%0.09930%0.295CS..EExtended strand (participates in β ladder)trans-136.5151.1177.8-64.8171.8000108.2L454 L455 L470 A482L454-L493 WeakPolarHBondContact CA-O 3.37Å; L455-L493 HydrophobicContact CB-CB 4.45Å; L455-L493 PolarHBondContact N-O 2.86Å; L455-L493 PolarHBondContact O-N 3.36Å; L470-L493 HydrophobicContact CD1-CD1 3.34Å; A482-L493 HydrophobicContact CB-CD1 3.94Å
494L90.8Very high87.7Confident70 Ų7056 Ų5637%0.36627%0.274SS..EExtended strand (participates in β ladder)trans-135.8128.8-174.3-175.969.9000108.8R452 I453 L454 V526R452-L494 HydrophobicContact CB-CD1 3.99Å; I453-L494 WeakPolarHBondContact O-CA 3.36Å; L454-L494 HydrophobicContact CB-CD1 4.34Å; L454-L494 HydrophobicContact CD1-CD1 4.22Å; L494-V526 HydrophobicContact CD1-CG2 3.53Å
495S93.1Very high87.9Confident4 Ų458.6 Ų58.63%0.02829%0.286CS..  trans-73.5164.9171.865.20000111.8R452 I453 D472 G497R452-S495 WeakPolarHBondContact CD-O 3.32Å; R452-S495 VanDerWaalsContact CG-O 3.32Å; R452-S495 WeakPolarHBondContact CG-O 3.5Å; R452-S495 PolarHBondContact NE-O 2.83Å; I453-S495 PolarHBondContact N-OG 2.88Å; I453-S495 PolarHBondContact O-N 2.84Å; D472-S495 VanDerWaalsContact OD1-CA 3.22Å; D472-S495 WeakPolarHBondContact OD1-CA 3.5Å; D472-S495 WeakPolarHBondContact OD1-CB 3.11Å; S495-G497 PolarHBondContact OG-O 2.88Å
496S87.6Confident88Confident56 Ų5652.5 Ų52.539%0.39226%0.263SS..SBendtrans-90.4-20.8173.566.30000113.5R452 D472 R528R452-S496 PolarHBondContact NE-O 2.9Å; R452-S496 PolarHBondContact NH2-O 3.29Å; R452-S496 VanDerWaalsContact NH2-O 3.16Å; D472-S496 VanDerWaalsContact CG-OG 3.25Å; D472-S496 PolarHBondContact OD1-N 3.06Å; D472-S496 PolarHBondContact OD1-OG 2.89Å; D472-S496 VanDerWaalsContact OD2-CB 3.24Å; D472-S496 WeakPolarHBondContact OD2-CB 3.09Å; D472-S496 PolarHBondContact OD2-OG 2.85Å; S496-R528 PolarHBondContact O-NE 3.36Å; S496-R528 PolarHBondContact O-NH2 3.48Å
497G88.1Confident88.4Confident12 Ų1254.7 Ų54.712%0.12428%0.275CS..SBendtrans-136.8-165177.700000113.8K451 S495 D499K451-G497 CarbonylContact O-C 3.43Å; S495-G497 PolarHBondContact OG-O 2.88Å; G497-D499 VanDerWaalsContact C-N 3.33Å; G497-D499 PolarHBondContact O-N 3.22Å
498P91.8Very high88.6Confident13 Ų1355.5 Ų55.58%0.08428%0.28CS..SBendtrans-74.3-17.8-175.130.6-36.2000114.3V447 I453V447-P498 HydrophobicContact CG2-CB 4.32Å; V447-P498 WeakPolarHBondContact CG2-O 3.28Å; V447-P498 PolarHBondContact N-O 2.86Å; V447-P498 WeakPolarHBondContact O-CB 3.47Å; I453-P498 WeakPolarHBondContact CD1-O 3.24Å
499D94.9Very high88.6Confident49 Ų4952.4 Ų52.426%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-105144-174.2-37.6-67.5000112.5V445 H446 G473 D474 G497V445-D499 CarbonylContact O-C 3.58Å; V445-D499 WeakPolarHBondContact O-CA 3.5Å; H446-D499 IonicContact CE1-OD1 2.7Å; H446-D499 IonicContact CG-OD1 3.38Å; H446-D499 IonicContact ND1-OD1 3.52Å; H446-D499 PolarHBondContact ND1-OD1 3.08Å; G473-D499 PolarHBondContact N-O 2.94Å; D474-D499 HydrophobicContact CB-CB 4.46Å; G497-D499 VanDerWaalsContact C-N 3.33Å; G497-D499 PolarHBondContact O-N 3.22Å
500L96.3Very high88.2Confident3 Ų352 Ų522%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-146.5118.2175.6176.376.6000109.3V445 I453 L455 L481 L502V445-L500 HydrophobicContact CB-CB 4.42Å; V445-L500 WeakPolarHBondContact CB-O 3.44Å; V445-L500 PolarHBondContact N-O 3Å; V445-L500 PolarHBondContact O-N 3.23Å; I453-L500 HydrophobicContact CB-CB 4.35Å; I453-L500 HydrophobicContact CB-CD2 4.33Å; I453-L500 HydrophobicContact CD1-CB 3.53Å; I453-L500 HydrophobicContact CG2-CD2 3.72Å; L455-L500 HydrophobicContact CB-CD2 4.16Å; L455-L500 HydrophobicContact CD1-CD2 4.26Å; L455-L500 HydrophobicContact CD2-CD2 4.34Å; L455-L500 HydrophobicContact CG-CD2 4.49Å; L481-L500 HydrophobicContact CD1-CD1 3.52Å; L500-L502 HydrophobicContact CD2-CD1 4.29Å; L500-L502 HydrophobicContact CG-CD1 4.31Å
501T97.1Very high87.1Confident4 Ų449.5 Ų49.53%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-99.8134.3175.4-56.30000110.9V442 F471 G473 G475V442-T501 HydrophobicContact CG1-CG2 3.77Å; F471-T501 HydrophobicContact CD2-CG2 4.33Å; F471-T501 PolarHBondContact N-O 2.88Å; F471-T501 PolarHBondContact O-N 2.93Å; G473-T501 PolarHBondContact O-N 2.87Å; G473-T501 PolarHBondContact O-OG1 2.86Å; G475-T501 PolarHBondContact N-OG1 2.04Å
502L96.1Very high85.7Confident0 Ų047.9 Ų47.90%028%0.278CS..EExtended strand (participates in β ladder)trans-113.6129.3174.8-5690.7000109.1V426 V442 W443 V445 L455 L470 L500 L521V426-L502 HydrophobicContact CG2-CD2 4.34Å; V442-L502 CarbonylContact C-O 3.58Å; V442-L502 WeakPolarHBondContact CA-O 3.37Å; W443-L502 HydrophobicContact CB-CB 4.43Å; W443-L502 HydrophobicContact CB-CD1 4.41Å; W443-L502 HydrophobicContact CE3-CB 4.24Å; W443-L502 PolarHBondContact N-O 3.21Å; W443-L502 PolarHBondContact O-N 2.99Å; V445-L502 HydrophobicContact CG2-CD1 3.46Å; V445-L502 VanDerWaalsContact CG2-CD1 3.46Å; L455-L502 HydrophobicContact CD1-CD2 4.35Å; L455-L502 HydrophobicContact CD2-CD2 4.24Å; L470-L502 HydrophobicContact CD2-CB 4Å; L470-L502 HydrophobicContact CD2-CD2 3.53Å; L470-L502 HydrophobicContact CD2-CG 3.55Å; L500-L502 HydrophobicContact CD2-CD1 4.29Å; L500-L502 HydrophobicContact CG-CD1 4.31Å; L502-L521 HydrophobicContact CD2-CD1 3.5Å
503Q95.8Very high83.8Confident26 Ų2646 Ų4612%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-124.7124.2172.8-177169.423.400110.6D440 C441 V442 L468 T469 F471 Q505D440-Q503 PolarHBondContact OD1-NE2 3.07Å; D440-Q503 PolarHBondContact OD2-NE2 2.98Å; C441-Q503 CarbonylContact O-C 3.47Å; C441-Q503 VanDerWaalsContact O-CA 3.31Å; C441-Q503 WeakPolarHBondContact O-CA 3.17Å; V442-Q503 HydrophobicContact CG2-CB 4.31Å; V442-Q503 HydrophobicContact CG2-CG 3.93Å; L468-Q503 CarbonylContact C-O 3.59Å; L468-Q503 WeakPolarHBondContact CA-O 3.2Å; T469-Q503 PolarHBondContact N-O 3.15Å; T469-Q503 PolarHBondContact O-N 3.45Å; F471-Q503 HydrophobicContact CE2-CB 3.85Å; Q503-Q505 HydrophobicContact CG-CG 4.17Å; Q503-Q505 VanDerWaalsContact NE2-NE2 3.14Å
504F94.6Very high82Confident0 Ų048.1 Ų48.10%031%0.314CS..EExtended strand (participates in β ladder)trans-109.1122.1173.6176.7-119.2000110.9Y435 D440 C441 W443 V462 D466 L468 A506 F519Y435-F504 HydrophobicContact CD1-CE1 4.47Å; Y435-F504 HydrophobicContact CD1-CZ 4.33Å; Y435-F504 AromaticContact CD2-CE1 3.79Å; Y435-F504 HydrophobicContact CD2-CE1 3.79Å; Y435-F504 AromaticContact CD2-CZ 3.84Å; Y435-F504 HydrophobicContact CD2-CZ 3.84Å; Y435-F504 HydrophobicContact CE1-CZ 4.06Å; Y435-F504 AromaticContact CE2-CE1 3.99Å; Y435-F504 HydrophobicContact CE2-CE1 3.99Å; Y435-F504 AromaticContact CE2-CZ 3.54Å; Y435-F504 HydrophobicContact CE2-CZ 3.54Å; Y435-F504 HydrophobicContact CG-CE1 4.06Å; Y435-F504 HydrophobicContact CG-CZ 4.23Å; Y435-F504 AromaticContact CZ-CZ 3.65Å; D440-F504 CarbonylContact C-O 3.6Å; D440-F504 WeakPolarHBondContact CA-O 3.19Å; C441-F504 PolarHBondContact N-O 3.5Å; C441-F504 PolarHBondContact O-N 3.5Å; W443-F504 HydrophobicContact CH2-CB 4.11Å; W443-F504 HydrophobicContact CZ3-CB 3.71Å; V462-F504 HydrophobicContact CB-CE2 4.36Å; V462-F504 HydrophobicContact CG1-CE2 3.84Å; V462-F504 HydrophobicContact CG1-CZ 4.4Å; D466-F504 HydrophobicContact CB-CE2 4.14Å; D466-F504 HydrophobicContact CB-CZ 4.39Å; L468-F504 HydrophobicContact CB-CD2 4.29Å; L468-F504 HydrophobicContact CD1-CB 4.25Å; F504-A506 HydrophobicContact CE1-CB 3.86Å; F504-A506 HydrophobicContact CZ-CB 3.84Å; F504-F519 HydrophobicContact CB-CE1 3.95Å; F504-F519 HydrophobicContact CB-CZ 4.03Å; F504-F519 AromaticContact CD1-CE1 3.93Å; F504-F519 HydrophobicContact CD1-CE1 3.93Å; F504-F519 HydrophobicContact CD1-CZ 4.49Å; F504-F519 HydrophobicContact CD2-CD1 4.35Å; F504-F519 AromaticContact CD2-CE1 3.62Å; F504-F519 HydrophobicContact CD2-CE1 3.62Å; F504-F519 HydrophobicContact CE1-CE1 4.33Å; F504-F519 HydrophobicContact CE2-CD1 4.47Å; F504-F519 HydrophobicContact CE2-CE1 4.05Å; F504-F519 AromaticContact CG-CE1 3.55Å; F504-F519 HydrophobicContact CG-CE1 3.55Å; F504-F519 HydrophobicContact CG-CZ 4.11Å; F504-F519 HydrophobicContact CZ-CE1 4.38Å
505Q92.6Very high80.3Confident64 Ų6450.1 Ų50.130%0.29932%0.324SS..EExtended strand (participates in β ladder)trans-118.2119.1179-76175-25.200110.2D440 D466 M467 Q503D440-Q505 HydrophobicContact CB-CG 4.45Å; D440-Q505 VanDerWaalsContact OD1-CG 3.25Å; D440-Q505 WeakPolarHBondContact OD1-CG 3.03Å; D440-Q505 PolarHBondContact OD2-NE2 2.99Å; D466-Q505 WeakPolarHBondContact CA-O 3.46Å; M467-Q505 PolarHBondContact N-O 2.72Å; M467-Q505 PolarHBondContact O-N 3Å; Q503-Q505 HydrophobicContact CG-CG 4.17Å; Q503-Q505 VanDerWaalsContact NE2-NE2 3.14Å
506A89Confident78.6Confident3 Ų350.3 Ų50.33%0.02533%0.327CS..  trans-11996.8175.100000109.5Y435 G438 Q439 D466 F504Y435-A506 HydrophobicContact CD2-CB 4.21Å; Y435-A506 HydrophobicContact CE2-CB 3.94Å; G438-A506 CarbonylContact C-O 3.45Å; G438-A506 WeakPolarHBondContact CA-O 3.42Å; G438-A506 PolarHBondContact N-O 3.44Å; Q439-A506 HydrophobicContact CB-CB 4.3Å; Q439-A506 PolarHBondContact N-O 3.05Å; Q439-A506 PolarHBondContact O-N 3.18Å; D466-A506 VanDerWaalsContact OD1-CA 3.3Å; D466-A506 WeakPolarHBondContact OD1-CA 3.02Å; F504-A506 HydrophobicContact CE1-CB 3.86Å; F504-A506 HydrophobicContact CZ-CB 3.84Å
507P84.7Confident77.6Confident63 Ų6353.5 Ų53.541%0.40934%0.336SS..  trans-50.6148.6-17915.2-31.9000114.4R463 D466R463-P507 PolarHBondContact NH2-O 2.89Å; D466-P507 VanDerWaalsContact OD1-CD 3.28Å; D466-P507 WeakPolarHBondContact OD1-CD 3.41Å
508P80.6Confident77.5Confident119 Ų11952.9 Ų52.977%0.77333%0.33SS*.SBendtrans-64.9137.7175.728.4-34.9000110.5
509G68.9Low77.4Confident36 Ų3652.3 Ų52.337%0.37133%0.326SS..  trans-178.5176.4-177.200000110.2P437P437-G509 WeakPolarHBondContact CB-O 3.39Å; P437-G509 WeakPolarHBondContact CG-O 3.5Å
510P64.3Low77.3Confident92 Ų9250.5 Ų50.560%0.59732%0.317SS*.  trans-60.4145.3177.226.9-34.6000111N512P510-N512 PolarHBondContact O-N 3Å; P510-N512 VanDerWaalsContact O-N 3.08Å
511P57.9Low77.2Confident105 Ų10550.4 Ų50.468%0.68232%0.316SS*.  trans-68.5104.416928.8-32.4000108.7P513P511-P513 VanDerWaalsContact O-CD 3.25Å; P511-P513 WeakPolarHBondContact O-CD 3.44Å
512N54.8Low77.1Confident102 Ų10253.7 Ų53.755%0.54533%0.331SS..  trans-86.4108.3173.1-79.1-0.7000108.9P510 G514P510-N512 PolarHBondContact O-N 3Å; P510-N512 VanDerWaalsContact O-N 3.08Å; N512-G514 PolarHBondContact O-N 2.93Å
513P51Low77.1Confident126 Ų12654 Ų5482%0.81833%0.333SS*.THydrogen-bonded Turntrans-64.2129.7178.426.1-33.8000111P511P511-P513 VanDerWaalsContact O-CD 3.25Å; P511-P513 WeakPolarHBondContact O-CD 3.44Å
514G51.8Low77.1Confident63 Ų6357.9 Ų57.965%0.64935%0.349SS*.THydrogen-bonded Turntrans95.7-0.4163.100000118.7N512N512-G514 PolarHBondContact O-N 2.93Å
515L54.9Low77Confident112 Ų11260.4 Ų60.459%0.58636%0.361SS*.SBendtrans-109.61.2-177.2-148.174.8000115.8
516G57.3Low76.9Confident9 Ų958.6 Ų58.69%0.09335%0.354CS..  trans-132.274.2-176.800000113N461 G518N461-G516 CarbonylContact O-C 3.56Å; N461-G516 WeakPolarHBondContact O-CA 3.35Å; G516-G518 PolarHBondContact O-N 3.08Å
517Q67Low76.5Confident122 Ų12263.3 Ų63.357%0.5738%0.384SS*.  trans-79.152.4174.9-55.8173-33.400111.8W431 N461W431-Q517 WeakPolarHBondContact CZ3-O 3.05Å; N461-Q517 HydrophobicContact CB-CB 3.99Å; N461-Q517 WeakPolarHBondContact ND2-CB 3.41Å; N461-Q517 PolarHBondContact ND2-OE1 3.06Å; N461-Q517 CarbonylContact O-C 3.54Å; N461-Q517 PolarHBondContact O-N 2.7Å
518G85.9Confident76Confident0 Ų065.3 Ų65.30%038%0.384CS..  trans52.2-150.316500000117.5S428 N461 G516S428-G518 WeakPolarHBondContact OG-CA 3.4Å; N461-G518 CarbonylContact C-O 3.46Å; N461-G518 PolarHBondContact N-O 2.87Å; N461-G518 PolarHBondContact O-N 2.82Å; G516-G518 PolarHBondContact O-N 3.08Å
519F90.6Very high75.3Confident0 Ų065 Ų650%038%0.375CS..EExtended strand (participates in β ladder)trans-153.8155.8170.758.4-104.1000112.2V426 L427 S428 W443 I459 L460 V462 L468 F504 L521V426-F519 HydrophobicContact CG1-CE2 4.37Å; L427-F519 VanDerWaalsContact C-CE2 3.45Å; L427-F519 WeakPolarHBondContact O-CE2 3.38Å; S428-F519 PolarHBondContact N-O 2.88Å; S428-F519 VanDerWaalsContact N-O 3.08Å; S428-F519 PolarHBondContact OG-N 3.17Å; W443-F519 HydrophobicContact CH2-CE2 4.42Å; W443-F519 AromaticContact CH2-CZ 3.76Å; W443-F519 HydrophobicContact CH2-CZ 3.76Å; W443-F519 HydrophobicContact CZ3-CZ 4Å; I459-F519 CarbonylContact O-C 3.47Å; I459-F519 VanDerWaalsContact O-CA 3.32Å; I459-F519 WeakPolarHBondContact O-CA 3.3Å; I459-F519 WeakPolarHBondContact O-CB 3.28Å; L460-F519 HydrophobicContact CD1-CB 3.98Å; V462-F519 HydrophobicContact CG1-CD1 3.99Å; L468-F519 HydrophobicContact CD1-CZ 4.35Å; F504-F519 HydrophobicContact CB-CE1 3.95Å; F504-F519 HydrophobicContact CB-CZ 4.03Å; F504-F519 AromaticContact CD1-CE1 3.93Å; F504-F519 HydrophobicContact CD1-CE1 3.93Å; F504-F519 HydrophobicContact CD1-CZ 4.49Å; F504-F519 HydrophobicContact CD2-CD1 4.35Å; F504-F519 AromaticContact CD2-CE1 3.62Å; F504-F519 HydrophobicContact CD2-CE1 3.62Å; F504-F519 HydrophobicContact CE1-CE1 4.33Å; F504-F519 HydrophobicContact CE2-CD1 4.47Å; F504-F519 HydrophobicContact CE2-CE1 4.05Å; F504-F519 AromaticContact CG-CE1 3.55Å; F504-F519 HydrophobicContact CG-CE1 3.55Å; F504-F519 HydrophobicContact CG-CZ 4.11Å; F504-F519 HydrophobicContact CZ-CE1 4.38Å; F519-L521 HydrophobicContact CD2-CD1 3.79Å; F519-L521 HydrophobicContact CD2-CD2 4.49Å; F519-L521 HydrophobicContact CD2-CG 3.79Å; F519-L521 HydrophobicContact CE2-CD1 3.9Å; F519-L521 HydrophobicContact CE2-CG 4.36Å
520V92.2Very high75.1Confident12 Ų1265.1 Ų65.17%0.07337%0.368CS..EExtended strand (participates in β ladder)trans-134.6118.5174.3-177.60000108.3V425 L427 W431 E458 I459V425-V520 HydrophobicContact CG1-CG1 3.9Å; L427-V520 HydrophobicContact CD2-CB 4.31Å; L427-V520 HydrophobicContact CD2-CG1 3.99Å; L427-V520 HydrophobicContact CD2-CG2 3.89Å; W431-V520 HydrophobicContact CD2-CG2 3.95Å; W431-V520 HydrophobicContact CE3-CG2 4.04Å; W431-V520 HydrophobicContact CH2-CG2 3.5Å; W431-V520 VanDerWaalsContact CH2-CG2 3.5Å; W431-V520 HydrophobicContact CZ2-CG2 3.34Å; W431-V520 HydrophobicContact CZ3-CG2 3.82Å; E458-V520 HydrophobicContact CB-CB 4.31Å; E458-V520 HydrophobicContact CB-CG1 4.2Å; E458-V520 WeakPolarHBondContact CB-O 3.5Å; E458-V520 HydrophobicContact CG-CG1 4.38Å; E458-V520 PolarHBondContact N-O 2.96Å; I459-V520 HydrophobicContact CB-CB 4.09Å; I459-V520 HydrophobicContact CB-CG2 4.16Å; I459-V520 HydrophobicContact CD1-CG2 4.1Å; I459-V520 HydrophobicContact CG1-CB 4.41Å; I459-V520 HydrophobicContact CG1-CG2 4.4Å; I459-V520 PolarHBondContact N-O 3.33Å; I459-V520 PolarHBondContact O-N 3.26Å
521L94.3Very high75.5Confident0 Ų063.3 Ų63.30%036%0.355CS..EExtended strand (participates in β ladder)trans-124.2118.4-176-47.1170.5000108.8V425 V426 L455 V457 L468 L502 F519V425-L521 CarbonylContact C-O 3.57Å; V425-L521 WeakPolarHBondContact CA-O 3.25Å; V426-L521 HydrophobicContact CB-CB 4.31Å; V426-L521 HydrophobicContact CB-CD1 4.38Å; V426-L521 PolarHBondContact N-O 3.31Å; V426-L521 PolarHBondContact O-N 3.44Å; L455-L521 HydrophobicContact CD1-CB 4.03Å; V457-L521 HydrophobicContact CB-CD2 4.25Å; V457-L521 HydrophobicContact CG1-CD2 4.06Å; V457-L521 HydrophobicContact CG2-CD2 4Å; L468-L521 HydrophobicContact CD1-CD1 4.43Å; L468-L521 HydrophobicContact CD2-CD1 3.65Å; L468-L521 HydrophobicContact CD2-CD2 4.07Å; L468-L521 HydrophobicContact CD2-CG 4.44Å; L502-L521 HydrophobicContact CD2-CD1 3.5Å; F519-L521 HydrophobicContact CD2-CD1 3.79Å; F519-L521 HydrophobicContact CD2-CD2 4.49Å; F519-L521 HydrophobicContact CD2-CG 3.79Å; F519-L521 HydrophobicContact CE2-CD1 3.9Å; F519-L521 HydrophobicContact CE2-CG 4.36Å
522H95.3Very high76.5Confident73 Ų7358.5 Ų58.534%0.33832%0.324SS..EExtended strand (participates in β ladder)trans-94.5131.5174-68.8-98.8000109.4G424 L455 Q456G424-H522 WeakPolarHBondContact O-CA 3.34Å; L455-H522 CarbonylContact C-O 3.5Å; L455-H522 WeakPolarHBondContact CA-O 3.38Å; Q456-H522 PolarHBondContact N-O 2.89Å; Q456-H522 PolarHBondContact O-N 3.4Å
523F95.8Very high78Confident8 Ų857.6 Ų57.64%0.03532%0.324CS..EExtended strand (participates in β ladder)trans-118.5152.3173.272.4-89.4000110.8L419 E421 A423 G424 V426 V445 I453 L454 L455L419-F523 HydrophobicContact CB-CZ 4.08Å; L419-F523 HydrophobicContact CD1-CE1 4.05Å; L419-F523 HydrophobicContact CD1-CZ 4.42Å; E421-F523 WeakPolarHBondContact O-CE2 3.18Å; A423-F523 VanDerWaalsContact CA-O 3.3Å; A423-F523 WeakPolarHBondContact CA-O 3.39Å; G424-F523 VanDerWaalsContact C-CD1 3.47Å; G424-F523 VanDerWaalsContact CA-CE1 3.42Å; G424-F523 PolarHBondContact N-O 3Å; G424-F523 WeakPolarHBondContact O-CD1 3.49Å; G424-F523 PolarHBondContact O-N 3.08Å; V426-F523 HydrophobicContact CG2-CD1 4.11Å; V426-F523 HydrophobicContact CG2-CE1 4.26Å; V445-F523 HydrophobicContact CG1-CD2 3.52Å; V445-F523 HydrophobicContact CG1-CE1 4.48Å; V445-F523 HydrophobicContact CG1-CE2 3.48Å; V445-F523 VanDerWaalsContact CG1-CE2 3.48Å; V445-F523 HydrophobicContact CG1-CG 4.06Å; V445-F523 HydrophobicContact CG1-CZ 4Å; I453-F523 HydrophobicContact CG2-CB 3.92Å; L454-F523 WeakPolarHBondContact O-CA 3.43Å; L455-F523 HydrophobicContact CD1-CB 3.84Å
524K95.1Very high79.6Confident106 Ų10658.5 Ų58.546%0.46132%0.317SS..EExtended strand (participates in β ladder)trans-154.6154.4168.262.8171.3-173.2167.10112.4P422 A423 L454 V526P422-K524 CarbonylContact O-C 3.59Å; P422-K524 WeakPolarHBondContact O-CA 3.46Å; A423-K524 HydrophobicContact CB-CB 3.73Å; L454-K524 HydrophobicContact CB-CG 4.35Å; L454-K524 PolarHBondContact N-O 2.84Å; L454-K524 PolarHBondContact O-N 2.75Å; L454-K524 VanDerWaalsContact O-N 3.11Å; K524-V526 HydrophobicContact CG-CG1 4.48Å
525E93.7Very high81.3Confident53 Ų5356.7 Ų56.725%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-63.4144.616669.9169-125.600111.2P422 V447 Q448 K451 R452P422-E525 HydrophobicContact CB-CG 4.03Å; P422-E525 PolarHBondContact O-N 2.87Å; V447-E525 HydrophobicContact CB-CB 4.2Å; V447-E525 HydrophobicContact CG1-CB 4.18Å; V447-E525 HydrophobicContact CG2-CB 4.35Å; Q448-E525 PolarHBondContact NE2-OE2 3Å; K451-E525 HydrophobicContact CB-CB 4.23Å; K451-E525 HydrophobicContact CG-CB 4.3Å; R452-E525 CarbonylContact O-C 3.51Å; R452-E525 WeakPolarHBondContact O-CA 3.25Å
526V89.1Confident82.8Confident27 Ų2755.4 Ų55.416%0.16429%0.291CS..EExtended strand (participates in β ladder)trans-140.1151.5170.1-68.90000109.1R452 L454 L494 K524R452-V526 HydrophobicContact CB-CG2 4.03Å; R452-V526 PolarHBondContact N-O 2.94Å; R452-V526 WeakPolarHBondContact O-CG2 3.27Å; R452-V526 PolarHBondContact O-N 3.26Å; L454-V526 HydrophobicContact CB-CG1 3.75Å; L454-V526 HydrophobicContact CB-CG2 4.02Å; L454-V526 HydrophobicContact CD2-CG1 4.27Å; L494-V526 HydrophobicContact CD1-CG2 3.53Å; K524-V526 HydrophobicContact CG-CG1 4.48Å
527P82.1Confident84.4Confident101 Ų10158.7 Ų58.766%0.65631%0.31SS*.EExtended strand (participates in β ladder)trans-60.1151.8173.326.5-35.4000111.1N529P527-N529 PolarHBondContact O-N 3.27Å
528R73.8Confident85.6Confident105 Ų10553.7 Ų53.740%0.39629%0.289SS..  trans-68.8103.6-176.9-153168.9-160.2-156.43110R452 S496 D530 T531R452-R528 HydrophobicContact CG-CG 4.12Å; S496-R528 PolarHBondContact O-NE 3.36Å; S496-R528 PolarHBondContact O-NH2 3.48Å; R528-D530 PolarHBondContact O-N 3.38Å; R528-T531 PolarHBondContact O-N 3.5Å; R528-T531 PolarHBondContact O-OG1 3.39Å
529N65.4Low85.8Confident112 Ų11261.4 Ų61.460%0.59932%0.324SS*.THydrogen-bonded Turntrans-67.834.2-177.2-160.892.8000114.7P527 L578P527-N529 PolarHBondContact O-N 3.27Å; N529-L578 WeakPolarHBondContact O-CD1 3.2Å
530D65Low85.8Confident39 Ų3968 Ų6821%0.20935%0.349CS..THydrogen-bonded Turntrans-109.414.5168.6-64.2-4.5000110.9R452 R528 I551 R552 L578R452-D530 IonicContact CZ-OD1 3.63Å; R452-D530 IonicContact CZ-OD2 3.69Å; R452-D530 VanDerWaalsContact NH1-CG 3.26Å; R452-D530 IonicContact NH1-OD1 3.44Å; R452-D530 PolarHBondContact NH1-OD1 2.91Å; R452-D530 IonicContact NH1-OD2 3.8Å; R452-D530 VanDerWaalsContact NH2-CG 3.3Å; R452-D530 IonicContact NH2-OD1 3.8Å; R452-D530 PolarHBondContact NH2-OD1 3.27Å; R452-D530 IonicContact NH2-OD2 3.59Å; R452-D530 PolarHBondContact NH2-OD2 3.5Å; R528-D530 PolarHBondContact O-N 3.38Å; D530-I551 WeakPolarHBondContact O-CA 3.41Å; D530-R552 PolarHBondContact O-N 2.81Å; D530-R552 VanDerWaalsContact O-N 3.14Å; D530-R552 IonicContact OD1-NH1 2.96Å; D530-R552 IonicContact OD2-NH1 3.14Å; D530-L578 WeakPolarHBondContact O-CD2 3.25Å
531T72Confident85.8Confident54 Ų5468.2 Ų68.233%0.33136%0.355SS..BIsolated β-bridgetrans-89.9133.5177.249.40000112.2R528 L550 I551R528-T531 PolarHBondContact O-N 3.5Å; R528-T531 PolarHBondContact O-OG1 3.39Å; T531-L550 CarbonylContact C-O 3.56Å; T531-L550 VanDerWaalsContact CA-O 3.31Å; T531-L550 WeakPolarHBondContact CA-O 3.46Å; T531-I551 HydrophobicContact CG2-CG2 3.95Å
532C80.6Confident85.7Confident4 Ų473.3 Ų73.33%0.02737%0.374CS..PPolyproline II helixtrans-68.1156.2167-74.60000111.7L550 C574 L578 S579 W580C532-L550 PolarHBondContact N-O 2.89Å; C532-C574 HydrophobicContact CB-CB 3.89Å; C532-C574 WeakPolarHBondContact CB-SG 3.45Å; C532-C574 WeakPolarHBondContact SG-CA 3.09Å; C532-C574 WeakPolarHBondContact SG-CB 3.24Å; C532-C574 CovalentContact SG-SG 2.03Å; C532-C574 PolarHBondContact SG-SG 3.36Å; C532-L578 PolarHBondContact SG-O 3.36Å; C532-L578 VanDerWaalsContact SG-O 3.36Å; C532-S579 PolarHBondContact SG-O 2.87Å; C532-S579 VanDerWaalsContact SG-O 3.35Å; C532-W580 HydrophobicContact CB-CD2 4.25Å; C532-W580 HydrophobicContact CB-CH2 4.36Å; C532-W580 HydrophobicContact CB-CZ2 3.62Å
533P84.8Confident85.6Confident84 Ų8472.9 Ų72.955%0.54537%0.369SS..PPolyproline II helixtrans-55.3143.1175.5-25.433.9000112.6L535 L578 W580P533-L535 PolarHBondContact O-N 2.87Å; P533-L578 VanDerWaalsContact CD-O 3.25Å; P533-L578 WeakPolarHBondContact CD-O 3.38Å; P533-W580 PolarHBondContact O-NE1 2.85Å
534E84.1Confident85.4Confident145 Ų14575.6 Ų75.668%0.67839%0.387SS*.PPolyproline II helixtrans-71.8132.9175.7-177.1156.6-139.800111.8R543 L550E534-R543 IonicContact OE1-CZ 3.64Å; E534-R543 IonicContact OE1-NH1 3.4Å; E534-R543 IonicContact OE1-NH2 3.53Å; E534-R543 PolarHBondContact OE1-NH2 2.82Å; E534-L550 HydrophobicContact CB-CD1 3.91Å; E534-L550 HydrophobicContact CG-CD1 4.09Å
535L88.4Confident85.2Confident25 Ų2573 Ų7313%0.13138%0.384CS..  trans-105.1138.9174.8-62.3178.7000110P533 R543 L556 Y558 L572 W580 P584P533-L535 PolarHBondContact O-N 2.87Å; L535-R543 PolarHBondContact O-NE 2.92Å; L535-R543 VanDerWaalsContact O-NE 3.07Å; L535-R543 PolarHBondContact O-NH1 3.31Å; L535-R543 VanDerWaalsContact O-NH1 3.15Å; L535-R543 PolarHBondContact O-NH2 2.93Å; L535-L556 HydrophobicContact CD1-CD1 4.26Å; L535-Y558 WeakPolarHBondContact CB-OH 3.45Å; L535-L572 HydrophobicContact CD1-CD2 3.52Å; L535-W580 HydrophobicContact CD1-CB 4.44Å; L535-W580 HydrophobicContact CD1-CD2 4.04Å; L535-W580 HydrophobicContact CD1-CG 3.77Å; L535-W580 HydrophobicContact CG-CG 4.44Å; L535-P584 HydrophobicContact CD1-CB 4.36Å; L535-P584 HydrophobicContact CD2-CG 4.36Å
536P87.3Confident84.8Confident85 Ų8573.5 Ų73.555%0.55239%0.394SS*.PPolyproline II helixtrans-67.6158.6176.629.6-35.5000112.1
537P89.7Confident84.1Confident78 Ų7877.4 Ų77.451%0.50641%0.41SS..PPolyproline II helixtrans-64.6153.816231.7-34.8000110.5R543P537-R543 HydrophobicContact CB-CG 4.38Å
538P92.3Very high83.7Confident17 Ų1776.5 Ų76.511%0.1142%0.419CS..PPolyproline II helixtrans-75.7150.2175.833.4-33.5000110.5G541 Y558P538-G541 PolarHBondContact O-N 3.27Å; P538-Y558 HydrophobicContact CG-CD1 4.07Å
539E90.9Very high83.6Confident161 Ų16176.3 Ų76.375%0.75243%0.426SS*.THydrogen-bonded Turntrans-61.4139.7166.9-63.3-171.5170.500110G541 C587E539-G541 VanDerWaalsContact C-N 3.26Å; E539-G541 PolarHBondContact O-N 2.69Å; E539-C587 WeakPolarHBondContact O-CB 3.42Å
540W90.3Very high84.4Confident138 Ų13871.9 Ų71.952%0.52340%0.402SS..THydrogen-bonded Turntrans56.538-176.9-4497.2000113.4E561 Y564W540-E561 WeakPolarHBondContact O-CB 3.38Å; W540-E561 PolarHBondContact O-N 2.84Å; W540-Y564 HydrophobicContact CB-CD1 3.72Å; W540-Y564 HydrophobicContact CB-CD2 4.17Å; W540-Y564 HydrophobicContact CB-CE1 3.53Å; W540-Y564 HydrophobicContact CB-CE2 4.03Å; W540-Y564 HydrophobicContact CB-CG 4.06Å; W540-Y564 AromaticContact CD1-CE1 3.62Å; W540-Y564 HydrophobicContact CD2-CE1 4.25Å; W540-Y564 AromaticContact CD2-CZ 3.85Å; W540-Y564 HydrophobicContact CG-CD1 4.17Å; W540-Y564 AromaticContact CG-CE1 3.47Å; W540-Y564 HydrophobicContact CG-CE1 3.47Å; W540-Y564 VanDerWaalsContact CG-CE1 3.47Å; W540-Y564 HydrophobicContact CG-CE2 4.25Å; W540-Y564 AromaticContact CG-CZ 3.53Å
541G91.6Very high85.1Confident18 Ų1873 Ų7319%0.18641%0.407CS..EExtended strand (participates in β ladder)trans-168-171.4175.300000112.9P538 E539 Q559P538-G541 PolarHBondContact O-N 3.27Å; E539-G541 VanDerWaalsContact C-N 3.26Å; E539-G541 PolarHBondContact O-N 2.69Å; G541-Q559 CarbonylContact C-O 3.55Å; G541-Q559 WeakPolarHBondContact CA-O 3.25Å
542W92.6Very high85.5Confident106 Ų10676.2 Ų76.240%0.40241%0.414SS..EExtended strand (participates in β ladder)trans-143.5162.4178.564.795.5000111.8Q559 E561W542-Q559 HydrophobicContact CD2-CB 4.04Å; W542-Q559 VanDerWaalsContact CE2-CB 3.48Å; W542-Q559 HydrophobicContact CH2-CB 4.02Å; W542-Q559 HydrophobicContact CZ2-CB 3.49Å; W542-Q559 VanDerWaalsContact CZ2-CB 3.49Å; W542-Q559 HydrophobicContact CZ2-CG 4.23Å; W542-Q559 PolarHBondContact N-O 2.81Å; W542-Q559 PolarHBondContact O-N 3.22Å; W542-E561 HydrophobicContact CZ3-CG 4.28Å
543R93.2Very high85.6Confident65 Ų6578.5 Ų78.525%0.24544%0.438CS..EExtended strand (participates in β ladder)trans-119149.5170.667.9174.9178.1129.55.1110.7E534 L535 P537 T557 Y558E534-R543 IonicContact OE1-CZ 3.64Å; E534-R543 IonicContact OE1-NH1 3.4Å; E534-R543 IonicContact OE1-NH2 3.53Å; E534-R543 PolarHBondContact OE1-NH2 2.82Å; L535-R543 PolarHBondContact O-NE 2.92Å; L535-R543 VanDerWaalsContact O-NE 3.07Å; L535-R543 PolarHBondContact O-NH1 3.31Å; L535-R543 VanDerWaalsContact O-NH1 3.15Å; L535-R543 PolarHBondContact O-NH2 2.93Å; P537-R543 HydrophobicContact CB-CG 4.38Å; R543-T557 CarbonylContact C-O 3.58Å; R543-T557 WeakPolarHBondContact CA-O 3.29Å; R543-Y558 HydrophobicContact CB-CD1 3.9Å; R543-Y558 HydrophobicContact CB-CE1 3.76Å; R543-Y558 HydrophobicContact CB-CG 4.39Å
544T92.6Very high85.6Confident65 Ų6574.6 Ų74.640%0.39941%0.413SS..EExtended strand (participates in β ladder)trans-130.2134.6172.549.70000109.5L556 T557T544-L556 WeakPolarHBondContact O-CA 3.2Å; T544-T557 PolarHBondContact N-O 2.9Å; T544-T557 PolarHBondContact O-N 3.24Å; T544-T557 PolarHBondContact OG1-O 2.04Å
545A89.4Confident86Confident50 Ų5069.8 Ų69.841%0.41339%0.393SS..EExtended strand (participates in β ladder)trans-99.7150.1176.500000111.8H547 T554 V555 L556A545-H547 VanDerWaalsContact C-N 3.31Å; A545-H547 WeakPolarHBondContact CB-O 3.31Å; A545-T554 HydrophobicContact CB-CG2 4.46Å; A545-V555 CarbonylContact C-O 3.54Å; A545-V555 WeakPolarHBondContact CA-O 3.22Å; A545-L556 HydrophobicContact CB-CD2 3.65Å
546S86.4Confident86.2Confident64 Ų6468.6 Ų68.645%0.44839%0.387SS..SBendtrans-75.6-18.4173.864.40000114.2V555S546-V555 PolarHBondContact N-O 2.77Å; S546-V555 PolarHBondContact OG-N 2.79Å
547H74.8Confident86.6Confident109 Ų10966.6 Ų66.651%0.50537%0.373SS..SBendtrans-138.8160.5178.1-64.878.6000109.2A545 T554A545-H547 VanDerWaalsContact C-N 3.31Å; A545-H547 WeakPolarHBondContact CB-O 3.31Å; H547-T554 HydrophobicContact CB-CG2 4.33Å
548G72.3Confident86.8Confident82 Ų8263.1 Ų63.185%0.84535%0.35SS*.SBendtrans-67.3-46.617800000112.7
549D70.9Confident86.9Confident101 Ų10166.4 Ų66.454%0.5436%0.364SS..SBendtrans-90.1144.9174.7-61.2-68.3000111.9I551 T554D549-I551 HydrophobicContact CB-CG2 4.03Å; D549-I551 PolarHBondContact O-N 3.16Å; D549-T554 PolarHBondContact O-OG1 3.15Å
550L82.6Confident87Confident20 Ų2060 Ų6011%0.10534%0.336CS..  trans-8142.6-176-57.5178000113.3T531 C532 E534 T554 L556 C574 W580T531-L550 CarbonylContact C-O 3.56Å; T531-L550 VanDerWaalsContact CA-O 3.31Å; T531-L550 WeakPolarHBondContact CA-O 3.46Å; C532-L550 PolarHBondContact N-O 2.89Å; E534-L550 HydrophobicContact CB-CD1 3.91Å; E534-L550 HydrophobicContact CG-CD1 4.09Å; L550-T554 HydrophobicContact CD2-CG2 4.45Å; L550-L556 HydrophobicContact CD2-CD2 4.01Å; L550-C574 PolarHBondContact O-SG 2.94Å; L550-W580 HydrophobicContact CB-CH2 4.5Å; L550-W580 HydrophobicContact CB-CZ2 4.22Å; L550-W580 HydrophobicContact CD1-CZ2 4.32Å; L550-W580 HydrophobicContact CD2-CH2 4.25Å; L550-W580 HydrophobicContact CD2-CZ2 4.31Å
551I80.8Confident87.1Confident61 Ų6157.4 Ų57.431%0.31333%0.33SS..BIsolated β-bridgetrans-69.5163-17659.9172.2000113.3D530 T531 D549 G553 T554 C574D530-I551 WeakPolarHBondContact O-CA 3.41Å; T531-I551 HydrophobicContact CG2-CG2 3.95Å; D549-I551 HydrophobicContact CB-CG2 4.03Å; D549-I551 PolarHBondContact O-N 3.16Å; I551-G553 PolarHBondContact O-N 3.29Å; I551-T554 WeakPolarHBondContact CG1-OG1 3.44Å; I551-T554 PolarHBondContact N-OG1 2.75Å; I551-T554 WeakPolarHBondContact O-CB 3.08Å; I551-T554 PolarHBondContact O-N 2.73Å; I551-T554 PolarHBondContact O-OG1 2.84Å; I551-C574 VanDerWaalsContact C-SG 3.58Å; I551-C574 WeakPolarHBondContact O-CB 3.42Å; I551-C574 PolarHBondContact O-SG 3.47Å
552R80.8Confident86.9Confident122 Ų12261.9 Ų61.946%0.4636%0.356SS..THydrogen-bonded Turntrans-41.4130169.9-72.6-179.9167.4129.6-2.7112.7D530 T554 W576 L578D530-R552 PolarHBondContact O-N 2.81Å; D530-R552 VanDerWaalsContact O-N 3.14Å; D530-R552 IonicContact OD1-NH1 2.96Å; D530-R552 IonicContact OD2-NH1 3.14Å; R552-T554 VanDerWaalsContact C-N 3.27Å; R552-T554 PolarHBondContact O-N 3.06Å; R552-W576 VanDerWaalsContact CZ-O 3.31Å; R552-W576 PolarHBondContact NE-O 3.31Å; R552-W576 PolarHBondContact NH2-O 2.78Å; R552-L578 HydrophobicContact CG-CD2 3.58Å
553G80.9Confident86.5Confident53 Ų5357.2 Ų57.255%0.54634%0.34SS..THydrogen-bonded Turntrans81.9-6-177.100000115.1I551 C574I551-G553 PolarHBondContact O-N 3.29Å; G553-C574 PolarHBondContact N-O 2.76Å
554T85.4Confident86.3Confident1 Ų156.7 Ų56.71%0.00634%0.339CS..  trans-62.2141.2172-58.70000110.4A545 H547 D549 L550 I551 R552 T573 C574A545-T554 HydrophobicContact CB-CG2 4.46Å; H547-T554 HydrophobicContact CB-CG2 4.33Å; D549-T554 PolarHBondContact O-OG1 3.15Å; L550-T554 HydrophobicContact CD2-CG2 4.45Å; I551-T554 WeakPolarHBondContact CG1-OG1 3.44Å; I551-T554 PolarHBondContact N-OG1 2.75Å; I551-T554 WeakPolarHBondContact O-CB 3.08Å; I551-T554 PolarHBondContact O-N 2.73Å; I551-T554 PolarHBondContact O-OG1 2.84Å; R552-T554 VanDerWaalsContact C-N 3.27Å; R552-T554 PolarHBondContact O-N 3.06Å; T554-T573 WeakPolarHBondContact O-CA 3.31Å; T554-C574 PolarHBondContact O-N 3.4Å
555V92.7Very high86.2Confident44 Ų4457.8 Ų57.827%0.26734%0.34SS..EExtended strand (participates in β ladder)trans-114.4124.4-177.7-172.10000108A545 S546 I571 L572 T573A545-V555 CarbonylContact C-O 3.54Å; A545-V555 WeakPolarHBondContact CA-O 3.22Å; S546-V555 PolarHBondContact N-O 2.77Å; S546-V555 PolarHBondContact OG-N 2.79Å; V555-I571 HydrophobicContact CG1-CG2 3.51Å; V555-L572 WeakPolarHBondContact CA-O 3.39Å; V555-T573 HydrophobicContact CG1-CG2 4.31Å; V555-T573 HydrophobicContact CG2-CG2 4.19Å
556L93.6Very high86.4Confident0 Ų057.8 Ų57.80%033%0.332CS..EExtended strand (participates in β ladder)trans-98.4134166.8-66178.3000108.9L535 T544 A545 L550 Y558 I571 L572 W580L535-L556 HydrophobicContact CD1-CD1 4.26Å; T544-L556 WeakPolarHBondContact O-CA 3.2Å; A545-L556 HydrophobicContact CB-CD2 3.65Å; L550-L556 HydrophobicContact CD2-CD2 4.01Å; L556-Y558 HydrophobicContact CB-CD2 4.42Å; L556-Y558 HydrophobicContact CB-CE2 3.8Å; L556-Y558 HydrophobicContact CD1-CE2 4.28Å; L556-I571 WeakPolarHBondContact O-CA 3.43Å; L556-L572 HydrophobicContact CB-CB 4.3Å; L556-L572 PolarHBondContact N-O 2.98Å; L556-L572 PolarHBondContact O-N 2.83Å; L556-W580 HydrophobicContact CB-CZ3 4.43Å; L556-W580 HydrophobicContact CD1-CD2 4.46Å; L556-W580 HydrophobicContact CD1-CE3 4.26Å; L556-W580 HydrophobicContact CD1-CH2 3.5Å; L556-W580 VanDerWaalsContact CD1-CH2 3.5Å; L556-W580 HydrophobicContact CD1-CZ2 3.69Å; L556-W580 HydrophobicContact CD1-CZ3 3.79Å; L556-W580 HydrophobicContact CD2-CH2 4.45Å; L556-W580 HydrophobicContact CG-CH2 3.58Å; L556-W580 HydrophobicContact CG-CZ2 4.28Å; L556-W580 HydrophobicContact CG-CZ3 3.74Å
557T94.3Very high86.7Confident44 Ų4458.7 Ų58.727%0.2733%0.332SS..EExtended strand (participates in β ladder)trans-117.9129172.4-55.10000109.4R543 T544 D570 I571R543-T557 CarbonylContact C-O 3.58Å; R543-T557 WeakPolarHBondContact CA-O 3.29Å; T544-T557 PolarHBondContact N-O 2.9Å; T544-T557 PolarHBondContact O-N 3.24Å; T544-T557 PolarHBondContact OG1-O 2.04Å; T557-D570 CarbonylContact C-O 3.55Å; T557-D570 VanDerWaalsContact CA-O 3.31Å; T557-D570 WeakPolarHBondContact CA-O 3.44Å; T557-I571 HydrophobicContact CG2-CG1 4.5Å
558Y94.8Very high87.5Confident5 Ų556.5 Ų56.52%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-108.6138.1-176.7-72.6-97000110.9L535 P538 R543 L556 D570 L572 P585L535-Y558 WeakPolarHBondContact CB-OH 3.45Å; P538-Y558 HydrophobicContact CG-CD1 4.07Å; R543-Y558 HydrophobicContact CB-CD1 3.9Å; R543-Y558 HydrophobicContact CB-CE1 3.76Å; R543-Y558 HydrophobicContact CB-CG 4.39Å; L556-Y558 HydrophobicContact CB-CD2 4.42Å; L556-Y558 HydrophobicContact CB-CE2 3.8Å; L556-Y558 HydrophobicContact CD1-CE2 4.28Å; Y558-D570 PolarHBondContact N-O 3.48Å; Y558-L572 HydrophobicContact CD2-CD1 4.18Å; Y558-L572 HydrophobicContact CE2-CB 4.38Å; Y558-L572 HydrophobicContact CE2-CD1 4.06Å; Y558-L572 HydrophobicContact CE2-CD2 4.08Å; Y558-L572 HydrophobicContact CE2-CG 4.41Å; Y558-P585 HydrophobicContact CD1-CG 3.71Å; Y558-P585 HydrophobicContact CD2-CG 3.95Å; Y558-P585 HydrophobicContact CE1-CG 4.37Å; Y558-P585 HydrophobicContact CG-CG 3.47Å; Y558-P585 VanDerWaalsContact CG-CG 3.47Å
559Q94Very high88.4Confident86 Ų8654.9 Ų54.940%0.40231%0.314SS..EExtended strand (participates in β ladder)trans-139.9144.4-179-73.6168.680.400109.9G541 W542G541-Q559 CarbonylContact C-O 3.55Å; G541-Q559 WeakPolarHBondContact CA-O 3.25Å; W542-Q559 HydrophobicContact CD2-CB 4.04Å; W542-Q559 VanDerWaalsContact CE2-CB 3.48Å; W542-Q559 HydrophobicContact CH2-CB 4.02Å; W542-Q559 HydrophobicContact CZ2-CB 3.49Å; W542-Q559 VanDerWaalsContact CZ2-CB 3.49Å; W542-Q559 HydrophobicContact CZ2-CG 4.23Å; W542-Q559 PolarHBondContact N-O 2.81Å; W542-Q559 PolarHBondContact O-N 3.22Å
560C93.6Very high89.5Confident25 Ų2554.5 Ų54.517%0.16931%0.312CS..EExtended strand (participates in β ladder)trans-104157.9179.4-60.80000112.3L566 C587C560-L566 WeakPolarHBondContact SG-CD1 3.42Å; C560-C587 VanDerWaalsContact CA-SG 3.5Å; C560-C587 HydrophobicContact CB-CB 3.79Å; C560-C587 WeakPolarHBondContact CB-SG 3.37Å; C560-C587 VanDerWaalsContact SG-CA 3.56Å; C560-C587 WeakPolarHBondContact SG-CB 3.42Å; C560-C587 CovalentContact SG-SG 2.04Å; C560-C587 PolarHBondContact SG-SG 3.36Å
561E91.3Very high90Very high85 Ų8557.3 Ų57.340%0.39733%0.326SS..  trans-69153.4175.4-71.3-172.1154.700113W540 W542 G563 Y564W540-E561 WeakPolarHBondContact O-CB 3.38Å; W540-E561 PolarHBondContact O-N 2.84Å; W542-E561 HydrophobicContact CZ3-CG 4.28Å; E561-G563 PolarHBondContact O-N 3.47Å; E561-Y564 HydrophobicContact CB-CD2 4.48Å; E561-Y564 PolarHBondContact O-N 3.47Å
562P87.8Confident90.6Very high112 Ų11254.4 Ų54.473%0.72731%0.311SS*.THydrogen-bonded Turntrans-58.7113.8-177.2-25.435.4000113.2G641P562-G641 WeakPolarHBondContact O-CA 3.36Å
563G84Confident91.2Very high7 Ų751.2 Ų51.27%0.07231%0.306CS..THydrogen-bonded Turntrans112.8-4.6-174.300000114.1E561 I590E561-G563 PolarHBondContact O-N 3.47Å; G563-I590 WeakPolarHBondContact O-CB 3.04Å; G563-I590 PolarHBondContact O-N 2.03Å
564Y89.6Confident91.6Very high54 Ų5448.9 Ų48.921%0.21228%0.281CS..EExtended strand (participates in β ladder)trans-113.2148.3172.2-66.9-111.8000110.5W540 E561 C587 Q588 K589W540-Y564 HydrophobicContact CB-CD1 3.72Å; W540-Y564 HydrophobicContact CB-CD2 4.17Å; W540-Y564 HydrophobicContact CB-CE1 3.53Å; W540-Y564 HydrophobicContact CB-CE2 4.03Å; W540-Y564 HydrophobicContact CB-CG 4.06Å; W540-Y564 AromaticContact CD1-CE1 3.62Å; W540-Y564 HydrophobicContact CD2-CE1 4.25Å; W540-Y564 AromaticContact CD2-CZ 3.85Å; W540-Y564 HydrophobicContact CG-CD1 4.17Å; W540-Y564 AromaticContact CG-CE1 3.47Å; W540-Y564 HydrophobicContact CG-CE1 3.47Å; W540-Y564 VanDerWaalsContact CG-CE1 3.47Å; W540-Y564 HydrophobicContact CG-CE2 4.25Å; W540-Y564 AromaticContact CG-CZ 3.53Å; E561-Y564 HydrophobicContact CB-CD2 4.48Å; E561-Y564 PolarHBondContact O-N 3.47Å; Y564-C587 HydrophobicContact CD1-CB 4.21Å; Y564-Q588 CarbonylContact C-O 3.5Å; Y564-Q588 WeakPolarHBondContact CA-O 3.05Å; Y564-K589 HydrophobicContact CD1-CB 4.04Å; Y564-K589 HydrophobicContact CE1-CB 3.81Å
565E90.4Very high91.6Very high89 Ų8952.4 Ų52.442%0.41630%0.298SS..EExtended strand (participates in β ladder)trans-110.3148.1172.260.9-174.9-174.700110.9C587 Q588 I590E565-C587 CarbonylContact O-C 3.5Å; E565-C587 WeakPolarHBondContact O-CA 3.33Å; E565-Q588 PolarHBondContact N-O 3.35Å; E565-Q588 PolarHBondContact O-N 2.61Å; E565-I590 HydrophobicContact CB-CD1 4.02Å; E565-I590 HydrophobicContact CB-CG1 3.81Å; E565-I590 HydrophobicContact CG-CG1 3.87Å
566L92.8Very high90.7Very high49 Ų4960.1 Ų60.126%0.25732%0.322SS..EExtended strand (participates in β ladder)trans-86121.1-178.4-168.885000110.6C560 D570 P585C560-L566 WeakPolarHBondContact SG-CD1 3.42Å; L566-D570 HydrophobicContact CD2-CB 3.66Å; L566-P585 HydrophobicContact CD1-CB 3.72Å; L566-P585 HydrophobicContact CD1-CG 3.76Å; L566-P585 HydrophobicContact CD2-CB 4.13Å; L566-P585 HydrophobicContact CD2-CG 4.28Å; L566-P585 HydrophobicContact CG-CB 3.85Å; L566-P585 HydrophobicContact CG-CG 4.28Å
567L93.7Very high90.1Very high84 Ų8464.1 Ų64.144%0.4434%0.343SS..EExtended strand (participates in β ladder)trans-100.5105.9171.6-58.7-176.5000110.1P585 A586 Q588L567-P585 VanDerWaalsContact O-CA 3.27Å; L567-P585 WeakPolarHBondContact O-CA 3.36Å; L567-P585 VanDerWaalsContact O-CB 3.31Å; L567-P585 WeakPolarHBondContact O-CB 3.31Å; L567-A586 PolarHBondContact N-O 3.35Å; L567-A586 PolarHBondContact O-N 3.5Å; L567-Q588 HydrophobicContact CD1-CB 3.74Å; L567-Q588 HydrophobicContact CG-CB 4.12Å
568G90.8Very high89.5Confident62 Ų6263.8 Ų63.864%0.63934%0.34SS*.SBendtrans132.3-156.9178.700000111.9
569S92.9Very high89.2Confident49 Ų4965.4 Ų65.434%0.34335%0.352SS..  trans-83.9127.7173.2-62.70000110.5I571 L572 P585S569-I571 VanDerWaalsContact C-N 3.28Å; S569-L572 WeakPolarHBondContact O-CD1 3.07Å; S569-P585 WeakPolarHBondContact O-CG 3.27Å
570D92.4Very high89Confident92 Ų9262.7 Ų62.749%0.49234%0.338SS..SBendtrans-68.1-28.9170.463.4-31.1000112.4T557 Y558 L566T557-D570 CarbonylContact C-O 3.55Å; T557-D570 VanDerWaalsContact CA-O 3.31Å; T557-D570 WeakPolarHBondContact CA-O 3.44Å; Y558-D570 PolarHBondContact N-O 3.48Å; L566-D570 HydrophobicContact CD2-CB 3.66Å
571I93.9Very high89Confident79 Ų7964 Ų6441%0.40535%0.348SS..EExtended strand (participates in β ladder)trans-120.9122.9-180-61.7173.3000110.6V555 L556 T557 S569 T573V555-I571 HydrophobicContact CG1-CG2 3.51Å; L556-I571 WeakPolarHBondContact O-CA 3.43Å; T557-I571 HydrophobicContact CG2-CG1 4.5Å; S569-I571 VanDerWaalsContact C-N 3.28Å; I571-T573 HydrophobicContact CG2-CG2 4.34Å
572L93.4Very high89Confident0 Ų061.5 Ų61.50%034%0.341CS..EExtended strand (participates in β ladder)trans-114.1137.6171.9-86.867.3000109.5L535 V555 L556 Y558 S569 W580 A582L535-L572 HydrophobicContact CD1-CD2 3.52Å; V555-L572 WeakPolarHBondContact CA-O 3.39Å; L556-L572 HydrophobicContact CB-CB 4.3Å; L556-L572 PolarHBondContact N-O 2.98Å; L556-L572 PolarHBondContact O-N 2.83Å; Y558-L572 HydrophobicContact CD2-CD1 4.18Å; Y558-L572 HydrophobicContact CE2-CB 4.38Å; Y558-L572 HydrophobicContact CE2-CD1 4.06Å; Y558-L572 HydrophobicContact CE2-CD2 4.08Å; Y558-L572 HydrophobicContact CE2-CG 4.41Å; S569-L572 WeakPolarHBondContact O-CD1 3.07Å; L572-W580 HydrophobicContact CB-CE3 4.01Å; L572-W580 HydrophobicContact CD2-CB 4.36Å; L572-A582 HydrophobicContact CD1-CB 4.31Å; L572-A582 WeakPolarHBondContact CD2-O 3.44Å; L572-A582 HydrophobicContact CG-CB 4.2Å
573T92.1Very high89.1Confident55 Ų5559.8 Ų59.834%0.33734%0.337SS..EExtended strand (participates in β ladder)trans-120.4140.5178.460.80000112.1T554 V555 I571 Q575 W580 S581T554-T573 WeakPolarHBondContact O-CA 3.31Å; V555-T573 HydrophobicContact CG1-CG2 4.31Å; V555-T573 HydrophobicContact CG2-CG2 4.19Å; I571-T573 HydrophobicContact CG2-CG2 4.34Å; T573-Q575 PolarHBondContact O-N 2.76Å; T573-W580 VanDerWaalsContact C-CE3 3.42Å; T573-S581 PolarHBondContact N-OG 3.14Å; T573-S581 PolarHBondContact O-N 2.8Å; T573-S581 WeakPolarHBondContact OG1-CB 3.34Å
574C89.4Confident89.4Confident5 Ų562.5 Ų62.53%0.03435%0.353CS..BIsolated β-bridgetrans-79.4114.5176.81780000109.9C532 L550 I551 G553 T554 W580C532-C574 HydrophobicContact CB-CB 3.89Å; C532-C574 WeakPolarHBondContact CB-SG 3.45Å; C532-C574 WeakPolarHBondContact SG-CA 3.09Å; C532-C574 WeakPolarHBondContact SG-CB 3.24Å; C532-C574 CovalentContact SG-SG 2.03Å; C532-C574 PolarHBondContact SG-SG 3.36Å; L550-C574 PolarHBondContact O-SG 2.94Å; I551-C574 VanDerWaalsContact C-SG 3.58Å; I551-C574 WeakPolarHBondContact O-CB 3.42Å; I551-C574 PolarHBondContact O-SG 3.47Å; G553-C574 PolarHBondContact N-O 2.76Å; T554-C574 PolarHBondContact O-N 3.4Å; C574-W580 HydrophobicContact CB-CE3 4.2Å; C574-W580 HydrophobicContact CB-CH2 3.92Å; C574-W580 HydrophobicContact CB-CZ3 3.77Å
575Q85.8Confident89.6Confident75 Ų7560.4 Ų60.435%0.3535%0.346SS..  trans-85.4171.9-170.4-60.1-166.9104.500112.9T573 D577 L578 S579T573-Q575 PolarHBondContact O-N 2.76Å; Q575-D577 VanDerWaalsContact CB-OD1 3.29Å; Q575-D577 WeakPolarHBondContact CB-OD1 3.21Å; Q575-D577 PolarHBondContact O-N 2.8Å; Q575-L578 PolarHBondContact O-N 3.1Å; Q575-L578 VanDerWaalsContact O-N 3.09Å; Q575-S579 WeakPolarHBondContact CB-O 3.24Å; Q575-S579 PolarHBondContact N-O 2.92Å; Q575-S579 PolarHBondContact NE2-OG 2.93Å
576W74.7Confident89.8Confident205 Ų20558.9 Ų58.978%0.77735%0.348SS*.THydrogen-bonded Turntrans-64.3-27.4-177.166.7-87.4000113.5R552 L578R552-W576 VanDerWaalsContact CZ-O 3.31Å; R552-W576 PolarHBondContact NE-O 3.31Å; R552-W576 PolarHBondContact NH2-O 2.78Å; W576-L578 VanDerWaalsContact C-N 3.29Å
577D81.5Confident89.9Confident84 Ų8457.4 Ų57.445%0.44934%0.342SS..THydrogen-bonded Turntrans-85.23.8176.767.7-12.4000113.7Q575 S579Q575-D577 VanDerWaalsContact CB-OD1 3.29Å; Q575-D577 WeakPolarHBondContact CB-OD1 3.21Å; Q575-D577 PolarHBondContact O-N 2.8Å; D577-S579 VanDerWaalsContact C-N 3.28Å; D577-S579 VanDerWaalsContact CG-OG 3.22Å; D577-S579 PolarHBondContact O-N 2.86Å; D577-S579 VanDerWaalsContact OD1-CB 3.32Å; D577-S579 WeakPolarHBondContact OD1-CB 3.34Å; D577-S579 PolarHBondContact OD1-N 2.95Å; D577-S579 PolarHBondContact OD1-OG 3.18Å; D577-S579 PolarHBondContact OD2-OG 2.87Å; D577-S579 VanDerWaalsContact OD2-OG 3.1Å
578L80.2Confident89.7Confident38 Ų3858.5 Ų58.520%0.19935%0.345CS..SBendtrans67.220.8-174.7-46.8-178.8000114.6N529 D530 C532 P533 R552 Q575 W576N529-L578 WeakPolarHBondContact O-CD1 3.2Å; D530-L578 WeakPolarHBondContact O-CD2 3.25Å; C532-L578 PolarHBondContact SG-O 3.36Å; C532-L578 VanDerWaalsContact SG-O 3.36Å; P533-L578 VanDerWaalsContact CD-O 3.25Å; P533-L578 WeakPolarHBondContact CD-O 3.38Å; R552-L578 HydrophobicContact CG-CD2 3.58Å; Q575-L578 PolarHBondContact O-N 3.1Å; Q575-L578 VanDerWaalsContact O-N 3.09Å; W576-L578 VanDerWaalsContact C-N 3.29Å
579S88.4Confident89.6Confident39 Ų3959.1 Ų59.127%0.27333%0.33SS..  trans-92.2163.7166.4740000112.3C532 Q575 D577C532-S579 PolarHBondContact SG-O 2.87Å; C532-S579 VanDerWaalsContact SG-O 3.35Å; Q575-S579 WeakPolarHBondContact CB-O 3.24Å; Q575-S579 PolarHBondContact N-O 2.92Å; Q575-S579 PolarHBondContact NE2-OG 2.93Å; D577-S579 VanDerWaalsContact C-N 3.28Å; D577-S579 VanDerWaalsContact CG-OG 3.22Å; D577-S579 PolarHBondContact O-N 2.86Å; D577-S579 VanDerWaalsContact OD1-CB 3.32Å; D577-S579 WeakPolarHBondContact OD1-CB 3.34Å; D577-S579 PolarHBondContact OD1-N 2.95Å; D577-S579 PolarHBondContact OD1-OG 3.18Å; D577-S579 PolarHBondContact OD2-OG 2.87Å; D577-S579 VanDerWaalsContact OD2-OG 3.1Å
580W91.4Very high89.4Confident29 Ų2958.2 Ų58.211%0.1132%0.321CS..BIsolated β-bridgetrans-88.1145.3166.5-68.6102.7000111C532 P533 L535 L550 L556 L572 T573 C574 A582C532-W580 HydrophobicContact CB-CD2 4.25Å; C532-W580 HydrophobicContact CB-CH2 4.36Å; C532-W580 HydrophobicContact CB-CZ2 3.62Å; P533-W580 PolarHBondContact O-NE1 2.85Å; L535-W580 HydrophobicContact CD1-CB 4.44Å; L535-W580 HydrophobicContact CD1-CD2 4.04Å; L535-W580 HydrophobicContact CD1-CG 3.77Å; L535-W580 HydrophobicContact CG-CG 4.44Å; L550-W580 HydrophobicContact CB-CH2 4.5Å; L550-W580 HydrophobicContact CB-CZ2 4.22Å; L550-W580 HydrophobicContact CD1-CZ2 4.32Å; L550-W580 HydrophobicContact CD2-CH2 4.25Å; L550-W580 HydrophobicContact CD2-CZ2 4.31Å; L556-W580 HydrophobicContact CB-CZ3 4.43Å; L556-W580 HydrophobicContact CD1-CD2 4.46Å; L556-W580 HydrophobicContact CD1-CE3 4.26Å; L556-W580 HydrophobicContact CD1-CH2 3.5Å; L556-W580 VanDerWaalsContact CD1-CH2 3.5Å; L556-W580 HydrophobicContact CD1-CZ2 3.69Å; L556-W580 HydrophobicContact CD1-CZ3 3.79Å; L556-W580 HydrophobicContact CD2-CH2 4.45Å; L556-W580 HydrophobicContact CG-CH2 3.58Å; L556-W580 HydrophobicContact CG-CZ2 4.28Å; L556-W580 HydrophobicContact CG-CZ3 3.74Å; L572-W580 HydrophobicContact CB-CE3 4.01Å; L572-W580 HydrophobicContact CD2-CB 4.36Å; T573-W580 VanDerWaalsContact C-CE3 3.42Å; C574-W580 HydrophobicContact CB-CE3 4.2Å; C574-W580 HydrophobicContact CB-CH2 3.92Å; C574-W580 HydrophobicContact CB-CZ3 3.77Å; W580-A582 PolarHBondContact O-N 2.97Å; W580-A582 VanDerWaalsContact O-N 3.13Å
581S92.3Very high89.1Confident53 Ų5358.5 Ų58.537%0.37132%0.32SS..SBendtrans-60.1-20.3179.163.20000115.2T573T573-S581 PolarHBondContact N-OG 3.14Å; T573-S581 PolarHBondContact O-N 2.8Å; T573-S581 WeakPolarHBondContact OG1-CB 3.34Å
582A90.8Very high88.9Confident31 Ų3157.8 Ų57.826%0.25632%0.32SS..SBendtrans-153.2168.5177.900000110.6L572 W580L572-A582 HydrophobicContact CD1-CB 4.31Å; L572-A582 WeakPolarHBondContact CD2-O 3.44Å; L572-A582 HydrophobicContact CG-CB 4.2Å; W580-A582 PolarHBondContact O-N 2.97Å; W580-A582 VanDerWaalsContact O-N 3.13Å
583A90.6Very high88.7Confident77 Ų7758 Ų5864%0.63632%0.322SS*.PPolyproline II helixtrans-70.5152.516700000110.9
584P91.1Very high88.5Confident64 Ų6459.5 Ų59.542%0.41634%0.339SS..PPolyproline II helixtrans-60.8138.2176.624.8-34000111.3L535L535-P584 HydrophobicContact CD1-CB 4.36Å; L535-P584 HydrophobicContact CD2-CG 4.36Å
585P93.9Very high88.5Confident9 Ų963.3 Ų63.36%0.05836%0.359CS..PPolyproline II helixtrans-76.7164.4178.834.4-38.5000112.4Y558 L566 L567 S569Y558-P585 HydrophobicContact CD1-CG 3.71Å; Y558-P585 HydrophobicContact CD2-CG 3.95Å; Y558-P585 HydrophobicContact CE1-CG 4.37Å; Y558-P585 HydrophobicContact CG-CG 3.47Å; Y558-P585 VanDerWaalsContact CG-CG 3.47Å; L566-P585 HydrophobicContact CD1-CB 3.72Å; L566-P585 HydrophobicContact CD1-CG 3.76Å; L566-P585 HydrophobicContact CD2-CB 4.13Å; L566-P585 HydrophobicContact CD2-CG 4.28Å; L566-P585 HydrophobicContact CG-CB 3.85Å; L566-P585 HydrophobicContact CG-CG 4.28Å; L567-P585 VanDerWaalsContact O-CA 3.27Å; L567-P585 WeakPolarHBondContact O-CA 3.36Å; L567-P585 VanDerWaalsContact O-CB 3.31Å; L567-P585 WeakPolarHBondContact O-CB 3.31Å; S569-P585 WeakPolarHBondContact O-CG 3.27Å
586A93.9Very high88.6Confident57 Ų5760.6 Ų60.647%0.47135%0.348SS..EExtended strand (participates in β ladder)trans-121.2148.7174.600000111.4L567L567-A586 PolarHBondContact N-O 3.35Å; L567-A586 PolarHBondContact O-N 3.5Å
587C94.2Very high89.2Confident18 Ų1852 Ų5212%0.12232%0.323CS..EExtended strand (participates in β ladder)trans-96.3117.7176.3-64.50000110.7E539 C560 Y564 E565E539-C587 WeakPolarHBondContact O-CB 3.42Å; C560-C587 VanDerWaalsContact CA-SG 3.5Å; C560-C587 HydrophobicContact CB-CB 3.79Å; C560-C587 WeakPolarHBondContact CB-SG 3.37Å; C560-C587 VanDerWaalsContact SG-CA 3.56Å; C560-C587 WeakPolarHBondContact SG-CB 3.42Å; C560-C587 CovalentContact SG-SG 2.04Å; C560-C587 PolarHBondContact SG-SG 3.36Å; Y564-C587 HydrophobicContact CD1-CB 4.21Å; E565-C587 CarbonylContact O-C 3.5Å; E565-C587 WeakPolarHBondContact O-CA 3.33Å
588Q91.1Very high89.5Confident108 Ų10855.2 Ų55.251%0.50534%0.335SS..EExtended strand (participates in β ladder)trans-101.6137.2175.4-177.6166.539.500110.8Y564 E565 L567 I590Y564-Q588 CarbonylContact C-O 3.5Å; Y564-Q588 WeakPolarHBondContact CA-O 3.05Å; E565-Q588 PolarHBondContact N-O 3.35Å; E565-Q588 PolarHBondContact O-N 2.61Å; L567-Q588 HydrophobicContact CD1-CB 3.74Å; L567-Q588 HydrophobicContact CG-CB 4.12Å; Q588-I590 PolarHBondContact O-N 2.92Å
589K87.3Confident90Very high74 Ų7454.3 Ų54.332%0.32233%0.331SS..EExtended strand (participates in β ladder)trans-66.2128.1176-175.2166.3-178.3162.40110.8Y564 M591Y564-K589 HydrophobicContact CD1-CB 4.04Å; Y564-K589 HydrophobicContact CE1-CB 3.81Å; K589-M591 HydrophobicContact CD-SD 4.25Å; K589-M591 HydrophobicContact CG-SD 4.11Å; K589-M591 PolarHBondContact O-N 3.03Å
590I89.1Confident90.1Very high31 Ų3156.1 Ų56.116%0.15935%0.348CS..PPolyproline II helixtrans-72.7117.2178.8-60.7163.9000108.6G563 E565 Q588 T642 P643G563-I590 WeakPolarHBondContact O-CB 3.04Å; G563-I590 PolarHBondContact O-N 2.03Å; E565-I590 HydrophobicContact CB-CD1 4.02Å; E565-I590 HydrophobicContact CB-CG1 3.81Å; E565-I590 HydrophobicContact CG-CG1 3.87Å; Q588-I590 PolarHBondContact O-N 2.92Å; I590-T642 HydrophobicContact CD1-CG2 3.75Å; I590-P643 VanDerWaalsContact O-CD 3.24Å; I590-P643 WeakPolarHBondContact O-CD 3.35Å; I590-P643 WeakPolarHBondContact O-CG 3.44Å
591M86.3Confident89.9Confident97 Ų9758 Ų5848%0.47836%0.361SS..  trans-111.612.3-176.7-66-59.5-62.500113.6K589 P612 V613K589-M591 HydrophobicContact CD-SD 4.25Å; K589-M591 HydrophobicContact CG-SD 4.11Å; K589-M591 PolarHBondContact O-N 3.03Å; M591-P612 WeakPolarHBondContact O-CA 3.45Å; M591-V613 HydrophobicContact CE-CG2 4.44Å; M591-V613 PolarHBondContact O-N 2.93Å
592T89.5Confident89.8Confident64 Ų6456.5 Ų56.539%0.39335%0.353SS..BIsolated β-bridgetrans-123.3152.7-179.353.20000111.5G610 F611T592-G610 VanDerWaalsContact CG2-O 3.24Å; T592-G610 WeakPolarHBondContact CG2-O 3.39Å; T592-F611 CarbonylContact C-O 3.58Å; T592-F611 WeakPolarHBondContact CA-O 3.48Å
593C89.1Confident89.8Confident6 Ų659.2 Ų59.24%0.04136%0.36CS..PPolyproline II helixtrans-91145.1167.3-70.90000110.5F611 C635 K644 W645C593-F611 HydrophobicContact CB-CB 4.49Å; C593-F611 PolarHBondContact N-O 2.87Å; C593-F611 WeakPolarHBondContact O-CB 3.45Å; C593-C635 HydrophobicContact CB-CB 3.88Å; C593-C635 WeakPolarHBondContact CB-SG 3.16Å; C593-C635 VanDerWaalsContact SG-CA 3.51Å; C593-C635 WeakPolarHBondContact SG-CB 3.32Å; C593-C635 CovalentContact SG-SG 2.04Å; C593-C635 PolarHBondContact SG-SG 3.13Å; C593-K644 VanDerWaalsContact SG-C 3.52Å; C593-K644 PolarHBondContact SG-N 3.47Å; C593-W645 HydrophobicContact CB-CD2 4.18Å; C593-W645 HydrophobicContact CB-CH2 4.39Å; C593-W645 HydrophobicContact CB-CZ2 3.63Å
594A88.4Confident89.8Confident85 Ų8558.8 Ų58.870%0.70234%0.342SS*.PPolyproline II helixtrans-60.5148.417100000111.5P596 W645A594-P596 WeakPolarHBondContact O-CD 3.4Å; A594-W645 PolarHBondContact O-NE1 2.78Å
595D90Very high89.8Confident86 Ų8659.4 Ų59.446%0.4635%0.345SS..PPolyproline II helixtrans-57119.9-178.9-173.3-14.2000110.9G597 R604 F611D595-G597 PolarHBondContact O-N 3.01Å; D595-G597 PolarHBondContact OD1-N 2.89Å; D595-R604 IonicContact OD1-CZ 2.74Å; D595-R604 IonicContact OD1-NH1 2.71Å; D595-R604 PolarHBondContact OD1-NH1 2.96Å; D595-R604 IonicContact OD1-NH2 2.74Å; D595-R604 IonicContact OD2-CZ 2.71Å; D595-R604 IonicContact OD2-NH1 2.74Å; D595-R604 PolarHBondContact OD2-NH1 2.78Å; D595-R604 IonicContact OD2-NH2 3.91Å; D595-R604 PolarHBondContact OD2-NH2 2.92Å; D595-F611 HydrophobicContact CB-CD2 4.36Å; D595-F611 HydrophobicContact CB-CE2 3.69Å; D595-F611 HydrophobicContact CB-CZ 4.42Å
596P87.3Confident89.7Confident17 Ų1761 Ų6111%0.1136%0.359CS..  trans-72.4-3.7177.730.6-34.7000113.7A594 V617 Y619 L633 W645 V649A594-P596 WeakPolarHBondContact O-CD 3.4Å; P596-V617 HydrophobicContact CG-CG2 4.21Å; P596-Y619 WeakPolarHBondContact CG-OH 3.34Å; P596-L633 HydrophobicContact CB-CD1 4.07Å; P596-W645 HydrophobicContact CG-CD2 4.45Å; P596-W645 HydrophobicContact CG-CZ2 3.86Å; P596-V649 HydrophobicContact CB-CG2 4.27Å; P596-V649 WeakPolarHBondContact O-CG2 3.29Å
597G87.6Confident89.5Confident25 Ų2560.6 Ų60.626%0.25835%0.353SS..  trans77.5-171.7173.600000114.9D595 R604 Y619D595-G597 PolarHBondContact O-N 3.01Å; D595-G597 PolarHBondContact OD1-N 2.89Å; G597-R604 VanDerWaalsContact C-NH1 3.31Å; G597-R604 WeakPolarHBondContact O-CD 3.27Å; G597-R604 PolarHBondContact O-NH1 3.47Å; G597-Y619 PolarHBondContact O-OH 3.29Å
598E88.2Confident89.2Confident151 Ų15163.3 Ų63.371%0.70637%0.366SS*.  trans-108.1155.2-178.2-71.5-175.5179.800111.9R604E598-R604 HydrophobicContact CG-CG 4.12Å; E598-R604 IonicContact OE1-CZ 3.75Å; E598-R604 IonicContact OE1-NE 3.17Å; E598-R604 PolarHBondContact OE1-NE 3.22Å; E598-R604 VanDerWaalsContact OE1-NE 3.14Å; E598-R604 IonicContact OE1-NH2 3.16Å
599I90.6Very high88.7Confident19 Ų1963.5 Ų63.510%0.09739%0.386CS..  trans-111.4135.5-177.964174.1000110.8G602 Y619 V649 P650 C652I599-G602 PolarHBondContact O-N 2.64Å; I599-Y619 HydrophobicContact CB-CD1 4.45Å; I599-Y619 HydrophobicContact CD1-CD1 3.63Å; I599-Y619 HydrophobicContact CD1-CG 4.13Å; I599-Y619 HydrophobicContact CG1-CD1 3.83Å; I599-Y619 HydrophobicContact CG1-CE1 4.38Å; I599-Y619 HydrophobicContact CG2-CD1 3.82Å; I599-Y619 HydrophobicContact CG2-CE1 3.74Å; I599-V649 HydrophobicContact CG2-CG1 3.58Å; I599-P650 VanDerWaalsContact CG2-O 3.26Å; I599-P650 WeakPolarHBondContact CG2-O 3.35Å; I599-C652 VanDerWaalsContact CD1-SG 3.57Å
600A88.6Confident88.3Confident78 Ų7862 Ų6265%0.64539%0.392SS*.THydrogen-bonded Turntrans-62140.8172.400000110.3G602 C652A600-G602 PolarHBondContact O-N 3.4Å; A600-C652 WeakPolarHBondContact O-CB 3.41Å
601N89Confident88.4Confident69 Ų6961.6 Ų61.637%0.36939%0.389SS..THydrogen-bonded Turntrans5828.5-179.2-52.6-47.8000115L622 Y625 C652N601-L622 WeakPolarHBondContact O-CB 3.48Å; N601-L622 WeakPolarHBondContact O-CG 3.34Å; N601-L622 PolarHBondContact O-N 2.65Å; N601-Y625 HydrophobicContact CB-CD1 3.67Å; N601-Y625 HydrophobicContact CB-CD2 4.05Å; N601-Y625 HydrophobicContact CB-CE1 3.55Å; N601-Y625 HydrophobicContact CB-CE2 3.95Å; N601-Y625 HydrophobicContact CB-CG 3.93Å; N601-Y625 VanDerWaalsContact CG-CE1 3.46Å; N601-Y625 VanDerWaalsContact CG-CZ 3.44Å; N601-Y625 VanDerWaalsContact ND2-CE1 3.26Å; N601-Y625 WeakPolarHBondContact ND2-CE1 3.5Å; N601-C652 HydrophobicContact CB-CB 4.14Å
602G88.7Confident88.6Confident20 Ų2059.4 Ų59.421%0.20638%0.382CS..EExtended strand (participates in β ladder)trans-148.1-173.817200000112.9I599 A600 R620I599-G602 PolarHBondContact O-N 2.64Å; A600-G602 PolarHBondContact O-N 3.4Å; G602-R620 CarbonylContact C-O 3.52Å; G602-R620 WeakPolarHBondContact CA-O 3.44Å
603H90.8Very high88.5Confident88 Ų8859 Ų5941%0.40738%0.379SS..EExtended strand (participates in β ladder)trans-132.1155.7169.660.9-77.8000110.3R620H603-R620 VanDerWaalsContact CE1-CB 3.44Å; H603-R620 WeakPolarHBondContact CE1-CB 3.02Å; H603-R620 PolarHBondContact N-O 3.32Å; H603-R620 PolarHBondContact ND1-O 2.87Å; H603-R620 PolarHBondContact O-N 2.83Å
604R91.1Very high88.4Confident69 Ų6961.3 Ų61.326%0.2640%0.404SS..EExtended strand (participates in β ladder)trans-110156.5174.967.1178.4-179.8163.34.3111.7D595 G597 E598 V617 Q618 Y619D595-R604 IonicContact OD1-CZ 2.74Å; D595-R604 IonicContact OD1-NH1 2.71Å; D595-R604 PolarHBondContact OD1-NH1 2.96Å; D595-R604 IonicContact OD1-NH2 2.74Å; D595-R604 IonicContact OD2-CZ 2.71Å; D595-R604 IonicContact OD2-NH1 2.74Å; D595-R604 PolarHBondContact OD2-NH1 2.78Å; D595-R604 IonicContact OD2-NH2 3.91Å; D595-R604 PolarHBondContact OD2-NH2 2.92Å; G597-R604 VanDerWaalsContact C-NH1 3.31Å; G597-R604 WeakPolarHBondContact O-CD 3.27Å; G597-R604 PolarHBondContact O-NH1 3.47Å; E598-R604 HydrophobicContact CG-CG 4.12Å; E598-R604 IonicContact OE1-CZ 3.75Å; E598-R604 IonicContact OE1-NE 3.17Å; E598-R604 PolarHBondContact OE1-NE 3.22Å; E598-R604 VanDerWaalsContact OE1-NE 3.14Å; E598-R604 IonicContact OE1-NH2 3.16Å; R604-V617 HydrophobicContact CB-CG1 4.34Å; R604-Q618 CarbonylContact C-O 3.54Å; R604-Q618 WeakPolarHBondContact CA-O 3.44Å; R604-Y619 HydrophobicContact CB-CD1 3.85Å; R604-Y619 HydrophobicContact CB-CE1 3.65Å
605T91.8Very high88.6Confident76 Ų7657.3 Ų57.347%0.46637%0.371SS..EExtended strand (participates in β ladder)trans-145.8109172-53.30000108.3Q618T605-Q618 PolarHBondContact N-O 3.09Å; T605-Q618 PolarHBondContact O-N 2.82Å
606A90.2Very high88.7Confident43 Ų4357.3 Ų57.336%0.35537%0.368SS..EExtended strand (participates in β ladder)trans-90150.5177.300000111F611 V617A606-F611 HydrophobicContact CB-CE1 3.82Å; A606-V617 HydrophobicContact CB-CG2 4.05Å
607S90.4Very high89Confident49 Ų4956.5 Ų56.534%0.34336%0.362SS..SBendtrans-69.6-39.817058.50000112.4S615 H616S607-S615 WeakPolarHBondContact OG-CA 3.22Å; S607-H616 PolarHBondContact N-O 2.96Å; S607-H616 PolarHBondContact OG-N 3.13Å; S607-H616 PolarHBondContact OG-O 3.46Å
608D88.9Confident89.2Confident75 Ų7558.3 Ų58.340%0.40136%0.364SS..  trans-138.5144.1-171.1-49.5-86.8000110.8G610 S615D608-G610 VanDerWaalsContact C-N 3.29Å; D608-G610 PolarHBondContact O-N 2.96Å; D608-S615 WeakPolarHBondContact CB-OG 3.5Å; D608-S615 VanDerWaalsContact CG-OG 3.25Å; D608-S615 WeakPolarHBondContact OD2-CB 3.4Å; D608-S615 PolarHBondContact OD2-OG 3.33Å
609A79.1Confident89.5Confident111 Ų11151.3 Ų51.392%0.91733%0.331SS*.THydrogen-bonded Turntrans-76.4-8.4-173.900000115.3
610G80Confident89.5Confident44 Ų4456.8 Ų56.845%0.45435%0.351SS..THydrogen-bonded Turntrans-122.97.7-177.400000115T592 D608T592-G610 VanDerWaalsContact CG2-O 3.24Å; T592-G610 WeakPolarHBondContact CG2-O 3.39Å; D608-G610 VanDerWaalsContact C-N 3.29Å; D608-G610 PolarHBondContact O-N 2.96Å
611F90.6Very high89.6Confident21 Ų2154.4 Ų54.49%0.09233%0.329CS..  trans45.146.3178.3-44.9-67.6000117.2T592 C593 D595 A606 V617 W645T592-F611 CarbonylContact C-O 3.58Å; T592-F611 WeakPolarHBondContact CA-O 3.48Å; C593-F611 HydrophobicContact CB-CB 4.49Å; C593-F611 PolarHBondContact N-O 2.87Å; C593-F611 WeakPolarHBondContact O-CB 3.45Å; D595-F611 HydrophobicContact CB-CD2 4.36Å; D595-F611 HydrophobicContact CB-CE2 3.69Å; D595-F611 HydrophobicContact CB-CZ 4.42Å; A606-F611 HydrophobicContact CB-CE1 3.82Å; F611-V617 HydrophobicContact CD1-CG2 3.98Å; F611-V617 HydrophobicContact CE1-CG2 3.74Å; F611-W645 HydrophobicContact CB-CH2 3.99Å; F611-W645 HydrophobicContact CB-CZ2 3.78Å; F611-W645 AromaticContact CD1-CH2 3.73Å; F611-W645 HydrophobicContact CD1-CH2 3.73Å; F611-W645 AromaticContact CD1-CZ2 3.79Å; F611-W645 HydrophobicContact CD1-CZ2 3.79Å; F611-W645 HydrophobicContact CG-CH2 4.12Å; F611-W645 AromaticContact CG-CZ2 3.84Å; F611-W645 HydrophobicContact CG-CZ2 3.84Å
612P90Very high89.6Confident52 Ų5255.1 Ų55.134%0.33833%0.333SS..BIsolated β-bridgetrans-58.3162.5170.226.1-35000112.9M591 G614 S615M591-P612 WeakPolarHBondContact O-CA 3.45Å; P612-G614 PolarHBondContact O-N 3.17Å; P612-S615 WeakPolarHBondContact CD-OG 3.46Å; P612-S615 VanDerWaalsContact CG-OG 3.32Å; P612-S615 WeakPolarHBondContact CG-OG 3.38Å; P612-S615 WeakPolarHBondContact O-CB 3.35Å; P612-S615 PolarHBondContact O-N 2.84Å; P612-S615 PolarHBondContact O-OG 2.92Å
613V88.8Confident89.4Confident55 Ų5560.2 Ų60.233%0.33336%0.362SS..THydrogen-bonded Turntrans-51.3127.9170.5169.80000110.3M591 P643M591-V613 HydrophobicContact CE-CG2 4.44Å; M591-V613 PolarHBondContact O-N 2.93Å; V613-P643 HydrophobicContact CG2-CB 3.97Å; V613-P643 HydrophobicContact CG2-CG 3.98Å
614G86.9Confident88.7Confident54 Ų5458.1 Ų58.156%0.55737%0.365SS*.THydrogen-bonded Turntrans97.6-19-173.800000114.7P612 C635P612-G614 PolarHBondContact O-N 3.17Å; G614-C635 PolarHBondContact N-O 2.81Å
615S91.4Very high88.3Confident2 Ų258.2 Ų58.21%0.01437%0.365CS..  trans-65.1154.1173.6-66.30000112.4S607 D608 P612 C635S607-S615 WeakPolarHBondContact OG-CA 3.22Å; D608-S615 WeakPolarHBondContact CB-OG 3.5Å; D608-S615 VanDerWaalsContact CG-OG 3.25Å; D608-S615 WeakPolarHBondContact OD2-CB 3.4Å; D608-S615 PolarHBondContact OD2-OG 3.33Å; P612-S615 WeakPolarHBondContact CD-OG 3.46Å; P612-S615 VanDerWaalsContact CG-OG 3.32Å; P612-S615 WeakPolarHBondContact CG-OG 3.38Å; P612-S615 WeakPolarHBondContact O-CB 3.35Å; P612-S615 PolarHBondContact O-N 2.84Å; P612-S615 PolarHBondContact O-OG 2.92Å; S615-C635 PolarHBondContact O-N 2.9Å
616H93.1Very high88Confident85 Ų8557 Ų5739%0.39436%0.36SS..EExtended strand (participates in β ladder)trans-141.7143.1-173.263.9-96.5000112.7S607 M632 L633 T634S607-H616 PolarHBondContact N-O 2.96Å; S607-H616 PolarHBondContact OG-N 3.13Å; S607-H616 PolarHBondContact OG-O 3.46Å; H616-M632 HydrophobicContact CB-SD 3.66Å; H616-L633 CarbonylContact C-O 3.48Å; H616-L633 WeakPolarHBondContact CA-O 3.26Å; H616-T634 HydrophobicContact CB-CG2 3.84Å
617V92.7Very high87.9Confident0 Ų057.5 Ų57.50%036%0.356CS..EExtended strand (participates in β ladder)trans-124.9113.6-174.3-174.60000110P596 R604 A606 F611 Y619 M632 L633 W645P596-V617 HydrophobicContact CG-CG2 4.21Å; R604-V617 HydrophobicContact CB-CG1 4.34Å; A606-V617 HydrophobicContact CB-CG2 4.05Å; F611-V617 HydrophobicContact CD1-CG2 3.98Å; F611-V617 HydrophobicContact CE1-CG2 3.74Å; V617-Y619 HydrophobicContact CB-CE2 4.26Å; V617-Y619 HydrophobicContact CG1-CD2 4.31Å; V617-Y619 HydrophobicContact CG1-CE2 3.68Å; V617-M632 WeakPolarHBondContact O-CA 3.45Å; V617-M632 VanDerWaalsContact O-SD 3.38Å; V617-L633 PolarHBondContact N-O 3.12Å; V617-L633 PolarHBondContact O-N 2.76Å; V617-W645 HydrophobicContact CG2-CH2 3.68Å; V617-W645 HydrophobicContact CG2-CZ2 4.36Å; V617-W645 HydrophobicContact CG2-CZ3 4.01Å
618Q93.2Very high87.8Confident64 Ų6460.3 Ų60.330%0.29936%0.364SS..EExtended strand (participates in β ladder)trans-86.4139.6174-162.2164.274.200111.1R604 T605 R620 A631 M632R604-Q618 CarbonylContact C-O 3.54Å; R604-Q618 WeakPolarHBondContact CA-O 3.44Å; T605-Q618 PolarHBondContact N-O 3.09Å; T605-Q618 PolarHBondContact O-N 2.82Å; Q618-R620 HydrophobicContact CG-CG 4.44Å; Q618-R620 VanDerWaalsContact OE1-CZ 3.23Å; Q618-A631 WeakPolarHBondContact CA-O 3.22Å; Q618-A631 WeakPolarHBondContact CG-O 3.44Å; Q618-M632 HydrophobicContact CB-CE 3.56Å; Q618-M632 HydrophobicContact CG-CE 3.96Å
619Y93.3Very high87.8Confident3 Ų359.9 Ų59.91%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-117.7139.9173.8-71.8-80.9000110.6P596 G597 I599 R604 V617 L627 A631 L633 P650P596-Y619 WeakPolarHBondContact CG-OH 3.34Å; G597-Y619 PolarHBondContact O-OH 3.29Å; I599-Y619 HydrophobicContact CB-CD1 4.45Å; I599-Y619 HydrophobicContact CD1-CD1 3.63Å; I599-Y619 HydrophobicContact CD1-CG 4.13Å; I599-Y619 HydrophobicContact CG1-CD1 3.83Å; I599-Y619 HydrophobicContact CG1-CE1 4.38Å; I599-Y619 HydrophobicContact CG2-CD1 3.82Å; I599-Y619 HydrophobicContact CG2-CE1 3.74Å; R604-Y619 HydrophobicContact CB-CD1 3.85Å; R604-Y619 HydrophobicContact CB-CE1 3.65Å; V617-Y619 HydrophobicContact CB-CE2 4.26Å; V617-Y619 HydrophobicContact CG1-CD2 4.31Å; V617-Y619 HydrophobicContact CG1-CE2 3.68Å; Y619-L627 WeakPolarHBondContact O-CD1 3.29Å; Y619-A631 PolarHBondContact N-O 3.11Å; Y619-L633 HydrophobicContact CD2-CG 4.49Å; Y619-L633 HydrophobicContact CE2-CD1 3.84Å; Y619-L633 HydrophobicContact CE2-CG 4.07Å; Y619-P650 HydrophobicContact CD1-CG 4.4Å; Y619-P650 HydrophobicContact CD2-CG 3.71Å; Y619-P650 HydrophobicContact CE2-CG 4.43Å; Y619-P650 HydrophobicContact CG-CG 3.68Å
620R91.6Very high88.3Confident134 Ų13455.9 Ų55.951%0.50634%0.344SS..EExtended strand (participates in β ladder)trans-142.8125.2-178.7-63.4-178.4-174-176.24.4110.5G602 H603 Q618G602-R620 CarbonylContact C-O 3.52Å; G602-R620 WeakPolarHBondContact CA-O 3.44Å; H603-R620 VanDerWaalsContact CE1-CB 3.44Å; H603-R620 WeakPolarHBondContact CE1-CB 3.02Å; H603-R620 PolarHBondContact N-O 3.32Å; H603-R620 PolarHBondContact ND1-O 2.87Å; H603-R620 PolarHBondContact O-N 2.83Å; Q618-R620 HydrophobicContact CG-CG 4.44Å; Q618-R620 VanDerWaalsContact OE1-CZ 3.23Å
621C90.7Very high88.7Confident29 Ų2956.2 Ų56.220%0.19634%0.342CS..EExtended strand (participates in β ladder)trans-74.8158.2178.9-59.80000113.1L627 C652C621-L627 VanDerWaalsContact SG-CA 3.52Å; C621-L627 VanDerWaalsContact SG-CB 3.57Å; C621-C652 WeakPolarHBondContact CA-SG 3.46Å; C621-C652 HydrophobicContact CB-CB 3.83Å; C621-C652 WeakPolarHBondContact CB-SG 3.33Å; C621-C652 VanDerWaalsContact SG-CA 3.51Å; C621-C652 WeakPolarHBondContact SG-CB 3.39Å; C621-C652 CovalentContact SG-SG 2.03Å; C621-C652 PolarHBondContact SG-SG 3.1Å
622L88.9Confident88.8Confident83 Ų8358.3 Ų58.344%0.43535%0.353SS..PPolyproline II helixtrans-72.2158.5171.3-65.1177.8000111.2N601 G624 Y625N601-L622 WeakPolarHBondContact O-CB 3.48Å; N601-L622 WeakPolarHBondContact O-CG 3.34Å; N601-L622 PolarHBondContact O-N 2.65Å; L622-G624 PolarHBondContact O-N 3.49Å; L622-Y625 HydrophobicContact CB-CD2 4.34Å; L622-Y625 WeakPolarHBondContact O-CB 3.38Å; L622-Y625 PolarHBondContact O-N 3.31Å
623P84.6Confident89Confident128 Ų12855.9 Ų55.983%0.83134%0.337SS*.THydrogen-bonded Turntrans-53.2136.4175.7-26.535.6000112.5
624G74.8Confident89.1Confident44 Ų4455 Ų5545%0.45433%0.332SS..THydrogen-bonded Turntrans90.8-10.6-173.400000114.7L622 K655L622-G624 PolarHBondContact O-N 3.49Å; G624-K655 PolarHBondContact O-N 3.44Å
625Y84.1Confident89.4Confident71 Ų7152.4 Ų52.428%0.27831%0.306SS..EExtended strand (participates in β ladder)trans-113.7147.4177.9-63.3-100.4000112N601 L622 C652 A653 L654N601-Y625 HydrophobicContact CB-CD1 3.67Å; N601-Y625 HydrophobicContact CB-CD2 4.05Å; N601-Y625 HydrophobicContact CB-CE1 3.55Å; N601-Y625 HydrophobicContact CB-CE2 3.95Å; N601-Y625 HydrophobicContact CB-CG 3.93Å; N601-Y625 VanDerWaalsContact CG-CE1 3.46Å; N601-Y625 VanDerWaalsContact CG-CZ 3.44Å; N601-Y625 VanDerWaalsContact ND2-CE1 3.26Å; N601-Y625 WeakPolarHBondContact ND2-CE1 3.5Å; L622-Y625 HydrophobicContact CB-CD2 4.34Å; L622-Y625 WeakPolarHBondContact O-CB 3.38Å; L622-Y625 PolarHBondContact O-N 3.31Å; Y625-C652 HydrophobicContact CD1-CB 4.37Å; Y625-A653 CarbonylContact C-O 3.51Å; Y625-A653 WeakPolarHBondContact CA-O 3.32Å; Y625-L654 HydrophobicContact CD1-CD2 4Å; Y625-L654 HydrophobicContact CD1-CG 4.07Å; Y625-L654 HydrophobicContact CD2-CD2 4.42Å; Y625-L654 HydrophobicContact CE1-CD2 3.49Å; Y625-L654 VanDerWaalsContact CE1-CD2 3.49Å; Y625-L654 HydrophobicContact CE1-CG 3.55Å; Y625-L654 HydrophobicContact CE2-CD2 3.96Å; Y625-L654 HydrophobicContact CG-CD2 4.43Å; Y625-L654 VanDerWaalsContact CZ-CD2 3.46Å
626S84.6Confident89.4Confident51 Ų5159 Ų5936%0.35733%0.331SS..EExtended strand (participates in β ladder)trans-113.9145.7172.2410000111.3C652 A653S626-C652 WeakPolarHBondContact O-CA 3.39Å; S626-A653 PolarHBondContact N-O 2.96Å; S626-A653 PolarHBondContact O-N 3.43Å
627L88.5Confident89Confident52 Ų5257.7 Ų57.727%0.27233%0.332SS..EExtended strand (participates in β ladder)trans-85.1127.2-177.4-167.7145.9000111.1Y619 C621 G629 A631 P650 K651Y619-L627 WeakPolarHBondContact O-CD1 3.29Å; C621-L627 VanDerWaalsContact SG-CA 3.52Å; C621-L627 VanDerWaalsContact SG-CB 3.57Å; L627-G629 VanDerWaalsContact CD2-O 3.27Å; L627-G629 WeakPolarHBondContact CD2-O 3.45Å; L627-A631 HydrophobicContact CD1-CB 4.31Å; L627-A631 HydrophobicContact CD2-CB 4.09Å; L627-P650 HydrophobicContact CD1-CB 4.31Å; L627-P650 HydrophobicContact CD1-CG 4.3Å; L627-P650 HydrophobicContact CD2-CB 3.72Å; L627-P650 HydrophobicContact CD2-CG 4.42Å; L627-P650 HydrophobicContact CG-CB 4Å; L627-K651 CarbonylContact C-O 3.55Å; L627-K651 WeakPolarHBondContact CA-O 3.45Å
628E89Confident88.5Confident109 Ų10963.4 Ų63.451%0.50935%0.353SS..EExtended strand (participates in β ladder)trans-108.5118.1175.5-63.8179.4160.400108.9P650 K651 A653E628-P650 CarbonylContact O-C 3.45Å; E628-P650 VanDerWaalsContact O-CA 3.3Å; E628-P650 WeakPolarHBondContact O-CA 3.5Å; E628-P650 VanDerWaalsContact O-CB 3.3Å; E628-P650 WeakPolarHBondContact O-CB 3.47Å; E628-K651 PolarHBondContact N-O 3.14Å; E628-K651 PolarHBondContact O-N 2.84Å; E628-A653 VanDerWaalsContact CD-CB 3.43Å; E628-A653 HydrophobicContact CG-CB 4.13Å; E628-A653 WeakPolarHBondContact OE1-CB 3.32Å
629G87.3Confident87.3Confident65 Ų6567.3 Ų67.367%0.6738%0.376SS*.SBendtrans107.6-163.1-175.300000113.5L627 A631L627-G629 VanDerWaalsContact CD2-O 3.27Å; L627-G629 WeakPolarHBondContact CD2-O 3.45Å; G629-A631 PolarHBondContact O-N 3.21Å
630A90.6Very high86Confident27 Ų2772.6 Ų72.622%0.22341%0.409CS..  trans-75.3121.6-17900000111.4M632 L633 D647 P650A630-M632 PolarHBondContact O-N 2.59Å; A630-L633 HydrophobicContact CB-CD2 4.06Å; A630-D647 HydrophobicContact CB-CB 3.89Å; A630-P650 WeakPolarHBondContact O-CG 3.27Å
631A88.7Confident85.3Confident51 Ų5166.5 Ų66.542%0.42139%0.387SS..SBendtrans-71.8-6175.700000113.8Q618 Y619 L627 G629Q618-A631 WeakPolarHBondContact CA-O 3.22Å; Q618-A631 WeakPolarHBondContact CG-O 3.44Å; Y619-A631 PolarHBondContact N-O 3.11Å; L627-A631 HydrophobicContact CD1-CB 4.31Å; L627-A631 HydrophobicContact CD2-CB 4.09Å; G629-A631 PolarHBondContact O-N 3.21Å
632M92.6Very high85Confident65 Ų6568.3 Ų68.332%0.3240%0.398SS..EExtended strand (participates in β ladder)trans-145.2128.4-178.3176.356.57200109.1H616 V617 Q618 A630H616-M632 HydrophobicContact CB-SD 3.66Å; V617-M632 WeakPolarHBondContact O-CA 3.45Å; V617-M632 VanDerWaalsContact O-SD 3.38Å; Q618-M632 HydrophobicContact CB-CE 3.56Å; Q618-M632 HydrophobicContact CG-CE 3.96Å; A630-M632 PolarHBondContact O-N 2.59Å
633L92.9Very high85Confident1 Ų165 Ų651%0.00538%0.381CS..EExtended strand (participates in β ladder)trans-110.7135.3170.7-55.6-176.3000109.9P596 H616 V617 Y619 A630 W645 D647P596-L633 HydrophobicContact CB-CD1 4.07Å; H616-L633 CarbonylContact C-O 3.48Å; H616-L633 WeakPolarHBondContact CA-O 3.26Å; V617-L633 PolarHBondContact N-O 3.12Å; V617-L633 PolarHBondContact O-N 2.76Å; Y619-L633 HydrophobicContact CD2-CG 4.49Å; Y619-L633 HydrophobicContact CE2-CD1 3.84Å; Y619-L633 HydrophobicContact CE2-CG 4.07Å; A630-L633 HydrophobicContact CB-CD2 4.06Å; L633-W645 HydrophobicContact CB-CD2 4.34Å; L633-W645 HydrophobicContact CB-CE3 3.73Å; L633-W645 HydrophobicContact CB-CZ3 4.37Å; L633-D647 HydrophobicContact CD2-CB 3.56Å
634T92.6Very high85.2Confident37 Ų3765.4 Ų65.423%0.22737%0.37CS..EExtended strand (participates in β ladder)trans-114.3137.5175.437.20000111.2H616 Y636 W645 S646H616-T634 HydrophobicContact CB-CG2 3.84Å; T634-Y636 WeakPolarHBondContact OG1-CE2 3.4Å; T634-Y636 PolarHBondContact OG1-OH 2.03Å; T634-W645 VanDerWaalsContact C-CE3 3.41Å; T634-W645 CarbonylContact O-C 3.59Å; T634-W645 WeakPolarHBondContact O-CA 3.3Å; T634-S646 PolarHBondContact N-OG 2.81Å; T634-S646 PolarHBondContact O-N 3.2Å
635C93.3Very high86.1Confident0 Ų064.6 Ų64.60%035%0.353CS..EExtended strand (participates in β ladder)trans-85.5116.6177.3179.70000110.4C593 G614 S615 W645C593-C635 HydrophobicContact CB-CB 3.88Å; C593-C635 WeakPolarHBondContact CB-SG 3.16Å; C593-C635 VanDerWaalsContact SG-CA 3.51Å; C593-C635 WeakPolarHBondContact SG-CB 3.32Å; C593-C635 CovalentContact SG-SG 2.04Å; C593-C635 PolarHBondContact SG-SG 3.13Å; G614-C635 PolarHBondContact N-O 2.81Å; S615-C635 PolarHBondContact O-N 2.9Å; C635-W645 HydrophobicContact CB-CE3 4.04Å; C635-W645 HydrophobicContact CB-CH2 3.92Å; C635-W645 HydrophobicContact CB-CZ2 4.46Å; C635-W645 HydrophobicContact CB-CZ3 3.7Å
636Y89.6Confident86.4Confident140 Ų14063.1 Ų63.155%0.54935%0.353SS..EExtended strand (participates in β ladder)trans-107.8141.2177.6-68.8-70000111.9T634 P643 K644T634-Y636 WeakPolarHBondContact OG1-CE2 3.4Å; T634-Y636 PolarHBondContact OG1-OH 2.03Å; Y636-P643 CarbonylContact O-C 3.56Å; Y636-P643 VanDerWaalsContact O-CA 3.28Å; Y636-P643 WeakPolarHBondContact O-CA 3.3Å; Y636-P643 WeakPolarHBondContact O-CB 3.16Å; Y636-K644 PolarHBondContact N-O 2.95Å; Y636-K644 PolarHBondContact O-N 2.91Å
637S85.8Confident86.7Confident57 Ų5765.2 Ų65.240%0.39936%0.361SS..  trans-64.1155.3166-175.40000110.6
638R81.4Confident86.7Confident120 Ų12071.3 Ų71.345%0.45338%0.38SS..  trans-129.8140.6164.2-160.7172.685-148.512.8108.7T640R638-T640 VanDerWaalsContact C-N 3.31Å; R638-T640 VanDerWaalsContact CZ-O 3.25Å; R638-T640 PolarHBondContact NE-O 2.84Å; R638-T640 PolarHBondContact NH2-O 3.24Å; R638-T640 PolarHBondContact O-N 2.98Å
639D69.5Low86.8Confident146 Ų14669.1 Ų69.178%0.78137%0.374SS*.THydrogen-bonded Turntrans-68.7-35.5-177.9-51.4-60.2000111.5
640T65.6Low87Confident115 Ų11566.2 Ų66.271%0.70634%0.343SS*.THydrogen-bonded Turntrans-119.664.6-177.350.70000112.1R638R638-T640 VanDerWaalsContact C-N 3.31Å; R638-T640 VanDerWaalsContact CZ-O 3.25Å; R638-T640 PolarHBondContact NE-O 2.84Å; R638-T640 PolarHBondContact NH2-O 3.24Å; R638-T640 PolarHBondContact O-N 2.98Å
641G76.8Confident87.1Confident5 Ų572.1 Ų72.15%0.05236%0.364CS..SBendtrans148-170.1171.800000114.6P562P562-G641 WeakPolarHBondContact O-CA 3.36Å
642T84.3Confident87.1Confident68 Ų6870.4 Ų70.442%0.41735%0.349SS..  trans-65.8146.1176.943.20000112.6I590I590-T642 HydrophobicContact CD1-CG2 3.75Å
643P88.2Confident86.7Confident12 Ų1268.6 Ų68.68%0.07834%0.344CS..  trans-55.5150.1168.3-25.135.3000112.3I590 V613 Y636I590-P643 VanDerWaalsContact O-CD 3.24Å; I590-P643 WeakPolarHBondContact O-CD 3.35Å; I590-P643 WeakPolarHBondContact O-CG 3.44Å; V613-P643 HydrophobicContact CG2-CB 3.97Å; V613-P643 HydrophobicContact CG2-CG 3.98Å; Y636-P643 CarbonylContact O-C 3.56Å; Y636-P643 VanDerWaalsContact O-CA 3.28Å; Y636-P643 WeakPolarHBondContact O-CA 3.3Å; Y636-P643 WeakPolarHBondContact O-CB 3.16Å
644K90.3Very high86Confident138 Ų13871.9 Ų71.960%0.636%0.361SS*.EExtended strand (participates in β ladder)trans-142.1143.4-174-163.8-154.4166.7-148.70111.8C593 Y636C593-K644 VanDerWaalsContact SG-C 3.52Å; C593-K644 PolarHBondContact SG-N 3.47Å; Y636-K644 PolarHBondContact N-O 2.95Å; Y636-K644 PolarHBondContact O-N 2.91Å
645W91.9Very high84.9Confident26 Ų2676.9 Ų76.910%0.09838%0.38CS..EExtended strand (participates in β ladder)trans-60.7144.9165.7-62.4108.8000112.4C593 A594 P596 F611 V617 L633 T634 C635 D647C593-W645 HydrophobicContact CB-CD2 4.18Å; C593-W645 HydrophobicContact CB-CH2 4.39Å; C593-W645 HydrophobicContact CB-CZ2 3.63Å; A594-W645 PolarHBondContact O-NE1 2.78Å; P596-W645 HydrophobicContact CG-CD2 4.45Å; P596-W645 HydrophobicContact CG-CZ2 3.86Å; F611-W645 HydrophobicContact CB-CH2 3.99Å; F611-W645 HydrophobicContact CB-CZ2 3.78Å; F611-W645 AromaticContact CD1-CH2 3.73Å; F611-W645 HydrophobicContact CD1-CH2 3.73Å; F611-W645 AromaticContact CD1-CZ2 3.79Å; F611-W645 HydrophobicContact CD1-CZ2 3.79Å; F611-W645 HydrophobicContact CG-CH2 4.12Å; F611-W645 AromaticContact CG-CZ2 3.84Å; F611-W645 HydrophobicContact CG-CZ2 3.84Å; V617-W645 HydrophobicContact CG2-CH2 3.68Å; V617-W645 HydrophobicContact CG2-CZ2 4.36Å; V617-W645 HydrophobicContact CG2-CZ3 4.01Å; L633-W645 HydrophobicContact CB-CD2 4.34Å; L633-W645 HydrophobicContact CB-CE3 3.73Å; L633-W645 HydrophobicContact CB-CZ3 4.37Å; T634-W645 VanDerWaalsContact C-CE3 3.41Å; T634-W645 CarbonylContact O-C 3.59Å; T634-W645 WeakPolarHBondContact O-CA 3.3Å; C635-W645 HydrophobicContact CB-CE3 4.04Å; C635-W645 HydrophobicContact CB-CH2 3.92Å; C635-W645 HydrophobicContact CB-CZ2 4.46Å; C635-W645 HydrophobicContact CB-CZ3 3.7Å; W645-D647 VanDerWaalsContact C-N 3.31Å; W645-D647 PolarHBondContact O-N 2.96Å
646S91Very high83.9Confident40 Ų4080.8 Ų80.828%0.2840%0.395SS..SBendtrans-49.8-48.8174.559.50000112.8T634T634-S646 PolarHBondContact N-OG 2.81Å; T634-S646 PolarHBondContact O-N 3.2Å
647D90Very high83.3Confident96 Ų9679.7 Ų79.751%0.51340%0.395SS..SBendtrans-135.5174.6-168.7-90.8-66.3000112.6A630 L633 W645A630-D647 HydrophobicContact CB-CB 3.89Å; L633-D647 HydrophobicContact CD2-CB 3.56Å; W645-D647 VanDerWaalsContact C-N 3.31Å; W645-D647 PolarHBondContact O-N 2.96Å
648R89.9Confident83Confident180 Ų18079.2 Ų79.268%0.67939%0.391SS*.PPolyproline II helixtrans-77.1153.3169.4-62.9-175.8-177.9-1782.6110.6E778R648-E778 IonicContact NH1-OE1 2.63Å; R648-E778 PolarHBondContact NH1-OE1 3.2Å
649V91.1Very high83.2Confident62 Ų6273.8 Ų73.838%0.37637%0.371SS..PPolyproline II helixtrans-57.2128.6176.3-167.50000110.6P596 I599P596-V649 HydrophobicContact CB-CG2 4.27Å; P596-V649 WeakPolarHBondContact O-CG2 3.29Å; I599-V649 HydrophobicContact CG2-CG1 3.58Å
650P91.9Very high83.9Confident5 Ų572.5 Ų72.53%0.03236%0.363CS..PPolyproline II helixtrans-73.3169.7-178.231.5-37.4000112.7I599 Y619 L627 E628 A630I599-P650 VanDerWaalsContact CG2-O 3.26Å; I599-P650 WeakPolarHBondContact CG2-O 3.35Å; Y619-P650 HydrophobicContact CD1-CG 4.4Å; Y619-P650 HydrophobicContact CD2-CG 3.71Å; Y619-P650 HydrophobicContact CE2-CG 4.43Å; Y619-P650 HydrophobicContact CG-CG 3.68Å; L627-P650 HydrophobicContact CD1-CB 4.31Å; L627-P650 HydrophobicContact CD1-CG 4.3Å; L627-P650 HydrophobicContact CD2-CB 3.72Å; L627-P650 HydrophobicContact CD2-CG 4.42Å; L627-P650 HydrophobicContact CG-CB 4Å; E628-P650 CarbonylContact O-C 3.45Å; E628-P650 VanDerWaalsContact O-CA 3.3Å; E628-P650 WeakPolarHBondContact O-CA 3.5Å; E628-P650 VanDerWaalsContact O-CB 3.3Å; E628-P650 WeakPolarHBondContact O-CB 3.47Å; A630-P650 WeakPolarHBondContact O-CG 3.27Å
651K90.9Very high84.9Confident150 Ų15068.7 Ų68.765%0.65234%0.338SS*.EExtended strand (participates in β ladder)trans-122.5155.4176.7-64176.4-176172.60111.1L627 E628L627-K651 CarbonylContact C-O 3.55Å; L627-K651 WeakPolarHBondContact CA-O 3.45Å; E628-K651 PolarHBondContact N-O 3.14Å; E628-K651 PolarHBondContact O-N 2.84Å
652C90.3Very high85.3Confident16 Ų1670.4 Ų70.411%0.10835%0.349CS..EExtended strand (participates in β ladder)trans-110.4105.3173.2-69.30000110.1I599 A600 N601 C621 Y625 S626I599-C652 VanDerWaalsContact CD1-SG 3.57Å; A600-C652 WeakPolarHBondContact O-CB 3.41Å; N601-C652 HydrophobicContact CB-CB 4.14Å; C621-C652 WeakPolarHBondContact CA-SG 3.46Å; C621-C652 HydrophobicContact CB-CB 3.83Å; C621-C652 WeakPolarHBondContact CB-SG 3.33Å; C621-C652 VanDerWaalsContact SG-CA 3.51Å; C621-C652 WeakPolarHBondContact SG-CB 3.39Å; C621-C652 CovalentContact SG-SG 2.03Å; C621-C652 PolarHBondContact SG-SG 3.1Å; Y625-C652 HydrophobicContact CD1-CB 4.37Å; S626-C652 WeakPolarHBondContact O-CA 3.39Å
653A84.4Confident85.2Confident26 Ų2668.7 Ų68.722%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-93.8149.417800000111.6Y625 S626 E628Y625-A653 CarbonylContact C-O 3.51Å; Y625-A653 WeakPolarHBondContact CA-O 3.32Å; S626-A653 PolarHBondContact N-O 2.96Å; S626-A653 PolarHBondContact O-N 3.43Å; E628-A653 VanDerWaalsContact CD-CB 3.43Å; E628-A653 HydrophobicContact CG-CB 4.13Å; E628-A653 WeakPolarHBondContact OE1-CB 3.32Å
654L78.3Confident85Confident70 Ų7072.1 Ų72.137%0.36637%0.365SS..EExtended strand (participates in β ladder)trans-66.6130.9176.3-83.3168.4000111Y625 Y656Y625-L654 HydrophobicContact CD1-CD2 4Å; Y625-L654 HydrophobicContact CD1-CG 4.07Å; Y625-L654 HydrophobicContact CD2-CD2 4.42Å; Y625-L654 HydrophobicContact CE1-CD2 3.49Å; Y625-L654 VanDerWaalsContact CE1-CD2 3.49Å; Y625-L654 HydrophobicContact CE1-CG 3.55Å; Y625-L654 HydrophobicContact CE2-CD2 3.96Å; Y625-L654 HydrophobicContact CG-CD2 4.43Å; Y625-L654 VanDerWaalsContact CZ-CD2 3.46Å; L654-Y656 HydrophobicContact CB-CE1 4.4Å; L654-Y656 HydrophobicContact CB-CE2 4.26Å
655K69.1Low84.7Confident142 Ų14266.2 Ų66.262%0.61734%0.341SS*.  trans-98.1103.3174.8-172.2174.7-179.6178.30110.4G624G624-K655 PolarHBondContact O-N 3.44Å
656Y72.6Confident84.1Confident82 Ų8272.8 Ų72.832%0.32237%0.373SS..PPolyproline II helixtrans-73.8147.3174.6-57.5-70.8000111.9L654 A679 P703L654-Y656 HydrophobicContact CB-CE1 4.4Å; L654-Y656 HydrophobicContact CB-CE2 4.26Å; Y656-A679 HydrophobicContact CD2-CB 4.05Å; Y656-A679 HydrophobicContact CG-CB 4.06Å; Y656-P703 HydrophobicContact CD1-CB 3.73Å; Y656-P703 HydrophobicContact CD2-CB 4.04Å; Y656-P703 HydrophobicContact CE1-CB 3.53Å; Y656-P703 HydrophobicContact CE2-CB 3.86Å; Y656-P703 HydrophobicContact CG-CB 3.99Å
657E76.3Confident83.6Confident118 Ų11874.5 Ų74.555%0.55138%0.379SS*.PPolyproline II helixtrans-80.7137.5167.4-65.5-175.4150.700109.3S707E657-S707 WeakPolarHBondContact O-CB 3.39Å; E657-S707 PolarHBondContact O-OG 2.63Å
658P80.3Confident83.3Confident47 Ų4770.3 Ų70.331%0.30536%0.358SS..PPolyproline II helixtrans-77.4144.5-174.431.7-36000112.3L660 H676 Y677P658-L660 PolarHBondContact O-N 3.36Å; P658-H676 HydrophobicContact CB-CB 4.04Å; P658-H676 HydrophobicContact CG-CB 4.01Å; P658-Y677 CarbonylContact C-O 3.59Å; P658-Y677 WeakPolarHBondContact CA-O 3.03Å; P658-Y677 WeakPolarHBondContact CB-O 3.45Å
659C83.8Confident83.2Confident5 Ų566.6 Ų66.63%0.03435%0.345CS..EExtended strand (participates in β ladder)trans-65.7131.4174.9-59.10000111H676 Y677 C701 S707 W709C659-H676 CarbonylContact O-C 3.59Å; C659-H676 WeakPolarHBondContact O-CA 3.43Å; C659-Y677 PolarHBondContact N-O 2.94Å; C659-Y677 PolarHBondContact O-N 3.43Å; C659-C701 HydrophobicContact CB-CB 3.81Å; C659-C701 WeakPolarHBondContact CB-SG 3.46Å; C659-C701 VanDerWaalsContact SG-CA 3.52Å; C659-C701 WeakPolarHBondContact SG-CB 3.03Å; C659-C701 CovalentContact SG-SG 2.03Å; C659-C701 PolarHBondContact SG-SG 3.26Å; C659-S707 VanDerWaalsContact SG-C 3.54Å; C659-S707 VanDerWaalsContact SG-CB 3.57Å; C659-W709 HydrophobicContact CB-CD2 4.31Å; C659-W709 HydrophobicContact CB-CZ2 3.77Å
660L85.7Confident83.1Confident119 Ų11965 Ų6562%0.62333%0.333SS*.EExtended strand (participates in β ladder)trans-64.3151.3168-75.8164.6000110.9P658 H676 W709P658-L660 PolarHBondContact O-N 3.36Å; L660-H676 WeakPolarHBondContact CD2-NE2 3.2Å; L660-W709 PolarHBondContact O-NE1 3Å
661N85.6Confident82.8Confident35 Ų3568.4 Ų68.419%0.18735%0.354CS..PPolyproline II helixtrans-58.5124173.6-166.5-62000110.7G663 K674 H675 Y677N661-G663 VanDerWaalsContact C-N 3.26Å; N661-G663 PolarHBondContact O-N 3.15Å; N661-G663 PolarHBondContact OD1-N 2.82Å; N661-K674 WeakPolarHBondContact CB-O 3.1Å; N661-K674 PolarHBondContact ND2-O 2.96Å; N661-H675 PolarHBondContact N-O 3.4Å; N661-Y677 HydrophobicContact CB-CE2 4.29Å
662P84.8Confident82.4Confident42 Ų4265.9 Ų65.927%0.27335%0.347SS..  trans-82.5-0.5-174.732.3-31.8000113.8L683 F685 I699 W709 P713P662-L683 HydrophobicContact CG-CD2 4.11Å; P662-F685 HydrophobicContact CG-CZ 4.42Å; P662-I699 HydrophobicContact CG-CD1 3.71Å; P662-W709 HydrophobicContact CG-CD2 4.28Å; P662-W709 HydrophobicContact CG-CG 4.4Å; P662-W709 HydrophobicContact CG-CZ2 4.28Å; P662-P713 HydrophobicContact CB-CG 3.94Å; P662-P713 HydrophobicContact CG-CG 4.35Å
663G81.9Confident82.1Confident31 Ų3172 Ų7232%0.3237%0.369SS..  trans91.7167.5-179.400000113.7N661 F685N661-G663 VanDerWaalsContact C-N 3.26Å; N661-G663 PolarHBondContact O-N 3.15Å; N661-G663 PolarHBondContact OD1-N 2.82Å; G663-F685 WeakPolarHBondContact O-CE1 3.35Å
664V84.7Confident82.1Confident84 Ų8474.1 Ų74.151%0.50937%0.373SS..PPolyproline II helixtrans-99.8142.3174.6-68.10000110.6Q670V664-Q670 HydrophobicContact CG1-CB 3.99Å; V664-Q670 VanDerWaalsContact CG1-CD 3.47Å; V664-Q670 HydrophobicContact CG1-CG 3.61Å
665P83.5Confident82.3Confident14 Ų1476.7 Ų76.79%0.09138%0.383CS..PPolyproline II helixtrans-75153.1177.931.2-35.1000112.4N667 G668 F685 P714P665-N667 PolarHBondContact O-N 3Å; P665-G668 PolarHBondContact O-N 3.31Å; P665-G668 VanDerWaalsContact O-N 3.08Å; P665-F685 HydrophobicContact CG-CD1 4.31Å; P665-P714 WeakPolarHBondContact CB-O 3.44Å; P665-P714 WeakPolarHBondContact CG-O 3.45Å
666E80Confident83.1Confident165 Ų16574.8 Ų74.877%0.77138%0.376SS*.THydrogen-bonded Turntrans-63132.3176.1-165.2174.7-166.800110.5G668E666-G668 VanDerWaalsContact C-N 3.29Å; E666-G668 PolarHBondContact O-N 3.08Å
667N80.5Confident83.7Confident76 Ų7671 Ų7141%0.40636%0.361SS..THydrogen-bonded Turntrans60.528.8-170.3-52.3-62.8000115.3P665 Y688 F691 C716P665-N667 PolarHBondContact O-N 3Å; N667-Y688 WeakPolarHBondContact O-CD2 3.49Å; N667-Y688 PolarHBondContact O-N 3.33Å; N667-F691 HydrophobicContact CB-CD1 4.15Å; N667-F691 HydrophobicContact CB-CD2 4.34Å; N667-F691 HydrophobicContact CB-CE1 3.9Å; N667-F691 HydrophobicContact CB-CE2 4.11Å; N667-F691 HydrophobicContact CB-CG 4.37Å; N667-F691 HydrophobicContact CB-CZ 3.88Å; N667-C716 HydrophobicContact CB-CB 4.4Å
668G84.2Confident84.1Confident8 Ų870.5 Ų70.58%0.08236%0.359CS..EExtended strand (participates in β ladder)trans-138.3-173.3169.400000114.9P665 E666 F686 Y688P665-G668 PolarHBondContact O-N 3.31Å; P665-G668 VanDerWaalsContact O-N 3.08Å; E666-G668 VanDerWaalsContact C-N 3.29Å; E666-G668 PolarHBondContact O-N 3.08Å; G668-F686 CarbonylContact C-O 3.54Å; G668-F686 WeakPolarHBondContact CA-O 3.32Å; G668-Y688 WeakPolarHBondContact O-CE2 3.06Å; G668-Y688 PolarHBondContact O-OH 2.93Å
669Y86.8Confident84Confident102 Ų10269.8 Ų69.840%0.436%0.357SS..EExtended strand (participates in β ladder)trans-148.2168.8175.366.5-85000111.4F685 F686 Y688Y669-F685 CarbonylContact O-C 3.39Å; Y669-F685 WeakPolarHBondContact O-CA 3.36Å; Y669-F686 HydrophobicContact CD1-CB 4.07Å; Y669-F686 HydrophobicContact CD2-CB 4.43Å; Y669-F686 HydrophobicContact CD2-CD2 4.21Å; Y669-F686 HydrophobicContact CE1-CB 3.56Å; Y669-F686 HydrophobicContact CE1-CG 4.45Å; Y669-F686 HydrophobicContact CE2-CB 3.96Å; Y669-F686 AromaticContact CE2-CD2 3.53Å; Y669-F686 HydrophobicContact CE2-CD2 3.53Å; Y669-F686 HydrophobicContact CE2-CE2 4.39Å; Y669-F686 HydrophobicContact CE2-CG 4.11Å; Y669-F686 HydrophobicContact CG-CB 4.48Å; Y669-F686 VanDerWaalsContact CZ-CB 3.49Å; Y669-F686 AromaticContact CZ-CD2 3.8Å; Y669-F686 AromaticContact CZ-CG 3.89Å; Y669-F686 PolarHBondContact N-O 3.42Å; Y669-F686 PolarHBondContact O-N 2.92Å; Y669-Y688 HydrophobicContact CD1-CD1 4.15Å; Y669-Y688 AromaticContact CD1-CE1 3.61Å; Y669-Y688 HydrophobicContact CD1-CE1 3.61Å; Y669-Y688 AromaticContact CD1-CZ 3.96Å; Y669-Y688 HydrophobicContact CE1-CD1 4.38Å; Y669-Y688 HydrophobicContact CE1-CE1 4.15Å
670Q89Confident83.9Confident29 Ų2972.4 Ų72.414%0.13639%0.385CS..EExtended strand (participates in β ladder)trans-119.4156.4179.467.9-172.6-800111.8V664 L672 L683 R684 F685V664-Q670 HydrophobicContact CG1-CB 3.99Å; V664-Q670 VanDerWaalsContact CG1-CD 3.47Å; V664-Q670 HydrophobicContact CG1-CG 3.61Å; Q670-L672 VanDerWaalsContact CD-O 3.24Å; Q670-L672 WeakPolarHBondContact CG-O 3.37Å; Q670-L672 PolarHBondContact NE2-O 3Å; Q670-L672 PolarHBondContact O-N 3.46Å; Q670-L683 HydrophobicContact CB-CD1 4.08Å; Q670-L683 HydrophobicContact CG-CD1 4.43Å; Q670-R684 CarbonylContact C-O 3.6Å; Q670-R684 VanDerWaalsContact CA-O 3.32Å; Q670-R684 WeakPolarHBondContact CA-O 3.35Å; Q670-F685 HydrophobicContact CB-CD1 3.72Å; Q670-F685 HydrophobicContact CB-CE1 3.75Å
671T86.1Confident83.9Confident76 Ų7669.7 Ų69.747%0.46637%0.369SS..SBendtrans-65.4-33.3-178.443.10000115R684 F686T671-R684 HydrophobicContact CG2-CB 3.72Å; T671-R684 HydrophobicContact CG2-CG 4.01Å; T671-R684 PolarHBondContact N-O 3.45Å; T671-R684 PolarHBondContact OG1-N 3.02Å; T671-R684 PolarHBondContact OG1-O 3.21Å; T671-F686 HydrophobicContact CG2-CD2 4.49Å; T671-F686 HydrophobicContact CG2-CE2 3.67Å; T671-F686 HydrophobicContact CG2-CZ 4.48Å
672L83.3Confident84.1Confident96 Ų9671.5 Ų71.550%0.50338%0.384SS..  trans-148.3149.5-174.2-169.964.7000109.9Q670 K674 Y677Q670-L672 VanDerWaalsContact CD-O 3.24Å; Q670-L672 WeakPolarHBondContact CG-O 3.37Å; Q670-L672 PolarHBondContact NE2-O 3Å; Q670-L672 PolarHBondContact O-N 3.46Å; L672-K674 HydrophobicContact CD2-CG 4.18Å; L672-K674 HydrophobicContact CG-CG 4.46Å; L672-Y677 PolarHBondContact O-OH 3.4Å
673Y84.5Confident84.2Confident146 Ų14669.6 Ų69.657%0.57337%0.372SS*.  trans-112.2111168.9-173.9-83.2000110H675Y673-H675 AromaticContact CE1-CE1 3.73Å; Y673-H675 AromaticContact CE1-ND1 3.94Å; Y673-H675 AromaticContact CE1-NE2 3.86Å; Y673-H675 AromaticContact CZ-CE1 3.87Å; Y673-H675 AromaticContact CZ-ND1 3.98Å; Y673-H675 PolarHBondContact OH-CE1 3.38Å; Y673-H675 PolarHBondContact OH-ND1 3.46Å
674K83.8Confident84.6Confident69 Ų6973.8 Ų73.830%0.338%0.378SS..  trans-116.7153.1156-51-172.6-171-176.80109N661 L672 H676 Y677 E681N661-K674 WeakPolarHBondContact CB-O 3.1Å; N661-K674 PolarHBondContact ND2-O 2.96Å; L672-K674 HydrophobicContact CD2-CG 4.18Å; L672-K674 HydrophobicContact CG-CG 4.46Å; K674-H676 VanDerWaalsContact CB-O 3.27Å; K674-H676 WeakPolarHBondContact CB-O 3.42Å; K674-H676 WeakPolarHBondContact CD-O 3.17Å; K674-Y677 HydrophobicContact CB-CD1 4.32Å; K674-Y677 HydrophobicContact CB-CD2 4.33Å; K674-Y677 HydrophobicContact CB-CE1 3.91Å; K674-Y677 HydrophobicContact CB-CE2 3.96Å; K674-Y677 HydrophobicContact CD-CD1 3.81Å; K674-Y677 HydrophobicContact CD-CE1 3.8Å; K674-Y677 HydrophobicContact CD-CG 4.47Å; K674-Y677 HydrophobicContact CG-CD1 4.22Å; K674-Y677 HydrophobicContact CG-CE1 3.71Å; K674-Y677 PolarHBondContact N-OH 2.9Å; K674-Y677 VanDerWaalsContact N-OH 3.11Å; K674-Y677 WeakPolarHBondContact O-CE2 3.46Å; K674-E681 IonicContact NZ-OE1 3.2Å; K674-E681 PolarHBondContact NZ-OE1 3.25Å; K674-E681 IonicContact NZ-OE2 3.29Å; K674-E681 PolarHBondContact NZ-OE2 3.46Å
675H81.9Confident84.8Confident124 Ų12469.8 Ų69.857%0.57435%0.354SS*.SBendtrans-70.9-33.7167.5-71.8-71.1000112.3N661 Y673N661-H675 PolarHBondContact N-O 3.4Å; Y673-H675 AromaticContact CE1-CE1 3.73Å; Y673-H675 AromaticContact CE1-ND1 3.94Å; Y673-H675 AromaticContact CE1-NE2 3.86Å; Y673-H675 AromaticContact CZ-CE1 3.87Å; Y673-H675 AromaticContact CZ-ND1 3.98Å; Y673-H675 PolarHBondContact OH-CE1 3.38Å; Y673-H675 PolarHBondContact OH-ND1 3.46Å
676H86.4Confident85Confident102 Ų10272.7 Ų72.747%0.47237%0.365SS..EExtended strand (participates in β ladder)trans-135.7140.9-176.7-59.699.6000109.6P658 C659 L660 K674P658-H676 HydrophobicContact CB-CB 4.04Å; P658-H676 HydrophobicContact CG-CB 4.01Å; C659-H676 CarbonylContact O-C 3.59Å; C659-H676 WeakPolarHBondContact O-CA 3.43Å; L660-H676 WeakPolarHBondContact CD2-NE2 3.2Å; K674-H676 VanDerWaalsContact CB-O 3.27Å; K674-H676 WeakPolarHBondContact CB-O 3.42Å; K674-H676 WeakPolarHBondContact CD-O 3.17Å
677Y85.3Confident85.4Confident3 Ų366 Ų661%0.01234%0.336CS..EExtended strand (participates in β ladder)trans-121.2136178.1-68.9-90.2000110.2P658 C659 N661 L672 K674 E681 L683 W709P658-Y677 CarbonylContact C-O 3.59Å; P658-Y677 WeakPolarHBondContact CA-O 3.03Å; P658-Y677 WeakPolarHBondContact CB-O 3.45Å; C659-Y677 PolarHBondContact N-O 2.94Å; C659-Y677 PolarHBondContact O-N 3.43Å; N661-Y677 HydrophobicContact CB-CE2 4.29Å; L672-Y677 PolarHBondContact O-OH 3.4Å; K674-Y677 HydrophobicContact CB-CD1 4.32Å; K674-Y677 HydrophobicContact CB-CD2 4.33Å; K674-Y677 HydrophobicContact CB-CE1 3.91Å; K674-Y677 HydrophobicContact CB-CE2 3.96Å; K674-Y677 HydrophobicContact CD-CD1 3.81Å; K674-Y677 HydrophobicContact CD-CE1 3.8Å; K674-Y677 HydrophobicContact CD-CG 4.47Å; K674-Y677 HydrophobicContact CG-CD1 4.22Å; K674-Y677 HydrophobicContact CG-CE1 3.71Å; K674-Y677 PolarHBondContact N-OH 2.9Å; K674-Y677 VanDerWaalsContact N-OH 3.11Å; K674-Y677 WeakPolarHBondContact O-CE2 3.46Å; Y677-E681 WeakPolarHBondContact CA-OE2 3.48Å; Y677-E681 HydrophobicContact CD1-CB 4.35Å; Y677-L683 HydrophobicContact CE1-CD1 4.43Å; Y677-L683 HydrophobicContact CE2-CD2 4.14Å; Y677-W709 HydrophobicContact CD1-CH2 4.24Å; Y677-W709 AromaticContact CD2-CH2 3.71Å; Y677-W709 HydrophobicContact CD2-CH2 3.71Å; Y677-W709 AromaticContact CD2-CZ2 3.53Å; Y677-W709 HydrophobicContact CD2-CZ2 3.53Å; Y677-W709 HydrophobicContact CE2-CH2 4.34Å; Y677-W709 HydrophobicContact CE2-CZ2 4.22Å; Y677-W709 AromaticContact CG-CH2 3.63Å; Y677-W709 HydrophobicContact CG-CH2 3.63Å; Y677-W709 AromaticContact CG-CZ2 3.87Å; Y677-W709 HydrophobicContact CG-CZ2 3.87Å
678Q83.3Confident85.5Confident108 Ų10868.3 Ų68.351%0.50534%0.34SS..  trans-74.5156179.3-62.2-61.7-14.900111.3G680 E681Q678-G680 PolarHBondContact O-N 2.84Å; Q678-E681 HydrophobicContact CB-CG 4.11Å; Q678-E681 PolarHBondContact N-OE2 2.84Å; Q678-E681 WeakPolarHBondContact O-CB 3.03Å; Q678-E681 WeakPolarHBondContact O-CG 3.41Å; Q678-E681 PolarHBondContact O-N 2.97Å
679A79.4Confident85.3Confident31 Ų3177.3 Ų77.326%0.25638%0.38SS..THydrogen-bonded Turntrans-58.8129.2174.200000110.4Y656 C701 P703Y656-A679 HydrophobicContact CD2-CB 4.05Å; Y656-A679 HydrophobicContact CG-CB 4.06Å; A679-C701 CarbonylContact C-O 3.53Å; A679-C701 WeakPolarHBondContact CA-O 3.5Å; A679-P703 HydrophobicContact CB-CB 3.93Å; A679-P703 HydrophobicContact CB-CG 3.96Å
680G81.5Confident84.6Confident60 Ų6074.8 Ų74.862%0.61939%0.385SS*.THydrogen-bonded Turntrans94.9-14.9-170.800000115Q678 C701Q678-G680 PolarHBondContact O-N 2.84Å; G680-C701 PolarHBondContact N-O 3.43Å
681E85.9Confident84.1Confident62 Ų6276.4 Ų76.429%0.2939%0.392SS..  trans-73.5150176.2-63.4-159.7113.100112.3K674 Y677 Q678 T700 C701K674-E681 IonicContact NZ-OE1 3.2Å; K674-E681 PolarHBondContact NZ-OE1 3.25Å; K674-E681 IonicContact NZ-OE2 3.29Å; K674-E681 PolarHBondContact NZ-OE2 3.46Å; Y677-E681 WeakPolarHBondContact CA-OE2 3.48Å; Y677-E681 HydrophobicContact CD1-CB 4.35Å; Q678-E681 HydrophobicContact CB-CG 4.11Å; Q678-E681 PolarHBondContact N-OE2 2.84Å; Q678-E681 WeakPolarHBondContact O-CB 3.03Å; Q678-E681 WeakPolarHBondContact O-CG 3.41Å; Q678-E681 PolarHBondContact O-N 2.97Å; E681-T700 WeakPolarHBondContact O-CA 3.32Å; E681-C701 PolarHBondContact O-N 3.45Å
682S88.3Confident83.8Confident74 Ų7478.5 Ų78.552%0.51740%0.397SS..EExtended strand (participates in β ladder)trans-123.3145.8-179.162.40000112.3I699S682-I699 CarbonylContact C-O 3.57Å; S682-I699 WeakPolarHBondContact CA-O 3.33Å
683L88.2Confident83.8Confident1 Ų176.2 Ų76.21%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-128.4127.4-176.7-178.658.9000109.2P662 Q670 Y677 F685 T698 I699 W709P662-L683 HydrophobicContact CG-CD2 4.11Å; Q670-L683 HydrophobicContact CB-CD1 4.08Å; Q670-L683 HydrophobicContact CG-CD1 4.43Å; Y677-L683 HydrophobicContact CE1-CD1 4.43Å; Y677-L683 HydrophobicContact CE2-CD2 4.14Å; L683-F685 HydrophobicContact CD2-CE1 4.41Å; L683-F685 HydrophobicContact CD2-CE2 4.49Å; L683-F685 HydrophobicContact CD2-CZ 3.83Å; L683-F685 HydrophobicContact CG-CE2 4.32Å; L683-F685 HydrophobicContact CG-CZ 4.02Å; L683-T698 CarbonylContact O-C 3.58Å; L683-T698 WeakPolarHBondContact O-CA 3.49Å; L683-I699 HydrophobicContact CB-CG1 4.2Å; L683-I699 PolarHBondContact N-O 2.75Å; L683-I699 PolarHBondContact O-N 3.04Å; L683-W709 HydrophobicContact CB-CH2 4.05Å; L683-W709 HydrophobicContact CB-CZ3 4.04Å; L683-W709 HydrophobicContact CD2-CH2 4.34Å
684R89.7Confident83.6Confident119 Ų11973.3 Ų73.345%0.44938%0.378SS..EExtended strand (participates in β ladder)trans-112.6139.6-175.3170.6170.9-63.8174.61.5111Q670 T671 F686 V697 T698Q670-R684 CarbonylContact C-O 3.6Å; Q670-R684 VanDerWaalsContact CA-O 3.32Å; Q670-R684 WeakPolarHBondContact CA-O 3.35Å; T671-R684 HydrophobicContact CG2-CB 3.72Å; T671-R684 HydrophobicContact CG2-CG 4.01Å; T671-R684 PolarHBondContact N-O 3.45Å; T671-R684 PolarHBondContact OG1-N 3.02Å; T671-R684 PolarHBondContact OG1-O 3.21Å; R684-F686 HydrophobicContact CG-CE1 4.42Å; R684-F686 HydrophobicContact CG-CE2 3.94Å; R684-F686 HydrophobicContact CG-CZ 3.87Å; R684-V697 WeakPolarHBondContact CA-O 3.5Å; R684-V697 WeakPolarHBondContact CG-O 3.47Å; R684-T698 HydrophobicContact CB-CG2 4.27Å; R684-T698 WeakPolarHBondContact CB-OG1 3.2Å; R684-T698 PolarHBondContact NE-OG1 3.29Å; R684-T698 PolarHBondContact NH2-OG1 2.96Å
685F89.3Confident83.6Confident0 Ų072.6 Ų72.60%039%0.39CS..EExtended strand (participates in β ladder)trans-114.2156179.3-59.7-81.2000111.8P662 G663 P665 Y669 Q670 L683 L693 V697 I699 P713 P714P662-F685 HydrophobicContact CG-CZ 4.42Å; G663-F685 WeakPolarHBondContact O-CE1 3.35Å; P665-F685 HydrophobicContact CG-CD1 4.31Å; Y669-F685 CarbonylContact O-C 3.39Å; Y669-F685 WeakPolarHBondContact O-CA 3.36Å; Q670-F685 HydrophobicContact CB-CD1 3.72Å; Q670-F685 HydrophobicContact CB-CE1 3.75Å; L683-F685 HydrophobicContact CD2-CE1 4.41Å; L683-F685 HydrophobicContact CD2-CE2 4.49Å; L683-F685 HydrophobicContact CD2-CZ 3.83Å; L683-F685 HydrophobicContact CG-CE2 4.32Å; L683-F685 HydrophobicContact CG-CZ 4.02Å; F685-L693 HydrophobicContact CB-CD1 4.44Å; F685-L693 WeakPolarHBondContact O-CD1 3.43Å; F685-V697 PolarHBondContact N-O 3.28Å; F685-V697 VanDerWaalsContact N-O 3.08Å; F685-I699 HydrophobicContact CE2-CD1 3.67Å; F685-I699 HydrophobicContact CE2-CG1 3.89Å; F685-I699 HydrophobicContact CE2-CG2 4.46Å; F685-I699 HydrophobicContact CZ-CD1 4.12Å; F685-P713 HydrophobicContact CE2-CB 4.44Å; F685-P713 HydrophobicContact CZ-CB 4.24Å; F685-P713 HydrophobicContact CZ-CG 4.43Å; F685-P714 HydrophobicContact CB-CG 3.71Å; F685-P714 HydrophobicContact CD2-CG 3.89Å; F685-P714 HydrophobicContact CG-CG 4.01Å
686F88.1Confident83.8Confident75 Ų7571 Ų7133%0.32938%0.383SS..EExtended strand (participates in β ladder)trans-140.4152175.1-61.9-77.1000109.6G668 Y669 T671 R684G668-F686 CarbonylContact C-O 3.54Å; G668-F686 WeakPolarHBondContact CA-O 3.32Å; Y669-F686 HydrophobicContact CD1-CB 4.07Å; Y669-F686 HydrophobicContact CD2-CB 4.43Å; Y669-F686 HydrophobicContact CD2-CD2 4.21Å; Y669-F686 HydrophobicContact CE1-CB 3.56Å; Y669-F686 HydrophobicContact CE1-CG 4.45Å; Y669-F686 HydrophobicContact CE2-CB 3.96Å; Y669-F686 AromaticContact CE2-CD2 3.53Å; Y669-F686 HydrophobicContact CE2-CD2 3.53Å; Y669-F686 HydrophobicContact CE2-CE2 4.39Å; Y669-F686 HydrophobicContact CE2-CG 4.11Å; Y669-F686 HydrophobicContact CG-CB 4.48Å; Y669-F686 VanDerWaalsContact CZ-CB 3.49Å; Y669-F686 AromaticContact CZ-CD2 3.8Å; Y669-F686 AromaticContact CZ-CG 3.89Å; Y669-F686 PolarHBondContact N-O 3.42Å; Y669-F686 PolarHBondContact O-N 2.92Å; T671-F686 HydrophobicContact CG2-CD2 4.49Å; T671-F686 HydrophobicContact CG2-CE2 3.67Å; T671-F686 HydrophobicContact CG2-CZ 4.48Å; R684-F686 HydrophobicContact CG-CE1 4.42Å; R684-F686 HydrophobicContact CG-CE2 3.94Å; R684-F686 HydrophobicContact CG-CZ 3.87Å
687C87.4Confident83.8Confident25 Ų2569.5 Ų69.517%0.16938%0.381CS..EExtended strand (participates in β ladder)trans-100.3156172.3-61.20000110.7F691 C716C687-F691 HydrophobicContact CB-CB 3.98Å; C687-C716 WeakPolarHBondContact CA-SG 3.45Å; C687-C716 HydrophobicContact CB-CB 3.76Å; C687-C716 WeakPolarHBondContact CB-SG 3.21Å; C687-C716 WeakPolarHBondContact SG-CA 3.45Å; C687-C716 WeakPolarHBondContact SG-CB 3.39Å; C687-C716 CovalentContact SG-SG 2.03Å; C687-C716 PolarHBondContact SG-SG 2.86Å
688Y83.6Confident84Confident125 Ų12570.7 Ų70.749%0.4939%0.388SS..PPolyproline II helixtrans-74.1163.9169.2-60.2-64.1000111.5N667 G668 Y669 F691N667-Y688 WeakPolarHBondContact O-CD2 3.49Å; N667-Y688 PolarHBondContact O-N 3.33Å; G668-Y688 WeakPolarHBondContact O-CE2 3.06Å; G668-Y688 PolarHBondContact O-OH 2.93Å; Y669-Y688 HydrophobicContact CD1-CD1 4.15Å; Y669-Y688 AromaticContact CD1-CE1 3.61Å; Y669-Y688 HydrophobicContact CD1-CE1 3.61Å; Y669-Y688 AromaticContact CD1-CZ 3.96Å; Y669-Y688 HydrophobicContact CE1-CD1 4.38Å; Y669-Y688 HydrophobicContact CE1-CE1 4.15Å; Y688-F691 PolarHBondContact O-N 2.85Å
689E79.2Confident84.2Confident196 Ų19665.5 Ų65.592%0.91636%0.364SS*.THydrogen-bonded Turntrans-56.8140.1-176.2-61.9-172.315300112.6
690G72.3Confident84.7Confident50 Ų5066.3 Ų66.352%0.51537%0.366SS..THydrogen-bonded Turntrans88.1-3.7-174.900000115.2
691F79.3Confident85Confident63 Ų6363.5 Ų63.528%0.27634%0.337SS..EExtended strand (participates in β ladder)trans-117.8135.1176.1-60.5-102.9000111.9N667 C687 Y688 C716 K717 V718N667-F691 HydrophobicContact CB-CD1 4.15Å; N667-F691 HydrophobicContact CB-CD2 4.34Å; N667-F691 HydrophobicContact CB-CE1 3.9Å; N667-F691 HydrophobicContact CB-CE2 4.11Å; N667-F691 HydrophobicContact CB-CG 4.37Å; N667-F691 HydrophobicContact CB-CZ 3.88Å; C687-F691 HydrophobicContact CB-CB 3.98Å; Y688-F691 PolarHBondContact O-N 2.85Å; F691-C716 HydrophobicContact CB-CB 3.96Å; F691-C716 HydrophobicContact CD1-CB 4.27Å; F691-C716 HydrophobicContact CG-CB 4.38Å; F691-K717 CarbonylContact C-O 3.55Å; F691-K717 VanDerWaalsContact CA-O 3.31Å; F691-K717 WeakPolarHBondContact CA-O 3.33Å; F691-V718 HydrophobicContact CD1-CG2 3.87Å; F691-V718 HydrophobicContact CE1-CG2 3.54Å; F691-V718 HydrophobicContact CZ-CG2 4.07Å
692E78.8Confident84.9Confident120 Ų12063.4 Ų63.456%0.56134%0.341SS*.EExtended strand (participates in β ladder)trans-93141.5170.9178.9169.5-143.100110.6C716 K717 T719E692-C716 WeakPolarHBondContact O-CA 3.45Å; E692-K717 PolarHBondContact N-O 2.85Å; E692-K717 PolarHBondContact O-N 3.06Å; E692-T719 HydrophobicContact CB-CG2 3.57Å; E692-T719 HydrophobicContact CG-CG2 4.5Å
693L84.1Confident84.5Confident47 Ų4763.5 Ų63.525%0.24634%0.339CS..EExtended strand (participates in β ladder)trans-87.4112.3-177.2-172.2151.8000110F685 V697 P714F685-L693 HydrophobicContact CB-CD1 4.44Å; F685-L693 WeakPolarHBondContact O-CD1 3.43Å; L693-V697 HydrophobicContact CD1-CG2 4.12Å; L693-V697 HydrophobicContact CD2-CB 4.11Å; L693-V697 HydrophobicContact CD2-CG2 4.49Å; L693-P714 HydrophobicContact CD1-CB 4.45Å; L693-P714 HydrophobicContact CD1-CG 4.05Å; L693-P714 HydrophobicContact CD2-CB 3.54Å; L693-P714 HydrophobicContact CD2-CG 3.91Å; L693-P714 HydrophobicContact CG-CB 3.86Å; L693-P714 HydrophobicContact CG-CG 4.01Å
694I80.8Confident83.6Confident86 Ų8664.4 Ų64.444%0.44135%0.349SS..EExtended strand (participates in β ladder)trans-107.3100.6-179.5-56.2178.9000109.1L715 K717I694-L715 PolarHBondContact N-O 3.03Å; I694-L715 PolarHBondContact O-N 3.43Å; I694-K717 HydrophobicContact CD1-CB 3.94Å; I694-K717 HydrophobicContact CD1-CD 3.86Å; I694-K717 HydrophobicContact CD1-CG 4Å
695G82.8Confident82.4Confident54 Ų5464.7 Ų64.756%0.55736%0.355SS*.SBendtrans146.2-165.8-179.400000111.1
696E86.9Confident81.6Confident91 Ų9168.2 Ų68.243%0.42538%0.378SS..  trans-80.9120.5176.2-167.3169.3-136.300110.2T698 I699 T710 S711 P714E696-T698 WeakPolarHBondContact CG-O 3.36Å; E696-T698 PolarHBondContact O-N 3.44Å; E696-I699 HydrophobicContact CB-CG2 4.36Å; E696-T710 PolarHBondContact OE2-OG1 2.85Å; E696-T710 VanDerWaalsContact OE2-OG1 3.08Å; E696-S711 WeakPolarHBondContact CB-OG 3.41Å; E696-S711 WeakPolarHBondContact OE2-CB 3.37Å; E696-S711 PolarHBondContact OE2-OG 3.25Å; E696-P714 WeakPolarHBondContact O-CG 3.39Å
697V85.4Confident81.4Confident70 Ų7065.1 Ų65.142%0.42437%0.366SS..SBendtrans-67.6-19.1-177.367.40000113.1R684 F685 L693R684-V697 WeakPolarHBondContact CA-O 3.5Å; R684-V697 WeakPolarHBondContact CG-O 3.47Å; F685-V697 PolarHBondContact N-O 3.28Å; F685-V697 VanDerWaalsContact N-O 3.08Å; L693-V697 HydrophobicContact CD1-CG2 4.12Å; L693-V697 HydrophobicContact CD2-CB 4.11Å; L693-V697 HydrophobicContact CD2-CG2 4.49Å
698T89.1Confident81.2Confident27 Ų2770 Ų7017%0.16639%0.386CS..EExtended strand (participates in β ladder)trans-146.9111.5-179.9-580000109.9L683 R684 E696L683-T698 CarbonylContact O-C 3.58Å; L683-T698 WeakPolarHBondContact O-CA 3.49Å; R684-T698 HydrophobicContact CB-CG2 4.27Å; R684-T698 WeakPolarHBondContact CB-OG1 3.2Å; R684-T698 PolarHBondContact NE-OG1 3.29Å; R684-T698 PolarHBondContact NH2-OG1 2.96Å; E696-T698 WeakPolarHBondContact CG-O 3.36Å; E696-T698 PolarHBondContact O-N 3.44Å
699I89.1Confident81.4Confident0 Ų066.2 Ų66.20%037%0.371CS..EExtended strand (participates in β ladder)trans-96.5151.5179.967.2175.2000109.6P662 S682 L683 F685 E696 W709 S711P662-I699 HydrophobicContact CG-CD1 3.71Å; S682-I699 CarbonylContact C-O 3.57Å; S682-I699 WeakPolarHBondContact CA-O 3.33Å; L683-I699 HydrophobicContact CB-CG1 4.2Å; L683-I699 PolarHBondContact N-O 2.75Å; L683-I699 PolarHBondContact O-N 3.04Å; F685-I699 HydrophobicContact CE2-CD1 3.67Å; F685-I699 HydrophobicContact CE2-CG1 3.89Å; F685-I699 HydrophobicContact CE2-CG2 4.46Å; F685-I699 HydrophobicContact CZ-CD1 4.12Å; E696-I699 HydrophobicContact CB-CG2 4.36Å; I699-W709 HydrophobicContact CB-CE3 4.23Å; I699-W709 HydrophobicContact CD1-CB 4.22Å; I699-W709 HydrophobicContact CD1-CD2 3.8Å; I699-W709 HydrophobicContact CD1-CE3 3.68Å; I699-W709 HydrophobicContact CD1-CG 4.04Å; I699-W709 HydrophobicContact CD1-CZ3 4.32Å; I699-W709 HydrophobicContact CG1-CD2 4.23Å; I699-W709 HydrophobicContact CG1-CE3 3.57Å; I699-W709 HydrophobicContact CG1-CZ3 3.98Å; I699-S711 WeakPolarHBondContact CG2-OG 3.43Å
700T88.9Confident81.8Confident48 Ų4860 Ų6029%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-123.9145.7178.5790000111.8E681 V702 W709 T710E681-T700 WeakPolarHBondContact O-CA 3.32Å; T700-V702 PolarHBondContact O-N 2.98Å; T700-W709 CarbonylContact O-C 3.36Å; T700-W709 WeakPolarHBondContact O-CA 3.4Å; T700-T710 PolarHBondContact N-OG1 3.11Å; T700-T710 VanDerWaalsContact N-OG1 3.1Å; T700-T710 PolarHBondContact O-N 2.88Å; T700-T710 WeakPolarHBondContact OG1-CG2 3.4Å
701C87.6Confident82.3Confident0 Ų059.4 Ų59.40%034%0.335CS..EExtended strand (participates in β ladder)trans-80.598.6174.6177.90000108C659 A679 G680 E681 Q708 W709C659-C701 HydrophobicContact CB-CB 3.81Å; C659-C701 WeakPolarHBondContact CB-SG 3.46Å; C659-C701 VanDerWaalsContact SG-CA 3.52Å; C659-C701 WeakPolarHBondContact SG-CB 3.03Å; C659-C701 CovalentContact SG-SG 2.03Å; C659-C701 PolarHBondContact SG-SG 3.26Å; A679-C701 CarbonylContact C-O 3.53Å; A679-C701 WeakPolarHBondContact CA-O 3.5Å; G680-C701 PolarHBondContact N-O 3.43Å; E681-C701 PolarHBondContact O-N 3.45Å; C701-Q708 CarbonylContact C-O 3.52Å; C701-Q708 WeakPolarHBondContact CA-O 3.03Å; C701-W709 HydrophobicContact CB-CE3 4.16Å; C701-W709 HydrophobicContact CB-CH2 4.13Å; C701-W709 HydrophobicContact CB-CZ3 3.93Å
702V84.8Confident82.6Confident61 Ų6164.5 Ų64.537%0.3736%0.359SS..EExtended strand (participates in β ladder)trans-77.7137.9179.8-74.80000111T700 G704 S707 Q708 T710T700-V702 PolarHBondContact O-N 2.98Å; V702-G704 PolarHBondContact O-N 3.03Å; V702-S707 WeakPolarHBondContact O-CA 3.12Å; V702-S707 VanDerWaalsContact O-CB 3.31Å; V702-S707 WeakPolarHBondContact O-CB 3.26Å; V702-Q708 WeakPolarHBondContact CG2-O 3.49Å; V702-Q708 PolarHBondContact N-O 3.42Å; V702-Q708 PolarHBondContact O-N 2.97Å; V702-T710 HydrophobicContact CG1-CG2 3.73Å
703P78.8Confident82.8Confident76 Ų7660.7 Ų60.749%0.49435%0.345SS..  trans-59.1130.2-178.7-1624.7000112.3Y656 A679Y656-P703 HydrophobicContact CD1-CB 3.73Å; Y656-P703 HydrophobicContact CD2-CB 4.04Å; Y656-P703 HydrophobicContact CE1-CB 3.53Å; Y656-P703 HydrophobicContact CE2-CB 3.86Å; Y656-P703 HydrophobicContact CG-CB 3.99Å; A679-P703 HydrophobicContact CB-CB 3.93Å; A679-P703 HydrophobicContact CB-CG 3.96Å
704G69.5Low82.8Confident20 Ų2058.5 Ų58.521%0.20633%0.334CS..  trans-168.2-174.8178.800000113.8V702 P706 S707V702-G704 PolarHBondContact O-N 3.03Å; G704-P706 CarbonylContact C-O 3.57Å; G704-P706 CarbonylContact O-C 3.53Å; G704-S707 PolarHBondContact N-OG 2.98Å; G704-S707 PolarHBondContact O-N 2.96Å; G704-S707 PolarHBondContact O-OG 3.37Å
705H65.8Low83Confident125 Ų12559.4 Ų59.458%0.57934%0.338SS*.THydrogen-bonded Turntrans-13190.7175.7-66.2-69.2000110.4
706P72.5Confident83.1Confident74 Ų7457.6 Ų57.648%0.48132%0.317SS..THydrogen-bonded Turncis-70.9160.9-8.732.6-36.7000112G704G704-P706 CarbonylContact C-O 3.57Å; G704-P706 CarbonylContact O-C 3.53Å
707S81.9Confident82.6Confident10 Ų1059 Ų597%0.0732%0.322CS..  trans-65.8147170-54.60000110.4E657 C659 V702 G704E657-S707 WeakPolarHBondContact O-CB 3.39Å; E657-S707 PolarHBondContact O-OG 2.63Å; C659-S707 VanDerWaalsContact SG-C 3.54Å; C659-S707 VanDerWaalsContact SG-CB 3.57Å; V702-S707 WeakPolarHBondContact O-CA 3.12Å; V702-S707 VanDerWaalsContact O-CB 3.31Å; V702-S707 WeakPolarHBondContact O-CB 3.26Å; G704-S707 PolarHBondContact N-OG 2.98Å; G704-S707 PolarHBondContact O-N 2.96Å; G704-S707 PolarHBondContact O-OG 3.37Å
708Q83.6Confident82Confident128 Ų12860.6 Ų60.660%0.59833%0.332SS*.EExtended strand (participates in β ladder)trans-131.9160.1-174.4-58.9-173.322.900111.1C701 V702C701-Q708 CarbonylContact C-O 3.52Å; C701-Q708 WeakPolarHBondContact CA-O 3.03Å; V702-Q708 WeakPolarHBondContact CG2-O 3.49Å; V702-Q708 PolarHBondContact N-O 3.42Å; V702-Q708 PolarHBondContact O-N 2.97Å
709W87.4Confident80.4Confident44 Ų4462.4 Ų62.417%0.16734%0.342CS..EExtended strand (participates in β ladder)trans-80.6143.2173.2-66.4104.4000110.8C659 L660 P662 Y677 L683 I699 T700 C701 S711C659-W709 HydrophobicContact CB-CD2 4.31Å; C659-W709 HydrophobicContact CB-CZ2 3.77Å; L660-W709 PolarHBondContact O-NE1 3Å; P662-W709 HydrophobicContact CG-CD2 4.28Å; P662-W709 HydrophobicContact CG-CG 4.4Å; P662-W709 HydrophobicContact CG-CZ2 4.28Å; Y677-W709 HydrophobicContact CD1-CH2 4.24Å; Y677-W709 AromaticContact CD2-CH2 3.71Å; Y677-W709 HydrophobicContact CD2-CH2 3.71Å; Y677-W709 AromaticContact CD2-CZ2 3.53Å; Y677-W709 HydrophobicContact CD2-CZ2 3.53Å; Y677-W709 HydrophobicContact CE2-CH2 4.34Å; Y677-W709 HydrophobicContact CE2-CZ2 4.22Å; Y677-W709 AromaticContact CG-CH2 3.63Å; Y677-W709 HydrophobicContact CG-CH2 3.63Å; Y677-W709 AromaticContact CG-CZ2 3.87Å; Y677-W709 HydrophobicContact CG-CZ2 3.87Å; L683-W709 HydrophobicContact CB-CH2 4.05Å; L683-W709 HydrophobicContact CB-CZ3 4.04Å; L683-W709 HydrophobicContact CD2-CH2 4.34Å; I699-W709 HydrophobicContact CB-CE3 4.23Å; I699-W709 HydrophobicContact CD1-CB 4.22Å; I699-W709 HydrophobicContact CD1-CD2 3.8Å; I699-W709 HydrophobicContact CD1-CE3 3.68Å; I699-W709 HydrophobicContact CD1-CG 4.04Å; I699-W709 HydrophobicContact CD1-CZ3 4.32Å; I699-W709 HydrophobicContact CG1-CD2 4.23Å; I699-W709 HydrophobicContact CG1-CE3 3.57Å; I699-W709 HydrophobicContact CG1-CZ3 3.98Å; T700-W709 CarbonylContact O-C 3.36Å; T700-W709 WeakPolarHBondContact O-CA 3.4Å; C701-W709 HydrophobicContact CB-CE3 4.16Å; C701-W709 HydrophobicContact CB-CH2 4.13Å; C701-W709 HydrophobicContact CB-CZ3 3.93Å; W709-S711 PolarHBondContact O-N 2.95Å
710T88.6Confident78.4Confident65 Ų6571.8 Ų71.840%0.39939%0.386SS..SBendtrans-54.2-35.3176.647.90000113.4E696 T700 V702E696-T710 PolarHBondContact OE2-OG1 2.85Å; E696-T710 VanDerWaalsContact OE2-OG1 3.08Å; T700-T710 PolarHBondContact N-OG1 3.11Å; T700-T710 VanDerWaalsContact N-OG1 3.1Å; T700-T710 PolarHBondContact O-N 2.88Å; T700-T710 WeakPolarHBondContact OG1-CG2 3.4Å; V702-T710 HydrophobicContact CG1-CG2 3.73Å
711S83.8Confident76Confident39 Ų3975.4 Ų75.427%0.27341%0.409SS..SBendtrans-154.6170.8-178.4630000111E696 I699 W709E696-S711 WeakPolarHBondContact CB-OG 3.41Å; E696-S711 WeakPolarHBondContact OE2-CB 3.37Å; E696-S711 PolarHBondContact OE2-OG 3.25Å; I699-S711 WeakPolarHBondContact CG2-OG 3.43Å; W709-S711 PolarHBondContact O-N 2.95Å
712Q83.9Confident73.5Confident169 Ų16982.1 Ų82.179%0.7945%0.45SS*.PPolyproline II helixtrans-80.6155.1177.7-63.51790.600110.8
713P83Confident70.9Confident40 Ų4086.7 Ų86.726%0.2647%0.472SS..PPolyproline II helixtrans-52.7135.6177.3-27.535.5000112.8P662 F685P662-P713 HydrophobicContact CB-CG 3.94Å; P662-P713 HydrophobicContact CG-CG 4.35Å; F685-P713 HydrophobicContact CE2-CB 4.44Å; F685-P713 HydrophobicContact CZ-CB 4.24Å; F685-P713 HydrophobicContact CZ-CG 4.43Å
714P85.4Confident69.4Low2 Ų287.8 Ų87.81%0.01348%0.479CS..PPolyproline II helixtrans-72.9152.5-175.231.6-37000112.1P665 F685 L693 E696P665-P714 WeakPolarHBondContact CB-O 3.44Å; P665-P714 WeakPolarHBondContact CG-O 3.45Å; F685-P714 HydrophobicContact CB-CG 3.71Å; F685-P714 HydrophobicContact CD2-CG 3.89Å; F685-P714 HydrophobicContact CG-CG 4.01Å; L693-P714 HydrophobicContact CD1-CB 4.45Å; L693-P714 HydrophobicContact CD1-CG 4.05Å; L693-P714 HydrophobicContact CD2-CB 3.54Å; L693-P714 HydrophobicContact CD2-CG 3.91Å; L693-P714 HydrophobicContact CG-CB 3.86Å; L693-P714 HydrophobicContact CG-CG 4.01Å; E696-P714 WeakPolarHBondContact O-CG 3.39Å
715L84.2Confident67.5Low104 Ų10492.2 Ų92.255%0.54551%0.507SS..EExtended strand (participates in β ladder)trans-100.8129.6-175-66.8168.7000111.8I694I694-L715 PolarHBondContact N-O 3.03Å; I694-L715 PolarHBondContact O-N 3.43Å
716C84.5Confident66.1Low16 Ų1698.2 Ų98.211%0.10853%0.525CS..EExtended strand (participates in β ladder)trans-86.6119.9175.2-60.70000110.7N667 C687 F691 E692N667-C716 HydrophobicContact CB-CB 4.4Å; C687-C716 WeakPolarHBondContact CA-SG 3.45Å; C687-C716 HydrophobicContact CB-CB 3.76Å; C687-C716 WeakPolarHBondContact CB-SG 3.21Å; C687-C716 WeakPolarHBondContact SG-CA 3.45Å; C687-C716 WeakPolarHBondContact SG-CB 3.39Å; C687-C716 CovalentContact SG-SG 2.03Å; C687-C716 PolarHBondContact SG-SG 2.86Å; F691-C716 HydrophobicContact CB-CB 3.96Å; F691-C716 HydrophobicContact CD1-CB 4.27Å; F691-C716 HydrophobicContact CG-CB 4.38Å; E692-C716 WeakPolarHBondContact O-CA 3.45Å
717K76.6Confident64.4Low122 Ų122103.2 Ų103.253%0.5354%0.541SS..EExtended strand (participates in β ladder)trans-127.6146.7178-64.5-163.7-170.1173.50112.7F691 E692 I694F691-K717 CarbonylContact C-O 3.55Å; F691-K717 VanDerWaalsContact CA-O 3.31Å; F691-K717 WeakPolarHBondContact CA-O 3.33Å; E692-K717 PolarHBondContact N-O 2.85Å; E692-K717 PolarHBondContact O-N 3.06Å; I694-K717 HydrophobicContact CD1-CB 3.94Å; I694-K717 HydrophobicContact CD1-CD 3.86Å; I694-K717 HydrophobicContact CD1-CG 4Å
718V72.9Confident62.3Low103 Ų103109.4 Ų109.462%0.62457%0.573SS**EExtended strand (participates in β ladder)trans-68.1131.7-178.1-175.50000111.2F691F691-V718 HydrophobicContact CD1-CG2 3.87Å; F691-V718 HydrophobicContact CE1-CG2 3.54Å; F691-V718 HydrophobicContact CZ-CG2 4.07Å
719T56.4Low60.2Low64 Ų64111.9 Ų111.939%0.39359%0.585SS.*PPolyproline II helixtrans-81137.4175.640.80000112E692E692-T719 HydrophobicContact CB-CG2 3.57Å; E692-T719 HydrophobicContact CG-CG2 4.5Å
720Q46.6Very low58.3Low197 Ų197113.9 Ų113.992%0.92162%0.619SS**PPolyproline II helixtrans-103.9134.6172.2-68.9-171.2-6.100110.2
721T39.3Very low56.5Low124 Ų124113.9 Ų113.976%0.76163%0.632SS**  trans-124.1112.5-164.541.50000113.3
722T34.1Very low55.2Low142 Ų142119.1 Ų119.187%0.87166%0.657SS**  trans-14577.2163.654.30000111.7
723D30.6Very low53.6Low156 Ų156117.5 Ų117.583%0.83465%0.653SS**  4.4162.9126.3-138.841.3000119.4
724P46.6Very low52.1Low99 Ų99119 Ų11964%0.64367%0.668SS**  -132.4165.2-67.338.5-25000113.4
725S30.9Very low50.7Low113 Ų113124.2 Ų124.279%0.7970%0.696SS**  trans-175.4125.3140.344.60000113.5
726R35.8Very low49.3Very low252 Ų252122.8 Ų122.895%0.95170%0.699SS**  trans175.4133.2133.2-84-103.8168.8147.60.6108
727Q35.6Very low48.1Very low178 Ų178126.7 Ų126.783%0.83272%0.718SS**  trans-132.5159.3-179.4-164.7-177.83.700108.3
728L38Very low47.2Very low141 Ų141126.4 Ų126.474%0.73872%0.721SS**  trans68.3147.3-164.8-81.258.6000112.9
729E39.6Very low46.8Very low179 Ų179127.3 Ų127.384%0.83672%0.722SS**  cis-136.8132.89.2-146.2155.2128.500112
730G48.6Very low47Very low87 Ų87127.8 Ų127.890%0.89773%0.726SS**  trans-114.5101.4-179.800000111.3
731G50.5Low47.9Very low64 Ų64123.1 Ų123.166%0.6671%0.707SS**  trans-175.4137.3176.200000113.2
732N56.3Low49.2Very low149 Ų149118.8 Ų118.880%0.79769%0.687SS**  trans6161.6163.5-57-24.9000118.6
733L50.3Low51.1Low136 Ų136117.2 Ų117.271%0.71267%0.672SS**  trans-120.7-6.8157.4-140.883.5000115.6
734A51.4Low53.2Low70 Ų70114.4 Ų114.458%0.57966%0.661SS**SBendtrans-74-38.6-18000000113.6L738A734-L738 WeakPolarHBondContact O-CG 3.01Å; A734-L738 PolarHBondContact O-N 3.45Å
735L54.9Low54.5Low113 Ų113115.2 Ų115.259%0.59266%0.659SS**Hα-helixtrans-73.4-29.4-174.4-74.5167.7000113.7I737 L739L735-I737 VanDerWaalsContact C-N 3.27Å; L735-I737 PolarHBondContact O-N 3.08Å; L735-L739 WeakPolarHBondContact O-CB 3.47Å; L735-L739 WeakPolarHBondContact O-CG 3.02Å; L735-L739 PolarHBondContact O-N 2.91Å
736A55.4Low56.7Low73 Ų73114.7 Ų114.760%0.60365%0.65SS**Hα-helixtrans-68.5-24-178.100000113.7P740A736-P740 VanDerWaalsContact O-CD 3.31Å; A736-P740 WeakPolarHBondContact O-CD 3.35Å; A736-P740 WeakPolarHBondContact O-CG 3.16Å
737I59.1Low58.7Low99 Ų99107.9 Ų107.951%0.50863%0.632SS.*Hα-helixtrans-101-36.9-177.5-61.2173.9000111.2L735 P740 L741L735-I737 VanDerWaalsContact C-N 3.27Å; L735-I737 PolarHBondContact O-N 3.08Å; I737-P740 WeakPolarHBondContact O-CD 3.02Å; I737-P740 WeakPolarHBondContact O-CG 3.31Å; I737-L741 HydrophobicContact CG2-CD1 4.07Å
738L57.8Low60.6Low115 Ų115101.4 Ų101.460%0.60261%0.614SS**Hα-helixtrans-73.7-33.1-178.4-68.2173.5000113.7A734 G742A734-L738 WeakPolarHBondContact O-CG 3.01Å; A734-L738 PolarHBondContact O-N 3.45Å; L738-G742 PolarHBondContact O-N 3.08Å
739L63.9Low62Low123 Ų12397.4 Ų97.464%0.64460%0.597SS**Hα-helixtrans-62.7-50.6178.1-75.6170.4000113.9L735 G742 L743L735-L739 WeakPolarHBondContact O-CB 3.47Å; L735-L739 WeakPolarHBondContact O-CG 3.02Å; L735-L739 PolarHBondContact O-N 2.91Å; L739-G742 PolarHBondContact O-N 2.93Å; L739-L743 WeakPolarHBondContact O-CB 3.39Å; L739-L743 PolarHBondContact O-N 3.36Å; L739-L743 VanDerWaalsContact O-N 3.08Å
740P61.6Low63.7Low74 Ų7490.7 Ų90.748%0.48158%0.576SS.*Hα-helixtrans-66.2-38176.923.8-32.7000112.8A736 I737 L743 V744A736-P740 VanDerWaalsContact O-CD 3.31Å; A736-P740 WeakPolarHBondContact O-CD 3.35Å; A736-P740 WeakPolarHBondContact O-CG 3.16Å; I737-P740 WeakPolarHBondContact O-CD 3.02Å; I737-P740 WeakPolarHBondContact O-CG 3.31Å; P740-L743 PolarHBondContact O-N 2.89Å; P740-V744 WeakPolarHBondContact O-CG2 3.48Å; P740-V744 PolarHBondContact O-N 3.35Å
741L64.9Low65Low98 Ų9890.8 Ų90.851%0.51356%0.559SS.*Hα-helixtrans-63.1-44.9176-85.9165.9000112.3I737 L743 V744 I745I737-L741 HydrophobicContact CG2-CD1 4.07Å; L741-L743 VanDerWaalsContact C-N 3.33Å; L741-L743 PolarHBondContact O-N 3.1Å; L741-V744 PolarHBondContact O-N 2.86Å; L741-I745 WeakPolarHBondContact O-CG1 3.21Å; L741-I745 PolarHBondContact O-N 2.84Å; L741-I745 VanDerWaalsContact O-N 3.09Å
742G68.3Low65.9Low33 Ų3395.2 Ų95.234%0.3456%0.557SS.*Hα-helixtrans-60.5-41.5175.100000112.5L738 L739 I745 V746L738-G742 PolarHBondContact O-N 3.08Å; L739-G742 PolarHBondContact O-N 2.93Å; G742-I745 PolarHBondContact O-N 2.87Å; G742-V746 WeakPolarHBondContact O-CG2 3.46Å; G742-V746 PolarHBondContact O-N 2.94Å
743L73.8Confident66.4Low109 Ų10992.5 Ų92.557%0.57154%0.541SS*.Hα-helixtrans-67.9-37.8-179.9-162.2148.9000112.1L739 P740 L741 V746 L747L739-L743 WeakPolarHBondContact O-CB 3.39Å; L739-L743 PolarHBondContact O-N 3.36Å; L739-L743 VanDerWaalsContact O-N 3.08Å; P740-L743 PolarHBondContact O-N 2.89Å; L741-L743 VanDerWaalsContact C-N 3.33Å; L741-L743 PolarHBondContact O-N 3.1Å; L743-V746 PolarHBondContact O-N 2.79Å; L743-L747 HydrophobicContact CD2-CD1 3.62Å; L743-L747 HydrophobicContact CD2-CG 4.14Å; L743-L747 WeakPolarHBondContact O-CG 3.43Å; L743-L747 PolarHBondContact O-N 3.45Å
744V74.4Confident67.5Low97 Ų9793.4 Ų93.459%0.58854%0.536SS*.Hα-helixtrans-63.2-41.5172.1170.10000111.8P740 L741 L747 G748P740-V744 WeakPolarHBondContact O-CG2 3.48Å; P740-V744 PolarHBondContact O-N 3.35Å; L741-V744 PolarHBondContact O-N 2.86Å; V744-L747 PolarHBondContact O-N 2.66Å; V744-G748 PolarHBondContact O-N 3.27Å
745I73.1Confident68.2Low117 Ų11796.9 Ų96.960%0.654%0.536SS*.Hα-helixtrans-67-39.7177.9-67.4165.5000111.3L741 G742 S749L741-I745 WeakPolarHBondContact O-CG1 3.21Å; L741-I745 PolarHBondContact O-N 2.84Å; L741-I745 VanDerWaalsContact O-N 3.09Å; G742-I745 PolarHBondContact O-N 2.87Å; I745-S749 WeakPolarHBondContact O-CB 3.18Å; I745-S749 PolarHBondContact O-N 2.03Å; I745-S749 PolarHBondContact O-OG 3.36Å
746V77.3Confident68.6Low101 Ų10192.7 Ų92.761%0.61252%0.515SS*.Hα-helixtrans-65.9-42.2175.7170.30000111.8G742 L743 S749 G750G742-V746 WeakPolarHBondContact O-CG2 3.46Å; G742-V746 PolarHBondContact O-N 2.94Å; L743-V746 PolarHBondContact O-N 2.79Å; V746-S749 PolarHBondContact O-OG 2.91Å; V746-S749 VanDerWaalsContact O-OG 3.11Å; V746-G750 PolarHBondContact O-N 3.33Å
747L78.9Confident68.9Low109 Ų10997 Ų9757%0.57152%0.52SS*.Hα-helixtrans-67.6-43.4175.3-70.5178.1000112.2L743 V744 G750 V751L743-L747 HydrophobicContact CD2-CD1 3.62Å; L743-L747 HydrophobicContact CD2-CG 4.14Å; L743-L747 WeakPolarHBondContact O-CG 3.43Å; L743-L747 PolarHBondContact O-N 3.45Å; V744-L747 PolarHBondContact O-N 2.66Å; L747-G750 PolarHBondContact O-N 3.08Å; L747-V751 WeakPolarHBondContact O-CG2 3.34Å; L747-V751 PolarHBondContact O-N 3.34Å
748G74.8Confident69.1Low43 Ų4398.1 Ų98.144%0.44353%0.526SS..Hα-helixtrans-61.9-44.2178.400000113V744 V751 Y752V744-G748 PolarHBondContact O-N 3.27Å; G748-V751 PolarHBondContact O-N 3.01Å; G748-Y752 WeakPolarHBondContact O-CB 3.5Å; G748-Y752 PolarHBondContact O-N 3.18Å
749S67.3Low69Low56 Ų5698.8 Ų98.839%0.39253%0.526SS..Hα-helixtrans-67-36.3174.552.60000112.7I745 V746 Y752 I753I745-S749 WeakPolarHBondContact O-CB 3.18Å; I745-S749 PolarHBondContact O-N 2.03Å; I745-S749 PolarHBondContact O-OG 3.36Å; V746-S749 PolarHBondContact O-OG 2.91Å; V746-S749 VanDerWaalsContact O-OG 3.11Å; S749-Y752 PolarHBondContact O-N 3.35Å; S749-I753 VanDerWaalsContact O-CG1 3.29Å; S749-I753 WeakPolarHBondContact O-CG1 3.31Å; S749-I753 PolarHBondContact O-N 3.32Å
750G74.8Confident68.8Low38 Ų3896.3 Ų96.339%0.39253%0.531SS..Hα-helixtrans-60.4-46.1171.900000113.2V746 L747 I753 Y754V746-G750 PolarHBondContact O-N 3.33Å; L747-G750 PolarHBondContact O-N 3.08Å; G750-I753 PolarHBondContact O-N 3.45Å; G750-Y754 PolarHBondContact O-N 3.48Å
751V76.1Confident68.6Low89 Ų89100.6 Ų100.654%0.53954%0.542SS..Hα-helixtrans-64.7-39176.4172.30000111.5L747 G748 Y754 Y755L747-V751 WeakPolarHBondContact O-CG2 3.34Å; L747-V751 PolarHBondContact O-N 3.34Å; G748-V751 PolarHBondContact O-N 3.01Å; V751-Y754 PolarHBondContact O-N 2.8Å; V751-Y755 PolarHBondContact O-N 3.46Å
752Y68.8Low68Low157 Ų157101.3 Ų101.362%0.61656%0.555SS**Hα-helixtrans-64.3-41.7175.8-175.2-96.6000112.6G748 S749 Y754 Y755 T756G748-Y752 WeakPolarHBondContact O-CB 3.5Å; G748-Y752 PolarHBondContact O-N 3.18Å; S749-Y752 PolarHBondContact O-N 3.35Å; Y752-Y754 VanDerWaalsContact C-N 3.34Å; Y752-Y755 PolarHBondContact O-N 3.38Å; Y752-T756 HydrophobicContact CD1-CG2 4.4Å; Y752-T756 HydrophobicContact CE1-CG2 4.04Å; Y752-T756 WeakPolarHBondContact O-CG2 3.31Å; Y752-T756 PolarHBondContact O-N 2.03Å; Y752-T756 PolarHBondContact O-OG1 3.25Å
753I68.3Low67.2Low92 Ų92104.4 Ų104.447%0.47256%0.563SS.*Hα-helixtrans-66.7-36175.2-68.8166.2000111.2S749 G750 T756 K757S749-I753 VanDerWaalsContact O-CG1 3.29Å; S749-I753 WeakPolarHBondContact O-CG1 3.31Å; S749-I753 PolarHBondContact O-N 3.32Å; G750-I753 PolarHBondContact O-N 3.45Å; I753-T756 WeakPolarHBondContact CA-OG1 3.46Å; I753-T756 PolarHBondContact O-OG1 2.6Å; I753-K757 WeakPolarHBondContact O-CB 3.45Å; I753-K757 WeakPolarHBondContact O-CG 3.12Å; I753-K757 PolarHBondContact O-N 3.09Å; I753-K757 VanDerWaalsContact O-N 3.08Å
754Y73.5Confident65.7Low155 Ų155107.5 Ų107.561%0.60857%0.572SS**Hα-helixtrans-65-46.1173.9-177.9-102.9000112.3G750 V751 Y752 K757 L758G750-Y754 PolarHBondContact O-N 3.48Å; V751-Y754 PolarHBondContact O-N 2.8Å; Y752-Y754 VanDerWaalsContact C-N 3.34Å; Y754-K757 WeakPolarHBondContact O-CB 3.43Å; Y754-K757 PolarHBondContact O-N 3.08Å; Y754-L758 HydrophobicContact CD1-CD1 4.25Å; Y754-L758 HydrophobicContact CD2-CD1 4.44Å; Y754-L758 HydrophobicContact CE1-CD1 3.71Å; Y754-L758 HydrophobicContact CE2-CD1 3.92Å; Y754-L758 PolarHBondContact O-N 3.21Å
755Y64.6Low63.8Low144 Ų144106.5 Ų106.557%0.56558%0.582SS**Hα-helixtrans-65.5-42.1178.6-113.9-85.6000113V751 Y752 L758 Q759V751-Y755 PolarHBondContact O-N 3.46Å; Y752-Y755 PolarHBondContact O-N 3.38Å; Y755-L758 PolarHBondContact O-N 2.92Å; Y755-Q759 PolarHBondContact O-N 3.28Å
756T63.2Low62Low25 Ų25109 Ų10915%0.15359%0.589CS.*Hα-helixtrans-66.7-35.6177.246.90000112.3Y752 I753 Q759 G760Y752-T756 HydrophobicContact CD1-CG2 4.4Å; Y752-T756 HydrophobicContact CE1-CG2 4.04Å; Y752-T756 WeakPolarHBondContact O-CG2 3.31Å; Y752-T756 PolarHBondContact O-N 2.03Å; Y752-T756 PolarHBondContact O-OG1 3.25Å; I753-T756 WeakPolarHBondContact CA-OG1 3.46Å; I753-T756 PolarHBondContact O-OG1 2.6Å; T756-Q759 PolarHBondContact O-N 2.81Å; T756-G760 PolarHBondContact O-N 3.37Å
757K62.4Low60Low164 Ų164109.9 Ų109.971%0.71360%0.599SS**Hα-helixtrans-60.7-44.8167.9-90.5-81.1-175.71740112.8I753 Y754 Q759 G760I753-K757 WeakPolarHBondContact O-CB 3.45Å; I753-K757 WeakPolarHBondContact O-CG 3.12Å; I753-K757 PolarHBondContact O-N 3.09Å; I753-K757 VanDerWaalsContact O-N 3.08Å; Y754-K757 WeakPolarHBondContact O-CB 3.43Å; Y754-K757 PolarHBondContact O-N 3.08Å; K757-Q759 VanDerWaalsContact C-N 3.31Å; K757-Q759 PolarHBondContact O-N 3.34Å; K757-G760 PolarHBondContact O-N 2.96Å
758L63.4Low57.8Low122 Ų122108.3 Ų108.364%0.63961%0.61SS**Hα-helixtrans-67-30.7179.2-116.5100000113.1Y754 Y755 G760Y754-L758 HydrophobicContact CD1-CD1 4.25Å; Y754-L758 HydrophobicContact CD2-CD1 4.44Å; Y754-L758 HydrophobicContact CE1-CD1 3.71Å; Y754-L758 HydrophobicContact CE2-CD1 3.92Å; Y754-L758 PolarHBondContact O-N 3.21Å; Y755-L758 PolarHBondContact O-N 2.92Å; L758-G760 VanDerWaalsContact C-N 3.29Å; L758-G760 PolarHBondContact O-N 2.84Å
759Q56.5Low55.9Low128 Ų128111.3 Ų111.360%0.59862%0.624SS**THydrogen-bonded Turntrans-86.28.5177.9-68.9-173.1-10.100114.2Y755 T756 K757 K761Y755-Q759 PolarHBondContact O-N 3.28Å; T756-Q759 PolarHBondContact O-N 2.81Å; K757-Q759 VanDerWaalsContact C-N 3.31Å; K757-Q759 PolarHBondContact O-N 3.34Å; Q759-K761 VanDerWaalsContact C-N 3.28Å; Q759-K761 PolarHBondContact O-N 2.9Å
760G58.6Low54.2Low72 Ų72117 Ų11774%0.74264%0.644SS**THydrogen-bonded Turntrans66.819.9169.100000115.9T756 K757 L758T756-G760 PolarHBondContact O-N 3.37Å; K757-G760 PolarHBondContact O-N 2.96Å; L758-G760 VanDerWaalsContact C-N 3.29Å; L758-G760 PolarHBondContact O-N 2.84Å
761K57.7Low52.1Low163 Ų163120.3 Ų120.371%0.70966%0.661SS**PPolyproline II helixtrans-101.2132.7179.5-73.1179.6178.1176.70111.2Q759Q759-K761 VanDerWaalsContact C-N 3.28Å; Q759-K761 PolarHBondContact O-N 2.9Å
762S52Low49.9Very low113 Ų113127 Ų12779%0.7968%0.679SS**PPolyproline II helixtrans-72.2145.5-176.9-1640000112.2
763L52.1Low48.1Very low99 Ų99124.6 Ų124.652%0.51868%0.684SS.*SBendtrans-102.7131.2167.1-75.7157.5000108
764F42.5Very low47.3Very low173 Ų173125.4 Ų125.476%0.75970%0.696SS**  trans75120.8-172.2-67.8-83.7000117.9F766F764-F766 HydrophobicContact CD1-CD2 4.17Å; F764-F766 AromaticContact CD1-CE2 3.51Å; F764-F766 HydrophobicContact CD1-CE2 3.51Å; F764-F766 HydrophobicContact CD1-CZ 4.03Å; F764-F766 AromaticContact CE1-CE2 3.73Å; F764-F766 HydrophobicContact CE1-CE2 3.73Å; F764-F766 AromaticContact CE1-CZ 3.87Å; F764-F766 HydrophobicContact CE1-CZ 3.87Å
765G34.3Very low45.5Very low77 Ų77125.7 Ų125.779%0.79471%0.706SS**  trans-168.2118.8161.400000106.4
766F34.7Very low43.9Very low170 Ų170124.9 Ų124.975%0.74672%0.716SS**  trans-106.7148-169.1-86.2-71.7000112.9F764F764-F766 HydrophobicContact CD1-CD2 4.17Å; F764-F766 AromaticContact CD1-CE2 3.51Å; F764-F766 HydrophobicContact CD1-CE2 3.51Å; F764-F766 HydrophobicContact CD1-CZ 4.03Å; F764-F766 AromaticContact CE1-CE2 3.73Å; F764-F766 HydrophobicContact CE1-CE2 3.73Å; F764-F766 AromaticContact CE1-CZ 3.87Å; F764-F766 HydrophobicContact CE1-CZ 3.87Å
767S35.1Very low42.5Very low118 Ų118128.2 Ų128.283%0.82574%0.736SS**  trans32.8130.2144.7-48.70000120
768G33.6Very low41.1Very low77 Ų77126.5 Ų126.579%0.79473%0.731SS**  cis-162.1-164.82.500000109.2
769S34.4Very low39.6Very low106 Ų106125.7 Ų125.774%0.74174%0.735SS**  cis-155-170.513.556.80000110.5
770H31.9Very low38.4Very low174 Ų174126 Ų12681%0.80674%0.741SS**  trans75.663.5-178.6-66.3-84.7000118.1
771S29.9Very low37Very low109 Ų109131.3 Ų131.376%0.76274%0.744SS**  33.7125.3124.4-55.60000122.7
772Y29.9Very low35.7Very low230 Ų230129.2 Ų129.290%0.90275%0.75SS**  trans77.8101.7145.9-91-89.1000121.3
773S32.5Very low34.8Very low105 Ų105131.2 Ų131.273%0.73475%0.752SS**  trans-79.8168155.353.10000112.2
774P50.5Low35Very low110 Ų110131 Ų13171%0.71476%0.756SS**  trans-103.4-175.7-158.941.3-38.1000115.7
775I35.3Very low34.5Very low161 Ų161129.2 Ų129.283%0.82675%0.754SS**  trans77.3131.6170-58.5164.5000112.2
776T30.6Very low34.3Very low126 Ų126134.4 Ų134.477%0.77375%0.751SS**  cis-121.917527.756.70000116.4
777V35.1Very low34.3Very low95 Ų95134.3 Ų134.358%0.57675%0.753SS**  trans-56166.1151.8-111.10000111.3
778E32.1Very low34.3Very low129 Ų129133.5 Ų133.560%0.60375%0.753SS**  cis-154.4166.130.7-137.5100-137.900111R648R648-E778 IonicContact NH1-OE1 2.63Å; R648-E778 PolarHBondContact NH1-OE1 3.2Å
779S32.6Very low34.1Very low104 Ų104133.8 Ų133.873%0.72776%0.756SS**  trans57.7151.616631.10000119.9
780D31.7Very low34Very low136 Ų136135.1 Ų135.173%0.72776%0.755SS**  cis-156.3167.51.7-121.5-24.9000113.5
781F28.9Very low34.1Very low182 Ų182132.8 Ų132.880%0.79875%0.753SS**  trans37116.9157.6-84.4-105.8000121.2
782S31.2Very low34.3Very low119 Ų119137.3 Ų137.383%0.83275%0.754SS**  172.7131.9102.2-73.90000114.6
783N32.9Very low34.5Very low155 Ų155134.6 Ų134.683%0.82975%0.749SS**  trans-111.1166.4152.3-148.220000105.3
784P55.1Low34.5Very low94 Ų94140.1 Ų140.161%0.6176%0.756SS**  cis-142.4-160.810.133.1-6.9000115.3
785L32.1Very low34Very low136 Ų136143.4 Ų143.471%0.71276%0.761SS**  trans110.8143.2144.8-77.1157.3000120.8
786Y31.3Very low34Very low187 Ų187142.2 Ų142.273%0.73376%0.761SS**  trans60.8113.4178.9-67.5-80000117
787E33.8Very low34.3Very low167 Ų167140.9 Ų140.978%0.7876%0.757SS**  cis94.6147.430-169.8-175.8-111.100114
788A34.1Very low34.6Very low101 Ų101148.1 Ų148.184%0.83579%0.79SS**  trans75.6119.2175.500000117.4
789G29.4Very low34.7Very low83 Ų83149.1 Ų149.186%0.85680%0.799SS**  trans17847.4-178.600000112.9
790D33.7Very low34.8Very low134 Ų134151.5 Ų151.572%0.71780%0.803SS**  trans-72.3127178.7170.133.2000112
791T33.2Very low35Very low126 Ų126152.3 Ų152.377%0.77381%0.807SS**  -162.7107.8128.644.80000112.4
792R33.3Very low35.4Very low203 Ų203150.6 Ų150.677%0.76681%0.808SS**  trans47143130.9-65.2-174.9172.9-162.9-7.8123.5
793E36Very low35.6Very low174 Ų174152.6 Ų152.681%0.81381%0.807SS**  trans-63.1154.8169.4-53.5129.1141.300113.7
794Y32.4Very low35.8Very low221 Ų221152.4 Ų152.487%0.86781%0.805SS**  trans-134.7113150.6-75-80.7000109.7
795E39.6Very low34.4Very low179 Ų179156.6 Ų156.684%0.83682%0.819SS**  trans-90.6123.8171.2175.8-176.3-128.700109.1
796V35Very low34.6Very low135 Ų135158.2 Ų158.282%0.81883%0.827SS**  trans-143.8125.3162.7-1780000108.5
797S37.1Very low34.9Very low99 Ų99155.8 Ų155.869%0.69284%0.835SS**  trans-88.4140.4173-32.90000111.3
798I40.8Very low35Very low247 Ų247154.7 Ų154.7100%1.26784%0.84SS**  trans-164.10136.8-96152.8000106.8

Retrieved 798 of 798 residues in 178.4 ms (Link to these results)