A0A096NRJ2_PAPAN Loading...

Synaptotagmin-13

May be involved in transport vesicle docking to the plasma membrane.

AlphaFold DB , UniProt , Accession A0A096NRJ2, Species PAPAN (Papio anubis, Olive baboon), Gene SYT13, Length 426 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.8Very low41.7Very low240 Ų240139.3 Ų139.3100%1.18285%0.847SS**  0149.70-102.9175.415100108.1
2V37Very low42.4Very low136 Ų136135.3 Ų135.382%0.82484%0.839SS**  trans86.980.9-173.6-162.90000112.5
3L38Very low43.8Very low156 Ų156135.6 Ų135.682%0.81784%0.84SS**  81.8112.179.7-88.2156.4000114.6
4S33.9Very low44.2Very low102 Ų102139.2 Ų139.271%0.71385%0.85SS**  trans-49.2144.3168.245.70000115.9
5V42Very low44.6Very low134 Ų134134.2 Ų134.281%0.81284%0.837SS**  trans-113.2132.4162.71780000108
6P51.3Low45.2Very low110 Ų110133.6 Ų133.671%0.71483%0.832SS**PPolyproline II helixtrans-91.6138.4174.633.9-28000111.4
7V41.3Very low45.4Very low147 Ų147130.6 Ų130.689%0.89182%0.824SS**PPolyproline II helixtrans-80.9119.9171.6172.60000108.9
8I43.8Very low45.8Very low148 Ų148130.3 Ų130.376%0.75982%0.821SS**PPolyproline II helixtrans-82.7139.3176.2-68.6171.6000109.8
9A45.7Very low45.9Very low94 Ų94127.7 Ų127.778%0.77781%0.808SS**PPolyproline II helixtrans-59.9130.8175.400000113.7
10L44Very low46.3Very low179 Ų179127.8 Ų127.894%0.93780%0.8SS**  trans-143.8120.5161.9-87.9167.8000108.1
11G37Very low46.6Very low86 Ų86128.7 Ų128.789%0.88780%0.799SS**  trans166.638.2176.200000116.5
12A50.4Low47.1Very low91 Ų91120.5 Ų120.575%0.75277%0.769SS**  trans-118.6104.1165.800000108.2
13T59.5Low47.8Very low140 Ų140120.4 Ų120.486%0.85976%0.763SS**  trans168.276.3154.832.30000109.9
14L50Low48.5Very low186 Ų186117.2 Ų117.297%0.97475%0.753SS**  trans-156.545.4167.9-115.7139.7000111.9
15G50.2Low49.4Very low64 Ų64114.2 Ų114.266%0.6674%0.738SS**SBendtrans-130.28.8-16900000117.5
16T53.8Low50Low124 Ų124112.4 Ų112.476%0.76173%0.728SS**SBendtrans-133.50.6-173.952.50000116.3
17A48.8Very low50.2Low84 Ų84112 Ų11269%0.69472%0.723SS**SBendtrans-96.4-14.3-179.200000114.9
18T52.3Low50.7Low124 Ų124109.8 Ų109.876%0.76171%0.713SS**SBendtrans-93-13.4-176.645.40000114.5
19S48.8Very low51Low82 Ų82109.2 Ų109.257%0.57371%0.711SS**SBendtrans-82.8-25.8-177-165.80000113.8
20I53.1Low51.2Low128 Ų128109.3 Ų109.366%0.65670%0.704SS**Hα-helixtrans-83.3-24.9-173.2-60.7175.5000112.5
21L53.8Low51.3Low147 Ų147111.6 Ų111.677%0.7770%0.701SS**Hα-helixtrans-79-19.5177-79.2166.7000113.9
22A55.5Low51.9Low68 Ų68115 Ų11556%0.56269%0.693SS**Hα-helixtrans-79.8-26.717800000113.1
23L51Low51.5Low134 Ų134118.3 Ų118.370%0.70270%0.695SS**Hα-helixtrans-81.9-27.3-179.1-110.6108.7000113.9T27L23-T27 PolarHBondContact O-OG1 2.9Å
24C52.8Low50.8Low89 Ų89119.7 Ų119.760%0.60169%0.692SS**Hα-helixtrans-79.6-21.3177.9-78.40000114
25G52.9Low50.3Low39 Ų39116.7 Ų116.740%0.40268%0.683SS.*Hα-helixtrans-73.1-31.1178.200000114
26V54.8Low49.7Very low97 Ų97123.4 Ų123.459%0.58869%0.694SS**Hα-helixtrans-79.6-31.6-173.8-179.70000112.1C30V26-C30 PolarHBondContact O-N 3.39Å; V26-C30 PolarHBondContact O-SG 3.48Å
27T54.3Low48.9Very low101 Ų101127.9 Ų127.962%0.6270%0.703SS**Hα-helixtrans-75.1-24.4177.622.80000113.8L23L23-T27 PolarHBondContact O-OG1 2.9Å
28C52.3Low48.2Very low100 Ų100127.1 Ų127.168%0.67670%0.703SS**Hα-helixtrans-78.6-33.8176.4-112.90000112.9
29L50.9Low47.3Very low136 Ų136129.5 Ų129.571%0.71271%0.71SS**Hα-helixtrans-75.6-28178.5-91152.1000113.3R31L29-R31 VanDerWaalsContact C-N 3.32Å; L29-R31 PolarHBondContact O-N 3.37Å
30C49.7Very low46.7Very low96 Ų96133.2 Ų133.265%0.64972%0.723SS**THydrogen-bonded Turntrans-77.1-10.7177.6-68.10000114.8V26V26-C30 PolarHBondContact O-N 3.39Å; V26-C30 PolarHBondContact O-SG 3.48Å
31R45.4Very low46Very low227 Ų227132.9 Ų132.986%0.85773%0.729SS**THydrogen-bonded Turntrans-88.7-9.5174.6-84.8-172.8169.2177.5-1.6114.3L29L29-R31 VanDerWaalsContact C-N 3.32Å; L29-R31 PolarHBondContact O-N 3.37Å
32H49.4Very low44.8Very low158 Ų158136 Ų13673%0.73173%0.731SS**SBendtrans-103.36-170.9-132-75000115.5
33M42Very low43.7Very low160 Ų160138.3 Ų138.379%0.78873%0.733SS**  trans-133.853.4-177.6-69.1-66.7163.900113.3
34H44.6Very low42.8Very low170 Ų170141 Ų14179%0.78774%0.742SS**PPolyproline II helixtrans-101.8116.9158.3-92.5-75.4000109.4
35P39.1Very low42.2Very low122 Ų122143.6 Ų143.679%0.79275%0.75SS**PPolyproline II helixtrans-74.5128.4170.228.3-28.9000109.9
36K38.3Very low41.5Very low206 Ų206147.8 Ų147.890%0.89677%0.77SS**PPolyproline II helixtrans-65.9133.2178.9-70176.2175.6177.50111
37K37.2Very low40.5Very low218 Ų218150.6 Ų150.695%0.94878%0.782SS**PPolyproline II helixtrans-67.2132.9157-79.2175.9173.3177.80109.3
38G33.6Very low39.9Very low67 Ų67150.7 Ų150.769%0.69178%0.784SS**  trans-162.8105.8163.900000107.3
39L33.6Very low39.1Very low174 Ų174154.6 Ų154.691%0.91179%0.793SS**  86111.693.1-159.674.4000111.7
40L35.7Very low38.4Very low160 Ų160157.9 Ų157.984%0.83880%0.801SS**  trans-56.8162.1171.8-82.9156.6000112.7
41P38.8Very low37.6Very low122 Ų122158.1 Ų158.179%0.79281%0.81SS**  -133.1152.7109.235.1-23.9000115.5
42R29.6Very low37.1Very low213 Ų213157.1 Ų157.180%0.80481%0.812SS**  trans-31.8156.1153.8-97.7174.3118.5153.66.1114.2
43D30.9Very low36.6Very low115 Ų115154.8 Ų154.862%0.61581%0.811SS**  cis-156.5151.532.7-94.7-42.6000109.9
44Q33.6Very low36.2Very low191 Ų191151.9 Ų151.989%0.89381%0.807SS**  -175.3118.3126.8-103174.229.900109.9
45D38.5Very low35.8Very low144 Ų144152.3 Ų152.377%0.7781%0.814SS**  trans-61.2158.6172.7-76.7-48.4000112.4
46P38.3Very low35.8Very low127 Ų127154.8 Ų154.883%0.82582%0.82SS**  -134.4145.5108.134.9-23.2000115.4
47D35.4Very low35.7Very low155 Ų155148.5 Ų148.583%0.82981%0.813SS**  trans-14.5145.7167.9-138.49.2000120.7
48P41.5Very low35.8Very low103 Ų103143 Ų14367%0.66980%0.802SS**  trans-109.2124.3-176.236.1-20.7000113.3
49E35Very low36.3Very low182 Ų182144.9 Ų144.985%0.8581%0.811SS**  trans-150.6103.8158.7-86.4-153.8145.700112.5
50K35.5Very low36.7Very low205 Ų205143.7 Ų143.789%0.89180%0.801SS**  156.392.1128.7-88.7173.6-179.9170.90110.3
51A32.7Very low37.2Very low102 Ų102144.1 Ų144.184%0.84380%0.798SS**  trans-89127.1154.800000109.1
52K35.7Very low37.4Very low205 Ų205146.1 Ų146.189%0.89180%0.795SS**  trans-145.7151.5147.2-91.9-168.4-176.6176.70109.3
53P39Very low38.2Very low109 Ų109142.8 Ų142.871%0.70879%0.793SS**  trans-106.9158.1-132.338.7-34.4000115
54S34.2Very low39.1Very low100 Ų100142.9 Ų142.970%0.69980%0.797SS**  trans8.7123.2149.559.20000119.2
55L36Very low40.2Very low178 Ų178143.5 Ų143.593%0.93280%0.797SS**  trans-123.1113141.3-77.4176.2000109.6G57L55-G57 PolarHBondContact O-N 2.89Å
56L39.3Very low40.8Very low175 Ų175145.9 Ų145.992%0.91680%0.801SS**  trans-62.3111.9171.4-140.7101.4000108.5
57G36.3Very low41.6Very low73 Ų73144.3 Ų144.375%0.75379%0.793SS**  trans-104.4113167.600000109.1L55L55-G57 PolarHBondContact O-N 2.89Å
58S39.5Very low42.6Very low104 Ų104143.7 Ų143.773%0.72780%0.795SS**  trans-46.7132.2-179.753.50000113.5Q60S58-Q60 PolarHBondContact O-N 3.41Å
59A43.9Very low43.4Very low106 Ų106146 Ų14688%0.87680%0.797SS**  trans-63.3100.4164.900000109.2Q61A59-Q61 PolarHBondContact O-N 2.71Å
60Q41.5Very low43.9Very low149 Ų149143.2 Ų143.270%0.69679%0.794SS**  trans-72.3107.4171.8-166.8164.64.700108S58 F62S58-Q60 PolarHBondContact O-N 3.41Å; Q60-F62 HydrophobicContact CB-CE2 4.19Å; Q60-F62 HydrophobicContact CG-CE2 4.31Å; Q60-F62 VanDerWaalsContact O-CD2 3.29Å; Q60-F62 WeakPolarHBondContact O-CD2 3.43Å; Q60-F62 PolarHBondContact O-N 2.96Å
61Q45.8Very low44.8Very low168 Ų168139.9 Ų139.979%0.78579%0.791SS**  trans-65.599174.5-174175.8500109.1A59 N63A59-Q61 PolarHBondContact O-N 2.71Å; Q61-N63 PolarHBondContact O-N 3.27Å
62F42.3Very low46.1Very low165 Ų165143 Ų14372%0.72479%0.788SS**  trans-75.1105.9170-75.5-87.3000109.1Q60 V64Q60-F62 HydrophobicContact CB-CE2 4.19Å; Q60-F62 HydrophobicContact CG-CE2 4.31Å; Q60-F62 VanDerWaalsContact O-CD2 3.29Å; Q60-F62 WeakPolarHBondContact O-CD2 3.43Å; Q60-F62 PolarHBondContact O-N 2.96Å; F62-V64 PolarHBondContact O-N 3.05Å; F62-V64 VanDerWaalsContact O-N 3.17Å
63N47.4Very low46.7Very low143 Ų143139 Ų13977%0.76578%0.783SS**  trans-74.498.3166.4-108-49000108.8Q61 K65Q61-N63 PolarHBondContact O-N 3.27Å; N63-K65 PolarHBondContact O-N 2.94Å
64V50Low47.4Very low116 Ų116145.4 Ų145.470%0.70379%0.793SS**  trans-83.6104170.7-179.70000108.2F62 K66F62-V64 PolarHBondContact O-N 3.05Å; F62-V64 VanDerWaalsContact O-N 3.17Å; V64-K66 PolarHBondContact O-N 2.85Å
65K55.6Low48Very low204 Ų204144.6 Ų144.689%0.88779%0.792SS**  trans-71107.5163-87.1-178.2175.4179.10108.2N63 S67N63-K65 PolarHBondContact O-N 2.94Å; K65-S67 PolarHBondContact O-N 3.29Å
66K52.1Low49Very low194 Ų194144 Ų14484%0.84379%0.789SS**  trans-72.8112.2167.8-76.9-177.4175.61780108.8V64V64-K66 PolarHBondContact O-N 2.85Å
67S55.4Low49.6Very low94 Ų94141.7 Ų141.766%0.65778%0.777SS**  trans-86.5136.9162.5-178.10000109K65K65-S67 PolarHBondContact O-N 3.29Å
68T56.6Low50.5Low142 Ų142147.6 Ų147.687%0.87178%0.782SS**  trans-104.725.317848.30000112.6
69E58.4Low51.1Low153 Ų153150.9 Ų150.972%0.71578%0.783SS**  trans-84.1132.3173.3-70.2-173.7170.200111.1V71E69-V71 PolarHBondContact O-N 3.45Å
70P44.1Very low51.6Low122 Ų122151.5 Ų151.579%0.79278%0.778SS**  trans-68.8101.6177.526.9-31.5000109.9Q72P70-Q72 PolarHBondContact O-N 2.84Å
71V55.8Low52.1Low135 Ų135152.1 Ų152.182%0.81879%0.787SS**  trans-75.494.3170-177.70000108E69 P73E69-V71 PolarHBondContact O-N 3.45Å; V71-P73 VanDerWaalsContact O-CD 3.29Å; V71-P73 WeakPolarHBondContact O-CD 3.48Å
72Q58.7Low52.3Low168 Ų168151.7 Ų151.779%0.78579%0.788SS**  trans-79.3115.8166.9-79.9-170.5-19.700109.4P70 R74P70-Q72 PolarHBondContact O-N 2.84Å; Q72-R74 PolarHBondContact O-N 2.87Å
73P49.9Very low52.3Low121 Ų121154.9 Ų154.979%0.78680%0.797SS**  trans-68.7116.3166.827.6-30.6000108.5V71 A75V71-P73 VanDerWaalsContact O-CD 3.29Å; V71-P73 WeakPolarHBondContact O-CD 3.48Å; P73-A75 PolarHBondContact O-N 2.75Å; P73-A75 VanDerWaalsContact O-N 3.16Å
74R53.8Low52.4Low243 Ų243150.6 Ų150.692%0.91779%0.786SS**  trans-68.9109.1168.4-76.9-176.3175.4-179.7-1.3108.4Q72 L76Q72-R74 PolarHBondContact O-N 2.87Å; R74-L76 PolarHBondContact O-N 2.93Å
75A45.7Very low52.1Low83 Ų83151.3 Ų151.369%0.68679%0.794SS**  trans-69.5109.1167.300000108.9P73 L77P73-A75 PolarHBondContact O-N 2.75Å; P73-A75 VanDerWaalsContact O-N 3.16Å; A75-L77 HydrophobicContact CB-CD1 4.47Å; A75-L77 HydrophobicContact CB-CG 4.39Å; A75-L77 PolarHBondContact O-N 2.66Å
76L56.4Low51.4Low167 Ų167153 Ų15387%0.87479%0.794SS**  trans-7778.8164.3-96.7161.2000108.4R74R74-L76 PolarHBondContact O-N 2.93Å
77L53Low50.9Low125 Ų125149.4 Ų149.465%0.65479%0.791SS**  trans-86.3107.2166.1-74.7166.7000108.2A75 F79A75-L77 HydrophobicContact CB-CD1 4.47Å; A75-L77 HydrophobicContact CB-CG 4.39Å; A75-L77 PolarHBondContact O-N 2.66Å; L77-F79 HydrophobicContact CB-CE2 4.18Å; L77-F79 HydrophobicContact CB-CZ 4.41Å; L77-F79 PolarHBondContact O-N 3.28Å
78K54.2Low50Low198 Ų198149.5 Ų149.586%0.86180%0.797SS**  trans-77.9110.1160.8-73.2-173.5177.8-1770107.3
79F52.3Low49.1Very low172 Ų172149.2 Ų149.275%0.75480%0.795SS**PPolyproline II helixtrans-76.2132.4169.6-66.9-86.7000109.1L77L77-F79 HydrophobicContact CB-CE2 4.18Å; L77-F79 HydrophobicContact CB-CZ 4.41Å; L77-F79 PolarHBondContact O-N 3.28Å
80P55Low48Very low119 Ų119148.5 Ų148.577%0.77380%0.801SS**PPolyproline II helixtrans-71.4146.8162.128.4-29.3000110I82P80-I82 PolarHBondContact O-N 3.32Å
81D52.7Low47.5Very low163 Ų163146.6 Ų146.687%0.87280%0.796SS**PPolyproline II helixtrans-48.8128.2-173.7-76.1-47.1000113.7Y83D81-Y83 PolarHBondContact O-N 2.9Å
82I48.2Very low46.6Very low159 Ų159146.1 Ų146.182%0.81580%0.796SS**PPolyproline II helixtrans-72117.2172.1-62171.3000107.6P80 G84P80-I82 PolarHBondContact O-N 3.32Å; I82-G84 PolarHBondContact O-N 2.83Å
83Y43.2Very low45.4Very low232 Ų232146.9 Ų146.991%0.9180%0.799SS**  trans-60.9104.4163.5-98.5-100.1000109.1D81D81-Y83 PolarHBondContact O-N 2.9Å
84G49.9Very low44.6Very low52 Ų52147.4 Ų147.454%0.53680%0.8SS.*PPolyproline II helixtrans-76.8147.3164.700000110.8I82 R86I82-G84 PolarHBondContact O-N 2.83Å; G84-R86 PolarHBondContact O-N 2.79Å
85P42.7Very low43.8Very low132 Ų132143 Ų14386%0.85779%0.793SS**PPolyproline II helixtrans-64.6125.6175.226.2-31.2000109.9
86R40.6Very low43Very low238 Ų238146 Ų14690%0.89880%0.798SS**PPolyproline II helixtrans-66.8132.5171.5-84.3-178.1175.4173.9-1.7109.6G84 A88G84-R86 PolarHBondContact O-N 2.79Å; R86-A88 PolarHBondContact O-N 3.45Å
87P41.7Very low41.8Very low119 Ų119148 Ų14877%0.77380%0.795SS**PPolyproline II helixtrans-65.1127.4170.624.1-29.3000110.1V89P87-V89 PolarHBondContact O-N 2.85Å
88A37.6Very low40.7Very low96 Ų96145.9 Ų145.979%0.79380%0.795SS**  trans-69.8112.4172.400000109R86 T90R86-A88 PolarHBondContact O-N 3.45Å; A88-T90 PolarHBondContact O-N 3.25Å
89V36.8Very low39.6Very low136 Ų136143.4 Ų143.482%0.82479%0.791SS**  trans-75.5108.7169.51760000107.5P87P87-V89 PolarHBondContact O-N 2.85Å
90T35.8Very low38.6Very low138 Ų138146 Ų14685%0.84780%0.798SS**  trans-77.6110.1162.338.10000109.2A88A88-T90 PolarHBondContact O-N 3.25Å
91A33.2Very low37.3Very low83 Ų83144.9 Ų144.969%0.68679%0.793SS**  trans-127.2127.1158.900000107.7
92P36.8Very low36.2Very low124 Ų124144.3 Ų144.381%0.80579%0.789SS**  trans-93108.4175.733.1-25000109.4
93E33.2Very low35.2Very low184 Ų184147.8 Ų147.886%0.8679%0.792SS**  trans-12594.8160.1-84.2-172.2159.100108
94V34.1Very low34.5Very low133 Ų133141.8 Ų141.881%0.80678%0.784SS**  trans-100.1103.5168.6175.60000106.6N96V94-N96 HydrophobicContact CG1-CB 4.5Å
95I36.1Very low33.5Very low150 Ų150145.4 Ų145.477%0.76980%0.795SS**  trans-85.7109.2162.2-63.2173.4000106.1
96N28.7Very low32.9Very low146 Ų146147.7 Ų147.778%0.78180%0.795SS**PPolyproline II helixtrans-98126.9174.4-159.710.7000108.6V94V94-N96 HydrophobicContact CG1-CB 4.5Å
97Y32.1Very low32.2Very low210 Ų210144.3 Ų144.382%0.82479%0.789SS**PPolyproline II helixtrans-89.3139.1164.2-93.2-89.7000109.1
98A30.7Very low32.3Very low80 Ų80143.7 Ų143.766%0.66179%0.785SS**PPolyproline II helixtrans-54.1162.2175.600000112.4
99D29.4Very low31.8Very low145 Ų145144.9 Ų144.978%0.77578%0.783SS**  cis-162.4146.833.2-98.7-54.9000107.9
100Y31.4Very low31.3Very low228 Ų228142.3 Ų142.389%0.89478%0.776SS**  168125.8123.2-99.9-80.8000110.1
101S28.8Very low31.8Very low95 Ų95141.6 Ų141.666%0.66477%0.773SS**  trans-68.8150.8-172.348.80000116.2
102L30.3Very low31.6Very low150 Ų150142.5 Ų142.579%0.78578%0.781SS**  178.4120.7111.1-93.8159.5000112.7
103R27.2Very low31.1Very low233 Ų233141.8 Ų141.888%0.87978%0.779SS**  trans22.6147.6138.5-66.2-179.2176.8-177.8-1.4119.2
104S27.5Very low31.5Very low106 Ų106138.2 Ų138.274%0.74177%0.772SS**  cis-165.7156.94.756.60000104.6
105T28.9Very low31.1Very low127 Ų127140.5 Ų140.578%0.77977%0.773SS**  175.7153.769.2-61.70000106.2
106E29.8Very low31.3Very low181 Ų181138.4 Ų138.485%0.84677%0.77SS**  trans-71.3154.4-160.5-62.4162.2138.200117.8
107E27Very low31.9Very low166 Ų166136.9 Ų136.978%0.77677%0.768SS**  trans-40.5174.7144.8-131.3-168.1117.100113.7
108P42.3Very low31.8Very low107 Ų107134.8 Ų134.870%0.69577%0.771SS**  -152-17664.538.8-13.9000112.2
109T28.6Very low31.7Very low120 Ų120138 Ų13874%0.73678%0.777SS**  cis-169.8154.122.2-26.50000108.4
110A26.2Very low31.6Very low82 Ų82136.1 Ų136.168%0.67878%0.775SS**  trans-74.8-155.916900000112.9
111P44.8Very low31.5Very low123 Ų123136.2 Ų136.280%0.79977%0.774SS**  cis-140.3-173.3-21.529.2-5.2000114.8
112A30.6Very low31.7Very low102 Ų102139.8 Ų139.884%0.84378%0.784SS**  trans104.4137.3143.500000122.5
113S26.4Very low31.4Very low110 Ų110142 Ų14277%0.76979%0.788SS**  trans-87.8-167.1-174.255.40000115.2
114P39.9Very low31.6Very low108 Ų108142.4 Ų142.470%0.70179%0.789SS**  cis-137.4160-35.127.3-4.2000118
115Q27.3Very low31.5Very low181 Ų181145 Ų14585%0.84679%0.79SS**  trans64.6161.9148.2-61.5-122.6-42.800123.5
116P39.7Very low31.6Very low107 Ų107144.6 Ų144.670%0.69579%0.787SS**  cis-133.1-147.8-34.934.3-10.5000112
117P41.3Very low31.2Very low113 Ų113141.1 Ų141.173%0.73478%0.778SS**  -110.4155.5-78.236.6-21.3000114.2
118N29.8Very low31.5Very low166 Ų166141.2 Ų141.289%0.88878%0.779SS**  trans-172.6157.8145.2-115.6-19.4000113.8
119D28.1Very low30.7Very low147 Ų147143.9 Ų143.979%0.78678%0.782SS**  trans-68.7156-154.9-89-42.4000120.3
120S28Very low30.6Very low106 Ų106144.8 Ų144.874%0.74178%0.782SS**  trans86.199.9147.776.40000120.1
121R29.3Very low30.7Very low231 Ų231151.3 Ų151.387%0.87280%0.795SS**  166.4145.3108.9-97.1177.3167.1-179-3.3112.2
122L31.9Very low29.9Very low169 Ų169152.8 Ų152.889%0.88579%0.794SS**  trans69.690.6162.9-66.3154.7000116.6
123K24.7Very low29.9Very low196 Ų196155.9 Ų155.985%0.85280%0.796SS**  trans-111.8112.2152.5-82.6-173.3177.9179.70109.9
124R32.6Very low30Very low243 Ų243156.5 Ų156.592%0.91780%0.797SS**  trans-74.8118.9154.1171.7176.9156.3166.9-5107.2
125Q24.8Very low29.8Very low160 Ų160159.9 Ų159.975%0.74880%0.804SS**  trans-137.3108.7165.2-125.2172.9-24.200102.7
126V30Very low30.3Very low118 Ų118159.1 Ų159.172%0.71581%0.806SS**  24.6107.290.6-170.60000110.3
127T22.8Very low29.8Very low109 Ų109157.4 Ų157.467%0.66981%0.807SS**  -165.8148.1101.3-50.40000107.9
128E32.5Very low29.4Very low168 Ų168158.7 Ų158.779%0.78581%0.813SS**  trans-9.6139.4159.9-52.9177.3150.300116.1
129E26.1Very low29.3Very low162 Ų162157 Ų15776%0.75781%0.808SS**  -178.5142.2105.7-98.1-172.5-179.100112.2
130L25.5Very low29.4Very low140 Ų140158.3 Ų158.373%0.73381%0.809SS**  trans65.5115.8140.5-64.2164.3000119.4I132L130-I132 PolarHBondContact O-N 3.01Å; L130-I132 VanDerWaalsContact O-N 3.15Å
131F28.5Very low29.4Very low219 Ų219159.9 Ų159.996%0.96181%0.81SS**  trans-55.7108.4159.4-75.3-96000111.2
132I27.5Very low29.3Very low153 Ų153154.8 Ų154.879%0.78580%0.804SS**  trans-125.3122151.8-60-177.2000106.8L130 P134L130-I132 PolarHBondContact O-N 3.01Å; L130-I132 VanDerWaalsContact O-N 3.15Å; I132-P134 WeakPolarHBondContact O-CD 3.44Å
133L31.7Very low29.2Very low168 Ų168151 Ų15188%0.8879%0.791SS**PPolyproline II helixtrans-62.9128.9173.4-71.1161.6000110.4
134P27Very low29.3Very low122 Ų122148 Ų14879%0.79279%0.788SS**PPolyproline II helixtrans-95.6130.1155.116.71.6000110I132I132-P134 WeakPolarHBondContact O-CD 3.44Å
135Q37.1Very low29.2Very low179 Ų179144.4 Ų144.484%0.83678%0.784SS**PPolyproline II helixtrans-68.1147.6165.6-67.4175.9-9.300110.4
136N37.5Very low29.5Very low166 Ų166145.3 Ų145.389%0.88879%0.788SS**  trans67.5112.8165.6-68-13.9000118.3
137G28.9Very low29.5Very low71 Ų71146.2 Ų146.273%0.73279%0.794SS**  trans170.3118.1162.200000112.1
138V32.2Very low30Very low140 Ų140150.1 Ų150.185%0.84880%0.797SS**  trans-37.2128.4179.1175.70000114.1
139V29.6Very low30Very low131 Ų131145.6 Ų145.679%0.79478%0.778SS**  trans-84.5108.4169.2-177.10000108.1
140E29.3Very low30.4Very low173 Ų173142.1 Ų142.181%0.80877%0.77SS**  trans-77.4116.1159-78.1-170.4155.300108.5V142E140-V142 PolarHBondContact O-N 2.94Å
141D28.1Very low30.8Very low140 Ų140142.7 Ų142.775%0.74977%0.768SS**  trans-79.397.5177.3-161.711.5000108.6C143D141-C143 PolarHBondContact O-N 3.43Å
142V27.6Very low31Very low123 Ų123138.8 Ų138.875%0.74575%0.751SS**  trans-75.882.4169.4-179.90000107.8E140 V144E140-V142 PolarHBondContact O-N 2.94Å; V142-V144 PolarHBondContact O-N 3.23Å
143C28.6Very low31.4Very low91 Ų91132.8 Ų132.862%0.61572%0.724SS**  trans-67.3111162-87.90000108.7D141 M145D141-C143 PolarHBondContact O-N 3.43Å; C143-M145 PolarHBondContact O-N 3.24Å
144V27.1Very low31.4Very low131 Ų131127.8 Ų127.879%0.79471%0.707SS**  trans-67.689.1160.2-178.90000106.8V142 E146V142-V144 PolarHBondContact O-N 3.23Å; V144-E146 PolarHBondContact O-N 3.04Å
145M30.6Very low31.7Very low169 Ų169124.4 Ų124.483%0.83369%0.687SS**  trans-68.6105.8163.6-101.5-173.4170.100107.1C143 T147C143-M145 PolarHBondContact O-N 3.24Å; M145-T147 PolarHBondContact O-N 2.79Å
146E31.2Very low31.7Very low179 Ų179121.6 Ų121.684%0.83667%0.668SS**  trans-56.9121.1153.5-74.9-172.315800107.3V144 W148V144-E146 PolarHBondContact O-N 3.04Å; E146-W148 PolarHBondContact O-N 3.4Å
147T30.6Very low32.1Very low137 Ų137120 Ų12084%0.8466%0.66SS**  trans-55113.3-176.9-28.10000109.5M145 N149M145-T147 PolarHBondContact O-N 2.79Å; T147-N149 PolarHBondContact O-N 2.88Å
148W31.9Very low33.4Very low190 Ų190121.6 Ų121.672%0.7265%0.648SS**  trans-58.6105179-178.4-90.6000109.9E146 P150 A153 W156E146-W148 PolarHBondContact O-N 3.4Å; W148-P150 WeakPolarHBondContact O-CD 3.36Å; W148-A153 HydrophobicContact CZ2-CB 4.39Å; W148-W156 HydrophobicContact CH2-CH2 4.16Å; W148-W156 AromaticContact CH2-CZ3 3.88Å; W148-W156 HydrophobicContact CH2-CZ3 3.88Å; W148-W156 HydrophobicContact CZ2-CZ3 4.44Å; W148-W156 HydrophobicContact CZ3-CH2 4.24Å; W148-W156 HydrophobicContact CZ3-CZ3 4.4Å
149N32.7Very low34.9Very low74 Ų74116.4 Ų116.440%0.39662%0.62SS.*  trans-91.7111.1176.2-167-0.4000109.4T147 E151 K152T147-N149 PolarHBondContact O-N 2.88Å; N149-E151 PolarHBondContact O-N 2.91Å; N149-E151 VanDerWaalsContact O-N 3.12Å; N149-K152 PolarHBondContact O-N 2.8Å
150P35.3Very low37.4Very low89 Ų89110.8 Ų110.858%0.57859%0.586SS**Hα-helixtrans-59.7-22.1-177.321.6-32.3000114W148 A153 A154W148-P150 WeakPolarHBondContact O-CD 3.36Å; P150-A153 PolarHBondContact O-N 3.48Å; P150-A154 PolarHBondContact O-N 2.95Å
151E34.4Very low40.3Very low151 Ų151106.5 Ų106.571%0.70657%0.565SS**Hα-helixtrans-70.4-31175.4-63-178.515900113N149 A153 A154N149-E151 PolarHBondContact O-N 2.91Å; N149-E151 VanDerWaalsContact O-N 3.12Å; E151-A153 VanDerWaalsContact C-N 3.34Å; E151-A154 PolarHBondContact O-N 3.08Å
152K32.4Very low43.3Very low138 Ų13899.8 Ų99.860%0.653%0.529SS*.Hα-helixtrans-71.4-30.9173.3-76.9-176.6177.1177.80111.6N149 A154 S155 W156N149-K152 PolarHBondContact O-N 2.8Å; K152-A154 VanDerWaalsContact C-N 3.32Å; K152-S155 PolarHBondContact O-N 2.89Å; K152-S155 PolarHBondContact O-OG 2.87Å; K152-W156 HydrophobicContact CB-CZ2 4.49Å; K152-W156 VanDerWaalsContact O-CE2 3.29Å; K152-W156 PolarHBondContact O-NE1 2.78Å
153A34.8Very low46.4Very low26 Ų2695.6 Ų95.622%0.21550%0.501CS..Hα-helixtrans-71.3-28.2176.700000112.7W148 P150 E151 S155 W156W148-A153 HydrophobicContact CZ2-CB 4.39Å; P150-A153 PolarHBondContact O-N 3.48Å; E151-A153 VanDerWaalsContact C-N 3.34Å; A153-S155 VanDerWaalsContact C-N 3.34Å; A153-W156 HydrophobicContact CB-CE3 4.02Å; A153-W156 HydrophobicContact CB-CZ3 3.99Å; A153-W156 PolarHBondContact O-N 2.91Å
154A32.7Very low49.5Very low63 Ų6391.5 Ų91.552%0.52147%0.473SS..Hα-helixtrans-72-24.5175.100000113.3P150 E151 K152 W156P150-A154 PolarHBondContact O-N 2.95Å; E151-A154 PolarHBondContact O-N 3.08Å; K152-A154 VanDerWaalsContact C-N 3.32Å; A154-W156 VanDerWaalsContact C-N 3.3Å
155S33.5Very low52.6Low52 Ų5285.7 Ų85.736%0.36444%0.438SS..G310 helixtrans-79.1-12.4176.175.80000113.5K152 A153 N157K152-S155 PolarHBondContact O-N 2.89Å; K152-S155 PolarHBondContact O-OG 2.87Å; A153-S155 VanDerWaalsContact C-N 3.34Å; S155-N157 VanDerWaalsContact C-N 3.29Å; S155-N157 PolarHBondContact O-N 2.83Å
156W36.9Very low55.6Low119 Ų11977.7 Ų77.745%0.45140%0.398SS..G310 helixtrans-78-9.4-178.5-60.1-15.8000114.3W148 K152 A153 A154W148-W156 HydrophobicContact CH2-CH2 4.16Å; W148-W156 AromaticContact CH2-CZ3 3.88Å; W148-W156 HydrophobicContact CH2-CZ3 3.88Å; W148-W156 HydrophobicContact CZ2-CZ3 4.44Å; W148-W156 HydrophobicContact CZ3-CH2 4.24Å; W148-W156 HydrophobicContact CZ3-CZ3 4.4Å; K152-W156 HydrophobicContact CB-CZ2 4.49Å; K152-W156 VanDerWaalsContact O-CE2 3.29Å; K152-W156 PolarHBondContact O-NE1 2.78Å; A153-W156 HydrophobicContact CB-CE3 4.02Å; A153-W156 HydrophobicContact CB-CZ3 3.99Å; A153-W156 PolarHBondContact O-N 2.91Å; A154-W156 VanDerWaalsContact C-N 3.3Å
157N45.2Very low58.4Low132 Ų13272.1 Ų72.171%0.70637%0.374SS*.G310 helixtrans-114.69.9-178.4-66-32.1000113.6S155 A159S155-N157 VanDerWaalsContact C-N 3.29Å; S155-N157 PolarHBondContact O-N 2.83Å; N157-A159 PolarHBondContact O-N 2.86Å
158Q56.1Low61.3Low106 Ų10667.3 Ų67.350%0.49534%0.341SS..PPolyproline II helixtrans-79.1119.4177.8-65-175.413.300108.8
159A65.4Low64.1Low30 Ų3060.3 Ų60.325%0.24832%0.318CS..PPolyproline II helixtrans-55.7141.8168.800000108.4N157 K161 E276N157-A159 PolarHBondContact O-N 2.86Å; A159-K161 PolarHBondContact O-N 3.36Å; A159-E276 HydrophobicContact CB-CG 3.75Å; A159-E276 WeakPolarHBondContact CB-OE1 3.29Å
160P81.6Confident66.7Low13 Ų1365.4 Ų65.48%0.08433%0.332CS..PPolyproline II helixtrans-61138.6-177.624.3-27.8000108.9V183 T184 L277 T279P160-V183 CarbonylContact C-O 3.31Å; P160-V183 VanDerWaalsContact CA-O 3.22Å; P160-V183 WeakPolarHBondContact CA-O 3.46Å; P160-T184 HydrophobicContact CB-CG2 4.16Å; P160-L277 HydrophobicContact CB-CD1 4.12Å; P160-L277 HydrophobicContact CG-CB 4.11Å; P160-L277 HydrophobicContact CG-CD1 4.25Å; P160-L277 WeakPolarHBondContact O-CA 3.22Å; P160-L277 WeakPolarHBondContact O-CB 3.42Å; P160-L277 WeakPolarHBondContact O-CG 3.4Å; P160-L277 PolarHBondContact O-N 3.28Å; P160-T279 VanDerWaalsContact CD-CG2 3.49Å; P160-T279 HydrophobicContact CG-CG2 3.84Å
161K89.6Confident69.3Low83 Ų8370.1 Ų70.136%0.36135%0.346SS..EExtended strand (participates in β ladder)trans-110.6144.2-179.6-60.5-176.5179.6178.90109.1A159 A182 V183 W274 G275A159-K161 PolarHBondContact O-N 3.36Å; K161-A182 CarbonylContact O-C 3.5Å; K161-A182 WeakPolarHBondContact O-CA 3.27Å; K161-V183 PolarHBondContact N-O 3.47Å; K161-V183 PolarHBondContact O-N 2.95Å; K161-W274 HydrophobicContact CB-CE3 3.71Å; K161-W274 HydrophobicContact CB-CZ3 3.94Å; K161-G275 CarbonylContact C-O 3.56Å; K161-G275 WeakPolarHBondContact CA-O 3.4Å
162L92Very high71.8Confident0 Ų069.2 Ų69.20%034%0.339CS..EExtended strand (participates in β ladder)trans-121121.6175-175.668.1000108.6Y164 L180 E181 A182 V195 L241 G275 L277L162-Y164 WeakPolarHBondContact O-CD1 3.4Å; L162-L180 HydrophobicContact CD1-CD2 4.4Å; L162-E181 CarbonylContact C-O 3.52Å; L162-E181 WeakPolarHBondContact CA-O 3.27Å; L162-A182 HydrophobicContact CD1-CB 4.11Å; L162-V195 HydrophobicContact CD1-CG2 4Å; L162-V195 HydrophobicContact CD2-CG1 4.2Å; L162-L241 HydrophobicContact CD2-CB 3.8Å; L162-L241 HydrophobicContact CD2-CD1 3.87Å; L162-L241 HydrophobicContact CD2-CG 4.44Å; L162-G275 PolarHBondContact N-O 2.86Å; L162-G275 PolarHBondContact O-N 3.45Å; L162-L277 HydrophobicContact CB-CD1 4.16Å; L162-L277 HydrophobicContact CB-CD2 3.65Å; L162-L277 HydrophobicContact CB-CG 3.9Å; L162-L277 HydrophobicContact CD2-CD2 4.05Å; L162-L277 HydrophobicContact CG-CD2 4.49Å
163H92.8Very high74.6Confident34 Ų3464.4 Ų64.416%0.15733%0.325CS..EExtended strand (participates in β ladder)trans-85.5135.5165.7-169.2-123.6000108.8C179 L180 E181 Q273 W274H163-C179 CarbonylContact C-O 3.58Å; H163-C179 PolarHBondContact ND1-O 3.4Å; H163-C179 VanDerWaalsContact O-O 3.04Å; H163-L180 WeakPolarHBondContact O-CA 3.47Å; H163-E181 HydrophobicContact CB-CB 3.97Å; H163-E181 PolarHBondContact N-O 3.08Å; H163-E181 PolarHBondContact O-N 2.84Å; H163-E181 VanDerWaalsContact O-N 3.11Å; H163-Q273 VanDerWaalsContact CA-O 3.31Å; H163-Q273 WeakPolarHBondContact CA-O 3.33Å; H163-Q273 VanDerWaalsContact CD2-C 3.46Å; H163-Q273 PolarHBondContact CD2-O 3Å; H163-Q273 VanDerWaalsContact CD2-O 3.27Å; H163-W274 HydrophobicContact CB-CD2 3.79Å; H163-W274 HydrophobicContact CB-CE3 3.74Å; H163-W274 HydrophobicContact CB-CH2 3.75Å; H163-W274 HydrophobicContact CB-CZ2 3.76Å; H163-W274 HydrophobicContact CB-CZ3 3.73Å; H163-W274 AromaticContact CD2-CD1 3.6Å; H163-W274 AromaticContact CD2-CD2 3.93Å; H163-W274 AromaticContact CD2-CE2 3.67Å; H163-W274 AromaticContact CD2-CG 3.92Å; H163-W274 AromaticContact CD2-NE1 3.42Å; H163-W274 PolarHBondContact CD2-NE1 2.83Å; H163-W274 AromaticContact CG-CE2 3.87Å
164Y93.3Very high77.3Confident5 Ų565.7 Ų65.72%0.0233%0.327CS..EExtended strand (participates in β ladder)trans-154.8156-179.363.3-82.6000110.1L162 L166 T178 L241 L258 L260 V267 A272 Q273L162-Y164 WeakPolarHBondContact O-CD1 3.4Å; Y164-L166 HydrophobicContact CD2-CD2 3.87Å; Y164-L166 HydrophobicContact CD2-CG 3.86Å; Y164-L166 HydrophobicContact CE2-CD1 4.17Å; Y164-L166 HydrophobicContact CE2-CD2 4.34Å; Y164-L166 HydrophobicContact CE2-CG 3.96Å; Y164-T178 CarbonylContact C-O 3.56Å; Y164-T178 WeakPolarHBondContact CA-O 3.38Å; Y164-L241 HydrophobicContact CD1-CD1 4.21Å; Y164-L241 HydrophobicContact CD2-CD1 4.16Å; Y164-L241 HydrophobicContact CG-CD1 3.88Å; Y164-L258 HydrophobicContact CD1-CD2 3.99Å; Y164-L258 HydrophobicContact CE1-CD2 3.38Å; Y164-L260 HydrophobicContact CD2-CD1 4.21Å; Y164-L260 HydrophobicContact CE1-CD1 4.32Å; Y164-L260 HydrophobicContact CE2-CD1 3.39Å; Y164-L260 VanDerWaalsContact CZ-CD1 3.46Å; Y164-L260 WeakPolarHBondContact OH-CD1 3.35Å; Y164-L260 WeakPolarHBondContact OH-CD2 3.35Å; Y164-V267 HydrophobicContact CE2-CG1 4.08Å; Y164-A272 WeakPolarHBondContact O-CA 3.43Å; Y164-Q273 HydrophobicContact CE1-CG 4.02Å; Y164-Q273 HydrophobicContact CE2-CG 3.97Å; Y164-Q273 PolarHBondContact N-O 3.2Å; Y164-Q273 PolarHBondContact O-N 2.68Å
165C92.4Very high80.1Confident9 Ų962.7 Ų62.76%0.06130%0.302CS..EExtended strand (participates in β ladder)trans-125.4135.9169.1-175.20000108.4V177 T178 C179 A272C165-V177 CarbonylContact O-C 3.54Å; C165-V177 WeakPolarHBondContact O-CA 3.36Å; C165-T178 PolarHBondContact N-O 3.42Å; C165-T178 PolarHBondContact O-N 2.96Å; C165-C179 HydrophobicContact CB-CB 4Å; C165-A272 HydrophobicContact CB-CB 4.07Å
166L92.4Very high82.9Confident1 Ų162.6 Ų62.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-108.9123.8178.1-58.8-174.1000109.6Y164 F176 V177 L239 L260 L262 V267 L269 G270Y164-L166 HydrophobicContact CD2-CD2 3.87Å; Y164-L166 HydrophobicContact CD2-CG 3.86Å; Y164-L166 HydrophobicContact CE2-CD1 4.17Å; Y164-L166 HydrophobicContact CE2-CD2 4.34Å; Y164-L166 HydrophobicContact CE2-CG 3.96Å; L166-F176 WeakPolarHBondContact CA-O 3.04Å; L166-V177 HydrophobicContact CD2-CB 4.24Å; L166-V177 HydrophobicContact CD2-CG1 3.94Å; L166-V177 HydrophobicContact CD2-CG2 3.79Å; L166-L239 HydrophobicContact CD1-CD2 3.95Å; L166-L239 HydrophobicContact CD2-CD2 3.41Å; L166-L239 VanDerWaalsContact CD2-CD2 3.41Å; L166-L239 HydrophobicContact CG-CD2 4.36Å; L166-L260 HydrophobicContact CD1-CD1 4.24Å; L166-L262 HydrophobicContact CD1-CD2 4.04Å; L166-V267 HydrophobicContact CD1-CB 4.29Å; L166-V267 HydrophobicContact CD1-CG1 3.75Å; L166-V267 HydrophobicContact CG-CG1 4.38Å; L166-L269 HydrophobicContact CB-CD2 3.92Å; L166-L269 CarbonylContact O-C 3.56Å; L166-L269 WeakPolarHBondContact O-CA 3.47Å; L166-G270 PolarHBondContact O-N 2.93Å
167D90.9Very high85.6Confident63 Ų6357 Ų5734%0.33727%0.274SS..EExtended strand (participates in β ladder)trans-126.5144.2175-67-66.4000109F176 G270D167-F176 HydrophobicContact CB-CB 4.21Å; D167-F176 PolarHBondContact N-O 3.23Å; D167-F176 PolarHBondContact O-N 2.89Å; D167-G270 VanDerWaalsContact OD1-CA 3.3Å; D167-G270 WeakPolarHBondContact OD1-CA 3.36Å
168Y90.9Very high87.8Confident35 Ų3552.7 Ų52.714%0.13725%0.253CS..EExtended strand (participates in β ladder)trans-125.3121.8179.8-176.9-103.7000110.6R170 E174 L175 L229 E231 L234Y168-R170 HydrophobicContact CD1-CG 3.87Å; Y168-R170 HydrophobicContact CE1-CB 4.4Å; Y168-R170 HydrophobicContact CE1-CG 3.81Å; Y168-E174 WeakPolarHBondContact CD2-O 3.24Å; Y168-L175 HydrophobicContact CD2-CB 4.25Å; Y168-L175 HydrophobicContact CD2-CD1 4.35Å; Y168-L229 WeakPolarHBondContact CE2-O 3.28Å; Y168-L229 PolarHBondContact OH-O 3.34Å; Y168-E231 HydrophobicContact CE1-CB 4.22Å; Y168-E231 HydrophobicContact CE1-CG 4.24Å; Y168-E231 VanDerWaalsContact OH-CA 3.24Å; Y168-E231 WeakPolarHBondContact OH-CA 3.16Å; Y168-E231 WeakPolarHBondContact OH-CB 3.46Å; Y168-E231 PolarHBondContact OH-N 3.42Å; Y168-L234 HydrophobicContact CD1-CD1 4.44Å; Y168-L234 HydrophobicContact CD2-CD1 3.72Å; Y168-L234 HydrophobicContact CE2-CD1 3.87Å; Y168-L234 HydrophobicContact CG-CD1 4.03Å
169D90.4Very high89.3Confident44 Ų4451 Ų5124%0.23525%0.252CS..EExtended strand (participates in β ladder)trans-94.7105.9175.4-173.3-12.4000109.9Q171 K172 A173 E174 F176D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.37Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.44Å; D169-Q171 PolarHBondContact OD1-N 3.02Å; D169-K172 HydrophobicContact CB-CB 4.4Å; D169-K172 PolarHBondContact O-N 3.32Å; D169-K172 PolarHBondContact OD1-N 3.37Å; D169-K172 WeakPolarHBondContact OD2-CD 3.38Å; D169-K172 WeakPolarHBondContact OD2-CG 3.39Å; D169-A173 WeakPolarHBondContact O-CA 3.46Å; D169-A173 PolarHBondContact O-N 2.93Å; D169-E174 PolarHBondContact N-O 3.37Å; D169-E174 PolarHBondContact O-N 2.95Å; D169-F176 HydrophobicContact CB-CD2 4.32Å; D169-F176 HydrophobicContact CB-CE2 3.71Å
170R87.5Confident90.5Very high181 Ų18149.7 Ų49.768%0.68324%0.241SC*.THydrogen-bonded Turntrans-65.7-27.3178.6-61-172-177-175.4-2113.4Y168 E231Y168-R170 HydrophobicContact CD1-CG 3.87Å; Y168-R170 HydrophobicContact CE1-CB 4.4Å; Y168-R170 HydrophobicContact CE1-CG 3.81Å; R170-E231 IonicContact CZ-OE1 3.89Å; R170-E231 IonicContact NE-OE1 2.96Å; R170-E231 PolarHBondContact NE-OE1 3.27Å; R170-E231 IonicContact NH1-OE1 3.27Å
171Q89.8Confident91Very high187 Ų18751.1 Ų51.187%0.87425%0.246SC*.THydrogen-bonded Turntrans-74.7-32.8-178.5-63.5-170.6-10.100111.5D169D169-Q171 VanDerWaalsContact C-N 3.27Å; D169-Q171 PolarHBondContact O-N 3.37Å; D169-Q171 WeakPolarHBondContact OD1-CB 3.44Å; D169-Q171 PolarHBondContact OD1-N 3.02Å
172K87.9Confident90.9Very high132 Ų13247.1 Ų47.157%0.57423%0.229SC*.THydrogen-bonded Turntrans-98.2-14.2-180-64.1-178.2-172.6167.30113.9D169 E174D169-K172 HydrophobicContact CB-CB 4.4Å; D169-K172 PolarHBondContact O-N 3.32Å; D169-K172 PolarHBondContact OD1-N 3.37Å; D169-K172 WeakPolarHBondContact OD2-CD 3.38Å; D169-K172 WeakPolarHBondContact OD2-CG 3.39Å; K172-E174 HydrophobicContact CB-CB 4.23Å; K172-E174 HydrophobicContact CB-CG 3.97Å; K172-E174 WeakPolarHBondContact CD-OE2 3.04Å
173A89.6Confident90.7Very high37 Ų3749.1 Ų49.131%0.30624%0.241SC..THydrogen-bonded Turntrans55.751.1-169.900000111.5D169 L229D169-A173 WeakPolarHBondContact O-CA 3.46Å; D169-A173 PolarHBondContact O-N 2.93Å; A173-L229 CarbonylContact C-O 3.22Å; A173-L229 VanDerWaalsContact C-O 3.22Å; A173-L229 CarbonylContact O-C 3.51Å; A173-L229 PolarHBondContact O-N 2.8Å
174E92Very high90Very high54 Ų5448 Ų4825%0.25224%0.236SC..EExtended strand (participates in β ladder)trans-129.9133.1-177.2-70.6178.9156.600110.9Y168 D169 K172 F176 V226Y168-E174 WeakPolarHBondContact CD2-O 3.24Å; D169-E174 PolarHBondContact N-O 3.37Å; D169-E174 PolarHBondContact O-N 2.95Å; K172-E174 HydrophobicContact CB-CB 4.23Å; K172-E174 HydrophobicContact CB-CG 3.97Å; K172-E174 WeakPolarHBondContact CD-OE2 3.04Å; E174-F176 HydrophobicContact CB-CE2 3.8Å; E174-F176 HydrophobicContact CB-CZ 4.1Å; E174-F176 WeakPolarHBondContact OE2-CZ 3.16Å; E174-V226 HydrophobicContact CB-CG1 4.09Å; E174-V226 HydrophobicContact CG-CG1 4.15Å
175L91.3Very high88.9Confident0 Ų049.1 Ų49.10%025%0.245CC..EExtended strand (participates in β ladder)trans-92.6125.4169.7-178.472.9000109.5Y168 V199 L227 L239 L262Y168-L175 HydrophobicContact CD2-CB 4.25Å; Y168-L175 HydrophobicContact CD2-CD1 4.35Å; L175-V199 HydrophobicContact CD2-CG2 4.16Å; L175-L227 HydrophobicContact CB-CB 4.32Å; L175-L227 PolarHBondContact N-O 3.29Å; L175-L227 PolarHBondContact O-N 2.81Å; L175-L239 HydrophobicContact CD2-CD1 4.27Å; L175-L239 HydrophobicContact CD2-CD2 4.15Å; L175-L262 HydrophobicContact CD2-CD1 3.73Å; L175-L262 HydrophobicContact CD2-CD2 4.31Å
176F92.5Very high87.1Confident50 Ų5054 Ų5422%0.21927%0.271CS..EExtended strand (participates in β ladder)trans-102.8128.2176-66.6-89000110L166 D167 D169 E174 T178 L225 V226L166-F176 WeakPolarHBondContact CA-O 3.04Å; D167-F176 HydrophobicContact CB-CB 4.21Å; D167-F176 PolarHBondContact N-O 3.23Å; D167-F176 PolarHBondContact O-N 2.89Å; D169-F176 HydrophobicContact CB-CD2 4.32Å; D169-F176 HydrophobicContact CB-CE2 3.71Å; E174-F176 HydrophobicContact CB-CE2 3.8Å; E174-F176 HydrophobicContact CB-CZ 4.1Å; E174-F176 WeakPolarHBondContact OE2-CZ 3.16Å; F176-T178 HydrophobicContact CB-CG2 4.41Å; F176-L225 CarbonylContact C-O 3.51Å; F176-L225 WeakPolarHBondContact CA-O 3.5Å; F176-V226 HydrophobicContact CD1-CB 4.49Å; F176-V226 HydrophobicContact CD1-CG1 4.32Å; F176-V226 HydrophobicContact CD1-CG2 3.76Å; F176-V226 HydrophobicContact CE1-CB 4.27Å; F176-V226 HydrophobicContact CE1-CG1 3.79Å; F176-V226 HydrophobicContact CE1-CG2 3.56Å; F176-V226 HydrophobicContact CZ-CG1 4.05Å
177V93.1Very high85.4Confident0 Ų059.7 Ų59.70%030%0.297CS..EExtended strand (participates in β ladder)trans-111109.4170.3-169.80000108C165 L166 L180 G224 L225 L227 L239 L241C165-V177 CarbonylContact O-C 3.54Å; C165-V177 WeakPolarHBondContact O-CA 3.36Å; L166-V177 HydrophobicContact CD2-CB 4.24Å; L166-V177 HydrophobicContact CD2-CG1 3.94Å; L166-V177 HydrophobicContact CD2-CG2 3.79Å; V177-L180 HydrophobicContact CG1-CD2 3.82Å; V177-L180 HydrophobicContact CG1-CG 4.44Å; V177-G224 CarbonylContact O-C 3.56Å; V177-G224 WeakPolarHBondContact O-CA 3.37Å; V177-L225 HydrophobicContact CB-CB 4.04Å; V177-L225 HydrophobicContact CB-CD1 4.45Å; V177-L225 HydrophobicContact CG2-CB 4.33Å; V177-L225 PolarHBondContact N-O 2.76Å; V177-L225 PolarHBondContact O-N 2.71Å; V177-L227 HydrophobicContact CG2-CD1 4.17Å; V177-L239 HydrophobicContact CG2-CD1 4.41Å; V177-L239 HydrophobicContact CG2-CD2 4Å; V177-L241 HydrophobicContact CG1-CD1 4.11Å; V177-L241 HydrophobicContact CG1-CD2 4.02Å; V177-L241 HydrophobicContact CG2-CD2 4.3Å
178T92Very high83.6Confident43 Ų4361 Ų6126%0.26430%0.304SS..EExtended strand (participates in β ladder)trans-120.1-177.1-175.563.60000111.1Y164 C165 F176 L180Y164-T178 CarbonylContact C-O 3.56Å; Y164-T178 WeakPolarHBondContact CA-O 3.38Å; C165-T178 PolarHBondContact N-O 3.42Å; C165-T178 PolarHBondContact O-N 2.96Å; F176-T178 HydrophobicContact CB-CG2 4.41Å; T178-L180 PolarHBondContact O-N 2.81Å
179C88.2Confident81.7Confident71 Ų7163.2 Ų63.248%0.4834%0.338SS..EExtended strand (participates in β ladder)trans55.636178.5-61.90000113.8H163 C165 E181H163-C179 CarbonylContact C-O 3.58Å; H163-C179 PolarHBondContact ND1-O 3.4Å; H163-C179 VanDerWaalsContact O-O 3.04Å; C165-C179 HydrophobicContact CB-CB 4Å; C179-E181 PolarHBondContact O-N 2.83Å
180L90.8Very high80.2Confident2 Ų262.5 Ų62.51%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-72.2111.5-174.5-72173.5000111.2L162 H163 V177 T178 V195 T210 W221 L225L162-L180 HydrophobicContact CD1-CD2 4.4Å; H163-L180 WeakPolarHBondContact O-CA 3.47Å; V177-L180 HydrophobicContact CG1-CD2 3.82Å; V177-L180 HydrophobicContact CG1-CG 4.44Å; T178-L180 PolarHBondContact O-N 2.81Å; L180-V195 HydrophobicContact CD2-CG1 4.21Å; L180-T210 HydrophobicContact CD1-CG2 3.6Å; L180-W221 HydrophobicContact CB-CB 4.08Å; L180-W221 HydrophobicContact CB-CE3 4.19Å; L180-W221 PolarHBondContact O-N 2.82Å; L180-L225 HydrophobicContact CD1-CD1 4.28Å; L180-L225 HydrophobicContact CD1-CG 3.98Å
181E91Very high79.5Confident42 Ų4254.8 Ų54.820%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-139.6124.8176.6170.9-165.4147.500110L162 H163 C179 H218 T219 T220 W274L162-E181 CarbonylContact C-O 3.52Å; L162-E181 WeakPolarHBondContact CA-O 3.27Å; H163-E181 HydrophobicContact CB-CB 3.97Å; H163-E181 PolarHBondContact N-O 3.08Å; H163-E181 PolarHBondContact O-N 2.84Å; H163-E181 VanDerWaalsContact O-N 3.11Å; C179-E181 PolarHBondContact O-N 2.83Å; E181-H218 IonicContact OE1-CE1 3.93Å; E181-H218 PolarHBondContact OE1-CE1 3.27Å; E181-H218 IonicContact OE1-ND1 3.59Å; E181-H218 PolarHBondContact OE1-ND1 2.94Å; E181-H218 IonicContact OE1-NE2 2.66Å; E181-H218 IonicContact OE2-CE1 2.73Å; E181-T219 CarbonylContact C-O 3.59Å; E181-T219 WeakPolarHBondContact CA-O 3.35Å; E181-T220 HydrophobicContact CB-CG2 3.98Å; E181-T220 HydrophobicContact CG-CG2 3.75Å; E181-W274 HydrophobicContact CG-CH2 4.03Å; E181-W274 WeakPolarHBondContact OE1-CH2 3.19Å; E181-W274 VanDerWaalsContact OE1-CZ2 3.3Å; E181-W274 WeakPolarHBondContact OE1-CZ2 3.49Å
182A88.9Confident79.3Confident0 Ų049.1 Ų49.10%029%0.29CS..EExtended strand (participates in β ladder)trans-109.3130.5179.400000111.1K161 L162 T184 H218 T219 W221 L243K161-A182 CarbonylContact O-C 3.5Å; K161-A182 WeakPolarHBondContact O-CA 3.27Å; L162-A182 HydrophobicContact CD1-CB 4.11Å; A182-T184 HydrophobicContact CB-CG2 4.43Å; A182-H218 CarbonylContact O-C 3.47Å; A182-H218 WeakPolarHBondContact O-CA 3.5Å; A182-T219 PolarHBondContact N-O 3.24Å; A182-T219 PolarHBondContact O-N 3.17Å; A182-W221 HydrophobicContact CB-CH2 3.82Å; A182-W221 HydrophobicContact CB-CZ3 3.59Å; A182-L243 HydrophobicContact CB-CD1 4.16Å; A182-L243 HydrophobicContact CB-CD2 4.25Å
183V86.8Confident79.4Confident42 Ų4242.9 Ų42.926%0.25526%0.263SS..EExtended strand (participates in β ladder)trans-105.2120.4169.1177.30000108.2P160 K161 L217 W274P160-V183 CarbonylContact C-O 3.31Å; P160-V183 VanDerWaalsContact CA-O 3.22Å; P160-V183 WeakPolarHBondContact CA-O 3.46Å; K161-V183 PolarHBondContact N-O 3.47Å; K161-V183 PolarHBondContact O-N 2.95Å; V183-L217 CarbonylContact C-O 3.47Å; V183-L217 VanDerWaalsContact CA-O 3.27Å; V183-L217 WeakPolarHBondContact CA-O 3.09Å; V183-W274 HydrophobicContact CB-CZ3 4.33Å; V183-W274 HydrophobicContact CG2-CH2 3.54Å; V183-W274 HydrophobicContact CG2-CZ3 3.77Å
184T78.4Confident79.4Confident9 Ų941.7 Ų41.76%0.05525%0.25CS..  trans-126.6152.2-176.276.40000112P160 A182 R215 Q216 L217 L243P160-T184 HydrophobicContact CB-CG2 4.16Å; A182-T184 HydrophobicContact CB-CG2 4.43Å; T184-R215 PolarHBondContact OG1-NE 2.78Å; T184-R215 VanDerWaalsContact OG1-NE 3.13Å; T184-Q216 PolarHBondContact OG1-O 3.24Å; T184-L217 PolarHBondContact N-O 3.03Å; T184-L217 WeakPolarHBondContact O-CD1 3.34Å; T184-L243 HydrophobicContact CG2-CD2 3.66Å
185S69.8Low79.4Confident30 Ų3039.1 Ų39.121%0.2124%0.238CC..  trans-73.4142.7173.257.10000111.6H187 R215S185-H187 PolarHBondContact O-N 2.84Å; S185-R215 PolarHBondContact O-NH2 2.59Å; S185-R215 VanDerWaalsContact O-NH2 3.16Å
186N55.3Low79.5Confident112 Ų11239.7 Ų39.760%0.59924%0.241SC*.SBendtrans-7190.6-177.2-89.4-12.6000111.6L217N186-L217 HydrophobicContact CB-CD1 4.46Å; N186-L217 WeakPolarHBondContact OD1-CD1 3.35Å
187H55.9Low79.5Confident120 Ų12037.3 Ų37.356%0.55623%0.231SC*.SBendtrans-130.3-8.9171-75.5-59.8000117S185S185-H187 PolarHBondContact O-N 2.84Å
188D53Low79.4Confident91 Ų9138.2 Ų38.249%0.48724%0.237SC..  trans-14687.2175-75.2-52.9000111.8G190 C191D188-G190 PolarHBondContact O-N 2.75Å; D188-C191 HydrophobicContact CB-CB 4.38Å
189G51Low79.3Confident81 Ų8136.1 Ų36.184%0.83522%0.224SC*.THydrogen-bonded Turntrans-69.326.7-17900000115.9
190G58.6Low79Confident28 Ų2835.7 Ų35.729%0.28923%0.226SC..THydrogen-bonded Turntrans-161.419.3-176.600000116.1D188D188-G190 PolarHBondContact O-N 2.75Å
191C73.9Confident78.1Confident20 Ų2037.2 Ų37.214%0.13523%0.234CC..  trans-104.3149.6173.1-680000110.1D188 R215 C246D188-C191 HydrophobicContact CB-CB 4.38Å; C191-R215 WeakPolarHBondContact O-CB 3.39Å; C191-R215 PolarHBondContact O-N 2.82Å; C191-C246 WeakPolarHBondContact CA-O 3.43Å; C191-C246 WeakPolarHBondContact CB-O 3.43Å
192D85.5Confident76.9Confident68 Ų6845.9 Ų45.936%0.36427%0.265SS..EExtended strand (participates in β ladder)trans-88.4155.7170.7-61.5-30.3000109.4L212 K213 T245 C246D192-L212 HydrophobicContact CB-CB 4.41Å; D192-L212 HydrophobicContact CB-CD2 4.16Å; D192-K213 CarbonylContact C-O 3.52Å; D192-K213 WeakPolarHBondContact CA-O 3.37Å; D192-T245 CarbonylContact O-C 3.59Å; D192-T245 WeakPolarHBondContact O-CA 3.39Å; D192-C246 HydrophobicContact CB-CB 4.38Å; D192-C246 PolarHBondContact N-O 3.21Å; D192-C246 VanDerWaalsContact N-O 3.12Å; D192-C246 PolarHBondContact O-N 3.38Å
193C88.8Confident75.8Confident1 Ų151.9 Ų51.91%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-140.3157.217762.80000111.9K213 R215 L243 R244 T245C193-K213 PolarHBondContact N-O 3.19Å; C193-K213 PolarHBondContact O-N 3.26Å; C193-R215 HydrophobicContact CB-CB 4.32Å; C193-L243 HydrophobicContact CB-CD1 4.4Å; C193-R244 WeakPolarHBondContact CA-O 3.3Å; C193-R244 VanDerWaalsContact CB-O 3.28Å; C193-R244 WeakPolarHBondContact CB-O 3.38Å; C193-T245 HydrophobicContact CB-CG2 4.19Å
194Y90.6Very high75Confident12 Ų1251.7 Ų51.75%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-150.9162174.566.5-81.8000109.9Q196 Q209 L212 R244 H252Y194-Q196 HydrophobicContact CD2-CB 4.46Å; Y194-Q196 HydrophobicContact CE2-CB 4.11Å; Y194-Q209 HydrophobicContact CD2-CB 3.92Å; Y194-Q209 HydrophobicContact CE2-CB 4.04Å; Y194-Q209 VanDerWaalsContact CE2-OE1 3.32Å; Y194-L212 HydrophobicContact CD1-CD2 3.47Å; Y194-L212 VanDerWaalsContact CD1-CD2 3.47Å; Y194-L212 HydrophobicContact CE1-CD2 4.14Å; Y194-L212 HydrophobicContact CG-CD2 4.24Å; Y194-R244 HydrophobicContact CD1-CB 4.08Å; Y194-R244 HydrophobicContact CE1-CB 3.64Å; Y194-R244 HydrophobicContact CE2-CB 4.09Å; Y194-R244 HydrophobicContact CE2-CG 4.4Å; Y194-R244 VanDerWaalsContact CZ-CD 3.46Å; Y194-R244 PolarHBondContact N-O 2.89Å; Y194-R244 PolarHBondContact O-N 3.16Å; Y194-R244 WeakPolarHBondContact OH-CD 3.36Å; Y194-H252 AromaticContact CE1-ND1 3.51Å; Y194-H252 AromaticContact CZ-ND1 3.83Å; Y194-H252 PolarHBondContact OH-ND1 3.07Å
195V92.9Very high75.2Confident0 Ų054.6 Ų54.60%033%0.329CS..EExtended strand (participates in β ladder)trans-104.1130.6174.9-1780000108.1L162 L180 Q209 T210 W221 L225 T242 L243L162-V195 HydrophobicContact CD1-CG2 4Å; L162-V195 HydrophobicContact CD2-CG1 4.2Å; L180-V195 HydrophobicContact CD2-CG1 4.21Å; V195-Q209 CarbonylContact O-C 3.6Å; V195-Q209 WeakPolarHBondContact O-CA 3.38Å; V195-T210 HydrophobicContact CB-CG2 4.2Å; V195-T210 PolarHBondContact N-OG1 3.11Å; V195-T210 PolarHBondContact O-N 3.23Å; V195-T210 PolarHBondContact O-OG1 3.29Å; V195-W221 HydrophobicContact CG2-CD2 4.25Å; V195-W221 HydrophobicContact CG2-CE3 3.89Å; V195-W221 HydrophobicContact CG2-CH2 3.74Å; V195-W221 HydrophobicContact CG2-CZ2 4.09Å; V195-W221 HydrophobicContact CG2-CZ3 3.62Å; V195-L225 HydrophobicContact CG1-CD1 4.34Å; V195-T242 WeakPolarHBondContact CA-O 3.43Å; V195-L243 HydrophobicContact CG2-CD1 4.11Å
196Q93.1Very high76.1Confident12 Ų1255.1 Ų55.16%0.05633%0.331CS..EExtended strand (participates in β ladder)trans-111.7128.3172.3-177.9-178.8-28.600108.7Y194 E207 A208 Q209 L241 T242Y194-Q196 HydrophobicContact CD2-CB 4.46Å; Y194-Q196 HydrophobicContact CE2-CB 4.11Å; Q196-E207 VanDerWaalsContact NE2-CD 3.31Å; Q196-E207 PolarHBondContact NE2-OE2 2.74Å; Q196-A208 CarbonylContact C-O 3.41Å; Q196-A208 WeakPolarHBondContact CA-O 3.18Å; Q196-Q209 HydrophobicContact CB-CB 4.46Å; Q196-L241 CarbonylContact O-C 3.54Å; Q196-L241 WeakPolarHBondContact O-CA 3.46Å; Q196-T242 PolarHBondContact N-O 2.83Å; Q196-T242 PolarHBondContact O-N 3.36Å
197G92.3Very high77.8Confident0 Ų055.4 Ų55.40%033%0.328CS..EExtended strand (participates in β ladder)trans-103.5137.7169.600000109.6E207 A208 T240G197-E207 CarbonylContact O-C 3.55Å; G197-E207 VanDerWaalsContact O-CA 3.27Å; G197-E207 WeakPolarHBondContact O-CA 3.3Å; G197-A208 PolarHBondContact N-O 2.79Å; G197-A208 PolarHBondContact O-N 3.25Å; G197-T240 CarbonylContact C-O 3.59Å; G197-T240 WeakPolarHBondContact CA-O 3.01Å
198S90.3Very high79.4Confident18 Ų1850.7 Ų50.713%0.12631%0.31CS..EExtended strand (participates in β ladder)trans-135.4139.5174.257.20000110.4V206 T240S198-V206 CarbonylContact C-O 3.6Å; S198-V206 VanDerWaalsContact CA-O 3.27Å; S198-V206 WeakPolarHBondContact CA-O 3.11Å; S198-T240 PolarHBondContact N-O 3.23Å; S198-T240 PolarHBondContact O-N 3.01Å; S198-T240 WeakPolarHBondContact OG-CB 3.45Å; S198-T240 PolarHBondContact OG-O 2.86Å
199V90.5Very high81.3Confident0 Ų052.1 Ų52.10%031%0.314CS..EExtended strand (participates in β ladder)trans-129.1128.2174.9176.20000108.4L175 S205 V206 L227 L229 A237 L239L175-V199 HydrophobicContact CD2-CG2 4.16Å; V199-S205 WeakPolarHBondContact O-CA 3.28Å; V199-V206 PolarHBondContact N-O 2.91Å; V199-V206 PolarHBondContact O-N 3.44Å; V199-L227 HydrophobicContact CG2-CB 4.41Å; V199-L227 HydrophobicContact CG2-CD1 3.95Å; V199-L229 HydrophobicContact CG1-CD1 3.84Å; V199-L229 HydrophobicContact CG1-CD2 4.14Å; V199-A237 HydrophobicContact CG1-CB 4Å; V199-L239 HydrophobicContact CG2-CB 4.14Å; V199-L239 HydrophobicContact CG2-CD1 3.55Å; V199-L239 HydrophobicContact CG2-CG 4.46Å
200A81.3Confident83.3Confident62 Ų6248.6 Ų48.651%0.51228%0.276SS..EExtended strand (participates in β ladder)trans-81.7126.2171.100000110.1
201N71.2Confident84.8Confident34 Ų3449.6 Ų49.618%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-122.3178.7175.672.925.5000111T203 G204 V206 E233N201-T203 PolarHBondContact ND2-OG1 2.76Å; N201-T203 PolarHBondContact O-N 3.07Å; N201-T203 WeakPolarHBondContact OD1-CA 3.34Å; N201-T203 PolarHBondContact OD1-N 3.12Å; N201-T203 PolarHBondContact OD1-OG1 3.04Å; N201-G204 PolarHBondContact N-O 2.86Å; N201-G204 PolarHBondContact O-N 2.89Å; N201-G204 VanDerWaalsContact O-O 3.11Å; N201-G204 PolarHBondContact OD1-N 3.43Å; N201-G204 PolarHBondContact OD1-O 2.9Å; N201-V206 WeakPolarHBondContact ND2-CG2 3.36Å; N201-E233 WeakPolarHBondContact CB-OE2 3.35Å
202R66.4Low85.5Confident224 Ų22453.2 Ų53.285%0.84530%0.299SS*.THydrogen-bonded Turntrans-67.1-21.3-178.5-169.3175.866.9177.1-0.6113.5E233R202-E233 WeakPolarHBondContact CB-OE1 3.3Å; R202-E233 PolarHBondContact N-OE1 3.05Å
203T65.2Low85.5Confident126 Ų12653.2 Ų53.277%0.77330%0.296SS*.THydrogen-bonded Turntrans-97.6-10.7-176.456.40000114.2N201N201-T203 PolarHBondContact ND2-OG1 2.76Å; N201-T203 PolarHBondContact O-N 3.07Å; N201-T203 WeakPolarHBondContact OD1-CA 3.34Å; N201-T203 PolarHBondContact OD1-N 3.12Å; N201-T203 PolarHBondContact OD1-OG1 3.04Å
204G71.8Confident85.2Confident38 Ų3859.4 Ų59.439%0.39232%0.323SS..EExtended strand (participates in β ladder)trans151.4-160.2-175.200000112.8N201N201-G204 PolarHBondContact N-O 2.86Å; N201-G204 PolarHBondContact O-N 2.89Å; N201-G204 VanDerWaalsContact O-O 3.11Å; N201-G204 PolarHBondContact OD1-N 3.43Å; N201-G204 PolarHBondContact OD1-O 2.9Å
205S82.1Confident84.6Confident70 Ų7060.6 Ų60.649%0.4933%0.327SS..EExtended strand (participates in β ladder)trans-107.1132.5170.1-177.10000108.7V199V199-S205 WeakPolarHBondContact O-CA 3.28Å
206V87.7Confident83.9Confident41 Ų4166.5 Ų66.525%0.24836%0.355CS..EExtended strand (participates in β ladder)trans-106134.3172.8-175.90000108.4S198 V199 N201 L227 P228S198-V206 CarbonylContact C-O 3.6Å; S198-V206 VanDerWaalsContact CA-O 3.27Å; S198-V206 WeakPolarHBondContact CA-O 3.11Å; V199-V206 PolarHBondContact N-O 2.91Å; V199-V206 PolarHBondContact O-N 3.44Å; N201-V206 WeakPolarHBondContact ND2-CG2 3.36Å; V206-L227 HydrophobicContact CG1-CD2 4.5Å; V206-P228 HydrophobicContact CG1-CG 4.37Å
207E92.1Very high83.3Confident117 Ų11770.3 Ų70.355%0.54738%0.375SS..EExtended strand (participates in β ladder)trans-129.5141.9-174.6-50.9-172.3167.800110.8Q196 G197Q196-E207 VanDerWaalsContact NE2-CD 3.31Å; Q196-E207 PolarHBondContact NE2-OE2 2.74Å; G197-E207 CarbonylContact O-C 3.55Å; G197-E207 VanDerWaalsContact O-CA 3.27Å; G197-E207 WeakPolarHBondContact O-CA 3.3Å
208A90Very high82.9Confident21 Ų2174.5 Ų74.517%0.17439%0.394CS..EExtended strand (participates in β ladder)trans-135150.9172.700000109Q196 G197 L225 L227Q196-A208 CarbonylContact C-O 3.41Å; Q196-A208 WeakPolarHBondContact CA-O 3.18Å; G197-A208 PolarHBondContact N-O 2.79Å; G197-A208 PolarHBondContact O-N 3.25Å; A208-L225 HydrophobicContact CB-CB 4.11Å; A208-L225 HydrophobicContact CB-CD2 4.1Å; A208-L227 HydrophobicContact CB-CD2 3.68Å; A208-L227 HydrophobicContact CB-CG 4.25Å
209Q92.8Very high82.8Confident122 Ų12274 Ų7457%0.5739%0.39SS*.EExtended strand (participates in β ladder)trans-138.1150.1-179.266.2-177.9-5.500111.8Y194 V195 Q196 L225Y194-Q209 HydrophobicContact CD2-CB 3.92Å; Y194-Q209 HydrophobicContact CE2-CB 4.04Å; Y194-Q209 VanDerWaalsContact CE2-OE1 3.32Å; V195-Q209 CarbonylContact O-C 3.6Å; V195-Q209 WeakPolarHBondContact O-CA 3.38Å; Q196-Q209 HydrophobicContact CB-CB 4.46Å; Q209-L225 VanDerWaalsContact C-CD2 3.42Å
210T92.7Very high82.7Confident7 Ų776.8 Ų76.84%0.04341%0.408CS..PPolyproline II helixtrans-81.7167.2171.466.80000111.4L180 V195 W221 E223 L225L180-T210 HydrophobicContact CD1-CG2 3.6Å; V195-T210 HydrophobicContact CB-CG2 4.2Å; V195-T210 PolarHBondContact N-OG1 3.11Å; V195-T210 PolarHBondContact O-N 3.23Å; V195-T210 PolarHBondContact O-OG1 3.29Å; T210-W221 VanDerWaalsContact CB-CD1 3.42Å; T210-W221 HydrophobicContact CG2-CB 4.22Å; T210-W221 HydrophobicContact CG2-CG 4.1Å; T210-W221 PolarHBondContact OG1-NE1 2.99Å; T210-W221 VanDerWaalsContact OG1-NE1 3.08Å; T210-E223 WeakPolarHBondContact CB-OE1 3.42Å; T210-E223 HydrophobicContact CG2-CG 4.09Å; T210-L225 HydrophobicContact CG2-CD2 3.7Å; T210-L225 HydrophobicContact CG2-CG 4.29Å
211A88.9Confident83.3Confident49 Ų4974.3 Ų74.341%0.40539%0.385SS..PPolyproline II helixtrans-63.1148.816900000111.4K213 W221 E223A211-K213 PolarHBondContact O-N 3.28Å; A211-W221 PolarHBondContact O-NE1 2.79Å; A211-E223 WeakPolarHBondContact CA-OE1 3.36Å; A211-E223 WeakPolarHBondContact CB-OE1 3.41Å; A211-E223 PolarHBondContact N-OE1 3.04Å
212L88.6Confident84.1Confident95 Ų9581.5 Ų81.550%0.49742%0.418SS..PPolyproline II helixtrans-65.2126173.5-71.2165.8000109.9D192 Y194 C246D192-L212 HydrophobicContact CB-CB 4.41Å; D192-L212 HydrophobicContact CB-CD2 4.16Å; Y194-L212 HydrophobicContact CD1-CD2 3.47Å; Y194-L212 VanDerWaalsContact CD1-CD2 3.47Å; Y194-L212 HydrophobicContact CE1-CD2 4.14Å; Y194-L212 HydrophobicContact CG-CD2 4.24Å; L212-C246 HydrophobicContact CD2-CB 4.28Å
213K86.9Confident85.2Confident69 Ų6974.9 Ų74.930%0.340%0.396SS..EExtended strand (participates in β ladder)trans-121.9146.4170.4-73.9-165.5173.6-165.80110.2D192 C193 A211 R215 T219 T220 W221D192-K213 CarbonylContact C-O 3.52Å; D192-K213 WeakPolarHBondContact CA-O 3.37Å; C193-K213 PolarHBondContact N-O 3.19Å; C193-K213 PolarHBondContact O-N 3.26Å; A211-K213 PolarHBondContact O-N 3.28Å; K213-R215 PolarHBondContact O-N 2.86Å; K213-T219 HydrophobicContact CB-CG2 3.86Å; K213-T219 HydrophobicContact CD-CG2 4.33Å; K213-T220 WeakPolarHBondContact CD-O 3.48Å; K213-T220 VanDerWaalsContact CE-O 3.28Å; K213-T220 WeakPolarHBondContact CE-O 3.4Å; K213-T220 PolarHBondContact NZ-O 2.85Å; K213-W221 HydrophobicContact CD-CG 4.42Å
214K82.7Confident86.3Confident131 Ų13170.5 Ų70.557%0.5738%0.376SS*.EExtended strand (participates in β ladder)trans-62.9124.9175.2-171.2171.6-175.7177.70109.2Q216K214-Q216 PolarHBondContact O-N 3.45Å
215R77.8Confident87.4Confident36 Ų3668.9 Ų68.914%0.13636%0.359CS..  trans-64.2123.5-175.8-174.6179173.9-168.7-2.9110.7T184 S185 C191 C193 K213T184-R215 PolarHBondContact OG1-NE 2.78Å; T184-R215 VanDerWaalsContact OG1-NE 3.13Å; S185-R215 PolarHBondContact O-NH2 2.59Å; S185-R215 VanDerWaalsContact O-NH2 3.16Å; C191-R215 WeakPolarHBondContact O-CB 3.39Å; C191-R215 PolarHBondContact O-N 2.82Å; C193-R215 HydrophobicContact CB-CB 4.32Å; K213-R215 PolarHBondContact O-N 2.86Å
216Q78.2Confident87.9Confident125 Ų12568.4 Ų68.458%0.58435%0.353SS*.  trans-123.5171171.8-63.3-177.61600109.5T184 K214 H218 T219T184-Q216 PolarHBondContact OG1-O 3.24Å; K214-Q216 PolarHBondContact O-N 3.45Å; Q216-H218 PolarHBondContact O-N 3.09Å; Q216-H218 VanDerWaalsContact O-N 3.17Å; Q216-T219 PolarHBondContact N-OG1 3Å; Q216-T219 PolarHBondContact O-OG1 2.89Å
217L79.6Confident88.1Confident92 Ų9266.5 Ų66.548%0.48234%0.341SS..SBendtrans-53.9-35.4174.9-166.392000111V183 T184 N186V183-L217 CarbonylContact C-O 3.47Å; V183-L217 VanDerWaalsContact CA-O 3.27Å; V183-L217 WeakPolarHBondContact CA-O 3.09Å; T184-L217 PolarHBondContact N-O 3.03Å; T184-L217 WeakPolarHBondContact O-CD1 3.34Å; N186-L217 HydrophobicContact CB-CD1 4.46Å; N186-L217 WeakPolarHBondContact OD1-CD1 3.35Å
218H84.1Confident88.1Confident88 Ų8864 Ų6441%0.40734%0.335SS..EExtended strand (participates in β ladder)trans-132.3117.1176.3170.1107.2000107.9E181 A182 Q216 T220E181-H218 IonicContact OE1-CE1 3.93Å; E181-H218 PolarHBondContact OE1-CE1 3.27Å; E181-H218 IonicContact OE1-ND1 3.59Å; E181-H218 PolarHBondContact OE1-ND1 2.94Å; E181-H218 IonicContact OE1-NE2 2.66Å; E181-H218 IonicContact OE2-CE1 2.73Å; A182-H218 CarbonylContact O-C 3.47Å; A182-H218 WeakPolarHBondContact O-CA 3.5Å; Q216-H218 PolarHBondContact O-N 3.09Å; Q216-H218 VanDerWaalsContact O-N 3.17Å; H218-T220 WeakPolarHBondContact NE2-CG2 3.42Å
219T87.4Confident88Confident7 Ų763.1 Ų63.14%0.04333%0.328CS..EExtended strand (participates in β ladder)trans-122.4122.5-177.8-50.90000108.7E181 A182 K213 Q216 W221E181-T219 CarbonylContact C-O 3.59Å; E181-T219 WeakPolarHBondContact CA-O 3.35Å; A182-T219 PolarHBondContact N-O 3.24Å; A182-T219 PolarHBondContact O-N 3.17Å; K213-T219 HydrophobicContact CB-CG2 3.86Å; K213-T219 HydrophobicContact CD-CG2 4.33Å; Q216-T219 PolarHBondContact N-OG1 3Å; Q216-T219 PolarHBondContact O-OG1 2.89Å; T219-W221 HydrophobicContact CG2-CH2 3.67Å; T219-W221 HydrophobicContact CG2-CZ2 3.66Å; T219-W221 HydrophobicContact CG2-CZ3 4.14Å; T219-W221 VanDerWaalsContact O-CZ3 3.25Å; T219-W221 WeakPolarHBondContact O-CZ3 3.32Å
220T89.8Confident87.8Confident59 Ų5958.9 Ų58.936%0.36231%0.313SS..EExtended strand (participates in β ladder)trans-109.7142.1179.851.80000110.3E181 K213 H218E181-T220 HydrophobicContact CB-CG2 3.98Å; E181-T220 HydrophobicContact CG-CG2 3.75Å; K213-T220 WeakPolarHBondContact CD-O 3.48Å; K213-T220 VanDerWaalsContact CE-O 3.28Å; K213-T220 WeakPolarHBondContact CE-O 3.4Å; K213-T220 PolarHBondContact NZ-O 2.85Å; H218-T220 WeakPolarHBondContact NE2-CG2 3.42Å
221W92.4Very high87.5Confident9 Ų962.4 Ų62.43%0.03433%0.329CS..  trans-113.8129.6170.5-65.6-96.2000108.9L180 A182 V195 T210 A211 K213 T219 L243L180-W221 HydrophobicContact CB-CB 4.08Å; L180-W221 HydrophobicContact CB-CE3 4.19Å; L180-W221 PolarHBondContact O-N 2.82Å; A182-W221 HydrophobicContact CB-CH2 3.82Å; A182-W221 HydrophobicContact CB-CZ3 3.59Å; V195-W221 HydrophobicContact CG2-CD2 4.25Å; V195-W221 HydrophobicContact CG2-CE3 3.89Å; V195-W221 HydrophobicContact CG2-CH2 3.74Å; V195-W221 HydrophobicContact CG2-CZ2 4.09Å; V195-W221 HydrophobicContact CG2-CZ3 3.62Å; T210-W221 VanDerWaalsContact CB-CD1 3.42Å; T210-W221 HydrophobicContact CG2-CB 4.22Å; T210-W221 HydrophobicContact CG2-CG 4.1Å; T210-W221 PolarHBondContact OG1-NE1 2.99Å; T210-W221 VanDerWaalsContact OG1-NE1 3.08Å; A211-W221 PolarHBondContact O-NE1 2.79Å; K213-W221 HydrophobicContact CD-CG 4.42Å; T219-W221 HydrophobicContact CG2-CH2 3.67Å; T219-W221 HydrophobicContact CG2-CZ2 3.66Å; T219-W221 HydrophobicContact CG2-CZ3 4.14Å; T219-W221 VanDerWaalsContact O-CZ3 3.25Å; T219-W221 WeakPolarHBondContact O-CZ3 3.32Å; W221-L243 HydrophobicContact CH2-CD1 3.84Å; W221-L243 HydrophobicContact CZ2-CD1 4.47Å
222E88.1Confident87.4Confident186 Ų18667.6 Ų67.687%0.86935%0.345SS*.SBendtrans-82.3-24.5179.2-64.2-176.9172.100111.5
223E89.6Confident87.2Confident84 Ų8464.7 Ų64.739%0.39333%0.329SS..SBendtrans-82.8147.3174.973.3-152.9140.800111.3T210 A211T210-E223 WeakPolarHBondContact CB-OE1 3.42Å; T210-E223 HydrophobicContact CG2-CG 4.09Å; A211-E223 WeakPolarHBondContact CA-OE1 3.36Å; A211-E223 WeakPolarHBondContact CB-OE1 3.41Å; A211-E223 PolarHBondContact N-OE1 3.04Å
224G89.7Confident87Confident35 Ų3562.8 Ų62.836%0.36132%0.322SS..PPolyproline II helixtrans-98.6163.4169.700000111.9V177V177-G224 CarbonylContact O-C 3.56Å; V177-G224 WeakPolarHBondContact O-CA 3.37Å
225L93.9Very high87.1Confident3 Ų360.4 Ų60.42%0.01632%0.32CS..EExtended strand (participates in β ladder)trans-90.4138.3170-54.2173.6000109.2F176 V177 L180 V195 A208 Q209 T210 L241F176-L225 CarbonylContact C-O 3.51Å; F176-L225 WeakPolarHBondContact CA-O 3.5Å; V177-L225 HydrophobicContact CB-CB 4.04Å; V177-L225 HydrophobicContact CB-CD1 4.45Å; V177-L225 HydrophobicContact CG2-CB 4.33Å; V177-L225 PolarHBondContact N-O 2.76Å; V177-L225 PolarHBondContact O-N 2.71Å; L180-L225 HydrophobicContact CD1-CD1 4.28Å; L180-L225 HydrophobicContact CD1-CG 3.98Å; V195-L225 HydrophobicContact CG1-CD1 4.34Å; A208-L225 HydrophobicContact CB-CB 4.11Å; A208-L225 HydrophobicContact CB-CD2 4.1Å; Q209-L225 VanDerWaalsContact C-CD2 3.42Å; T210-L225 HydrophobicContact CG2-CD2 3.7Å; T210-L225 HydrophobicContact CG2-CG 4.29Å; L225-L241 HydrophobicContact CD1-CD2 4.28Å
226V93.8Very high87.4Confident61 Ų6164.2 Ų64.237%0.3735%0.347SS..EExtended strand (participates in β ladder)trans-116.1118.6174.6-171.10000107.9E174 F176E174-V226 HydrophobicContact CB-CG1 4.09Å; E174-V226 HydrophobicContact CG-CG1 4.15Å; F176-V226 HydrophobicContact CD1-CB 4.49Å; F176-V226 HydrophobicContact CD1-CG1 4.32Å; F176-V226 HydrophobicContact CD1-CG2 3.76Å; F176-V226 HydrophobicContact CE1-CB 4.27Å; F176-V226 HydrophobicContact CE1-CG1 3.79Å; F176-V226 HydrophobicContact CE1-CG2 3.56Å; F176-V226 HydrophobicContact CZ-CG1 4.05Å
227L91.9Very high87.7Confident0 Ų058.4 Ų58.40%032%0.321CS..EExtended strand (participates in β ladder)trans-122.7106.9-174.1-67.6162.5000108.8L175 V177 V199 V206 A208 L229 L239L175-L227 HydrophobicContact CB-CB 4.32Å; L175-L227 PolarHBondContact N-O 3.29Å; L175-L227 PolarHBondContact O-N 2.81Å; V177-L227 HydrophobicContact CG2-CD1 4.17Å; V199-L227 HydrophobicContact CG2-CB 4.41Å; V199-L227 HydrophobicContact CG2-CD1 3.95Å; V206-L227 HydrophobicContact CG1-CD2 4.5Å; A208-L227 HydrophobicContact CB-CD2 3.68Å; A208-L227 HydrophobicContact CB-CG 4.25Å; L227-L229 PolarHBondContact O-N 3.13Å; L227-L239 HydrophobicContact CD1-CD1 3.54Å
228P90.8Very high88.1Confident65 Ų6557.1 Ų57.142%0.42232%0.317SS..EExtended strand (participates in β ladder)trans-55.1122.5172.4-26.631.7000111.9V206V206-P228 HydrophobicContact CG1-CG 4.37Å
229L88.1Confident88.4Confident3 Ų353 Ų532%0.01630%0.297CS..  trans-153.5124.2-178.1-179.562.5000109.9Y168 A173 V199 L227 E233 L234 A237 L262Y168-L229 WeakPolarHBondContact CE2-O 3.28Å; Y168-L229 PolarHBondContact OH-O 3.34Å; A173-L229 CarbonylContact C-O 3.22Å; A173-L229 VanDerWaalsContact C-O 3.22Å; A173-L229 CarbonylContact O-C 3.51Å; A173-L229 PolarHBondContact O-N 2.8Å; V199-L229 HydrophobicContact CG1-CD1 3.84Å; V199-L229 HydrophobicContact CG1-CD2 4.14Å; L227-L229 PolarHBondContact O-N 3.13Å; L229-E233 HydrophobicContact CD1-CB 3.93Å; L229-L234 HydrophobicContact CD2-CD1 3.82Å; L229-A237 HydrophobicContact CD1-CB 3.94Å; L229-A237 HydrophobicContact CD2-CB 3.98Å; L229-L262 HydrophobicContact CD2-CD1 3.52Å
230A89.3Confident88.6Confident32 Ų3253.6 Ų53.626%0.26430%0.301SS..  trans-73.3147.8179.200000111.8E232 E233 L234A230-E232 WeakPolarHBondContact CB-OE2 3.39Å; A230-E232 PolarHBondContact O-N 2.84Å; A230-E233 HydrophobicContact CB-CG 4.34Å; A230-E233 PolarHBondContact O-N 2.73Å; A230-L234 PolarHBondContact O-N 2.84Å
231E86.7Confident88.8Confident81 Ų8150.8 Ų50.838%0.37928%0.284SS..THydrogen-bonded Turntrans-64.5-30.4-174.9-173.6168.8-17800111.7Y168 R170 E233 L234Y168-E231 HydrophobicContact CE1-CB 4.22Å; Y168-E231 HydrophobicContact CE1-CG 4.24Å; Y168-E231 VanDerWaalsContact OH-CA 3.24Å; Y168-E231 WeakPolarHBondContact OH-CA 3.16Å; Y168-E231 WeakPolarHBondContact OH-CB 3.46Å; Y168-E231 PolarHBondContact OH-N 3.42Å; R170-E231 IonicContact CZ-OE1 3.89Å; R170-E231 IonicContact NE-OE1 2.96Å; R170-E231 PolarHBondContact NE-OE1 3.27Å; R170-E231 IonicContact NH1-OE1 3.27Å; E231-E233 VanDerWaalsContact C-N 3.26Å; E231-E233 PolarHBondContact O-N 3.2Å; E231-L234 WeakPolarHBondContact O-CB 3.12Å; E231-L234 PolarHBondContact O-N 3.17Å
232E85.6Confident88.6Confident158 Ų15850.7 Ų50.774%0.73828%0.284SS*.THydrogen-bonded Turntrans-68.8-26.2177.4-5580.6-177.200112.6A230A230-E232 WeakPolarHBondContact CB-OE2 3.39Å; A230-E232 PolarHBondContact O-N 2.84Å
233E84.4Confident88.8Confident35 Ų3541.9 Ų41.916%0.16424%0.243CC..THydrogen-bonded Turntrans-91.2-20.1-178.4-63.1-178.5144.100112N201 R202 L229 A230 E231 P235 T236 A237N201-E233 WeakPolarHBondContact CB-OE2 3.35Å; R202-E233 WeakPolarHBondContact CB-OE1 3.3Å; R202-E233 PolarHBondContact N-OE1 3.05Å; L229-E233 HydrophobicContact CD1-CB 3.93Å; A230-E233 HydrophobicContact CB-CG 4.34Å; A230-E233 PolarHBondContact O-N 2.73Å; E231-E233 VanDerWaalsContact C-N 3.26Å; E231-E233 PolarHBondContact O-N 3.2Å; E233-P235 VanDerWaalsContact C-N 3.32Å; E233-T236 CarbonylContact O-C 3.52Å; E233-T236 PolarHBondContact O-N 3.16Å; E233-T236 PolarHBondContact O-OG1 2.91Å; E233-A237 VanDerWaalsContact O-CB 3.3Å; E233-A237 WeakPolarHBondContact O-CB 3.37Å; E233-A237 PolarHBondContact O-N 2.71Å
234L83.9Confident88.6Confident29 Ų2940.8 Ų40.815%0.15224%0.235CC..G310 helixtrans-45.2-47.9179.8-16388.3000112.9Y168 L229 A230 E231 T236 A237 L262Y168-L234 HydrophobicContact CD1-CD1 4.44Å; Y168-L234 HydrophobicContact CD2-CD1 3.72Å; Y168-L234 HydrophobicContact CE2-CD1 3.87Å; Y168-L234 HydrophobicContact CG-CD1 4.03Å; L229-L234 HydrophobicContact CD2-CD1 3.82Å; A230-L234 PolarHBondContact O-N 2.84Å; E231-L234 WeakPolarHBondContact O-CB 3.12Å; E231-L234 PolarHBondContact O-N 3.17Å; L234-T236 PolarHBondContact O-N 2.89Å; L234-A237 PolarHBondContact O-N 3.06Å; L234-L262 HydrophobicContact CG-CB 4.41Å; L234-L262 CarbonylContact O-C 3.56Å; L234-L262 VanDerWaalsContact O-C 3.31Å; L234-L262 WeakPolarHBondContact O-CB 3.25Å
235P84.3Confident88.3Confident80 Ų8039.7 Ų39.752%0.51922%0.222SC..G310 helixtrans-69.9-21.3-176.4-17.232.6000114.1E233E233-P235 VanDerWaalsContact C-N 3.32Å
236T83.5Confident87.6Confident117 Ų11740.2 Ų40.272%0.71823%0.225SC*.G310 helixtrans-104.2-10.9-177.954.10000113.1E233 L234E233-T236 CarbonylContact O-C 3.52Å; E233-T236 PolarHBondContact O-N 3.16Å; E233-T236 PolarHBondContact O-OG1 2.91Å; L234-T236 PolarHBondContact O-N 2.89Å
237A85.7Confident86.7Confident3 Ų339.3 Ų39.33%0.02522%0.219CC..  trans-78.8145.7-174.800000111.7V199 L229 E233 L234 L262V199-A237 HydrophobicContact CG1-CB 4Å; L229-A237 HydrophobicContact CD1-CB 3.94Å; L229-A237 HydrophobicContact CD2-CB 3.98Å; E233-A237 VanDerWaalsContact O-CB 3.3Å; E233-A237 WeakPolarHBondContact O-CB 3.37Å; E233-A237 PolarHBondContact O-N 2.71Å; L234-A237 PolarHBondContact O-N 3.06Å; A237-L262 HydrophobicContact CB-CB 4.41Å; A237-L262 HydrophobicContact CB-CD1 3.91Å; A237-L262 PolarHBondContact O-N 3.06Å
238T88.3Confident85.5Confident65 Ų6549.6 Ų49.640%0.39926%0.257SS..EExtended strand (participates in β ladder)trans-116.9122.8172.4-560000108.4C259 L260T238-C259 HydrophobicContact CG2-CB 4.3Å; T238-L260 CarbonylContact C-O 3.37Å; T238-L260 WeakPolarHBondContact CA-O 3.39Å
239L90.3Very high84.3Confident0 Ų053.6 Ų53.60%027%0.269CS..EExtended strand (participates in β ladder)trans-89124.5171172.567000109.1L166 L175 V177 V199 L227 L241 C259 L260 L262L166-L239 HydrophobicContact CD1-CD2 3.95Å; L166-L239 HydrophobicContact CD2-CD2 3.41Å; L166-L239 VanDerWaalsContact CD2-CD2 3.41Å; L166-L239 HydrophobicContact CG-CD2 4.36Å; L175-L239 HydrophobicContact CD2-CD1 4.27Å; L175-L239 HydrophobicContact CD2-CD2 4.15Å; V177-L239 HydrophobicContact CG2-CD1 4.41Å; V177-L239 HydrophobicContact CG2-CD2 4Å; V199-L239 HydrophobicContact CG2-CB 4.14Å; V199-L239 HydrophobicContact CG2-CD1 3.55Å; V199-L239 HydrophobicContact CG2-CG 4.46Å; L227-L239 HydrophobicContact CD1-CD1 3.54Å; L239-L241 HydrophobicContact CD1-CD2 4.02Å; L239-L241 HydrophobicContact CD2-CD1 4.43Å; L239-L241 HydrophobicContact CD2-CD2 4.17Å; L239-L241 HydrophobicContact CD2-CG 4.2Å; L239-L241 HydrophobicContact CG-CD2 4.15Å; L239-L241 HydrophobicContact CG-CG 4.17Å; L239-C259 CarbonylContact O-C 3.48Å; L239-C259 WeakPolarHBondContact O-CA 3.11Å; L239-L260 HydrophobicContact CB-CB 4.43Å; L239-L260 HydrophobicContact CD2-CD1 4.26Å; L239-L260 PolarHBondContact N-O 2.77Å; L239-L260 PolarHBondContact O-N 2.73Å; L239-L262 HydrophobicContact CB-CD1 4.2Å; L239-L262 HydrophobicContact CB-CD2 4.03Å; L239-L262 HydrophobicContact CB-CG 4.2Å
240T91.4Very high83.5Confident21 Ų2157.8 Ų57.813%0.12930%0.298CS..EExtended strand (participates in β ladder)trans-111.5115.6173.7-65.40000109.3G197 S198 E257 L258G197-T240 CarbonylContact C-O 3.59Å; G197-T240 WeakPolarHBondContact CA-O 3.01Å; S198-T240 PolarHBondContact N-O 3.23Å; S198-T240 PolarHBondContact O-N 3.01Å; S198-T240 WeakPolarHBondContact OG-CB 3.45Å; S198-T240 PolarHBondContact OG-O 2.86Å; T240-E257 HydrophobicContact CG2-CG 3.55Å; T240-E257 WeakPolarHBondContact CG2-OE1 3.3Å; T240-L258 CarbonylContact C-O 3.54Å; T240-L258 WeakPolarHBondContact CA-O 3.38Å
241L92.5Very high82.5Confident0 Ų063.1 Ų63.10%031%0.311CS..EExtended strand (participates in β ladder)trans-100.2117.9173.2-61.5179000109.6L162 Y164 V177 Q196 L225 L239 E257 L258 L260L162-L241 HydrophobicContact CD2-CB 3.8Å; L162-L241 HydrophobicContact CD2-CD1 3.87Å; L162-L241 HydrophobicContact CD2-CG 4.44Å; Y164-L241 HydrophobicContact CD1-CD1 4.21Å; Y164-L241 HydrophobicContact CD2-CD1 4.16Å; Y164-L241 HydrophobicContact CG-CD1 3.88Å; V177-L241 HydrophobicContact CG1-CD1 4.11Å; V177-L241 HydrophobicContact CG1-CD2 4.02Å; V177-L241 HydrophobicContact CG2-CD2 4.3Å; Q196-L241 CarbonylContact O-C 3.54Å; Q196-L241 WeakPolarHBondContact O-CA 3.46Å; L225-L241 HydrophobicContact CD1-CD2 4.28Å; L239-L241 HydrophobicContact CD1-CD2 4.02Å; L239-L241 HydrophobicContact CD2-CD1 4.43Å; L239-L241 HydrophobicContact CD2-CD2 4.17Å; L239-L241 HydrophobicContact CD2-CG 4.2Å; L239-L241 HydrophobicContact CG-CD2 4.15Å; L239-L241 HydrophobicContact CG-CG 4.17Å; L241-E257 CarbonylContact O-C 3.53Å; L241-E257 WeakPolarHBondContact O-CA 3.27Å; L241-L258 HydrophobicContact CB-CB 4.44Å; L241-L258 PolarHBondContact N-O 2.76Å; L241-L258 PolarHBondContact O-N 2.96Å; L241-L260 HydrophobicContact CD1-CD1 4.3Å
242T90.1Very high82Confident6 Ų664.2 Ų64.24%0.03732%0.316CS..EExtended strand (participates in β ladder)trans-116120-177.5-46.20000110.4V195 Q196 R244 V254 G256V195-T242 WeakPolarHBondContact CA-O 3.43Å; Q196-T242 PolarHBondContact N-O 2.83Å; Q196-T242 PolarHBondContact O-N 3.36Å; T242-R244 HydrophobicContact CG2-CG 3.96Å; T242-V254 HydrophobicContact CG2-CB 4.29Å; T242-V254 HydrophobicContact CG2-CG1 3.56Å; T242-V254 HydrophobicContact CG2-CG2 3.92Å; T242-G256 CarbonylContact C-O 3.38Å; T242-G256 WeakPolarHBondContact CA-O 3.38Å
243L90.6Very high81.5Confident1 Ų159.6 Ų59.61%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-81.3118.2166.8-178.667.3000108.7A182 T184 C193 V195 W221 A255 G256 L277A182-L243 HydrophobicContact CB-CD1 4.16Å; A182-L243 HydrophobicContact CB-CD2 4.25Å; T184-L243 HydrophobicContact CG2-CD2 3.66Å; C193-L243 HydrophobicContact CB-CD1 4.4Å; V195-L243 HydrophobicContact CG2-CD1 4.11Å; W221-L243 HydrophobicContact CH2-CD1 3.84Å; W221-L243 HydrophobicContact CZ2-CD1 4.47Å; L243-A255 HydrophobicContact CB-CB 4.46Å; L243-A255 HydrophobicContact CD2-CB 4.11Å; L243-A255 HydrophobicContact CG-CB 4.11Å; L243-A255 WeakPolarHBondContact O-CB 3.31Å; L243-A255 PolarHBondContact O-N 3.35Å; L243-G256 PolarHBondContact N-O 2.96Å; L243-G256 PolarHBondContact O-N 2.84Å; L243-L277 HydrophobicContact CB-CD1 3.56Å; L243-L277 HydrophobicContact CD2-CD1 3.82Å; L243-L277 HydrophobicContact CG-CD1 4.34Å
244R85.3Confident81.4Confident61 Ų6160.3 Ų60.323%0.2331%0.308CS..EExtended strand (participates in β ladder)trans-111145.6178.6-68.7-177.7179.4-98.15.9111.1C193 Y194 T242 S253C193-R244 WeakPolarHBondContact CA-O 3.3Å; C193-R244 VanDerWaalsContact CB-O 3.28Å; C193-R244 WeakPolarHBondContact CB-O 3.38Å; Y194-R244 HydrophobicContact CD1-CB 4.08Å; Y194-R244 HydrophobicContact CE1-CB 3.64Å; Y194-R244 HydrophobicContact CE2-CB 4.09Å; Y194-R244 HydrophobicContact CE2-CG 4.4Å; Y194-R244 VanDerWaalsContact CZ-CD 3.46Å; Y194-R244 PolarHBondContact N-O 2.89Å; Y194-R244 PolarHBondContact O-N 3.16Å; Y194-R244 WeakPolarHBondContact OH-CD 3.36Å; T242-R244 HydrophobicContact CG2-CG 3.96Å; R244-S253 CarbonylContact C-O 3.57Å; R244-S253 VanDerWaalsContact CA-O 3.3Å; R244-S253 WeakPolarHBondContact CA-O 3.44Å
245T84.8Confident81.2Confident13 Ų1360 Ų608%0.0831%0.31CS..EExtended strand (participates in β ladder)trans-114.4142173.448.80000110.6D192 C193 H252 S253 A255D192-T245 CarbonylContact O-C 3.59Å; D192-T245 WeakPolarHBondContact O-CA 3.39Å; C193-T245 HydrophobicContact CB-CG2 4.19Å; T245-H252 CarbonylContact O-C 3.57Å; T245-H252 WeakPolarHBondContact O-CA 3.32Å; T245-S253 PolarHBondContact N-O 3.02Å; T245-S253 PolarHBondContact O-N 3.41Å; T245-S253 PolarHBondContact OG1-OG 2.92Å; T245-A255 HydrophobicContact CG2-CB 4.01Å
246C78.8Confident81.2Confident13 Ų1356.2 Ų56.29%0.08829%0.285CS..EExtended strand (participates in β ladder)trans-112.4122.7175.6-1720000109.1C191 D192 L212 R251C191-C246 WeakPolarHBondContact CA-O 3.43Å; C191-C246 WeakPolarHBondContact CB-O 3.43Å; D192-C246 HydrophobicContact CB-CB 4.38Å; D192-C246 PolarHBondContact N-O 3.21Å; D192-C246 VanDerWaalsContact N-O 3.12Å; D192-C246 PolarHBondContact O-N 3.38Å; L212-C246 HydrophobicContact CD2-CB 4.28Å; C246-R251 WeakPolarHBondContact CA-O 3.46Å
247D73.9Confident81.5Confident43 Ų4354 Ų5423%0.2327%0.266CS..  trans-82.7175.5175.276.911000112.4F249 S250 R251D247-F249 PolarHBondContact O-N 2.97Å; D247-F249 VanDerWaalsContact OD1-C 3.31Å; D247-F249 VanDerWaalsContact OD1-CA 3.32Å; D247-F249 WeakPolarHBondContact OD1-CA 3.36Å; D247-F249 WeakPolarHBondContact OD1-CB 3.48Å; D247-F249 PolarHBondContact OD1-N 2.87Å; D247-S250 PolarHBondContact O-N 2.91Å; D247-S250 PolarHBondContact OD1-N 2.93Å; D247-R251 PolarHBondContact N-O 3.22Å; D247-R251 PolarHBondContact OD1-N 3.03Å; D247-R251 IonicContact OD2-CZ 3.59Å; D247-R251 IonicContact OD2-NE 3.76Å; D247-R251 PolarHBondContact OD2-NE 2.71Å; D247-R251 IonicContact OD2-NH2 3.45Å; D247-R251 PolarHBondContact OD2-NH2 3.38Å
248R67.1Low81.7Confident215 Ų21554.6 Ų54.681%0.81127%0.269SS*.THydrogen-bonded Turntrans-63.6-9.5179.4-62.3-178-176.3176.71.1114.3
249F66.9Low81.7Confident150 Ų15054.6 Ų54.666%0.65827%0.271SS*.THydrogen-bonded Turntrans-107.616.3177.5-55.3-79.3000111.5D247 R251D247-F249 PolarHBondContact O-N 2.97Å; D247-F249 VanDerWaalsContact OD1-C 3.31Å; D247-F249 VanDerWaalsContact OD1-CA 3.32Å; D247-F249 WeakPolarHBondContact OD1-CA 3.36Å; D247-F249 WeakPolarHBondContact OD1-CB 3.48Å; D247-F249 PolarHBondContact OD1-N 2.87Å; F249-R251 VanDerWaalsContact CD2-NH2 3.26Å; F249-R251 PolarHBondContact O-N 2.89Å
250S70.6Confident81.6Confident90 Ų9055.3 Ų55.363%0.62928%0.275SS*.  trans60.824.6-179.3-53.50000114.2D247 H252D247-S250 PolarHBondContact O-N 2.91Å; D247-S250 PolarHBondContact OD1-N 2.93Å; S250-H252 PolarHBondContact O-CD2 3.42Å
251R67.6Low81.4Confident144 Ų14455.3 Ų55.354%0.54328%0.279SS..  trans-86.7133.2172.6-66.4-175.1-64.7-102.9-4.1110.3C246 D247 F249C246-R251 WeakPolarHBondContact CA-O 3.46Å; D247-R251 PolarHBondContact N-O 3.22Å; D247-R251 PolarHBondContact OD1-N 3.03Å; D247-R251 IonicContact OD2-CZ 3.59Å; D247-R251 IonicContact OD2-NE 3.76Å; D247-R251 PolarHBondContact OD2-NE 2.71Å; D247-R251 IonicContact OD2-NH2 3.45Å; D247-R251 PolarHBondContact OD2-NH2 3.38Å; F249-R251 VanDerWaalsContact CD2-NH2 3.26Å; F249-R251 PolarHBondContact O-N 2.89Å
252H76.4Confident81Confident104 Ų10456 Ų5648%0.48128%0.283SS..EExtended strand (participates in β ladder)trans-93.4129.5178.1-58.4-96.1000110.4Y194 T245 S250Y194-H252 AromaticContact CE1-ND1 3.51Å; Y194-H252 AromaticContact CZ-ND1 3.83Å; Y194-H252 PolarHBondContact OH-ND1 3.07Å; T245-H252 CarbonylContact O-C 3.57Å; T245-H252 WeakPolarHBondContact O-CA 3.32Å; S250-H252 PolarHBondContact O-CD2 3.42Å
253S75.6Confident80.4Confident62 Ų6259.8 Ų59.843%0.43430%0.303SS..EExtended strand (participates in β ladder)trans-126.9149.8171.555.10000110.5R244 T245R244-S253 CarbonylContact C-O 3.57Å; R244-S253 VanDerWaalsContact CA-O 3.3Å; R244-S253 WeakPolarHBondContact CA-O 3.44Å; T245-S253 PolarHBondContact N-O 3.02Å; T245-S253 PolarHBondContact O-N 3.41Å; T245-S253 PolarHBondContact OG1-OG 2.92Å
254V82.1Confident79.3Confident50 Ų5062.6 Ų62.630%0.30333%0.332SS..EExtended strand (participates in β ladder)trans-82.7116.6175.7175.80000108.3T242T242-V254 HydrophobicContact CG2-CB 4.29Å; T242-V254 HydrophobicContact CG2-CG1 3.56Å; T242-V254 HydrophobicContact CG2-CG2 3.92Å
255A80.6Confident78.2Confident22 Ų2265.7 Ų65.718%0.18236%0.358CS..EExtended strand (participates in β ladder)trans-81.6-34.6173.100000111.1L243 T245 T279L243-A255 HydrophobicContact CB-CB 4.46Å; L243-A255 HydrophobicContact CD2-CB 4.11Å; L243-A255 HydrophobicContact CG-CB 4.11Å; L243-A255 WeakPolarHBondContact O-CB 3.31Å; L243-A255 PolarHBondContact O-N 3.35Å; T245-A255 HydrophobicContact CG2-CB 4.01Å; A255-T279 WeakPolarHBondContact O-CG2 3.33Å
256G84Confident77.2Confident0 Ų068 Ų680%038%0.375CS..EExtended strand (participates in β ladder)trans-177.7166.4171.800000113.4T242 L243 K278T242-G256 CarbonylContact C-O 3.38Å; T242-G256 WeakPolarHBondContact CA-O 3.38Å; L243-G256 PolarHBondContact N-O 2.96Å; L243-G256 PolarHBondContact O-N 2.84Å; G256-K278 CarbonylContact C-O 3.52Å; G256-K278 WeakPolarHBondContact CA-O 3.33Å
257E88.4Confident76.7Confident70 Ų7067.8 Ų67.833%0.32737%0.373SS..EExtended strand (participates in β ladder)trans-139.5139.6-170.1-174.4176.8-147.100110.6T240 L241 K278T240-E257 HydrophobicContact CG2-CG 3.55Å; T240-E257 WeakPolarHBondContact CG2-OE1 3.3Å; L241-E257 CarbonylContact O-C 3.53Å; L241-E257 WeakPolarHBondContact O-CA 3.27Å; E257-K278 PolarHBondContact N-O 3.18Å; E257-K278 WeakPolarHBondContact O-CA 3.32Å; E257-K278 WeakPolarHBondContact O-CB 3.49Å; E257-K278 PolarHBondContact O-N 3.08Å
258L90Very high76.9Confident17 Ų1769.2 Ų69.29%0.08939%0.385CS..EExtended strand (participates in β ladder)trans-129.5116.5176.617469.4000108.6Y164 T240 L241 L260 L277Y164-L258 HydrophobicContact CD1-CD2 3.99Å; Y164-L258 HydrophobicContact CE1-CD2 3.38Å; T240-L258 CarbonylContact C-O 3.54Å; T240-L258 WeakPolarHBondContact CA-O 3.38Å; L241-L258 HydrophobicContact CB-CB 4.44Å; L241-L258 PolarHBondContact N-O 2.76Å; L241-L258 PolarHBondContact O-N 2.96Å; L258-L260 HydrophobicContact CD1-CD2 3.85Å; L258-L260 HydrophobicContact CD2-CD1 4.12Å; L258-L260 HydrophobicContact CD2-CD2 4.05Å; L258-L260 HydrophobicContact CD2-CG 4.29Å; L258-L260 HydrophobicContact CG-CD1 4.33Å; L258-L260 HydrophobicContact CG-CD2 3.75Å; L258-L260 HydrophobicContact CG-CG 3.98Å; L258-L277 HydrophobicContact CB-CD2 3.65Å
259C89.1Confident77.6Confident65 Ų6563.3 Ų63.344%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-100.8128.4177-530000109.6T238 L239T238-C259 HydrophobicContact CG2-CB 4.3Å; L239-C259 CarbonylContact O-C 3.48Å; L239-C259 WeakPolarHBondContact O-CA 3.11Å
260L87.7Confident78.2Confident14 Ų1458.6 Ų58.67%0.07336%0.362CS..EExtended strand (participates in β ladder)trans-128.4129.1-175-55.4172.6000109.2Y164 L166 T238 L239 L241 L258 V267Y164-L260 HydrophobicContact CD2-CD1 4.21Å; Y164-L260 HydrophobicContact CE1-CD1 4.32Å; Y164-L260 HydrophobicContact CE2-CD1 3.39Å; Y164-L260 VanDerWaalsContact CZ-CD1 3.46Å; Y164-L260 WeakPolarHBondContact OH-CD1 3.35Å; Y164-L260 WeakPolarHBondContact OH-CD2 3.35Å; L166-L260 HydrophobicContact CD1-CD1 4.24Å; T238-L260 CarbonylContact C-O 3.37Å; T238-L260 WeakPolarHBondContact CA-O 3.39Å; L239-L260 HydrophobicContact CB-CB 4.43Å; L239-L260 HydrophobicContact CD2-CD1 4.26Å; L239-L260 PolarHBondContact N-O 2.77Å; L239-L260 PolarHBondContact O-N 2.73Å; L241-L260 HydrophobicContact CD1-CD1 4.3Å; L258-L260 HydrophobicContact CD1-CD2 3.85Å; L258-L260 HydrophobicContact CD2-CD1 4.12Å; L258-L260 HydrophobicContact CD2-CD2 4.05Å; L258-L260 HydrophobicContact CD2-CG 4.29Å; L258-L260 HydrophobicContact CG-CD1 4.33Å; L258-L260 HydrophobicContact CG-CD2 3.75Å; L258-L260 HydrophobicContact CG-CG 3.98Å; L260-V267 HydrophobicContact CB-CG2 3.94Å; L260-V267 HydrophobicContact CD1-CG2 4.21Å; L260-V267 HydrophobicContact CD2-CG2 3.73Å; L260-V267 HydrophobicContact CG-CG2 4.15Å
261G87Confident78.9Confident22 Ų2256.2 Ų56.223%0.22735%0.348CS..EExtended strand (participates in β ladder)trans-80.9129.8172.800000110.5D263 S266G261-D263 PolarHBondContact O-N 3.16Å; G261-S266 WeakPolarHBondContact CA-OG 3.45Å; G261-S266 PolarHBondContact N-OG 3.46Å; G261-S266 PolarHBondContact O-OG 3.37Å
262L84.3Confident79.9Confident14 Ų1451.9 Ų51.97%0.07334%0.343CS..  trans-86.917.5-179.1-60.9178.2000113L166 L175 L229 L234 A237 L239 G264L166-L262 HydrophobicContact CD1-CD2 4.04Å; L175-L262 HydrophobicContact CD2-CD1 3.73Å; L175-L262 HydrophobicContact CD2-CD2 4.31Å; L229-L262 HydrophobicContact CD2-CD1 3.52Å; L234-L262 HydrophobicContact CG-CB 4.41Å; L234-L262 CarbonylContact O-C 3.56Å; L234-L262 VanDerWaalsContact O-C 3.31Å; L234-L262 WeakPolarHBondContact O-CB 3.25Å; A237-L262 HydrophobicContact CB-CB 4.41Å; A237-L262 HydrophobicContact CB-CD1 3.91Å; A237-L262 PolarHBondContact O-N 3.06Å; L239-L262 HydrophobicContact CB-CD1 4.2Å; L239-L262 HydrophobicContact CB-CD2 4.03Å; L239-L262 HydrophobicContact CB-CG 4.2Å; L262-G264 PolarHBondContact O-N 3Å; L262-G264 VanDerWaalsContact O-N 3.08Å
263D77.5Confident80.5Confident85 Ų8549.3 Ų49.346%0.45533%0.331SS..SBendtrans-69.52.6179.768.1-0000115.4G261 T265 S266G261-D263 PolarHBondContact O-N 3.16Å; D263-T265 PolarHBondContact O-N 3.42Å; D263-T265 VanDerWaalsContact O-N 3.17Å; D263-T265 PolarHBondContact OD1-N 2.94Å; D263-S266 PolarHBondContact OD1-N 3.48Å; D263-S266 VanDerWaalsContact OD1-N 3.09Å
264G67.6Low81.2Confident60 Ų6052 Ų5262%0.61933%0.332SS*.SBendtrans73.6-5.6-177.900000114.9L262L262-G264 PolarHBondContact O-N 3Å; L262-G264 VanDerWaalsContact O-N 3.08Å
265T63Low81.4Confident126 Ų12650 Ų5077%0.77332%0.322SS*.SBendtrans-95.6-34.7177.8-51.90000110.9D263D263-T265 PolarHBondContact O-N 3.42Å; D263-T265 VanDerWaalsContact O-N 3.17Å; D263-T265 PolarHBondContact OD1-N 2.94Å
266S62.9Low81.7Confident62 Ų6254.9 Ų54.943%0.43434%0.34SS..SBendtrans-84.1-28.5-174.492.30000114.3G261 D263G261-S266 WeakPolarHBondContact CA-OG 3.45Å; G261-S266 PolarHBondContact N-OG 3.46Å; G261-S266 PolarHBondContact O-OG 3.37Å; D263-S266 PolarHBondContact OD1-N 3.48Å; D263-S266 VanDerWaalsContact OD1-N 3.09Å
267V69.5Low81.8Confident8 Ų854.9 Ų54.95%0.04834%0.341CS..SBendtrans-147.6127-178-173.70000111.1Y164 L166 L260Y164-V267 HydrophobicContact CE2-CG1 4.08Å; L166-V267 HydrophobicContact CD1-CB 4.29Å; L166-V267 HydrophobicContact CD1-CG1 3.75Å; L166-V267 HydrophobicContact CG-CG1 4.38Å; L260-V267 HydrophobicContact CB-CG2 3.94Å; L260-V267 HydrophobicContact CD1-CG2 4.21Å; L260-V267 HydrophobicContact CD2-CG2 3.73Å; L260-V267 HydrophobicContact CG-CG2 4.15Å
268P77.4Confident81.5Confident74 Ų7459 Ų5948%0.48136%0.357SS..  trans-71.2132.417227.2-33.7000111.8A271P268-A271 HydrophobicContact CB-CB 4.33Å; P268-A271 HydrophobicContact CG-CB 4.09Å
269L81.4Confident80.5Confident91 Ų9161.6 Ų61.648%0.47637%0.374SS..THydrogen-bonded Turntrans-72.6143169.9-66.9169.6000110.6L166 A271L166-L269 HydrophobicContact CB-CD2 3.92Å; L166-L269 CarbonylContact O-C 3.56Å; L166-L269 WeakPolarHBondContact O-CA 3.47Å; L269-A271 VanDerWaalsContact C-N 3.3Å; L269-A271 PolarHBondContact O-N 3.43Å
270G80.4Confident78.5Confident50 Ų5061.8 Ų61.852%0.51538%0.376SS..THydrogen-bonded Turntrans78.82.9178.500000115.7L166 D167L166-G270 PolarHBondContact O-N 2.93Å; D167-G270 VanDerWaalsContact OD1-CA 3.3Å; D167-G270 WeakPolarHBondContact OD1-CA 3.36Å
271A85.1Confident76.5Confident41 Ų4163.9 Ų63.934%0.33940%0.395SS..  trans-115.3122178.300000111.3P268 L269 Q273P268-A271 HydrophobicContact CB-CB 4.33Å; P268-A271 HydrophobicContact CG-CB 4.09Å; L269-A271 VanDerWaalsContact C-N 3.3Å; L269-A271 PolarHBondContact O-N 3.43Å; A271-Q273 PolarHBondContact O-NE2 3.2Å
272A87.1Confident74Confident53 Ų5371.8 Ų71.844%0.43842%0.423SS..  trans-70.7133173.100000110.4Y164 C165Y164-A272 WeakPolarHBondContact O-CA 3.43Å; C165-A272 HydrophobicContact CB-CB 4.07Å
273Q89.4Confident71.5Confident50 Ų5078.7 Ų78.723%0.23446%0.455CS..EExtended strand (participates in β ladder)trans-149.9160.8-176.369.8-164.7-89.300112.6H163 Y164 A271H163-Q273 VanDerWaalsContact CA-O 3.31Å; H163-Q273 WeakPolarHBondContact CA-O 3.33Å; H163-Q273 VanDerWaalsContact CD2-C 3.46Å; H163-Q273 PolarHBondContact CD2-O 3Å; H163-Q273 VanDerWaalsContact CD2-O 3.27Å; Y164-Q273 HydrophobicContact CE1-CG 4.02Å; Y164-Q273 HydrophobicContact CE2-CG 3.97Å; Y164-Q273 PolarHBondContact N-O 3.2Å; Y164-Q273 PolarHBondContact O-N 2.68Å; A271-Q273 PolarHBondContact O-NE2 3.2Å
274W90.5Very high69.7Low119 Ų11978.8 Ų78.845%0.45146%0.461SS..EExtended strand (participates in β ladder)trans-96123.4176.8-73.393.2000110.8K161 H163 E181 V183K161-W274 HydrophobicContact CB-CE3 3.71Å; K161-W274 HydrophobicContact CB-CZ3 3.94Å; H163-W274 HydrophobicContact CB-CD2 3.79Å; H163-W274 HydrophobicContact CB-CE3 3.74Å; H163-W274 HydrophobicContact CB-CH2 3.75Å; H163-W274 HydrophobicContact CB-CZ2 3.76Å; H163-W274 HydrophobicContact CB-CZ3 3.73Å; H163-W274 AromaticContact CD2-CD1 3.6Å; H163-W274 AromaticContact CD2-CD2 3.93Å; H163-W274 AromaticContact CD2-CE2 3.67Å; H163-W274 AromaticContact CD2-CG 3.92Å; H163-W274 AromaticContact CD2-NE1 3.42Å; H163-W274 PolarHBondContact CD2-NE1 2.83Å; H163-W274 AromaticContact CG-CE2 3.87Å; E181-W274 HydrophobicContact CG-CH2 4.03Å; E181-W274 WeakPolarHBondContact OE1-CH2 3.19Å; E181-W274 VanDerWaalsContact OE1-CZ2 3.3Å; E181-W274 WeakPolarHBondContact OE1-CZ2 3.49Å; V183-W274 HydrophobicContact CB-CZ3 4.33Å; V183-W274 HydrophobicContact CG2-CH2 3.54Å; V183-W274 HydrophobicContact CG2-CZ3 3.77Å
275G86.8Confident68.3Low8 Ų879.6 Ų79.68%0.08246%0.457CS..EExtended strand (participates in β ladder)trans-105.8136.5167.400000111K161 L162K161-G275 CarbonylContact C-O 3.56Å; K161-G275 WeakPolarHBondContact CA-O 3.4Å; L162-G275 PolarHBondContact N-O 2.86Å; L162-G275 PolarHBondContact O-N 3.45Å
276E87.7Confident67.6Low123 Ų12376.8 Ų76.858%0.57545%0.447SS*.EExtended strand (participates in β ladder)trans-78.4120.2169.5-168.3167.8-158.700108.8A159 K278A159-E276 HydrophobicContact CB-CG 3.75Å; A159-E276 WeakPolarHBondContact CB-OE1 3.29Å; E276-K278 PolarHBondContact O-N 3.33Å
277L85.3Confident67.2Low1 Ų174.6 Ų74.61%0.00543%0.434CS..  trans-74.3122.5177.3-60.7176000108.1P160 L162 L243 L258 T279P160-L277 HydrophobicContact CB-CD1 4.12Å; P160-L277 HydrophobicContact CG-CB 4.11Å; P160-L277 HydrophobicContact CG-CD1 4.25Å; P160-L277 WeakPolarHBondContact O-CA 3.22Å; P160-L277 WeakPolarHBondContact O-CB 3.42Å; P160-L277 WeakPolarHBondContact O-CG 3.4Å; P160-L277 PolarHBondContact O-N 3.28Å; L162-L277 HydrophobicContact CB-CD1 4.16Å; L162-L277 HydrophobicContact CB-CD2 3.65Å; L162-L277 HydrophobicContact CB-CG 3.9Å; L162-L277 HydrophobicContact CD2-CD2 4.05Å; L162-L277 HydrophobicContact CG-CD2 4.49Å; L243-L277 HydrophobicContact CB-CD1 3.56Å; L243-L277 HydrophobicContact CD2-CD1 3.82Å; L243-L277 HydrophobicContact CG-CD1 4.34Å; L258-L277 HydrophobicContact CB-CD2 3.65Å; L277-T279 PolarHBondContact O-N 3.11Å
278K81.5Confident67.2Low155 Ų15574.2 Ų74.267%0.67443%0.431SS*.BIsolated β-bridgetrans-67.8108.2166.9-63.2-179.9-177.9174.80106.1G256 E257 E276 S280G256-K278 CarbonylContact C-O 3.52Å; G256-K278 WeakPolarHBondContact CA-O 3.33Å; E257-K278 PolarHBondContact N-O 3.18Å; E257-K278 WeakPolarHBondContact O-CA 3.32Å; E257-K278 WeakPolarHBondContact O-CB 3.49Å; E257-K278 PolarHBondContact O-N 3.08Å; E276-K278 PolarHBondContact O-N 3.33Å; K278-S280 PolarHBondContact O-N 3.3Å
279T68.4Low67.4Low73 Ų7370.9 Ų70.945%0.44841%0.411SS..  trans-59.8121.4170.658.10000106.7P160 A255 L277 A281P160-T279 VanDerWaalsContact CD-CG2 3.49Å; P160-T279 HydrophobicContact CG-CG2 3.84Å; A255-T279 WeakPolarHBondContact O-CG2 3.33Å; L277-T279 PolarHBondContact O-N 3.11Å; T279-A281 PolarHBondContact O-N 3.39Å
280S47.9Very low67.7Low69 Ų6968.9 Ų68.948%0.48340%0.399SS..  trans-65.667.9157.3-175.60000106.7K278 K282K278-S280 PolarHBondContact O-N 3.3Å; S280-K282 VanDerWaalsContact C-N 3.32Å; S280-K282 PolarHBondContact O-N 3.19Å
281A44.9Very low68.2Low57 Ų5766.6 Ų66.647%0.47137%0.374SS..  -49.5120.7129.400000102.6T279 E283T279-A281 PolarHBondContact O-N 3.39Å; A281-E283 VanDerWaalsContact C-N 3.34Å; A281-E283 PolarHBondContact O-N 3.43Å
282K36.4Very low68.6Low188 Ų18865.7 Ų65.782%0.81736%0.364SS*.  trans-30.7117.9140.5-94.1179.1168.5-179.50105S280 P284S280-K282 VanDerWaalsContact C-N 3.32Å; S280-K282 PolarHBondContact O-N 3.19Å; K282-P284 WeakPolarHBondContact O-CA 3.42Å
283E30.9Very low69Low160 Ų16063.1 Ų63.175%0.74834%0.343SS*.  trans-20.5109166-120.1-65.8149.400106.3A281 S285A281-E283 VanDerWaalsContact C-N 3.34Å; A281-E283 PolarHBondContact O-N 3.43Å; E283-S285 WeakPolarHBondContact O-CA 3.43Å; E283-S285 PolarHBondContact O-N 3.12Å
284P40Very low69.3Low87 Ų8760.8 Ų60.857%0.56533%0.332SS*.  trans-55.6104.5-170.721.3-30.1000103.2K282 A286K282-P284 WeakPolarHBondContact O-CA 3.42Å; P284-A286 PolarHBondContact O-N 3.22Å
285S37.3Very low69.6Low76 Ų7655.2 Ų55.253%0.53131%0.311SS..  trans-74.179.9-166.355.30000105E283 G287E283-S285 WeakPolarHBondContact O-CA 3.43Å; E283-S285 PolarHBondContact O-N 3.12Å; S285-G287 WeakPolarHBondContact O-CA 3.34Å; S285-G287 PolarHBondContact O-N 3.07Å
286A49.1Very low70.1Confident68 Ų6855 Ų5556%0.56231%0.309SS*.SBendtrans34.441.9-171.200000113.1P284P284-A286 PolarHBondContact O-N 3.22Å
287G54Low70.5Confident16 Ų1649.4 Ų49.417%0.16528%0.282CS..EExtended strand (participates in β ladder)trans-101.2120.6-162.200000111.4S285 G289 L424S285-G287 WeakPolarHBondContact O-CA 3.34Å; S285-G287 PolarHBondContact O-N 3.07Å; G287-G289 PolarHBondContact O-N 2.86Å; G287-L424 CarbonylContact C-O 3.57Å; G287-L424 VanDerWaalsContact CA-O 3.3Å; G287-L424 WeakPolarHBondContact CA-O 3.43Å
288A69.8Low71Confident0 Ų051.9 Ų51.90%030%0.295CS..EExtended strand (participates in β ladder)trans-71.412179.500000115.5L314 L390 L424 L426A288-L314 WeakPolarHBondContact O-CD2 3.33Å; A288-L390 WeakPolarHBondContact CB-O 3.42Å; A288-L424 HydrophobicContact CB-CB 3.73Å; A288-L424 PolarHBondContact N-O 3.47Å; A288-L426 HydrophobicContact CB-CD2 4.12Å; A288-L426 HydrophobicContact CB-CG 4.06Å
289G81.5Confident71.6Confident4 Ų446.5 Ų46.54%0.04128%0.276CS..EExtended strand (participates in β ladder)trans109.3-170.6-171.300000113.7G287 N313 Q423 L424G287-G289 PolarHBondContact O-N 2.86Å; G289-N313 WeakPolarHBondContact CA-O 3.29Å; G289-Q423 PolarHBondContact O-NE2 3.49Å; G289-L424 VanDerWaalsContact O-CB 3.29Å; G289-L424 WeakPolarHBondContact O-CB 3.48Å; G289-L424 PolarHBondContact O-N 3.43Å
290E87.6Confident72.8Confident49 Ų4948.3 Ų48.323%0.22930%0.298CS..EExtended strand (participates in β ladder)trans-127.7143.8-179.2-65.3178.9114.400111.1A311 K312 W421 H422 Q423E290-A311 CarbonylContact O-C 3.56Å; E290-A311 WeakPolarHBondContact O-CA 3.42Å; E290-A311 WeakPolarHBondContact O-CB 3.46Å; E290-K312 HydrophobicContact CB-CG 4.22Å; E290-K312 PolarHBondContact N-O 3.2Å; E290-K312 PolarHBondContact O-N 3.28Å; E290-K312 WeakPolarHBondContact OE2-CE 3.45Å; E290-K312 IonicContact OE2-NZ 2.71Å; E290-K312 PolarHBondContact OE2-NZ 2.87Å; E290-W421 HydrophobicContact CB-CE3 3.95Å; E290-W421 HydrophobicContact CB-CZ3 4.27Å; E290-H422 CarbonylContact C-O 3.54Å; E290-H422 VanDerWaalsContact CA-O 3.31Å; E290-H422 WeakPolarHBondContact CA-O 3.33Å; E290-Q423 VanDerWaalsContact CG-OE1 3.31Å
291V91Very high75.1Confident1 Ų147.3 Ų47.31%0.00629%0.294CS..EExtended strand (participates in β ladder)trans-120.8133.3177.663.30000111.2L293 L308 A311 W421 H422 L424V291-L293 HydrophobicContact CG1-CD2 4.16Å; V291-L308 HydrophobicContact CG2-CD1 4.22Å; V291-A311 HydrophobicContact CB-CB 4.43Å; V291-A311 HydrophobicContact CG2-CB 4.47Å; V291-W421 CarbonylContact O-C 3.47Å; V291-W421 WeakPolarHBondContact O-CA 3.19Å; V291-H422 HydrophobicContact CG1-CB 4.31Å; V291-H422 PolarHBondContact N-O 2.79Å; V291-H422 PolarHBondContact O-N 2.7Å; V291-L424 HydrophobicContact CB-CD2 4.26Å; V291-L424 HydrophobicContact CB-CG 4.49Å; V291-L424 HydrophobicContact CG1-CD2 3.75Å; V291-L424 HydrophobicContact CG1-CG 4.28Å
292L93Very high77.5Confident22 Ų2247.9 Ų47.912%0.11529%0.289CS..EExtended strand (participates in β ladder)trans-98.2118.717018060.9000109I309 K310 A419 M420 W421L292-I309 HydrophobicContact CB-CB 4.49Å; L292-I309 HydrophobicContact CD2-CB 4.22Å; L292-I309 HydrophobicContact CD2-CD1 4.25Å; L292-I309 HydrophobicContact CD2-CG2 4.02Å; L292-I309 HydrophobicContact CG-CB 4.11Å; L292-I309 HydrophobicContact CG-CD1 4.08Å; L292-I309 HydrophobicContact CG-CG2 4.47Å; L292-I309 WeakPolarHBondContact O-CB 3.42Å; L292-I309 PolarHBondContact O-N 2.89Å; L292-I309 VanDerWaalsContact O-N 3.08Å; L292-K310 HydrophobicContact CB-CG 4.08Å; L292-K310 HydrophobicContact CD2-CG 4.14Å; L292-K310 PolarHBondContact N-O 2.63Å; L292-K310 PolarHBondContact O-N 2.59Å; L292-A419 HydrophobicContact CD1-CB 4.41Å; L292-M420 WeakPolarHBondContact CD1-O 2.91Å; L292-W421 HydrophobicContact CB-CD2 3.79Å; L292-W421 HydrophobicContact CB-CE3 3.7Å; L292-W421 HydrophobicContact CB-CH2 3.8Å; L292-W421 HydrophobicContact CB-CZ2 3.88Å; L292-W421 HydrophobicContact CB-CZ3 3.69Å; L292-W421 HydrophobicContact CD1-CD2 4.19Å; L292-W421 HydrophobicContact CD1-CG 4.16Å; L292-W421 HydrophobicContact CD2-CZ2 4Å; L292-W421 HydrophobicContact CG-CD2 4.44Å; L292-W421 HydrophobicContact CG-CZ2 4.42Å
293L95.5Very high80.3Confident0 Ų043.4 Ų43.40%027%0.267CS..EExtended strand (participates in β ladder)trans-136.5160.6175.370.3103.6000110.3V291 I295 V306 V307 L308 L376 L395 H406 A419 M420 H422V291-L293 HydrophobicContact CG1-CD2 4.16Å; L293-I295 HydrophobicContact CD1-CG2 3.73Å; L293-V306 HydrophobicContact CD1-CG1 4.26Å; L293-V307 CarbonylContact C-O 3.58Å; L293-V307 VanDerWaalsContact CA-O 3.26Å; L293-V307 WeakPolarHBondContact CA-O 3.38Å; L293-L308 HydrophobicContact CB-CD1 4.4Å; L293-L376 HydrophobicContact CD2-CD1 3.77Å; L293-L376 HydrophobicContact CD2-CD2 3.8Å; L293-L376 HydrophobicContact CD2-CG 4.45Å; L293-L395 HydrophobicContact CD1-CD1 4.35Å; L293-L395 HydrophobicContact CD1-CD2 3.97Å; L293-L395 HydrophobicContact CD2-CD1 4.11Å; L293-H406 PolarHBondContact O-CE1 2.78Å; L293-A419 WeakPolarHBondContact O-CA 3.45Å; L293-M420 PolarHBondContact N-O 3.08Å; L293-M420 PolarHBondContact O-N 2.68Å; L293-H422 VanDerWaalsContact CD2-CD2 3.49Å; L293-H422 WeakPolarHBondContact CD2-CD2 3.35Å
294S95.9Very high83.5Confident1 Ų135.8 Ų35.81%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-126.2142.1172.874.80000112.1V306 V307 Q417 I418S294-V306 CarbonylContact O-C 3.57Å; S294-V306 WeakPolarHBondContact O-CA 3.37Å; S294-V307 PolarHBondContact N-O 3.33Å; S294-V307 PolarHBondContact O-N 3.39Å; S294-V307 VanDerWaalsContact OG-CB 3.32Å; S294-V307 WeakPolarHBondContact OG-CB 3.37Å; S294-Q417 WeakPolarHBondContact OG-CG 3.31Å; S294-Q417 PolarHBondContact OG-NE2 3.05Å; S294-I418 CarbonylContact C-O 3.54Å; S294-I418 WeakPolarHBondContact CA-O 3.47Å; S294-I418 WeakPolarHBondContact CB-O 3.46Å
295I96.8Very high86.2Confident1 Ų132.8 Ų32.81%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-120.1147175.657.1176.9000111.5L293 L305 V306 L395 H406 W407 M410 I418L293-I295 HydrophobicContact CD1-CG2 3.73Å; I295-L305 VanDerWaalsContact CA-O 3.3Å; I295-L305 WeakPolarHBondContact CA-O 3.06Å; I295-V306 HydrophobicContact CG2-CG1 4.2Å; I295-V306 HydrophobicContact CG2-CG2 4.19Å; I295-L395 HydrophobicContact CD1-CD2 4.23Å; I295-H406 WeakPolarHBondContact CG1-NE2 3.38Å; I295-W407 HydrophobicContact CD1-CE3 3.92Å; I295-M410 HydrophobicContact CB-CG 4.47Å; I295-M410 HydrophobicContact CB-SD 3.84Å; I295-M410 HydrophobicContact CD1-CB 3.77Å; I295-M410 HydrophobicContact CD1-CE 4.48Å; I295-M410 HydrophobicContact CD1-CG 4.21Å; I295-M410 HydrophobicContact CD1-SD 3.76Å; I295-M410 HydrophobicContact CG1-CB 3.91Å; I295-M410 HydrophobicContact CG1-CG 4.1Å; I295-M410 HydrophobicContact CG1-SD 3.89Å; I295-I418 PolarHBondContact N-O 3.06Å; I295-I418 PolarHBondContact O-N 2.94Å
296S96.6Very high89.1Confident5 Ų529.1 Ų29.14%0.03519%0.185CC..EExtended strand (participates in β ladder)trans-149.5138.7173.9179.80000109L305 R415 R416S296-L305 PolarHBondContact N-O 3.04Å; S296-L305 PolarHBondContact O-N 2.83Å; S296-R415 PolarHBondContact OG-O 3.45Å; S296-R416 PolarHBondContact OG-O 2.82Å
297Y97.3Very high91.3Very high5 Ų526.7 Ų26.72%0.0216%0.163CC..EExtended strand (participates in β ladder)trans-111.2135.6173.2-174-107.3000110.9P299 N302 R303 L304 L364 D366 L369 R415Y297-P299 HydrophobicContact CD1-CB 4.38Å; Y297-P299 HydrophobicContact CD1-CG 3.74Å; Y297-P299 VanDerWaalsContact CE1-CA 3.49Å; Y297-P299 HydrophobicContact CE1-CB 3.92Å; Y297-P299 HydrophobicContact CE1-CG 3.78Å; Y297-P299 WeakPolarHBondContact O-CD 3.2Å; Y297-N302 PolarHBondContact OH-OD1 3Å; Y297-R303 WeakPolarHBondContact CD2-O 3.33Å; Y297-L304 HydrophobicContact CD2-CB 4.17Å; Y297-L304 HydrophobicContact CD2-CD1 4.38Å; Y297-L364 WeakPolarHBondContact CE2-O 3.22Å; Y297-L364 PolarHBondContact OH-O 2.89Å; Y297-D366 HydrophobicContact CE1-CB 4.42Å; Y297-D366 VanDerWaalsContact CE1-OD1 3.29Å; Y297-D366 WeakPolarHBondContact CE1-OD1 3.37Å; Y297-D366 WeakPolarHBondContact OH-CA 3.34Å; Y297-D366 PolarHBondContact OH-N 3.24Å; Y297-L369 HydrophobicContact CD1-CD2 3.47Å; Y297-L369 VanDerWaalsContact CD1-CD2 3.47Å; Y297-L369 HydrophobicContact CD2-CD1 3.75Å; Y297-L369 HydrophobicContact CD2-CD2 3.99Å; Y297-L369 HydrophobicContact CE1-CD2 3.64Å; Y297-L369 HydrophobicContact CE2-CD1 3.97Å; Y297-L369 HydrophobicContact CE2-CD2 4.15Å; Y297-L369 HydrophobicContact CG-CD1 4.16Å; Y297-L369 HydrophobicContact CG-CD2 3.66Å; Y297-R415 WeakPolarHBondContact O-CA 3.28Å; Y297-R415 PolarHBondContact O-N 3.3Å
298L96.2Very high93.3Very high52 Ų5226 Ų2627%0.27216%0.156SC..EExtended strand (participates in β ladder)trans-112.393.1177.3-60.6-179.2000109.5A300 A301 N302 R303 L305 R415L298-A300 PolarHBondContact O-N 2.93Å; L298-A301 HydrophobicContact CB-CB 4.38Å; L298-A301 PolarHBondContact O-N 3.05Å; L298-N302 PolarHBondContact O-N 3.45Å; L298-R303 HydrophobicContact CB-CB 4.32Å; L298-R303 PolarHBondContact N-O 3.18Å; L298-R303 PolarHBondContact O-N 3.4Å; L298-L305 HydrophobicContact CD1-CD1 3.91Å; L298-L305 HydrophobicContact CD1-CG 4.4Å; L298-L305 HydrophobicContact CG-CD1 4.23Å; L298-R415 HydrophobicContact CD2-CB 4.08Å; L298-R415 HydrophobicContact CD2-CG 3.89Å
299P94.2Very high94.3Very high43 Ų4327.8 Ų27.828%0.27917%0.165SC..G310 helixtrans-59.6-43.6-175.8-23.330.6000113.4Y297 A301 N302 P414Y297-P299 HydrophobicContact CD1-CB 4.38Å; Y297-P299 HydrophobicContact CD1-CG 3.74Å; Y297-P299 VanDerWaalsContact CE1-CA 3.49Å; Y297-P299 HydrophobicContact CE1-CB 3.92Å; Y297-P299 HydrophobicContact CE1-CG 3.78Å; Y297-P299 WeakPolarHBondContact O-CD 3.2Å; P299-A301 PolarHBondContact O-N 3.37Å; P299-A301 VanDerWaalsContact O-N 3.07Å; P299-N302 PolarHBondContact O-N 3.42Å; P299-N302 PolarHBondContact O-OD1 2.91Å; P299-P414 HydrophobicContact CG-CB 3.98Å
300A93.6Very high94.7Very high110 Ų11031.9 Ų31.991%0.90918%0.182SC*.G310 helixtrans-60.7-24.8-178.400000113.7L298L298-A300 PolarHBondContact O-N 2.93Å
301A94.9Very high94.7Very high48 Ų4829.7 Ų29.740%0.39717%0.172SC..G310 helixtrans-109.30.1179.900000113L298 P299 R303L298-A301 HydrophobicContact CB-CB 4.38Å; L298-A301 PolarHBondContact O-N 3.05Å; P299-A301 PolarHBondContact O-N 3.37Å; P299-A301 VanDerWaalsContact O-N 3.07Å; A301-R303 VanDerWaalsContact C-N 3.29Å; A301-R303 HydrophobicContact CB-CB 4.37Å; A301-R303 HydrophobicContact CB-CG 4.17Å; A301-R303 WeakPolarHBondContact O-CG 3.36Å; A301-R303 PolarHBondContact O-N 2.88Å
302N96Very high94.2Very high70 Ų7033 Ų3337%0.37419%0.186SC..THydrogen-bonded Turntrans47.950-171.2-69.2-49.2000112.2Y297 L298 P299 E363 L364 D366Y297-N302 PolarHBondContact OH-OD1 3Å; L298-N302 PolarHBondContact O-N 3.45Å; P299-N302 PolarHBondContact O-N 3.42Å; P299-N302 PolarHBondContact O-OD1 2.91Å; N302-E363 CarbonylContact O-C 3.55Å; N302-E363 WeakPolarHBondContact O-CA 3.38Å; N302-L364 CarbonylContact C-O 3.58Å; N302-L364 VanDerWaalsContact C-O 3.31Å; N302-L364 WeakPolarHBondContact CA-O 3.28Å; N302-L364 CarbonylContact O-C 3.58Å; N302-L364 PolarHBondContact O-N 3.25Å; N302-D366 PolarHBondContact OD1-N 3.17Å
303R96.1Very high93.4Very high94 Ų9435.8 Ų35.836%0.35520%0.201SC..EExtended strand (participates in β ladder)trans-126126.2-174.1-77.6167.6-173-160.23112.3Y297 L298 A301 M361 F362Y297-R303 WeakPolarHBondContact CD2-O 3.33Å; L298-R303 HydrophobicContact CB-CB 4.32Å; L298-R303 PolarHBondContact N-O 3.18Å; L298-R303 PolarHBondContact O-N 3.4Å; A301-R303 VanDerWaalsContact C-N 3.29Å; A301-R303 HydrophobicContact CB-CB 4.37Å; A301-R303 HydrophobicContact CB-CG 4.17Å; A301-R303 WeakPolarHBondContact O-CG 3.36Å; A301-R303 PolarHBondContact O-N 2.88Å; R303-M361 HydrophobicContact CB-CG 4.39Å; R303-M361 VanDerWaalsContact CD-SD 3.56Å; R303-M361 HydrophobicContact CG-CG 4.2Å; R303-M361 HydrophobicContact CG-SD 4.08Å; R303-F362 CarbonylContact C-O 3.57Å; R303-F362 VanDerWaalsContact CA-O 3.31Å; R303-F362 WeakPolarHBondContact CA-O 3.48Å
304L97.1Very high92.3Very high0 Ų036.2 Ų36.20%020%0.204CC..EExtended strand (participates in β ladder)trans-95.5124.2166.9179.366.8000109.3Y297 V306 L333 M361 F362 L364 V374 W407 M410Y297-L304 HydrophobicContact CD2-CB 4.17Å; Y297-L304 HydrophobicContact CD2-CD1 4.38Å; L304-V306 HydrophobicContact CD2-CG2 4.41Å; L304-V306 HydrophobicContact CG-CG2 4.24Å; L304-L333 HydrophobicContact CD2-CD1 4.17Å; L304-M361 CarbonylContact O-C 3.43Å; L304-M361 WeakPolarHBondContact O-CA 3.49Å; L304-F362 HydrophobicContact CB-CB 4.43Å; L304-F362 PolarHBondContact N-O 3.28Å; L304-F362 PolarHBondContact O-N 2.87Å; L304-L364 HydrophobicContact CB-CB 4.47Å; L304-L364 HydrophobicContact CB-CD2 4.37Å; L304-L364 HydrophobicContact CD2-CD2 4.21Å; L304-V374 HydrophobicContact CD2-CG2 3.62Å; L304-W407 HydrophobicContact CD1-CH2 4.34Å; L304-W407 HydrophobicContact CD2-CH2 3.77Å; L304-W407 HydrophobicContact CD2-CZ3 4.21Å; L304-M410 HydrophobicContact CD1-CE 4.08Å; L304-M410 HydrophobicContact CD1-SD 3.43Å; L304-M410 WeakPolarHBondContact CD1-SD 3.4Å
305L97.1Very high90.8Very high23 Ų2340.6 Ų40.612%0.1222%0.224CC..EExtended strand (participates in β ladder)trans-104.7128.5176-52.6-178.2000109.1I295 S296 L298 M359 M361I295-L305 VanDerWaalsContact CA-O 3.3Å; I295-L305 WeakPolarHBondContact CA-O 3.06Å; S296-L305 PolarHBondContact N-O 3.04Å; S296-L305 PolarHBondContact O-N 2.83Å; L298-L305 HydrophobicContact CD1-CD1 3.91Å; L298-L305 HydrophobicContact CD1-CG 4.4Å; L298-L305 HydrophobicContact CG-CD1 4.23Å; L305-M359 HydrophobicContact CD1-CE 4.46Å; L305-M359 HydrophobicContact CD1-SD 4.48Å; L305-M359 HydrophobicContact CD2-SD 4.31Å; L305-M361 HydrophobicContact CD2-CB 3.92Å; L305-M361 HydrophobicContact CD2-CE 3.64Å; L305-M361 HydrophobicContact CD2-CG 3.69Å; L305-M361 HydrophobicContact CD2-SD 4.4Å
306V97.4Very high88.7Confident0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-125115.3174.2-171.40000107.3L293 S294 I295 L304 L308 I360 F362 V374L293-V306 HydrophobicContact CD1-CG1 4.26Å; S294-V306 CarbonylContact O-C 3.57Å; S294-V306 WeakPolarHBondContact O-CA 3.37Å; I295-V306 HydrophobicContact CG2-CG1 4.2Å; I295-V306 HydrophobicContact CG2-CG2 4.19Å; L304-V306 HydrophobicContact CD2-CG2 4.41Å; L304-V306 HydrophobicContact CG-CG2 4.24Å; V306-L308 HydrophobicContact CG1-CD2 3.68Å; V306-I360 PolarHBondContact N-O 2.66Å; V306-I360 PolarHBondContact O-N 2.96Å; V306-F362 HydrophobicContact CG2-CD2 4.33Å; V306-F362 HydrophobicContact CG2-CE2 4.23Å; V306-V374 HydrophobicContact CG2-CG1 4.45Å; V306-V374 HydrophobicContact CG2-CG2 4.29Å
307V96.4Very high86.3Confident17 Ų1747 Ų4710%0.10326%0.258CS..EExtended strand (participates in β ladder)trans-105.5119.6176.2-170.70000109.3L293 S294 I309 E358 M359 Q417L293-V307 CarbonylContact C-O 3.58Å; L293-V307 VanDerWaalsContact CA-O 3.26Å; L293-V307 WeakPolarHBondContact CA-O 3.38Å; S294-V307 PolarHBondContact N-O 3.33Å; S294-V307 PolarHBondContact O-N 3.39Å; S294-V307 VanDerWaalsContact OG-CB 3.32Å; S294-V307 WeakPolarHBondContact OG-CB 3.37Å; V307-I309 HydrophobicContact CG1-CG1 4.37Å; V307-E358 WeakPolarHBondContact CA-O 2.95Å; V307-M359 HydrophobicContact CG2-CB 4.02Å; V307-M359 HydrophobicContact CG2-CE 3.64Å; V307-M359 HydrophobicContact CG2-CG 3.97Å; V307-Q417 VanDerWaalsContact CG2-NE2 3.33Å
308L95.1Very high83.9Confident0 Ų052.7 Ų52.70%029%0.285CS..EExtended strand (participates in β ladder)trans-88.6108.9176.3-83.5-71.4000107.6V291 L293 V306 V329 V331 T345 W356 N357 E358 L376V291-L308 HydrophobicContact CG2-CD1 4.22Å; L293-L308 HydrophobicContact CB-CD1 4.4Å; V306-L308 HydrophobicContact CG1-CD2 3.68Å; L308-V329 HydrophobicContact CD1-CB 4.18Å; L308-V329 HydrophobicContact CD1-CG1 3.91Å; L308-V329 HydrophobicContact CD1-CG2 4.24Å; L308-V329 HydrophobicContact CG-CB 4.48Å; L308-V331 HydrophobicContact CD2-CG2 3.96Å; L308-V331 HydrophobicContact CG-CG2 4.46Å; L308-T345 HydrophobicContact CB-CG2 4.25Å; L308-T345 HydrophobicContact CG-CG2 4.12Å; L308-W356 HydrophobicContact CB-CB 4.43Å; L308-N357 CarbonylContact O-C 3.6Å; L308-N357 WeakPolarHBondContact O-CA 3.46Å; L308-N357 PolarHBondContact O-N 3.41Å; L308-E358 PolarHBondContact N-O 2.77Å; L308-E358 PolarHBondContact O-N 2.79Å; L308-L376 HydrophobicContact CD1-CD2 3.6Å; L308-L376 HydrophobicContact CD2-CD2 4.24Å; L308-L376 HydrophobicContact CG-CD2 4.48Å
309I91.8Very high81.4Confident38 Ų3854.2 Ų54.220%0.19530%0.3CS..EExtended strand (participates in β ladder)trans-89-68.9-172.5-56.5178.3000108.7L292 V307 W356 N357 A419L292-I309 HydrophobicContact CB-CB 4.49Å; L292-I309 HydrophobicContact CD2-CB 4.22Å; L292-I309 HydrophobicContact CD2-CD1 4.25Å; L292-I309 HydrophobicContact CD2-CG2 4.02Å; L292-I309 HydrophobicContact CG-CB 4.11Å; L292-I309 HydrophobicContact CG-CD1 4.08Å; L292-I309 HydrophobicContact CG-CG2 4.47Å; L292-I309 WeakPolarHBondContact O-CB 3.42Å; L292-I309 PolarHBondContact O-N 2.89Å; L292-I309 VanDerWaalsContact O-N 3.08Å; V307-I309 HydrophobicContact CG1-CG1 4.37Å; I309-W356 PolarHBondContact O-N 2.91Å; I309-N357 PolarHBondContact O-N 2.92Å; I309-N357 PolarHBondContact O-OD1 3.17Å; I309-A419 HydrophobicContact CD1-CB 4.26Å
310K88.3Confident79.2Confident90 Ų9061.9 Ų61.939%0.39133%0.329SS..EExtended strand (participates in β ladder)trans-157.9162.8-176.961.7-176.7178.61780111.8L292 P354 V355 W421L292-K310 HydrophobicContact CB-CG 4.08Å; L292-K310 HydrophobicContact CD2-CG 4.14Å; L292-K310 PolarHBondContact N-O 2.63Å; L292-K310 PolarHBondContact O-N 2.59Å; K310-P354 CarbonylContact C-O 3.59Å; K310-P354 WeakPolarHBondContact CA-O 3.46Å; K310-P354 WeakPolarHBondContact CB-O 3.49Å; K310-V355 HydrophobicContact CB-CB 4.38Å; K310-V355 HydrophobicContact CB-CG1 4.47Å; K310-V355 HydrophobicContact CB-CG2 3.92Å; K310-W421 HydrophobicContact CD-CH2 4.4Å; K310-W421 HydrophobicContact CG-CH2 4.06Å
311A88.7Confident77.1Confident3 Ų362.5 Ų62.53%0.02531%0.313CS..EExtended strand (participates in β ladder)trans-124.6159.3166.900000110.3E290 V291 L314 N353 P354 W356E290-A311 CarbonylContact O-C 3.56Å; E290-A311 WeakPolarHBondContact O-CA 3.42Å; E290-A311 WeakPolarHBondContact O-CB 3.46Å; V291-A311 HydrophobicContact CB-CB 4.43Å; V291-A311 HydrophobicContact CG2-CB 4.47Å; A311-L314 HydrophobicContact CB-CD1 4.01Å; A311-L314 HydrophobicContact CB-CD2 4.14Å; A311-L314 HydrophobicContact CB-CG 4.09Å; A311-N353 CarbonylContact O-C 3.55Å; A311-N353 VanDerWaalsContact O-CA 3.28Å; A311-N353 WeakPolarHBondContact O-CA 3.31Å; A311-P354 HydrophobicContact CB-CG 4.03Å; A311-P354 PolarHBondContact N-O 3.12Å; A311-W356 HydrophobicContact CB-CH2 3.78Å; A311-W356 HydrophobicContact CB-CZ3 3.68Å
312K81.2Confident75Confident71 Ų7161.9 Ų61.931%0.30930%0.303SS..EExtended strand (participates in β ladder)trans-138.3156.3174.264179.3168.8133.60111.4E290 L314 N353 W421E290-K312 HydrophobicContact CB-CG 4.22Å; E290-K312 PolarHBondContact N-O 3.2Å; E290-K312 PolarHBondContact O-N 3.28Å; E290-K312 WeakPolarHBondContact OE2-CE 3.45Å; E290-K312 IonicContact OE2-NZ 2.71Å; E290-K312 PolarHBondContact OE2-NZ 2.87Å; K312-L314 PolarHBondContact O-N 2.98Å; K312-N353 WeakPolarHBondContact CA-OD1 2.9Å; K312-W421 HydrophobicContact CB-CH2 4.5Å; K312-W421 HydrophobicContact CD-CH2 3.75Å; K312-W421 HydrophobicContact CD-CZ2 4.34Å; K312-W421 HydrophobicContact CD-CZ3 3.95Å; K312-W421 HydrophobicContact CG-CH2 3.87Å; K312-W421 HydrophobicContact CG-CZ3 3.71Å
313N74.4Confident72.8Confident80 Ų8065.2 Ų65.243%0.42832%0.32SS..  trans55.239.4176.1-56.4-21.1000112.5G289 H315 N353G289-N313 WeakPolarHBondContact CA-O 3.29Å; N313-H315 WeakPolarHBondContact CA-NE2 3.37Å; N313-H315 PolarHBondContact O-CD2 3.45Å; N313-H315 PolarHBondContact O-N 3.39Å; N313-N353 PolarHBondContact N-OD1 3.42Å; N313-N353 VanDerWaalsContact N-OD1 3.12Å
314L73.3Confident70.8Confident10 Ų1062.1 Ų62.15%0.05232%0.317CS..  trans-69.596.8174.7-67.4178.7000109.1A288 A311 K312 V327 P354 V378 L424A288-L314 WeakPolarHBondContact O-CD2 3.33Å; A311-L314 HydrophobicContact CB-CD1 4.01Å; A311-L314 HydrophobicContact CB-CD2 4.14Å; A311-L314 HydrophobicContact CB-CG 4.09Å; K312-L314 PolarHBondContact O-N 2.98Å; L314-V327 HydrophobicContact CD1-CG1 3.99Å; L314-P354 HydrophobicContact CD1-CG 3.66Å; L314-V378 HydrophobicContact CD1-CG1 4.13Å; L314-V378 HydrophobicContact CD2-CG1 4.28Å; L314-L424 HydrophobicContact CD2-CD1 3.32Å
315H65.3Low69.3Low92 Ų9263.7 Ų63.743%0.42632%0.324SS..  trans-123.9110.4176.7-54-72.8000107.9N313N313-H315 WeakPolarHBondContact CA-NE2 3.37Å; N313-H315 PolarHBondContact O-CD2 3.45Å; N313-H315 PolarHBondContact O-N 3.39Å
316S51.5Low68.5Low11 Ų1163.9 Ų63.98%0.07733%0.325CS..  trans-76.6143.6158.9179.70000107.6Q318 S319 L322S316-Q318 CarbonylContact O-C 3.59Å; S316-Q318 PolarHBondContact O-N 3.04Å; S316-Q318 PolarHBondContact OG-N 3.32Å; S316-S319 WeakPolarHBondContact O-CA 3.32Å; S316-S319 WeakPolarHBondContact O-CB 3.47Å; S316-S319 PolarHBondContact O-N 3.33Å; S316-S319 VanDerWaalsContact O-N 3.13Å; S316-L322 VanDerWaalsContact CB-CD1 3.43Å
317N47.1Very low68Low130 Ų13064.2 Ų64.270%0.69533%0.327SS*.SBendtrans-57.60.1171.5-70-21.5000113.5
318Q46.2Very low67.7Low124 Ų12463.6 Ų63.658%0.57932%0.324SS*.SBendtrans-97.845.1167-62.1178.911.300111.7S316 K320 E321S316-Q318 CarbonylContact O-C 3.59Å; S316-Q318 PolarHBondContact O-N 3.04Å; S316-Q318 PolarHBondContact OG-N 3.32Å; Q318-K320 PolarHBondContact O-N 3.04Å; Q318-E321 PolarHBondContact O-N 3.12Å; Q318-E321 VanDerWaalsContact O-N 3.11Å
319S43.4Very low67.7Low85 Ų8563.6 Ų63.659%0.59432%0.324SS*.THydrogen-bonded Turntrans-67.26.6-159.952.90000117.7S316S316-S319 WeakPolarHBondContact O-CA 3.32Å; S316-S319 WeakPolarHBondContact O-CB 3.47Å; S316-S319 PolarHBondContact O-N 3.33Å; S316-S319 VanDerWaalsContact O-N 3.13Å
320K47.9Very low67.8Low203 Ų20363.1 Ų63.188%0.88332%0.32SS*.THydrogen-bonded Turntrans-95.5-17.2168.3-79.8-176.5176.6179.20114Q318Q318-K320 PolarHBondContact O-N 3.04Å
321E50Low68.2Low124 Ų12458.8 Ų58.858%0.57930%0.301SS*.SBendtrans-106.1-1.4-168.2-139.5179.2-138.700114Q318 K325Q318-E321 PolarHBondContact O-N 3.12Å; Q318-E321 VanDerWaalsContact O-N 3.11Å; E321-K325 WeakPolarHBondContact O-CD 3.34Å; E321-K325 WeakPolarHBondContact O-CE 3.29Å; E321-K325 PolarHBondContact O-NZ 3.15Å; E321-K325 IonicContact OE2-NZ 2.71Å
322L50.5Low68.6Low34 Ų3459 Ų5918%0.17830%0.303CS..  trans-91.3-10.7176.3-79.2170.8000114.5S316 G324 K325 L390S316-L322 VanDerWaalsContact CB-CD1 3.43Å; L322-G324 PolarHBondContact O-N 3.01Å; L322-K325 HydrophobicContact CD2-CB 4.44Å; L322-K325 HydrophobicContact CD2-CD 4.13Å; L322-K325 PolarHBondContact O-N 3.19Å; L322-L390 HydrophobicContact CD1-CD2 4.05Å; L322-L390 HydrophobicContact CD2-CD1 3.85Å; L322-L390 HydrophobicContact CD2-CD2 3.31Å; L322-L390 HydrophobicContact CD2-CG 4.23Å; L322-L390 HydrophobicContact CG-CD2 4.24Å
323L49.8Very low69.4Low141 Ų14155.8 Ų55.874%0.73829%0.289SS*.THydrogen-bonded Turntrans-65.9105.1176.2-124.278000108.5I352L323-I352 HydrophobicContact CD1-CD1 4.36Å
324G54.3Low70.3Confident28 Ų2853.5 Ų53.529%0.28928%0.275SS..THydrogen-bonded Turntrans104.7-1.1177.600000116.4L322 H350L322-G324 PolarHBondContact O-N 3.01Å; G324-H350 VanDerWaalsContact CA-CD2 3.48Å; G324-H350 WeakPolarHBondContact CA-CD2 2.99Å; G324-H350 PolarHBondContact O-CD2 2.96Å; G324-H350 VanDerWaalsContact O-CD2 3.3Å; G324-H350 PolarHBondContact O-CE1 2.87Å; G324-H350 VanDerWaalsContact O-CE1 3.31Å; G324-H350 PolarHBondContact O-ND1 3.02Å; G324-H350 PolarHBondContact O-NE2 3.08Å
325K65.4Low71.3Confident33 Ų3354.7 Ų54.714%0.14328%0.28CS..  trans-78.1141.9178.9-68.1-169.5177.2166.90112.2E321 L322 H350 Q381 D382E321-K325 WeakPolarHBondContact O-CD 3.34Å; E321-K325 WeakPolarHBondContact O-CE 3.29Å; E321-K325 PolarHBondContact O-NZ 3.15Å; E321-K325 IonicContact OE2-NZ 2.71Å; L322-K325 HydrophobicContact CD2-CB 4.44Å; L322-K325 HydrophobicContact CD2-CD 4.13Å; L322-K325 PolarHBondContact O-N 3.19Å; K325-H350 PolarHBondContact O-N 3.21Å; K325-Q381 WeakPolarHBondContact CA-O 3.2Å; K325-Q381 WeakPolarHBondContact CB-O 3.39Å; K325-Q381 WeakPolarHBondContact CG-O 3.45Å; K325-D382 HydrophobicContact CD-CB 4.04Å
326D80.6Confident72.4Confident28 Ų2856.9 Ų56.915%0.1529%0.29CS..EExtended strand (participates in β ladder)trans-74.2128.5172.8-83.36.7000109.4R347 K349 H350 Q381D326-R347 HydrophobicContact CB-CB 4.21Å; D326-R347 HydrophobicContact CB-CG 4.46Å; D326-R347 IonicContact OD2-NE 3.37Å; D326-K349 WeakPolarHBondContact OD1-CA 3.3Å; D326-K349 WeakPolarHBondContact OD1-CB 3.43Å; D326-K349 WeakPolarHBondContact OD1-CG 3.29Å; D326-H350 IonicContact OD1-CE1 2.91Å; D326-H350 IonicContact OD1-ND1 2.71Å; D326-H350 PolarHBondContact OD1-ND1 2.84Å; D326-Q381 PolarHBondContact N-O 3.17Å; D326-Q381 PolarHBondContact O-N 2.92Å
327V87.2Confident74Confident7 Ų761 Ų614%0.04233%0.325CS..EExtended strand (participates in β ladder)trans-106.4133.3-176.3-168.50000111.1L314 R347 A348 P354 W356 V378 L379 L390L314-V327 HydrophobicContact CD1-CG1 3.99Å; V327-R347 CarbonylContact O-C 3.53Å; V327-R347 WeakPolarHBondContact O-CA 3.4Å; V327-A348 PolarHBondContact N-O 3.24Å; V327-A348 PolarHBondContact O-N 3.22Å; V327-P354 HydrophobicContact CG1-CG 4.45Å; V327-W356 HydrophobicContact CB-CZ2 4.42Å; V327-W356 HydrophobicContact CG1-CH2 4.5Å; V327-W356 HydrophobicContact CG1-CZ2 3.89Å; V327-W356 PolarHBondContact O-NE1 3.04Å; V327-V378 HydrophobicContact CG1-CG1 3.57Å; V327-L379 WeakPolarHBondContact CA-O 3.49Å; V327-L390 HydrophobicContact CG1-CD1 4.28Å; V327-L390 HydrophobicContact CG2-CD1 4.47Å
328S90.9Very high76.1Confident3 Ų363.9 Ų63.92%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-137.7156.8171.959.30000111.1Q344 L379S328-Q344 PolarHBondContact OG-NE2 2.98Å; S328-L379 PolarHBondContact N-O 3.36Å; S328-L379 PolarHBondContact O-N 2.87Å
329V93.6Very high78.3Confident0 Ų064.6 Ų64.60%033%0.327CS..EExtended strand (participates in β ladder)trans-111.3129.1177.9-170.60000109.7L308 V331 Q344 T345 W356 L376 V378L308-V329 HydrophobicContact CD1-CB 4.18Å; L308-V329 HydrophobicContact CD1-CG1 3.91Å; L308-V329 HydrophobicContact CD1-CG2 4.24Å; L308-V329 HydrophobicContact CG-CB 4.48Å; V329-V331 HydrophobicContact CG1-CG2 4.22Å; V329-Q344 CarbonylContact O-C 3.59Å; V329-Q344 WeakPolarHBondContact O-CA 3.3Å; V329-T345 HydrophobicContact CB-CG2 4.11Å; V329-T345 PolarHBondContact N-OG1 3.17Å; V329-T345 PolarHBondContact O-N 2.81Å; V329-W356 HydrophobicContact CG2-CD2 4.21Å; V329-W356 HydrophobicContact CG2-CE3 4.22Å; V329-W356 HydrophobicContact CG2-CH2 3.44Å; V329-W356 VanDerWaalsContact CG2-CH2 3.44Å; V329-W356 HydrophobicContact CG2-CZ2 3.48Å; V329-W356 VanDerWaalsContact CG2-CZ2 3.48Å; V329-W356 HydrophobicContact CG2-CZ3 3.84Å; V329-L376 HydrophobicContact CG1-CB 4.24Å; V329-L376 HydrophobicContact CG1-CD2 4.01Å; V329-V378 HydrophobicContact CG2-CG2 4.27Å
330K95.1Very high80.6Confident28 Ų2864.3 Ų64.312%0.12232%0.319CS..EExtended strand (participates in β ladder)trans-102.7115.4178.4-171.717997.6-166.80108.2K342 K343 L376 E377 L379K330-K342 HydrophobicContact CD-CD 4.47Å; K330-K342 VanDerWaalsContact CE-CE 3.48Å; K330-K342 HydrophobicContact CG-CD 4.29Å; K330-K342 HydrophobicContact CG-CG 4.18Å; K330-K343 CarbonylContact C-O 3.58Å; K330-L376 WeakPolarHBondContact O-CA 3.23Å; K330-E377 HydrophobicContact CB-CB 4.35Å; K330-E377 WeakPolarHBondContact CB-O 3.38Å; K330-E377 WeakPolarHBondContact CE-OE2 3.1Å; K330-E377 PolarHBondContact N-O 3.45Å; K330-E377 IonicContact NZ-OE1 3.78Å; K330-E377 PolarHBondContact NZ-OE1 2.87Å; K330-E377 IonicContact NZ-OE2 3.64Å; K330-E377 PolarHBondContact NZ-OE2 2.81Å; K330-E377 PolarHBondContact O-N 2.81Å; K330-L379 HydrophobicContact CB-CD1 4.2Å; K330-L379 HydrophobicContact CB-CG 4.47Å; K330-L379 HydrophobicContact CD-CD1 3.81Å
331V96.9Very high82.8Confident0 Ų059.4 Ų59.40%030%0.298CS..EExtended strand (participates in β ladder)trans-107.5120.5-176.8-1720000109.3L308 V329 K342 K343 I360 F362 V374 E375 L376L308-V331 HydrophobicContact CD2-CG2 3.96Å; L308-V331 HydrophobicContact CG-CG2 4.46Å; V329-V331 HydrophobicContact CG1-CG2 4.22Å; V331-K342 WeakPolarHBondContact O-CA 3.22Å; V331-K343 PolarHBondContact N-O 2.82Å; V331-K343 PolarHBondContact O-N 2.78Å; V331-I360 HydrophobicContact CB-CD1 4.03Å; V331-I360 HydrophobicContact CG2-CD1 3.61Å; V331-F362 HydrophobicContact CB-CZ 4.24Å; V331-F362 HydrophobicContact CG1-CE2 3.76Å; V331-F362 HydrophobicContact CG1-CZ 3.82Å; V331-V374 HydrophobicContact CG1-CG1 3.44Å; V331-V374 VanDerWaalsContact CG1-CG1 3.44Å; V331-E375 CarbonylContact C-O 3.56Å; V331-E375 WeakPolarHBondContact CA-O 3.42Å; V331-L376 HydrophobicContact CG2-CD2 4.17Å
332T96.8Very high85Confident8 Ų859.4 Ų59.45%0.04930%0.296CS..EExtended strand (participates in β ladder)trans-117.5116.5-178.1-52.90000109.7K334 K339 K341 E375T332-K334 HydrophobicContact CG2-CG 4.36Å; T332-K339 HydrophobicContact CG2-CB 4.14Å; T332-K339 HydrophobicContact CG2-CD 4.11Å; T332-K339 HydrophobicContact CG2-CG 3.89Å; T332-K341 CarbonylContact C-O 3.59Å; T332-K341 WeakPolarHBondContact CA-O 3.41Å; T332-E375 PolarHBondContact N-O 3.06Å; T332-E375 PolarHBondContact O-N 3.07Å
333L96.8Very high87.2Confident3 Ų361.4 Ų61.42%0.01630%0.303CS..EExtended strand (participates in β ladder)trans-79125.8168.6175.865.3000109.2L304 L340 K341 F362 L364 V374L304-L333 HydrophobicContact CD2-CD1 4.17Å; L333-L340 HydrophobicContact CD2-CB 4.49Å; L333-L340 HydrophobicContact CD2-CD1 4.28Å; L333-L340 HydrophobicContact CG-CB 4.4Å; L333-L340 HydrophobicContact CG-CD1 4.36Å; L333-L340 PolarHBondContact O-N 2.87Å; L333-K341 PolarHBondContact N-O 2.86Å; L333-K341 PolarHBondContact O-N 2.81Å; L333-F362 HydrophobicContact CB-CD1 3.91Å; L333-F362 HydrophobicContact CB-CD2 4.42Å; L333-F362 HydrophobicContact CB-CE1 4.06Å; L333-F362 HydrophobicContact CB-CG 4.09Å; L333-F362 HydrophobicContact CB-CZ 4.38Å; L333-F362 HydrophobicContact CD2-CB 3.73Å; L333-F362 HydrophobicContact CD2-CD1 4.24Å; L333-F362 HydrophobicContact CD2-CG 4.05Å; L333-L364 HydrophobicContact CD1-CD2 4.07Å; L333-L364 HydrophobicContact CD2-CB 4.36Å; L333-L364 HydrophobicContact CD2-CD1 4.33Å; L333-V374 HydrophobicContact CD1-CG2 4.31Å
334K94.9Very high89.3Confident32 Ų3259 Ų5914%0.13929%0.288CS..EExtended strand (participates in β ladder)trans-115.2152.7173.6-72.3-174.7172.4177.30111T332 R338 K339 S372 S373 E375T332-K334 HydrophobicContact CG2-CG 4.36Å; K334-R338 VanDerWaalsContact CA-O 3.31Å; K334-R338 WeakPolarHBondContact CA-O 3.24Å; K334-K339 HydrophobicContact CD-CG 4.34Å; K334-K339 HydrophobicContact CG-CG 4.01Å; K334-S372 VanDerWaalsContact O-CA 3.23Å; K334-S372 WeakPolarHBondContact O-CA 3.2Å; K334-S372 VanDerWaalsContact O-CB 3.31Å; K334-S372 WeakPolarHBondContact O-CB 3.23Å; K334-S372 PolarHBondContact O-OG 2.97Å; K334-S372 VanDerWaalsContact O-OG 3.05Å; K334-S373 PolarHBondContact N-O 3.47Å; K334-S373 PolarHBondContact O-N 2.83Å; K334-E375 HydrophobicContact CD-CG 4.32Å; K334-E375 WeakPolarHBondContact CD-OE1 3.39Å; K334-E375 VanDerWaalsContact CE-OE1 3.31Å; K334-E375 WeakPolarHBondContact CE-OE1 3.31Å; K334-E375 WeakPolarHBondContact CE-OE2 3.43Å; K334-E375 IonicContact NZ-OE1 3.57Å; K334-E375 PolarHBondContact NZ-OE1 3.45Å; K334-E375 IonicContact NZ-OE2 3Å; K334-E375 PolarHBondContact NZ-OE2 3.23Å
335H93Very high91.1Very high35 Ų3558.1 Ų58.116%0.16228%0.277CS..EExtended strand (participates in β ladder)trans-125.7116.7163.4-179.881.4000106.9A337 R338 L340 L368 S372H335-A337 PolarHBondContact O-N 2.82Å; H335-R338 PolarHBondContact N-O 3.37Å; H335-R338 PolarHBondContact O-N 2.78Å; H335-L340 HydrophobicContact CB-CD1 3.66Å; H335-L340 HydrophobicContact CB-CD2 4.33Å; H335-L340 HydrophobicContact CB-CG 3.99Å; H335-L368 PolarHBondContact ND1-O 3.28Å; H335-S372 PolarHBondContact ND1-OG 3.22Å
336Q88.1Confident92.2Very high137 Ų13764.5 Ų64.564%0.6430%0.304SS*.THydrogen-bonded Turntrans51.3-123.8-166.9-54.5173.7-8.900110.3A371Q336-A371 HydrophobicContact CG-CB 4.29Å; Q336-A371 PolarHBondContact N-O 3.27Å
337A85.9Confident92.5Very high97 Ų9770.1 Ų70.180%0.80232%0.324SS*.THydrogen-bonded Turntrans-85.3-9.6177.400000114.2H335H335-A337 PolarHBondContact O-N 2.82Å
338R90.6Very high92.3Very high191 Ų19170.3 Ų70.372%0.72133%0.326SS*.EExtended strand (participates in β ladder)trans-93.1127.3-171.9-170177.5178.7-165.20.1111.6K334 H335 L340K334-R338 VanDerWaalsContact CA-O 3.31Å; K334-R338 WeakPolarHBondContact CA-O 3.24Å; H335-R338 PolarHBondContact N-O 3.37Å; H335-R338 PolarHBondContact O-N 2.78Å; R338-L340 PolarHBondContact O-N 2.98Å
339K93.2Very high91.3Very high140 Ų14077 Ų7761%0.60936%0.355SS*.EExtended strand (participates in β ladder)trans-73.4120.3171.4-64.7177.7-178.5178.60109.4T332 K334T332-K339 HydrophobicContact CG2-CB 4.14Å; T332-K339 HydrophobicContact CG2-CD 4.11Å; T332-K339 HydrophobicContact CG2-CG 3.89Å; K334-K339 HydrophobicContact CD-CG 4.34Å; K334-K339 HydrophobicContact CG-CG 4.01Å
340L91.9Very high89.8Confident79 Ų7982.8 Ų82.841%0.41438%0.381SS..EExtended strand (participates in β ladder)trans-92.5-53.5-179.9-65.2-175.2000111.6L333 H335 R338L333-L340 HydrophobicContact CD2-CB 4.49Å; L333-L340 HydrophobicContact CD2-CD1 4.28Å; L333-L340 HydrophobicContact CG-CB 4.4Å; L333-L340 HydrophobicContact CG-CD1 4.36Å; L333-L340 PolarHBondContact O-N 2.87Å; H335-L340 HydrophobicContact CB-CD1 3.66Å; H335-L340 HydrophobicContact CB-CD2 4.33Å; H335-L340 HydrophobicContact CB-CG 3.99Å; R338-L340 PolarHBondContact O-N 2.98Å
341K94.3Very high88.4Confident100 Ų10086.9 Ų86.944%0.43540%0.399SS..EExtended strand (participates in β ladder)trans-148.4145.8-174.7-158153.8-172.3168.20110.4T332 L333 F362T332-K341 CarbonylContact C-O 3.59Å; T332-K341 WeakPolarHBondContact CA-O 3.41Å; L333-K341 PolarHBondContact N-O 2.86Å; L333-K341 PolarHBondContact O-N 2.81Å; K341-F362 HydrophobicContact CB-CD1 3.95Å; K341-F362 HydrophobicContact CB-CE1 4.11Å; K341-F362 HydrophobicContact CD-CD1 4.44Å; K341-F362 HydrophobicContact CG-CD1 4.2Å; K341-F362 HydrophobicContact CG-CE1 4.31Å
342K95.4Very high86.9Confident124 Ų12490.2 Ų90.254%0.53942%0.416SS..EExtended strand (participates in β ladder)trans-129.6134.3-178.9-176.8-177.9176.4-1710108.8K330 V331K330-K342 HydrophobicContact CD-CD 4.47Å; K330-K342 VanDerWaalsContact CE-CE 3.48Å; K330-K342 HydrophobicContact CG-CD 4.29Å; K330-K342 HydrophobicContact CG-CG 4.18Å; V331-K342 WeakPolarHBondContact O-CA 3.22Å
343K95.8Very high85.9Confident75 Ų7594 Ų9433%0.32644%0.436SS..EExtended strand (participates in β ladder)trans-135.6154.1175.6-69.6-174.8169.1-168.30108.4K330 V331 I360 M361 F362K330-K343 CarbonylContact C-O 3.58Å; V331-K343 PolarHBondContact N-O 2.82Å; V331-K343 PolarHBondContact O-N 2.78Å; K343-I360 HydrophobicContact CB-CD1 4.33Å; K343-I360 HydrophobicContact CB-CG2 3.7Å; K343-I360 HydrophobicContact CD-CG2 3.48Å; K343-I360 VanDerWaalsContact CD-CG2 3.48Å; K343-I360 HydrophobicContact CG-CG2 4.15Å; K343-M361 WeakPolarHBondContact CE-O 3.43Å; K343-M361 PolarHBondContact NZ-O 3.27Å; K343-F362 HydrophobicContact CB-CE1 4.34Å; K343-F362 HydrophobicContact CB-CZ 4.3Å; K343-F362 HydrophobicContact CD-CD1 4.45Å; K343-F362 HydrophobicContact CD-CE1 3.98Å; K343-F362 HydrophobicContact CD-CZ 4.38Å; K343-F362 HydrophobicContact CG-CE1 3.96Å; K343-F362 HydrophobicContact CG-CZ 4.38Å
344Q94.1Very high85.2Confident92 Ų9293.9 Ų93.943%0.4344%0.435SS..EExtended strand (participates in β ladder)trans-134139.8-179.2-176.2173.5-14.600108.6S328 V329S328-Q344 PolarHBondContact OG-NE2 2.98Å; V329-Q344 CarbonylContact O-C 3.59Å; V329-Q344 WeakPolarHBondContact O-CA 3.3Å
345T92.7Very high84.8Confident9 Ų995.8 Ų95.86%0.05545%0.45CS..PPolyproline II helixtrans-72.6166.4178.866.20000111.5L308 V329 E358 I360L308-T345 HydrophobicContact CB-CG2 4.25Å; L308-T345 HydrophobicContact CG-CG2 4.12Å; V329-T345 HydrophobicContact CB-CG2 4.11Å; V329-T345 PolarHBondContact N-OG1 3.17Å; V329-T345 PolarHBondContact O-N 2.81Å; T345-E358 WeakPolarHBondContact CA-OE1 3.21Å; T345-E358 VanDerWaalsContact CA-OE2 3.31Å; T345-E358 WeakPolarHBondContact CA-OE2 3.19Å; T345-E358 VanDerWaalsContact CB-OE2 3.28Å; T345-E358 WeakPolarHBondContact CB-OE2 3.21Å; T345-E358 HydrophobicContact CG2-CB 4.37Å; T345-I360 HydrophobicContact CG2-CD1 3.89Å
346K89.6Confident84.6Confident166 Ų16695.5 Ų95.572%0.72245%0.447SS*.PPolyproline II helixtrans-56.4151.4162.3-64.5178.2-176.11780110.3W356 E358K346-W356 VanDerWaalsContact O-CD1 3.27Å; K346-W356 PolarHBondContact O-NE1 2.95Å; K346-E358 PolarHBondContact N-OE2 2.94Å
347R86.4Confident84.8Confident147 Ų14794 Ų9456%0.55544%0.444SS*.PPolyproline II helixtrans-76.3129175.4-68.9-172.3-60.6-87.71110.1D326 V327D326-R347 HydrophobicContact CB-CB 4.21Å; D326-R347 HydrophobicContact CB-CG 4.46Å; D326-R347 IonicContact OD2-NE 3.37Å; V327-R347 CarbonylContact O-C 3.53Å; V327-R347 WeakPolarHBondContact O-CA 3.4Å
348A82.2Confident85.2Confident11 Ų1191.5 Ų91.59%0.09142%0.415CS..BIsolated β-bridgetrans-95.2112.1168.200000108V327 P354V327-A348 PolarHBondContact N-O 3.24Å; V327-A348 PolarHBondContact O-N 3.22Å; A348-P354 HydrophobicContact CB-CB 3.62Å
349K71Confident85.4Confident144 Ų14487.2 Ų87.263%0.62641%0.405SS*.THydrogen-bonded Turntrans-73.7130.1-173-60.1-165174-178.60112.3D326 K351D326-K349 WeakPolarHBondContact OD1-CA 3.3Å; D326-K349 WeakPolarHBondContact OD1-CB 3.43Å; D326-K349 WeakPolarHBondContact OD1-CG 3.29Å; K349-K351 VanDerWaalsContact C-N 3.29Å; K349-K351 WeakPolarHBondContact O-CG 3.48Å; K349-K351 PolarHBondContact O-N 3.37Å
350H62.2Low85.6Confident121 Ų12180.8 Ų80.856%0.5638%0.377SS*.THydrogen-bonded Turntrans53.538.8163.8-56.455.1000114.3G324 K325 D326G324-H350 VanDerWaalsContact CA-CD2 3.48Å; G324-H350 WeakPolarHBondContact CA-CD2 2.99Å; G324-H350 PolarHBondContact O-CD2 2.96Å; G324-H350 VanDerWaalsContact O-CD2 3.3Å; G324-H350 PolarHBondContact O-CE1 2.87Å; G324-H350 VanDerWaalsContact O-CE1 3.31Å; G324-H350 PolarHBondContact O-ND1 3.02Å; G324-H350 PolarHBondContact O-NE2 3.08Å; K325-H350 PolarHBondContact O-N 3.21Å; D326-H350 IonicContact OD1-CE1 2.91Å; D326-H350 IonicContact OD1-ND1 2.71Å; D326-H350 PolarHBondContact OD1-ND1 2.84Å
351K64.3Low85.8Confident114 Ų11480.1 Ų80.150%0.49637%0.373SS..  trans-124.3118.3-174.7-78173.2-173.3-168.60111.8K349 N353 P354K349-K351 VanDerWaalsContact C-N 3.29Å; K349-K351 WeakPolarHBondContact O-CG 3.48Å; K349-K351 PolarHBondContact O-N 3.37Å; K351-N353 VanDerWaalsContact C-N 3.27Å; K351-P354 HydrophobicContact CB-CB 4.18Å; K351-P354 WeakPolarHBondContact O-CD 3.26Å
352I65.3Low85.9Confident69 Ų6975.5 Ų75.535%0.35435%0.353SS..SBendtrans-69.3-29.7169.2-61.8170.5000110.9L323 P354L323-I352 HydrophobicContact CD1-CD1 4.36Å; I352-P354 VanDerWaalsContact O-CD 3.22Å; I352-P354 WeakPolarHBondContact O-CD 3.4Å
353N76.6Confident85.9Confident88 Ų8875.9 Ų75.947%0.47136%0.356SS..SBendtrans-116.470175.3-59.2-43.7000109.9A311 K312 N313 K351A311-N353 CarbonylContact O-C 3.55Å; A311-N353 VanDerWaalsContact O-CA 3.28Å; A311-N353 WeakPolarHBondContact O-CA 3.31Å; K312-N353 WeakPolarHBondContact CA-OD1 2.9Å; N313-N353 PolarHBondContact N-OD1 3.42Å; N313-N353 VanDerWaalsContact N-OD1 3.12Å; K351-N353 VanDerWaalsContact C-N 3.27Å
354P82.6Confident85.9Confident0 Ų072.4 Ų72.40%034%0.341CS..  trans-70.3146-176.231-36.7000111.4K310 A311 L314 V327 A348 K351 I352 W356K310-P354 CarbonylContact C-O 3.59Å; K310-P354 WeakPolarHBondContact CA-O 3.46Å; K310-P354 WeakPolarHBondContact CB-O 3.49Å; A311-P354 HydrophobicContact CB-CG 4.03Å; A311-P354 PolarHBondContact N-O 3.12Å; L314-P354 HydrophobicContact CD1-CG 3.66Å; V327-P354 HydrophobicContact CG1-CG 4.45Å; A348-P354 HydrophobicContact CB-CB 3.62Å; K351-P354 HydrophobicContact CB-CB 4.18Å; K351-P354 WeakPolarHBondContact O-CD 3.26Å; I352-P354 VanDerWaalsContact O-CD 3.22Å; I352-P354 WeakPolarHBondContact O-CD 3.4Å; P354-W356 HydrophobicContact CB-CD2 4.46Å; P354-W356 HydrophobicContact CB-CH2 3.83Å; P354-W356 HydrophobicContact CB-CZ2 3.58Å; P354-W356 HydrophobicContact CB-CZ3 4.32Å; P354-W356 HydrophobicContact CG-CH2 3.18Å; P354-W356 HydrophobicContact CG-CZ2 3.38Å; P354-W356 HydrophobicContact CG-CZ3 3.82Å
355V86.1Confident85.9Confident73 Ų7370.8 Ų70.844%0.44234%0.339SS..EExtended strand (participates in β ladder)trans-122.4120.2173.3-178.60000106.8K310 N357K310-V355 HydrophobicContact CB-CB 4.38Å; K310-V355 HydrophobicContact CB-CG1 4.47Å; K310-V355 HydrophobicContact CB-CG2 3.92Å; V355-N357 VanDerWaalsContact CG1-ND2 3.34Å; V355-N357 WeakPolarHBondContact CG1-ND2 3.33Å
356W89.4Confident85.9Confident28 Ų2874.1 Ų74.111%0.10636%0.356CS..EExtended strand (participates in β ladder)trans-103.7-41-179.7-62.4-82.8000111.8L308 I309 A311 V327 V329 K346 P354 E358L308-W356 HydrophobicContact CB-CB 4.43Å; I309-W356 PolarHBondContact O-N 2.91Å; A311-W356 HydrophobicContact CB-CH2 3.78Å; A311-W356 HydrophobicContact CB-CZ3 3.68Å; V327-W356 HydrophobicContact CB-CZ2 4.42Å; V327-W356 HydrophobicContact CG1-CH2 4.5Å; V327-W356 HydrophobicContact CG1-CZ2 3.89Å; V327-W356 PolarHBondContact O-NE1 3.04Å; V329-W356 HydrophobicContact CG2-CD2 4.21Å; V329-W356 HydrophobicContact CG2-CE3 4.22Å; V329-W356 HydrophobicContact CG2-CH2 3.44Å; V329-W356 VanDerWaalsContact CG2-CH2 3.44Å; V329-W356 HydrophobicContact CG2-CZ2 3.48Å; V329-W356 VanDerWaalsContact CG2-CZ2 3.48Å; V329-W356 HydrophobicContact CG2-CZ3 3.84Å; K346-W356 VanDerWaalsContact O-CD1 3.27Å; K346-W356 PolarHBondContact O-NE1 2.95Å; P354-W356 HydrophobicContact CB-CD2 4.46Å; P354-W356 HydrophobicContact CB-CH2 3.83Å; P354-W356 HydrophobicContact CB-CZ2 3.58Å; P354-W356 HydrophobicContact CB-CZ3 4.32Å; P354-W356 HydrophobicContact CG-CH2 3.18Å; P354-W356 HydrophobicContact CG-CZ2 3.38Å; P354-W356 HydrophobicContact CG-CZ3 3.82Å; W356-E358 HydrophobicContact CB-CB 4.15Å; W356-E358 PolarHBondContact O-N 2.94Å; W356-E358 VanDerWaalsContact O-N 3.15Å
357N91.1Very high86Confident107 Ų10773.4 Ų73.457%0.57236%0.36SS*.EExtended strand (participates in β ladder)trans4441.7-170.8-63.9-33.4000112.5L308 I309 V355L308-N357 CarbonylContact O-C 3.6Å; L308-N357 WeakPolarHBondContact O-CA 3.46Å; L308-N357 PolarHBondContact O-N 3.41Å; I309-N357 PolarHBondContact O-N 2.92Å; I309-N357 PolarHBondContact O-OD1 3.17Å; V355-N357 VanDerWaalsContact CG1-ND2 3.34Å; V355-N357 WeakPolarHBondContact CG1-ND2 3.33Å
358E94.6Very high86.3Confident43 Ų4369.4 Ų69.420%0.20135%0.349CS..EExtended strand (participates in β ladder)trans-107.5126.2-171.5-171.6171.2157.100110.9V307 L308 T345 K346 W356V307-E358 WeakPolarHBondContact CA-O 2.95Å; L308-E358 PolarHBondContact N-O 2.77Å; L308-E358 PolarHBondContact O-N 2.79Å; T345-E358 WeakPolarHBondContact CA-OE1 3.21Å; T345-E358 VanDerWaalsContact CA-OE2 3.31Å; T345-E358 WeakPolarHBondContact CA-OE2 3.19Å; T345-E358 VanDerWaalsContact CB-OE2 3.28Å; T345-E358 WeakPolarHBondContact CB-OE2 3.21Å; T345-E358 HydrophobicContact CG2-CB 4.37Å; K346-E358 PolarHBondContact N-OE2 2.94Å; W356-E358 HydrophobicContact CB-CB 4.15Å; W356-E358 PolarHBondContact O-N 2.94Å; W356-E358 VanDerWaalsContact O-N 3.15Å
359M95.6Very high86.8Confident102 Ų10269.1 Ų69.150%0.50235%0.347SS..EExtended strand (participates in β ladder)trans-91.3124.7175.5-179.7179.9-73.500110.9L305 V307L305-M359 HydrophobicContact CD1-CE 4.46Å; L305-M359 HydrophobicContact CD1-SD 4.48Å; L305-M359 HydrophobicContact CD2-SD 4.31Å; V307-M359 HydrophobicContact CG2-CB 4.02Å; V307-M359 HydrophobicContact CG2-CE 3.64Å; V307-M359 HydrophobicContact CG2-CG 3.97Å
360I96.4Very high87.8Confident5 Ų569.2 Ų69.23%0.02635%0.349CS..EExtended strand (participates in β ladder)trans-111.8121.1173.6-64179.8000108.2V306 V331 K343 T345 F362V306-I360 PolarHBondContact N-O 2.66Å; V306-I360 PolarHBondContact O-N 2.96Å; V331-I360 HydrophobicContact CB-CD1 4.03Å; V331-I360 HydrophobicContact CG2-CD1 3.61Å; K343-I360 HydrophobicContact CB-CD1 4.33Å; K343-I360 HydrophobicContact CB-CG2 3.7Å; K343-I360 HydrophobicContact CD-CG2 3.48Å; K343-I360 VanDerWaalsContact CD-CG2 3.48Å; K343-I360 HydrophobicContact CG-CG2 4.15Å; T345-I360 HydrophobicContact CG2-CD1 3.89Å; I360-F362 HydrophobicContact CG2-CD2 4.25Å; I360-F362 HydrophobicContact CG2-CE1 4.27Å; I360-F362 HydrophobicContact CG2-CE2 3.51Å; I360-F362 HydrophobicContact CG2-CZ 3.52Å
361M96.4Very high89.2Confident65 Ų6565.3 Ų65.332%0.3234%0.338SS..EExtended strand (participates in β ladder)trans-105.9134.9178.8178.8-173-6400111R303 L304 L305 K343R303-M361 HydrophobicContact CB-CG 4.39Å; R303-M361 VanDerWaalsContact CD-SD 3.56Å; R303-M361 HydrophobicContact CG-CG 4.2Å; R303-M361 HydrophobicContact CG-SD 4.08Å; L304-M361 CarbonylContact O-C 3.43Å; L304-M361 WeakPolarHBondContact O-CA 3.49Å; L305-M361 HydrophobicContact CD2-CB 3.92Å; L305-M361 HydrophobicContact CD2-CE 3.64Å; L305-M361 HydrophobicContact CD2-CG 3.69Å; L305-M361 HydrophobicContact CD2-SD 4.4Å; K343-M361 WeakPolarHBondContact CE-O 3.43Å; K343-M361 PolarHBondContact NZ-O 3.27Å
362F96.6Very high90.7Very high2 Ų259.9 Ų59.91%0.00932%0.315CS..EExtended strand (participates in β ladder)trans-119.1140.6170.8-60.1-79.5000110.7R303 L304 V306 V331 L333 K341 K343 I360R303-F362 CarbonylContact C-O 3.57Å; R303-F362 VanDerWaalsContact CA-O 3.31Å; R303-F362 WeakPolarHBondContact CA-O 3.48Å; L304-F362 HydrophobicContact CB-CB 4.43Å; L304-F362 PolarHBondContact N-O 3.28Å; L304-F362 PolarHBondContact O-N 2.87Å; V306-F362 HydrophobicContact CG2-CD2 4.33Å; V306-F362 HydrophobicContact CG2-CE2 4.23Å; V331-F362 HydrophobicContact CB-CZ 4.24Å; V331-F362 HydrophobicContact CG1-CE2 3.76Å; V331-F362 HydrophobicContact CG1-CZ 3.82Å; L333-F362 HydrophobicContact CB-CD1 3.91Å; L333-F362 HydrophobicContact CB-CD2 4.42Å; L333-F362 HydrophobicContact CB-CE1 4.06Å; L333-F362 HydrophobicContact CB-CG 4.09Å; L333-F362 HydrophobicContact CB-CZ 4.38Å; L333-F362 HydrophobicContact CD2-CB 3.73Å; L333-F362 HydrophobicContact CD2-CD1 4.24Å; L333-F362 HydrophobicContact CD2-CG 4.05Å; K341-F362 HydrophobicContact CB-CD1 3.95Å; K341-F362 HydrophobicContact CB-CE1 4.11Å; K341-F362 HydrophobicContact CD-CD1 4.44Å; K341-F362 HydrophobicContact CG-CD1 4.2Å; K341-F362 HydrophobicContact CG-CE1 4.31Å; K343-F362 HydrophobicContact CB-CE1 4.34Å; K343-F362 HydrophobicContact CB-CZ 4.3Å; K343-F362 HydrophobicContact CD-CD1 4.45Å; K343-F362 HydrophobicContact CD-CE1 3.98Å; K343-F362 HydrophobicContact CD-CZ 4.38Å; K343-F362 HydrophobicContact CG-CE1 3.96Å; K343-F362 HydrophobicContact CG-CZ 4.38Å; I360-F362 HydrophobicContact CG2-CD2 4.25Å; I360-F362 HydrophobicContact CG2-CE1 4.27Å; I360-F362 HydrophobicContact CG2-CE2 3.51Å; I360-F362 HydrophobicContact CG2-CZ 3.52Å
363E95.7Very high92.2Very high133 Ų13356.6 Ų56.662%0.62130%0.298SS*.EExtended strand (participates in β ladder)trans-82.3118.5167.5-67.5170.2165.200107.5N302N302-E363 CarbonylContact O-C 3.55Å; N302-E363 WeakPolarHBondContact O-CA 3.38Å
364L95.1Very high93.1Very high1 Ų152.4 Ų52.41%0.00528%0.275CS..  trans-145108.2-175.818060.3000109Y297 N302 L304 L333 L368 L369Y297-L364 WeakPolarHBondContact CE2-O 3.22Å; Y297-L364 PolarHBondContact OH-O 2.89Å; N302-L364 CarbonylContact C-O 3.58Å; N302-L364 VanDerWaalsContact C-O 3.31Å; N302-L364 WeakPolarHBondContact CA-O 3.28Å; N302-L364 CarbonylContact O-C 3.58Å; N302-L364 PolarHBondContact O-N 3.25Å; L304-L364 HydrophobicContact CB-CB 4.47Å; L304-L364 HydrophobicContact CB-CD2 4.37Å; L304-L364 HydrophobicContact CD2-CD2 4.21Å; L333-L364 HydrophobicContact CD1-CD2 4.07Å; L333-L364 HydrophobicContact CD2-CB 4.36Å; L333-L364 HydrophobicContact CD2-CD1 4.33Å; L364-L368 HydrophobicContact CD1-CB 3.83Å; L364-L369 HydrophobicContact CD2-CD1 3.58Å; L364-L369 HydrophobicContact CG-CD1 4.45Å
365P94.7Very high93.7Very high58 Ų5855.1 Ų55.138%0.37729%0.288SS..  trans-54.8142.3172.4-25.334000112.2D367 L368 L369P365-D367 VanDerWaalsContact C-N 3.25Å; P365-D367 PolarHBondContact O-N 3.07Å; P365-L368 HydrophobicContact CB-CD1 4.5Å; P365-L368 HydrophobicContact CB-CG 4.36Å; P365-L368 HydrophobicContact CG-CD1 4.22Å; P365-L368 PolarHBondContact O-N 2.9Å; P365-L369 PolarHBondContact O-N 3.41Å
366D92.3Very high94.1Very high80 Ų8051.8 Ų51.843%0.42827%0.267SS..Hα-helixtrans-56.3-40.2-178.6-168.767.9000112.2Y297 N302 L368 L369Y297-D366 HydrophobicContact CE1-CB 4.42Å; Y297-D366 VanDerWaalsContact CE1-OD1 3.29Å; Y297-D366 WeakPolarHBondContact CE1-OD1 3.37Å; Y297-D366 WeakPolarHBondContact OH-CA 3.34Å; Y297-D366 PolarHBondContact OH-N 3.24Å; N302-D366 PolarHBondContact OD1-N 3.17Å; D366-L368 PolarHBondContact O-N 3.3Å; D366-L369 VanDerWaalsContact O-CB 3.23Å; D366-L369 WeakPolarHBondContact O-CB 3.33Å; D366-L369 PolarHBondContact O-N 3.01Å
367D92.1Very high94.3Very high151 Ų15153.2 Ų53.281%0.80728%0.275SS*.Hα-helixtrans-57-27.8177.8-55.1-36.2000113.5P365P365-D367 VanDerWaalsContact C-N 3.25Å; P365-D367 PolarHBondContact O-N 3.07Å
368L92.6Very high94.3Very high62 Ų6248.1 Ų48.133%0.32525%0.248SC..Hα-helixtrans-94.4-14.9-178.1-58.4-175.5000112.9H335 L364 P365 D366 Q370 A371 S372H335-L368 PolarHBondContact ND1-O 3.28Å; L364-L368 HydrophobicContact CD1-CB 3.83Å; P365-L368 HydrophobicContact CB-CD1 4.5Å; P365-L368 HydrophobicContact CB-CG 4.36Å; P365-L368 HydrophobicContact CG-CD1 4.22Å; P365-L368 PolarHBondContact O-N 2.9Å; D366-L368 PolarHBondContact O-N 3.3Å; L368-Q370 PolarHBondContact O-N 3.03Å; L368-A371 PolarHBondContact O-N 3.35Å; L368-S372 WeakPolarHBondContact O-CB 3.42Å; L368-S372 PolarHBondContact O-N 3.06Å; L368-S372 PolarHBondContact O-OG 3.41Å
369L92.8Very high94Very high6 Ų646.6 Ų46.63%0.03124%0.241CC..Hα-helixtrans-60.3-41.5-169.2-17866.3000112.9Y297 L364 P365 D366 A371 S372 W407 M410 L411Y297-L369 HydrophobicContact CD1-CD2 3.47Å; Y297-L369 VanDerWaalsContact CD1-CD2 3.47Å; Y297-L369 HydrophobicContact CD2-CD1 3.75Å; Y297-L369 HydrophobicContact CD2-CD2 3.99Å; Y297-L369 HydrophobicContact CE1-CD2 3.64Å; Y297-L369 HydrophobicContact CE2-CD1 3.97Å; Y297-L369 HydrophobicContact CE2-CD2 4.15Å; Y297-L369 HydrophobicContact CG-CD1 4.16Å; Y297-L369 HydrophobicContact CG-CD2 3.66Å; L364-L369 HydrophobicContact CD2-CD1 3.58Å; L364-L369 HydrophobicContact CG-CD1 4.45Å; P365-L369 PolarHBondContact O-N 3.41Å; D366-L369 VanDerWaalsContact O-CB 3.23Å; D366-L369 WeakPolarHBondContact O-CB 3.33Å; D366-L369 PolarHBondContact O-N 3.01Å; L369-A371 VanDerWaalsContact C-N 3.31Å; L369-A371 PolarHBondContact O-N 3.18Å; L369-S372 PolarHBondContact O-N 3.21Å; L369-W407 HydrophobicContact CD1-CH2 4.47Å; L369-W407 HydrophobicContact CD1-CZ2 3.91Å; L369-M410 HydrophobicContact CD1-CE 4.14Å; L369-L411 HydrophobicContact CD2-CD2 3.37Å; L369-L411 HydrophobicContact CG-CD2 3.72Å
370Q91.2Very high93.5Very high145 Ų14541.8 Ų41.868%0.67822%0.218SC*.THydrogen-bonded Turntrans-66.3-33.6-177.7-62.7-172.527.800112.6L368 L397L368-Q370 PolarHBondContact O-N 3.03Å; Q370-L397 HydrophobicContact CB-CD1 4.31Å; Q370-L397 WeakPolarHBondContact O-CD1 3.46Å
371A92.9Very high92.6Very high40 Ų4044.2 Ų44.233%0.33123%0.229SC..THydrogen-bonded Turntrans-96.111.6178.800000113Q336 L368 L369Q336-A371 HydrophobicContact CG-CB 4.29Å; Q336-A371 PolarHBondContact N-O 3.27Å; L368-A371 PolarHBondContact O-N 3.35Å; L369-A371 VanDerWaalsContact C-N 3.31Å; L369-A371 PolarHBondContact O-N 3.18Å
372S95.5Very high91.3Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-101.4158.2179.1-88.10000113K334 H335 L368 L369K334-S372 VanDerWaalsContact O-CA 3.23Å; K334-S372 WeakPolarHBondContact O-CA 3.2Å; K334-S372 VanDerWaalsContact O-CB 3.31Å; K334-S372 WeakPolarHBondContact O-CB 3.23Å; K334-S372 PolarHBondContact O-OG 2.97Å; K334-S372 VanDerWaalsContact O-OG 3.05Å; H335-S372 PolarHBondContact ND1-OG 3.22Å; L368-S372 WeakPolarHBondContact O-CB 3.42Å; L368-S372 PolarHBondContact O-N 3.06Å; L368-S372 PolarHBondContact O-OG 3.41Å; L369-S372 PolarHBondContact O-N 3.21Å
373S95.4Very high89.8Confident0 Ų052.3 Ų52.30%027%0.267CS..EExtended strand (participates in β ladder)trans-146.7160.6173.660.50000112.3K334 L395 H398K334-S373 PolarHBondContact N-O 3.47Å; K334-S373 PolarHBondContact O-N 2.83Å; S373-L395 CarbonylContact C-O 3.53Å; S373-L395 WeakPolarHBondContact CA-O 3.45Å; S373-L395 WeakPolarHBondContact CB-O 3.31Å; S373-H398 WeakPolarHBondContact CB-CE1 2.92Å; S373-H398 PolarHBondContact OG-CE1 3.4Å
374V96.3Very high88.6Confident0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-116119.2175.1174.20000108.9L304 V306 V331 L333 L376 S394 L395 W407L304-V374 HydrophobicContact CD2-CG2 3.62Å; V306-V374 HydrophobicContact CG2-CG1 4.45Å; V306-V374 HydrophobicContact CG2-CG2 4.29Å; V331-V374 HydrophobicContact CG1-CG1 3.44Å; V331-V374 VanDerWaalsContact CG1-CG1 3.44Å; L333-V374 HydrophobicContact CD1-CG2 4.31Å; V374-L376 HydrophobicContact CG1-CD1 4.24Å; V374-L376 HydrophobicContact CG1-CG 4.47Å; V374-S394 CarbonylContact O-C 3.43Å; V374-S394 WeakPolarHBondContact O-CA 3.2Å; V374-L395 PolarHBondContact N-O 3.18Å; V374-L395 PolarHBondContact O-N 2.99Å; V374-W407 HydrophobicContact CB-CZ3 4.37Å; V374-W407 HydrophobicContact CG2-CH2 4.14Å; V374-W407 HydrophobicContact CG2-CZ3 3.84Å
375E95.4Very high87.3Confident57 Ų5751.7 Ų51.727%0.26628%0.284SS..EExtended strand (participates in β ladder)trans-98.5130.6170.3-74.7-179.9-178.500110.4V331 T332 K334 C393V331-E375 CarbonylContact C-O 3.56Å; V331-E375 WeakPolarHBondContact CA-O 3.42Å; T332-E375 PolarHBondContact N-O 3.06Å; T332-E375 PolarHBondContact O-N 3.07Å; K334-E375 HydrophobicContact CD-CG 4.32Å; K334-E375 WeakPolarHBondContact CD-OE1 3.39Å; K334-E375 VanDerWaalsContact CE-OE1 3.31Å; K334-E375 WeakPolarHBondContact CE-OE1 3.31Å; K334-E375 WeakPolarHBondContact CE-OE2 3.43Å; K334-E375 IonicContact NZ-OE1 3.57Å; K334-E375 PolarHBondContact NZ-OE1 3.45Å; K334-E375 IonicContact NZ-OE2 3Å; K334-E375 PolarHBondContact NZ-OE2 3.23Å; E375-C393 CarbonylContact C-O 3.48Å; E375-C393 WeakPolarHBondContact CA-O 3.18Å
376L94.8Very high86.2Confident2 Ų255.7 Ų55.71%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-107.4134.3171.7-60.4105.9000108.9L293 L308 V329 K330 V331 V374 H392 C393 L395L293-L376 HydrophobicContact CD2-CD1 3.77Å; L293-L376 HydrophobicContact CD2-CD2 3.8Å; L293-L376 HydrophobicContact CD2-CG 4.45Å; L308-L376 HydrophobicContact CD1-CD2 3.6Å; L308-L376 HydrophobicContact CD2-CD2 4.24Å; L308-L376 HydrophobicContact CG-CD2 4.48Å; V329-L376 HydrophobicContact CG1-CB 4.24Å; V329-L376 HydrophobicContact CG1-CD2 4.01Å; K330-L376 WeakPolarHBondContact O-CA 3.23Å; V331-L376 HydrophobicContact CG2-CD2 4.17Å; V374-L376 HydrophobicContact CG1-CD1 4.24Å; V374-L376 HydrophobicContact CG1-CG 4.47Å; L376-H392 CarbonylContact O-C 3.57Å; L376-H392 WeakPolarHBondContact O-CA 3.13Å; L376-H392 WeakPolarHBondContact O-CB 3.19Å; L376-C393 HydrophobicContact CD1-CB 4.48Å; L376-C393 PolarHBondContact N-O 3.3Å; L376-C393 PolarHBondContact O-N 3.47Å; L376-L395 HydrophobicContact CD1-CD1 3.11Å
377E92.8Very high85.6Confident58 Ų5855.4 Ų55.427%0.27130%0.302SS..EExtended strand (participates in β ladder)trans-131.9115.3173.7-167.4-175.9136.600107.6K330 L379 A389 G391K330-E377 HydrophobicContact CB-CB 4.35Å; K330-E377 WeakPolarHBondContact CB-O 3.38Å; K330-E377 WeakPolarHBondContact CE-OE2 3.1Å; K330-E377 PolarHBondContact N-O 3.45Å; K330-E377 IonicContact NZ-OE1 3.78Å; K330-E377 PolarHBondContact NZ-OE1 2.87Å; K330-E377 IonicContact NZ-OE2 3.64Å; K330-E377 PolarHBondContact NZ-OE2 2.81Å; K330-E377 PolarHBondContact O-N 2.81Å; E377-L379 HydrophobicContact CG-CD2 4.13Å; E377-L379 WeakPolarHBondContact OE1-CD2 3.41Å; E377-A389 HydrophobicContact CG-CB 4.33Å; E377-G391 CarbonylContact C-O 3.57Å
378V90.4Very high84.9Confident0 Ų050.7 Ų50.70%028%0.28CS..EExtended strand (participates in β ladder)trans-82.6123.2177.3-175.20000107.6L314 V327 V329 L390 G391 L424L314-V378 HydrophobicContact CD1-CG1 4.13Å; L314-V378 HydrophobicContact CD2-CG1 4.28Å; V327-V378 HydrophobicContact CG1-CG1 3.57Å; V329-V378 HydrophobicContact CG2-CG2 4.27Å; V378-L390 HydrophobicContact CB-CB 4.4Å; V378-L390 HydrophobicContact CG1-CB 4.24Å; V378-L390 HydrophobicContact CG1-CD1 4.22Å; V378-L390 PolarHBondContact O-N 2.75Å; V378-G391 PolarHBondContact N-O 2.9Å; V378-L424 HydrophobicContact CB-CD1 4.5Å; V378-L424 HydrophobicContact CG2-CD1 3.73Å; V378-L424 HydrophobicContact CG2-CD2 3.85Å; V378-L424 HydrophobicContact CG2-CG 4.48Å
379L88.3Confident84.5Confident12 Ų1249.9 Ų49.96%0.06328%0.282CS..EExtended strand (participates in β ladder)trans-113131.3-178-62.7-178.1000110.2V327 S328 K330 E377 C388 A389V327-L379 WeakPolarHBondContact CA-O 3.49Å; S328-L379 PolarHBondContact N-O 3.36Å; S328-L379 PolarHBondContact O-N 2.87Å; K330-L379 HydrophobicContact CB-CD1 4.2Å; K330-L379 HydrophobicContact CB-CG 4.47Å; K330-L379 HydrophobicContact CD-CD1 3.81Å; E377-L379 HydrophobicContact CG-CD2 4.13Å; E377-L379 WeakPolarHBondContact OE1-CD2 3.41Å; L379-C388 WeakPolarHBondContact CA-O 3.13Å; L379-A389 HydrophobicContact CD2-CB 4.25Å
380G85.7Confident84Confident1 Ų149.8 Ų49.81%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-101.1129.1165.600000109.3C388G380-C388 PolarHBondContact N-O 3.13Å; G380-C388 PolarHBondContact O-N 2.83Å
381Q76.8Confident83.8Confident55 Ų5543 Ų4326%0.25725%0.25SS..EExtended strand (participates in β ladder)trans-103.6128.5175.9-166.3171.714.100109.7K325 D326 G385 Q386K325-Q381 WeakPolarHBondContact CA-O 3.2Å; K325-Q381 WeakPolarHBondContact CB-O 3.39Å; K325-Q381 WeakPolarHBondContact CG-O 3.45Å; D326-Q381 PolarHBondContact N-O 3.17Å; D326-Q381 PolarHBondContact O-N 2.92Å; Q381-G385 PolarHBondContact NE2-O 2.76Å; Q381-Q386 WeakPolarHBondContact CA-O 3.48Å
382D69.4Low83.6Confident40 Ų4044.9 Ų44.921%0.21425%0.252CS..PPolyproline II helixtrans-79173.6174.974-1.6000112.4K325 S384 G385 Q386K325-D382 HydrophobicContact CD-CB 4.04Å; D382-S384 PolarHBondContact O-N 3.18Å; D382-S384 VanDerWaalsContact OD1-C 3.27Å; D382-S384 WeakPolarHBondContact OD1-CA 3.32Å; D382-S384 PolarHBondContact OD1-N 3.18Å; D382-S384 VanDerWaalsContact OD1-N 3.08Å; D382-S384 PolarHBondContact OD1-OG 3.03Å; D382-S384 PolarHBondContact OD2-OG 2.84Å; D382-G385 PolarHBondContact O-N 3.38Å; D382-G385 PolarHBondContact OD1-N 2.82Å; D382-Q386 PolarHBondContact N-O 3.49Å; D382-Q386 WeakPolarHBondContact OD1-CA 3.43Å; D382-Q386 PolarHBondContact OD1-N 2.86Å
383E66.6Low83.5Confident197 Ų19744.9 Ų44.992%0.92125%0.252SS*.THydrogen-bonded Turntrans-64.3-22.6176.6-60.2-175.415600112.5G385E383-G385 VanDerWaalsContact C-N 3.26Å; E383-G385 PolarHBondContact O-N 2.79Å
384S68.8Low83.4Confident86 Ų8646.2 Ų46.260%0.60126%0.261SS*.THydrogen-bonded Turntrans-80.8-5.6175.787.90000113.4D382 Q386D382-S384 PolarHBondContact O-N 3.18Å; D382-S384 VanDerWaalsContact OD1-C 3.27Å; D382-S384 WeakPolarHBondContact OD1-CA 3.32Å; D382-S384 PolarHBondContact OD1-N 3.18Å; D382-S384 VanDerWaalsContact OD1-N 3.08Å; D382-S384 PolarHBondContact OD1-OG 3.03Å; D382-S384 PolarHBondContact OD2-OG 2.84Å; S384-Q386 VanDerWaalsContact C-N 3.34Å
385G68Low83.3Confident36 Ų3646.2 Ų46.237%0.37126%0.261SS..  trans84.1-0.2-179.200000114.9Q381 D382 E383Q381-G385 PolarHBondContact NE2-O 2.76Å; D382-G385 PolarHBondContact O-N 3.38Å; D382-G385 PolarHBondContact OD1-N 2.82Å; E383-G385 VanDerWaalsContact C-N 3.26Å; E383-G385 PolarHBondContact O-N 2.79Å
386Q72.8Confident83.1Confident141 Ų14143.5 Ų43.566%0.65925%0.249SC*.  trans-70.6133.3173.8-66.2-168.3-2.800111.2Q381 D382 S384Q381-Q386 WeakPolarHBondContact CA-O 3.48Å; D382-Q386 PolarHBondContact N-O 3.49Å; D382-Q386 WeakPolarHBondContact OD1-CA 3.43Å; D382-Q386 PolarHBondContact OD1-N 2.86Å; S384-Q386 VanDerWaalsContact C-N 3.34Å
387S78.1Confident82.9Confident74 Ų7445.6 Ų45.652%0.51726%0.26SS..EExtended strand (participates in β ladder)trans-95.6123.7178.9-60.90000110.4
388C79.5Confident82.6Confident52 Ų5248.3 Ų48.335%0.35127%0.272SS..EExtended strand (participates in β ladder)trans-110.1134.1173.6-176.80000109.9L379 G380 L390L379-C388 WeakPolarHBondContact CA-O 3.13Å; G380-C388 PolarHBondContact N-O 3.13Å; G380-C388 PolarHBondContact O-N 2.83Å; C388-L390 PolarHBondContact O-N 2.76Å
389A83.8Confident82.3Confident46 Ų4649.6 Ų49.638%0.3828%0.28SS..EExtended strand (participates in β ladder)trans-73.6121.317400000109.4E377 L379E377-A389 HydrophobicContact CG-CB 4.33Å; L379-A389 HydrophobicContact CD2-CB 4.25Å
390L80.9Confident81.8Confident4 Ų453.8 Ų53.82%0.02131%0.31CS..EExtended strand (participates in β ladder)trans-87.6-35.4178.2-52.5-171.8000111A288 L322 V327 V378 C388 L426A288-L390 WeakPolarHBondContact CB-O 3.42Å; L322-L390 HydrophobicContact CD1-CD2 4.05Å; L322-L390 HydrophobicContact CD2-CD1 3.85Å; L322-L390 HydrophobicContact CD2-CD2 3.31Å; L322-L390 HydrophobicContact CD2-CG 4.23Å; L322-L390 HydrophobicContact CG-CD2 4.24Å; V327-L390 HydrophobicContact CG1-CD1 4.28Å; V327-L390 HydrophobicContact CG2-CD1 4.47Å; V378-L390 HydrophobicContact CB-CB 4.4Å; V378-L390 HydrophobicContact CG1-CB 4.24Å; V378-L390 HydrophobicContact CG1-CD1 4.22Å; V378-L390 PolarHBondContact O-N 2.75Å; C388-L390 PolarHBondContact O-N 2.76Å; L390-L426 WeakPolarHBondContact O-CD2 3.47Å
391G86.8Confident81.9Confident1 Ų156 Ų561%0.0133%0.334CS..EExtended strand (participates in β ladder)trans179.7168.4176.300000112.1E377 V378 H425E377-G391 CarbonylContact C-O 3.57Å; V378-G391 PolarHBondContact N-O 2.9Å; G391-H425 CarbonylContact C-O 3.53Å; G391-H425 WeakPolarHBondContact CA-O 3.4Å
392H90.2Very high82.3Confident80 Ų8055.8 Ų55.837%0.3734%0.338SS..EExtended strand (participates in β ladder)trans-137.4156.1-177.571.1-84.1000112.3L376 H425 L426L376-H392 CarbonylContact O-C 3.57Å; L376-H392 WeakPolarHBondContact O-CA 3.13Å; L376-H392 WeakPolarHBondContact O-CB 3.19Å; H392-H425 PolarHBondContact N-O 3.11Å; H392-H425 PolarHBondContact ND1-O 3.15Å; H392-H425 PolarHBondContact O-N 3.46Å; H392-L426 PolarHBondContact CE1-O 3.39Å; H392-L426 PolarHBondContact ND1-OXT 3.43Å
393C92.2Very high83.2Confident1 Ų154.7 Ų54.71%0.00733%0.332CS..EExtended strand (participates in β ladder)trans-146.4146.5174.5171.60000108.9E375 L376 H422 L424E375-C393 CarbonylContact C-O 3.48Å; E375-C393 WeakPolarHBondContact CA-O 3.18Å; L376-C393 HydrophobicContact CD1-CB 4.48Å; L376-C393 PolarHBondContact N-O 3.3Å; L376-C393 PolarHBondContact O-N 3.47Å; C393-H422 VanDerWaalsContact SG-CB 3.57Å; C393-L424 HydrophobicContact CB-CD2 4.04Å
394S93.1Very high84.4Confident27 Ų2750.4 Ų50.419%0.18931%0.307CS..EExtended strand (participates in β ladder)trans-129.6129.8179.3-175.40000110.8V374 T399 E403V374-S394 CarbonylContact O-C 3.43Å; V374-S394 WeakPolarHBondContact O-CA 3.2Å; S394-T399 WeakPolarHBondContact O-CG2 3.4Å; S394-E403 WeakPolarHBondContact O-CB 3.43Å; S394-E403 VanDerWaalsContact O-CG 3.24Å; S394-E403 WeakPolarHBondContact O-CG 3.4Å
395L93.9Very high85.4Confident0 Ų049.3 Ų49.30%030%0.299CS..EExtended strand (participates in β ladder)trans-112.6125.9175.9-6192.5000110.2L293 I295 S373 V374 L376 H406 W407 H422L293-L395 HydrophobicContact CD1-CD1 4.35Å; L293-L395 HydrophobicContact CD1-CD2 3.97Å; L293-L395 HydrophobicContact CD2-CD1 4.11Å; I295-L395 HydrophobicContact CD1-CD2 4.23Å; S373-L395 CarbonylContact C-O 3.53Å; S373-L395 WeakPolarHBondContact CA-O 3.45Å; S373-L395 WeakPolarHBondContact CB-O 3.31Å; V374-L395 PolarHBondContact N-O 3.18Å; V374-L395 PolarHBondContact O-N 2.99Å; L376-L395 HydrophobicContact CD1-CD1 3.11Å; L395-H406 HydrophobicContact CD2-CB 4.22Å; L395-W407 HydrophobicContact CB-CE3 4.03Å; L395-H422 WeakPolarHBondContact CD2-NE2 3.17Å
396G92.8Very high86.6Confident0 Ų047.6 Ų47.60%028%0.281CS..EExtended strand (participates in β ladder)trans177.4173.1174.100000111H398 T399G396-H398 PolarHBondContact O-N 3.26Å; G396-T399 PolarHBondContact O-N 3.05Å; G396-T399 PolarHBondContact O-OG1 2.96Å
397L90.4Very high87.6Confident46 Ų4640.9 Ų40.924%0.24125%0.25CS..THydrogen-bonded Turntrans-67-19.2178.7-67.6-178.6000113.8Q370 R404 E408 L411Q370-L397 HydrophobicContact CB-CD1 4.31Å; Q370-L397 WeakPolarHBondContact O-CD1 3.46Å; L397-R404 PolarHBondContact O-NH1 2.84Å; L397-R404 VanDerWaalsContact O-NH1 3.16Å; L397-E408 HydrophobicContact CD2-CG 3.71Å; L397-L411 HydrophobicContact CD1-CD1 3.97Å; L397-L411 HydrophobicContact CD2-CD1 3.94Å; L397-L411 HydrophobicContact CG-CD1 4.21Å
398H86.2Confident88.3Confident116 Ų11639.8 Ų39.854%0.53724%0.237SC..THydrogen-bonded Turntrans-87.1-5.6178.859.9-101.5000114S373 G396S373-H398 WeakPolarHBondContact CB-CE1 2.92Å; S373-H398 PolarHBondContact OG-CE1 3.4Å; G396-H398 PolarHBondContact O-N 3.26Å
399T83.9Confident88.9Confident26 Ų2640.8 Ų40.816%0.1624%0.236CC..SBendtrans-88172.1176.165.90000110.5S394 G396 E403 R404S394-T399 WeakPolarHBondContact O-CG2 3.4Å; G396-T399 PolarHBondContact O-N 3.05Å; G396-T399 PolarHBondContact O-OG1 2.96Å; T399-E403 WeakPolarHBondContact OG1-CB 3.31Å; T399-R404 WeakPolarHBondContact O-CB 3.46Å; T399-R404 WeakPolarHBondContact O-CD 3.31Å; T399-R404 PolarHBondContact OG1-N 2.7Å
400S78.9Confident89.5Confident100 Ų10038.6 Ų38.670%0.69922%0.218SC*.  trans-116.9153.517953.10000110.4
401G86Confident90.1Very high49 Ų4941.1 Ų41.151%0.50523%0.231SC..THydrogen-bonded Turntrans84.4-140172.900000114.9E403 S405G401-E403 VanDerWaalsContact C-N 3.3Å; G401-E403 PolarHBondContact O-N 2.92Å; G401-S405 PolarHBondContact O-N 2.82Å; G401-S405 PolarHBondContact O-OG 2.62Å
402S86.9Confident90.4Very high49 Ų4947.6 Ų47.634%0.34326%0.259SS..Hα-helixtrans-63-35-176.3300000113.1S405 H406 M420S402-S405 PolarHBondContact O-N 2.78Å; S402-H406 WeakPolarHBondContact O-CB 3.44Å; S402-H406 PolarHBondContact O-N 2.87Å; S402-M420 WeakPolarHBondContact O-CE 3.38Å
403E88.1Confident90.5Very high18 Ų1845.8 Ų45.88%0.08425%0.252CS..Hα-helixtrans-66.9-44.8-175-71.875.5-177.500110.8S394 T399 G401 W407 H422S394-E403 WeakPolarHBondContact O-CB 3.43Å; S394-E403 VanDerWaalsContact O-CG 3.24Å; S394-E403 WeakPolarHBondContact O-CG 3.4Å; T399-E403 WeakPolarHBondContact OG1-CB 3.31Å; G401-E403 VanDerWaalsContact C-N 3.3Å; G401-E403 PolarHBondContact O-N 2.92Å; E403-W407 PolarHBondContact O-N 2.59Å; E403-H422 IonicContact OE1-ND1 3.2Å
404R90.7Very high90.4Very high107 Ų10748.2 Ų48.240%0.40427%0.268SS..Hα-helixtrans-65.9-47172.9177.4177.9170.7131.23.1111.1L397 T399 H406 W407 E408L397-R404 PolarHBondContact O-NH1 2.84Å; L397-R404 VanDerWaalsContact O-NH1 3.16Å; T399-R404 WeakPolarHBondContact O-CB 3.46Å; T399-R404 WeakPolarHBondContact O-CD 3.31Å; T399-R404 PolarHBondContact OG1-N 2.7Å; R404-H406 PolarHBondContact O-N 2.82Å; R404-W407 PolarHBondContact O-N 3.35Å; R404-W407 VanDerWaalsContact O-N 3.11Å; R404-E408 HydrophobicContact CG-CG 4.28Å; R404-E408 IonicContact CZ-OE1 2.59Å; R404-E408 VanDerWaalsContact CZ-OE1 3.27Å; R404-E408 IonicContact NE-OE1 2.62Å; R404-E408 PolarHBondContact NE-OE1 2.92Å; R404-E408 IonicContact NH2-OE1 2.7Å; R404-E408 PolarHBondContact NH2-OE1 2.8Å; R404-E408 WeakPolarHBondContact O-CG 3.43Å; R404-E408 PolarHBondContact O-N 3.4Å
405S90.8Very high90.4Very high62 Ų6255.5 Ų55.543%0.43429%0.292SS..Hα-helixtrans-57.5-40.9180-57.20000111.1G401 S402 E408 E409G401-S405 PolarHBondContact O-N 2.82Å; G401-S405 PolarHBondContact O-OG 2.62Å; S402-S405 PolarHBondContact O-N 2.78Å; S405-E408 PolarHBondContact O-N 2.7Å; S405-E409 WeakPolarHBondContact O-CB 2.91Å; S405-E409 PolarHBondContact O-N 2.85Å
406H92.6Very high90.3Very high0 Ų062.8 Ų62.80%032%0.319CS..Hα-helixtrans-64.3-44.5176.4-164170.5000112.3L293 I295 L395 S402 R404 E409 M410 I418 M420 H422L293-H406 PolarHBondContact O-CE1 2.78Å; I295-H406 WeakPolarHBondContact CG1-NE2 3.38Å; L395-H406 HydrophobicContact CD2-CB 4.22Å; S402-H406 WeakPolarHBondContact O-CB 3.44Å; S402-H406 PolarHBondContact O-N 2.87Å; R404-H406 PolarHBondContact O-N 2.82Å; H406-E409 PolarHBondContact O-N 2.85Å; H406-M410 PolarHBondContact O-N 2.76Å; H406-M410 VanDerWaalsContact O-N 3.07Å; H406-I418 PolarHBondContact NE2-O 3.27Å; H406-M420 VanDerWaalsContact CA-SD 3.56Å; H406-M420 HydrophobicContact CB-CE 3.88Å; H406-M420 HydrophobicContact CB-CG 4.44Å; H406-M420 HydrophobicContact CB-SD 3.42Å; H406-M420 WeakPolarHBondContact CB-SD 3.33Å; H406-M420 PolarHBondContact CE1-N 2.9Å; H406-H422 AromaticContact CE1-NE2 3.65Å; H406-H422 AromaticContact CG-CE1 3.9Å; H406-H422 AromaticContact CG-NE2 3.95Å; H406-H422 AromaticContact ND1-CE1 3.2Å; H406-H422 PolarHBondContact ND1-CE1 2.88Å; H406-H422 AromaticContact ND1-NE2 2.86Å; H406-H422 PolarHBondContact ND1-NE2 2.76Å
407W94.5Very high90.3Very high0 Ų067.8 Ų67.80%034%0.342CS..Hα-helixtrans-64.3-43.4177.1-164.5-91.3000111.8I295 L304 L369 V374 L395 E403 R404 E409 M410 L411I295-W407 HydrophobicContact CD1-CE3 3.92Å; L304-W407 HydrophobicContact CD1-CH2 4.34Å; L304-W407 HydrophobicContact CD2-CH2 3.77Å; L304-W407 HydrophobicContact CD2-CZ3 4.21Å; L369-W407 HydrophobicContact CD1-CH2 4.47Å; L369-W407 HydrophobicContact CD1-CZ2 3.91Å; V374-W407 HydrophobicContact CB-CZ3 4.37Å; V374-W407 HydrophobicContact CG2-CH2 4.14Å; V374-W407 HydrophobicContact CG2-CZ3 3.84Å; L395-W407 HydrophobicContact CB-CE3 4.03Å; E403-W407 PolarHBondContact O-N 2.59Å; R404-W407 PolarHBondContact O-N 3.35Å; R404-W407 VanDerWaalsContact O-N 3.11Å; W407-E409 VanDerWaalsContact C-N 3.34Å; W407-E409 PolarHBondContact O-N 3.22Å; W407-M410 HydrophobicContact CD2-CE 3.8Å; W407-M410 HydrophobicContact CE3-CE 4Å; W407-M410 HydrophobicContact CG-CE 4.39Å; W407-M410 HydrophobicContact CH2-CE 4.08Å; W407-M410 HydrophobicContact CZ2-CE 3.87Å; W407-M410 HydrophobicContact CZ3-CE 4.13Å; W407-M410 WeakPolarHBondContact O-CB 2.97Å; W407-M410 PolarHBondContact O-N 2.71Å; W407-L411 WeakPolarHBondContact O-CG 3.42Å; W407-L411 PolarHBondContact O-N 2.81Å; W407-L411 VanDerWaalsContact O-N 3.08Å
408E92.9Very high90.3Very high51 Ų5166.4 Ų66.424%0.23834%0.335CS..Hα-helixtrans-60.6-42.2175-73.5-177.7-18000112L397 R404 S405 M410 L411 K412L397-E408 HydrophobicContact CD2-CG 3.71Å; R404-E408 HydrophobicContact CG-CG 4.28Å; R404-E408 IonicContact CZ-OE1 2.59Å; R404-E408 VanDerWaalsContact CZ-OE1 3.27Å; R404-E408 IonicContact NE-OE1 2.62Å; R404-E408 PolarHBondContact NE-OE1 2.92Å; R404-E408 IonicContact NH2-OE1 2.7Å; R404-E408 PolarHBondContact NH2-OE1 2.8Å; R404-E408 WeakPolarHBondContact O-CG 3.43Å; R404-E408 PolarHBondContact O-N 3.4Å; S405-E408 PolarHBondContact O-N 2.7Å; E408-M410 VanDerWaalsContact C-N 3.3Å; E408-M410 PolarHBondContact O-N 2.88Å; E408-L411 PolarHBondContact O-N 2.91Å; E408-K412 WeakPolarHBondContact O-CG 3.33Å; E408-K412 PolarHBondContact O-N 2.9Å
409E91.8Very high90.6Very high73 Ų7363.6 Ų63.634%0.34133%0.332SS..Hα-helixtrans-64.4-37.4179-160.460.6-156.400111.5S405 H406 W407 K412 N413 I418S405-E409 WeakPolarHBondContact O-CB 2.91Å; S405-E409 PolarHBondContact O-N 2.85Å; H406-E409 PolarHBondContact O-N 2.85Å; W407-E409 VanDerWaalsContact C-N 3.34Å; W407-E409 PolarHBondContact O-N 3.22Å; E409-K412 PolarHBondContact O-N 2.9Å; E409-N413 WeakPolarHBondContact O-CB 3.38Å; E409-N413 PolarHBondContact O-N 3.33Å; E409-N413 PolarHBondContact O-ND2 3.37Å; E409-N413 PolarHBondContact OE1-ND2 3.43Å; E409-I418 HydrophobicContact CB-CD1 3.94Å; E409-I418 HydrophobicContact CB-CG2 4.48Å; E409-I418 HydrophobicContact CG-CD1 3.66Å; E409-I418 HydrophobicContact CG-CG1 4.27Å; E409-I418 HydrophobicContact CG-CG2 4.23Å; E409-I418 WeakPolarHBondContact O-CD1 3.43Å
410M95.4Very high90.9Very high0 Ų064.8 Ų64.80%034%0.336CS..Hα-helixtrans-62.5-42.6173-178.1-16265.100112.1I295 L304 L369 H406 W407 E408 N413 I418I295-M410 HydrophobicContact CB-CG 4.47Å; I295-M410 HydrophobicContact CB-SD 3.84Å; I295-M410 HydrophobicContact CD1-CB 3.77Å; I295-M410 HydrophobicContact CD1-CE 4.48Å; I295-M410 HydrophobicContact CD1-CG 4.21Å; I295-M410 HydrophobicContact CD1-SD 3.76Å; I295-M410 HydrophobicContact CG1-CB 3.91Å; I295-M410 HydrophobicContact CG1-CG 4.1Å; I295-M410 HydrophobicContact CG1-SD 3.89Å; L304-M410 HydrophobicContact CD1-CE 4.08Å; L304-M410 HydrophobicContact CD1-SD 3.43Å; L304-M410 WeakPolarHBondContact CD1-SD 3.4Å; L369-M410 HydrophobicContact CD1-CE 4.14Å; H406-M410 PolarHBondContact O-N 2.76Å; H406-M410 VanDerWaalsContact O-N 3.07Å; W407-M410 HydrophobicContact CD2-CE 3.8Å; W407-M410 HydrophobicContact CE3-CE 4Å; W407-M410 HydrophobicContact CG-CE 4.39Å; W407-M410 HydrophobicContact CH2-CE 4.08Å; W407-M410 HydrophobicContact CZ2-CE 3.87Å; W407-M410 HydrophobicContact CZ3-CE 4.13Å; W407-M410 WeakPolarHBondContact O-CB 2.97Å; W407-M410 PolarHBondContact O-N 2.71Å; E408-M410 VanDerWaalsContact C-N 3.3Å; E408-M410 PolarHBondContact O-N 2.88Å; M410-N413 CarbonylContact O-C 3.31Å; M410-N413 PolarHBondContact O-N 3.45Å; M410-I418 HydrophobicContact CB-CD1 4.44Å
411L93.6Very high91.4Very high57 Ų5764.3 Ų64.330%0.29832%0.319SS..Hα-helixtrans-66.6-39.9177.8-65.3176.3000111.9L369 L397 W407 E408 N413L369-L411 HydrophobicContact CD2-CD2 3.37Å; L369-L411 HydrophobicContact CG-CD2 3.72Å; L397-L411 HydrophobicContact CD1-CD1 3.97Å; L397-L411 HydrophobicContact CD2-CD1 3.94Å; L397-L411 HydrophobicContact CG-CD1 4.21Å; W407-L411 WeakPolarHBondContact O-CG 3.42Å; W407-L411 PolarHBondContact O-N 2.81Å; W407-L411 VanDerWaalsContact O-N 3.08Å; E408-L411 PolarHBondContact O-N 2.91Å; L411-N413 VanDerWaalsContact C-N 3.31Å; L411-N413 PolarHBondContact O-N 2.79Å
412K93.5Very high91.5Very high137 Ų13762 Ų6260%0.59630%0.296SS*.Hα-helixtrans-67.2-31.6177.5-71170.5-170166.60112.5E408 E409 P414E408-K412 WeakPolarHBondContact O-CG 3.33Å; E408-K412 PolarHBondContact O-N 2.9Å; E409-K412 PolarHBondContact O-N 2.9Å; K412-P414 VanDerWaalsContact C-CD 3.48Å; K412-P414 WeakPolarHBondContact O-CD 3.45Å
413N92.3Very high91.5Very high42 Ų4262.5 Ų62.523%0.22529%0.292CS..SBendtrans-120.969.4-175.4-57.7-92.6000111.6E409 M410 L411 R416 I418E409-N413 WeakPolarHBondContact O-CB 3.38Å; E409-N413 PolarHBondContact O-N 3.33Å; E409-N413 PolarHBondContact O-ND2 3.37Å; E409-N413 PolarHBondContact OE1-ND2 3.43Å; M410-N413 CarbonylContact O-C 3.31Å; M410-N413 PolarHBondContact O-N 3.45Å; L411-N413 VanDerWaalsContact C-N 3.31Å; L411-N413 PolarHBondContact O-N 2.79Å; N413-R416 HydrophobicContact CB-CB 3.81Å; N413-R416 HydrophobicContact CB-CG 4.5Å; N413-R416 WeakPolarHBondContact O-CB 3.39Å; N413-R416 PolarHBondContact O-N 3.31Å; N413-R416 VanDerWaalsContact O-N 3.12Å; N413-I418 HydrophobicContact CB-CD1 4.18Å
414P90.3Very high91.5Very high53 Ų5361.6 Ų61.634%0.34429%0.288SS..THydrogen-bonded Turntrans-59.7144.617926.3-34.4000111P299 K412 R416P299-P414 HydrophobicContact CG-CB 3.98Å; K412-P414 VanDerWaalsContact C-CD 3.48Å; K412-P414 WeakPolarHBondContact O-CD 3.45Å; P414-R416 PolarHBondContact O-N 3.27Å
415R92.4Very high91.1Very high180 Ų18060.4 Ų60.468%0.67929%0.287SS*.THydrogen-bonded Turntrans69.5-13.9-172.5-50.8171.4-74.2-105-1.8115.8S296 Y297 L298S296-R415 PolarHBondContact OG-O 3.45Å; Y297-R415 WeakPolarHBondContact O-CA 3.28Å; Y297-R415 PolarHBondContact O-N 3.3Å; L298-R415 HydrophobicContact CD2-CB 4.08Å; L298-R415 HydrophobicContact CD2-CG 3.89Å
416R92.4Very high90.2Very high152 Ų15262.7 Ų62.757%0.57429%0.294SS*.  trans-81.3131.2174.8-170.4178.3177.2173.3-1.1109.6S296 N413 P414 I418S296-R416 PolarHBondContact OG-O 2.82Å; N413-R416 HydrophobicContact CB-CB 3.81Å; N413-R416 HydrophobicContact CB-CG 4.5Å; N413-R416 WeakPolarHBondContact O-CB 3.39Å; N413-R416 PolarHBondContact O-N 3.31Å; N413-R416 VanDerWaalsContact O-N 3.12Å; P414-R416 PolarHBondContact O-N 3.27Å; R416-I418 HydrophobicContact CG-CG1 4.36Å
417Q92.1Very high90.1Very high105 Ų10565.9 Ų65.949%0.49131%0.308SS..  trans-83.1120.8170.2-171.1174.2-1.500109.2S294 V307S294-Q417 WeakPolarHBondContact OG-CG 3.31Å; S294-Q417 PolarHBondContact OG-NE2 3.05Å; V307-Q417 VanDerWaalsContact CG2-NE2 3.33Å
418I90.3Very high89.9Confident18 Ų1869.3 Ų69.39%0.09233%0.325CS..EExtended strand (participates in β ladder)trans-113.7132.6178.9-65.1147.5000107.2S294 I295 H406 E409 M410 N413 R416 M420S294-I418 CarbonylContact C-O 3.54Å; S294-I418 WeakPolarHBondContact CA-O 3.47Å; S294-I418 WeakPolarHBondContact CB-O 3.46Å; I295-I418 PolarHBondContact N-O 3.06Å; I295-I418 PolarHBondContact O-N 2.94Å; H406-I418 PolarHBondContact NE2-O 3.27Å; E409-I418 HydrophobicContact CB-CD1 3.94Å; E409-I418 HydrophobicContact CB-CG2 4.48Å; E409-I418 HydrophobicContact CG-CD1 3.66Å; E409-I418 HydrophobicContact CG-CG1 4.27Å; E409-I418 HydrophobicContact CG-CG2 4.23Å; E409-I418 WeakPolarHBondContact O-CD1 3.43Å; M410-I418 HydrophobicContact CB-CD1 4.44Å; N413-I418 HydrophobicContact CB-CD1 4.18Å; R416-I418 HydrophobicContact CG-CG1 4.36Å; I418-M420 HydrophobicContact CG2-CG 4.35Å
419A93.1Very high89.7Confident56 Ų5670.3 Ų70.346%0.46333%0.329SS..EExtended strand (participates in β ladder)trans-117.4132.5-179.100000110.2L292 L293 I309L292-A419 HydrophobicContact CD1-CB 4.41Å; L293-A419 WeakPolarHBondContact O-CA 3.45Å; I309-A419 HydrophobicContact CD1-CB 4.26Å
420M90.1Very high89.6Confident52 Ų5270.2 Ų70.226%0.25633%0.329SS..EExtended strand (participates in β ladder)trans-145.7151.4177.3-61.5177.841.300111.3L292 L293 S402 H406 I418L292-M420 WeakPolarHBondContact CD1-O 2.91Å; L293-M420 PolarHBondContact N-O 3.08Å; L293-M420 PolarHBondContact O-N 2.68Å; S402-M420 WeakPolarHBondContact O-CE 3.38Å; H406-M420 VanDerWaalsContact CA-SD 3.56Å; H406-M420 HydrophobicContact CB-CE 3.88Å; H406-M420 HydrophobicContact CB-CG 4.44Å; H406-M420 HydrophobicContact CB-SD 3.42Å; H406-M420 WeakPolarHBondContact CB-SD 3.33Å; H406-M420 PolarHBondContact CE1-N 2.9Å; I418-M420 HydrophobicContact CG2-CG 4.35Å
421W89.5Confident89.2Confident90 Ų9074.6 Ų74.634%0.34135%0.349SS..EExtended strand (participates in β ladder)trans-78.7142.1168.6-71.999.2000110.4E290 V291 L292 K310 K312E290-W421 HydrophobicContact CB-CE3 3.95Å; E290-W421 HydrophobicContact CB-CZ3 4.27Å; V291-W421 CarbonylContact O-C 3.47Å; V291-W421 WeakPolarHBondContact O-CA 3.19Å; L292-W421 HydrophobicContact CB-CD2 3.79Å; L292-W421 HydrophobicContact CB-CE3 3.7Å; L292-W421 HydrophobicContact CB-CH2 3.8Å; L292-W421 HydrophobicContact CB-CZ2 3.88Å; L292-W421 HydrophobicContact CB-CZ3 3.69Å; L292-W421 HydrophobicContact CD1-CD2 4.19Å; L292-W421 HydrophobicContact CD1-CG 4.16Å; L292-W421 HydrophobicContact CD2-CZ2 4Å; L292-W421 HydrophobicContact CG-CD2 4.44Å; L292-W421 HydrophobicContact CG-CZ2 4.42Å; K310-W421 HydrophobicContact CD-CH2 4.4Å; K310-W421 HydrophobicContact CG-CH2 4.06Å; K312-W421 HydrophobicContact CB-CH2 4.5Å; K312-W421 HydrophobicContact CD-CH2 3.75Å; K312-W421 HydrophobicContact CD-CZ2 4.34Å; K312-W421 HydrophobicContact CD-CZ3 3.95Å; K312-W421 HydrophobicContact CG-CH2 3.87Å; K312-W421 HydrophobicContact CG-CZ3 3.71Å
422H88.7Confident88.9Confident1 Ų175.7 Ų75.71%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-132.8145.9171.5-54.2-80.7000110.6E290 V291 L293 C393 L395 E403 H406E290-H422 CarbonylContact C-O 3.54Å; E290-H422 VanDerWaalsContact CA-O 3.31Å; E290-H422 WeakPolarHBondContact CA-O 3.33Å; V291-H422 HydrophobicContact CG1-CB 4.31Å; V291-H422 PolarHBondContact N-O 2.79Å; V291-H422 PolarHBondContact O-N 2.7Å; L293-H422 VanDerWaalsContact CD2-CD2 3.49Å; L293-H422 WeakPolarHBondContact CD2-CD2 3.35Å; C393-H422 VanDerWaalsContact SG-CB 3.57Å; L395-H422 WeakPolarHBondContact CD2-NE2 3.17Å; E403-H422 IonicContact OE1-ND1 3.2Å; H406-H422 AromaticContact CE1-NE2 3.65Å; H406-H422 AromaticContact CG-CE1 3.9Å; H406-H422 AromaticContact CG-NE2 3.95Å; H406-H422 AromaticContact ND1-CE1 3.2Å; H406-H422 PolarHBondContact ND1-CE1 2.88Å; H406-H422 AromaticContact ND1-NE2 2.86Å; H406-H422 PolarHBondContact ND1-NE2 2.76Å
423Q86.6Confident88.6Confident58 Ų5871.4 Ų71.427%0.27134%0.335SS..EExtended strand (participates in β ladder)trans-76.7139.4174.3-165.768.34200109.2G289 E290G289-Q423 PolarHBondContact O-NE2 3.49Å; E290-Q423 VanDerWaalsContact CG-OE1 3.31Å
424L87.3Confident88.3Confident0 Ų073.6 Ų73.60%034%0.344CS..EExtended strand (participates in β ladder)trans-90134.4170.2-61.7169.8000109.2G287 A288 G289 V291 L314 V378 C393G287-L424 CarbonylContact C-O 3.57Å; G287-L424 VanDerWaalsContact CA-O 3.3Å; G287-L424 WeakPolarHBondContact CA-O 3.43Å; A288-L424 HydrophobicContact CB-CB 3.73Å; A288-L424 PolarHBondContact N-O 3.47Å; G289-L424 VanDerWaalsContact O-CB 3.29Å; G289-L424 WeakPolarHBondContact O-CB 3.48Å; G289-L424 PolarHBondContact O-N 3.43Å; V291-L424 HydrophobicContact CB-CD2 4.26Å; V291-L424 HydrophobicContact CB-CG 4.49Å; V291-L424 HydrophobicContact CG1-CD2 3.75Å; V291-L424 HydrophobicContact CG1-CG 4.28Å; L314-L424 HydrophobicContact CD2-CD1 3.32Å; V378-L424 HydrophobicContact CB-CD1 4.5Å; V378-L424 HydrophobicContact CG2-CD1 3.73Å; V378-L424 HydrophobicContact CG2-CD2 3.85Å; V378-L424 HydrophobicContact CG2-CG 4.48Å; C393-L424 HydrophobicContact CB-CD2 4.04Å
425H83.8Confident88.2Confident82 Ų8275.3 Ų75.338%0.3834%0.344SS..EExtended strand (participates in β ladder)trans-105.4150.5175.7-58.1-71.9000110.1G391 H392G391-H425 CarbonylContact C-O 3.53Å; G391-H425 WeakPolarHBondContact CA-O 3.4Å; H392-H425 PolarHBondContact N-O 3.11Å; H392-H425 PolarHBondContact ND1-O 3.15Å; H392-H425 PolarHBondContact O-N 3.46Å
426L71.5Confident87.8Confident110 Ų11065.8 Ų65.858%0.57631%0.313SS*.  trans-81.60176.2-79.6165.6000111.9A288 L390 H392A288-L426 HydrophobicContact CB-CD2 4.12Å; A288-L426 HydrophobicContact CB-CG 4.06Å; L390-L426 WeakPolarHBondContact O-CD2 3.47Å; H392-L426 PolarHBondContact CE1-O 3.39Å; H392-L426 PolarHBondContact ND1-OXT 3.43Å

Retrieved 426 of 426 residues in 145.9 ms (Link to these results)