A0A061IJR4_CRIGR Loading...

E74-like factor 2

AlphaFold DB , UniProt , Accession A0A061IJR4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Elf2, Length 580 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low37.5Very low237 Ų237120.7 Ų120.7100%1.16780%0.8SS**  0123.30-61.2165.1-177.300106.3
2T39.5Very low37.6Very low129 Ų129120.8 Ų120.879%0.79180%0.795SS**  cis-161.8147.6-2.122.30000108
3S35.7Very low37.5Very low118 Ų118121.9 Ų121.983%0.82579%0.788SS**  trans35.9147.3148.9-57.40000122.7
4A37.3Very low37.2Very low87 Ų87124.1 Ų124.172%0.71978%0.783SS**  cis-167.6151.6-12.800000111.6
5V35.6Very low36.9Very low127 Ų127125.9 Ų125.977%0.7778%0.783SS**  trans1.1133.7137.3172.70000118.2
6V38.2Very low36.6Very low140 Ų140125.2 Ų125.285%0.84879%0.785SS**  -141.3129.4117.3149.50000108.6
7D35.9Very low36.8Very low125 Ų125124.5 Ų124.567%0.66879%0.785SS**  trans-100158.9168.6170.3-100.5000109.7G9D7-G9 PolarHBondContact OD1-N 3.37Å
8S40.5Very low36.9Very low114 Ų114126.7 Ų126.780%0.79779%0.79SS**  trans-154.696.1148.5-750000109.1
9G36.4Very low36.8Very low66 Ų66124.2 Ų124.268%0.6879%0.792SS**  trans-64.1-168.4178.900000115.9D7D7-G9 PolarHBondContact OD1-N 3.37Å
10G36.7Very low36.8Very low73 Ų73124.8 Ų124.875%0.75379%0.793SS**  cis140.1133.52.500000111.7
11S36.6Very low36.8Very low112 Ų112127.6 Ų127.678%0.78380%0.796SS**  trans-166.2127.3169.9-86.10000109.2
12V38.3Very low36.4Very low122 Ų122122.8 Ų122.874%0.73978%0.776SS**  77114.673.11480000109.6
13L36.6Very low36Very low135 Ų135124.3 Ų124.371%0.70777%0.773SS**  cis-149.4170.814.7-89.6157.3000115
14E33.4Very low36.1Very low153 Ų153127 Ų12772%0.71577%0.773SS**  trans11.9130.4145.1-64.6-174.796.100120.1
15L32.9Very low35.9Very low150 Ų150126.7 Ų126.779%0.78578%0.778SS**  88.6135.253.1-79.3176.7000115
16S31.1Very low35.8Very low115 Ų115124.4 Ų124.480%0.80478%0.781SS**  trans65.1133.4159.1-57.80000117.7
17S40.6Very low35.8Very low114 Ų114125 Ų12580%0.79778%0.779SS**  -153.4155.952-171.10000113.7
18N38.8Very low35.8Very low164 Ų164125.9 Ų125.988%0.87778%0.784SS**  trans-78.1156.1162.2-69.2-14.2000110.6
19G33.9Very low35.8Very low79 Ų79126.6 Ų126.681%0.81478%0.783SS**  trans-169.397.6174.300000111.7
20V38.5Very low36.2Very low135 Ų135128.6 Ų128.682%0.81878%0.784SS**  trans-74.2143.6161.4169.10000108
21E35.5Very low36.7Very low184 Ų184133.4 Ų133.486%0.8679%0.787SS**  trans-162.5172.4136-75.5-131.1123.500109.2
22N32.1Very low36.8Very low137 Ų137138.3 Ų138.373%0.73379%0.79SS**  trans-96.3165.9-153.7-57.7-79.8000116.7
23Q32.6Very low37.4Very low160 Ų160137.9 Ų137.975%0.74879%0.79SS**  113.5130125.9-155.3159.5-4.300119.9
24E36.3Very low37.6Very low174 Ų174135.8 Ų135.881%0.81379%0.792SS**  trans45.2128.9158.8-72.1171.980.900122.2
25G33.8Very low37.9Very low81 Ų81134.9 Ų134.984%0.83580%0.796SS**  trans171.8104.5167.800000114.2
26G33.6Very low38.5Very low79 Ų79135.2 Ų135.281%0.81480%0.797SS**  trans-65.1151.3-164.800000119.8
27D37.5Very low39.1Very low153 Ų153135.7 Ų135.782%0.81880%0.795SS**  trans7.8106.2146.5-92.2-59.7000119.6
28N36Very low39.5Very low143 Ų143138.3 Ų138.377%0.76580%0.795SS**  174.1136.6106-103.4-94.4000112.4
29V40.3Very low39.8Very low129 Ų129135.6 Ų135.678%0.78279%0.786SS**  trans-132.5117.1170.6175.30000110.3
30P46.2Very low40.3Very low109 Ų109138.2 Ų138.271%0.70879%0.786SS**  trans-90.6104160019.9000109.2
31E46.6Very low40.8Very low173 Ų173137.2 Ų137.281%0.80878%0.782SS**PPolyproline II helixtrans-74.5124.9178.7-172.5179.5157.200111.2
32Y39Very low40.7Very low215 Ų215134.2 Ų134.284%0.84378%0.782SS**PPolyproline II helixtrans-89.6118.7172.1-84-96.4000109.9
33P49.5Very low41.2Very low114 Ų114132.8 Ų132.874%0.7479%0.789SS**PPolyproline II helixtrans-70142.9-176.427.8-34.6000112.4
34A40.9Very low41.3Very low90 Ų90136.2 Ų136.274%0.74480%0.795SS**PPolyproline II helixtrans-71143-173.100000113.9I36A34-I36 PolarHBondContact O-N 3.32Å
35V40.8Very low41.3Very low135 Ų135135.3 Ų135.382%0.81880%0.795SS**  trans-77.2101172.6179.80000109.7V37V35-V37 HydrophobicContact CG1-CG2 4.38Å
36I44.7Very low41.7Very low156 Ų156139.8 Ų139.880%0.879%0.794SS**  trans-84119.9170.9-59.1176.5000108.6A34A34-I36 PolarHBondContact O-N 3.32Å
37V43.8Very low42Very low125 Ų125145 Ų14576%0.75880%0.797SS**  trans-92.6104.1174.4-177.10000109V35V35-V37 HydrophobicContact CG1-CG2 4.38Å
38E48.6Very low42.1Very low169 Ų169141.6 Ų141.679%0.7980%0.798SS**PPolyproline II helixtrans-76.1127.3177.1-165.6179.5142.700111.2V40E38-V40 PolarHBondContact O-N 3.32Å
39P45.3Very low42Very low108 Ų108145.9 Ų145.970%0.70181%0.805SS**PPolyproline II helixtrans-81.4117.1-177.330.9-33.6000112.2P41P39-P41 VanDerWaalsContact O-CD 3.3Å; P39-P41 WeakPolarHBondContact O-CD 3.14Å
40V45Very low41.9Very low134 Ų134143.7 Ų143.781%0.81280%0.801SS**PPolyproline II helixtrans-61.9121.3178.6179.40000111.7E38E38-V40 PolarHBondContact O-N 3.32Å
41P48.7Very low41.4Very low114 Ų114143.3 Ų143.374%0.7481%0.807SS**PPolyproline II helixtrans-71.3132.1175.6-19.633.7000112.7P39P39-P41 VanDerWaalsContact O-CD 3.3Å; P39-P41 WeakPolarHBondContact O-CD 3.14Å
42S33.3Very low40.8Very low121 Ų121143.8 Ų143.885%0.84681%0.809SS**PPolyproline II helixtrans-74.1148175.6-70.30000112.9
43A43.8Very low40.7Very low107 Ų107139.6 Ų139.688%0.88481%0.806SS**PPolyproline II helixtrans-63152.2-169.800000115.4
44R34.5Very low39.9Very low232 Ų232141.2 Ų141.288%0.87581%0.807SS**  trans-147110.8168.6-150.3-177.2-168.1-116.31115
45L35.8Very low39.8Very low155 Ų155141.8 Ų141.881%0.81280%0.801SS**  trans65.4155.5149.4-146.765.2000120
46E42.2Very low39.6Very low174 Ų174145.4 Ų145.481%0.81380%0.802SS**  trans-75.8151.5-175.5-54175.910600113.9
47Q39.4Very low39.4Very low190 Ų190144.2 Ų144.289%0.88880%0.797SS**  trans-144.9115.2146.2-106156.63.400108.6
48G39.2Very low39.2Very low81 Ų81145.7 Ų145.784%0.83580%0.8SS**  trans-77.1126.1-173.700000112.5A50G48-A50 PolarHBondContact O-N 2.8Å
49Y33.5Very low39Very low232 Ų232144.7 Ų144.791%0.9180%0.796SS**  trans-84.8109169.8-106.4-94.9000110.6
50A39Very low38.7Very low84 Ų84145.8 Ų145.869%0.69480%0.801SS**  trans-75123.1165.100000109.1G48 Q52G48-A50 PolarHBondContact O-N 2.8Å; A50-Q52 PolarHBondContact O-N 3.31Å; A50-Q52 VanDerWaalsContact O-N 3.13Å
51A36.3Very low38.6Very low100 Ų100147.6 Ų147.683%0.82679%0.794SS**  trans-69.5108.3173.800000109.6V53A51-V53 PolarHBondContact O-N 2.65Å
52Q34.3Very low38.4Very low184 Ų184150.6 Ų150.686%0.8680%0.8SS**  trans-71.2122175.4-70.5171.1-63.400109.6A50 L54A50-Q52 PolarHBondContact O-N 3.31Å; A50-Q52 VanDerWaalsContact O-N 3.13Å; Q52-L54 PolarHBondContact O-N 3.11Å
53V35.2Very low39Very low127 Ų127150.9 Ų150.977%0.7779%0.79SS**  trans-79.7105.6170.2-179.10000107.8A51 V55A51-V53 PolarHBondContact O-N 2.65Å; V53-V55 HydrophobicContact CG1-CG2 3.96Å; V53-V55 PolarHBondContact O-N 3.16Å
54L34Very low38.5Very low148 Ų148154 Ų15478%0.77579%0.786SS**  trans-73.998.6165.2-91.9157.8000108.5Q52 Y56Q52-L54 PolarHBondContact O-N 3.11Å; L54-Y56 HydrophobicContact CD2-CE2 4.2Å
55V39.2Very low38.7Very low101 Ų101149.7 Ų149.761%0.61278%0.781SS**  trans-81.6124.6162.4-177.30000107.4V53V53-V55 HydrophobicContact CG1-CG2 3.96Å; V53-V55 PolarHBondContact O-N 3.16Å
56Y34.9Very low38.7Very low212 Ų212148.3 Ų148.383%0.83178%0.778SS**  trans-115.5111.1156.3-95.6-86.8000106.4L54L54-Y56 HydrophobicContact CD2-CE2 4.2Å
57D41.7Very low38.5Very low130 Ų130143.9 Ų143.970%0.69577%0.771SS**  trans-77.2144.8155.5-84-73.6000108.3
58D39.5Very low38.7Very low156 Ų156143.2 Ų143.283%0.83477%0.768SS**  trans-158124.8139.9-143.30.8000108.1
59E45.1Very low38.5Very low149 Ų149147 Ų14770%0.69676%0.764SS**  trans-81.9155.6-173.349.6-107.258.800115
60T38.6Very low38.7Very low131 Ų131143.4 Ų143.480%0.80476%0.756SS**  trans-143.9118.2148.8-65.30000109.6
61Y41.5Very low38.5Very low171 Ų171146.6 Ų146.667%0.67176%0.756SS**  trans-110131.1-175173.9-83.7000109.2M63Y61-M63 HydrophobicContact CE1-CB 4.09Å; Y61-M63 HydrophobicContact CE1-CG 3.82Å; Y61-M63 HydrophobicContact CE1-SD 4.25Å; Y61-M63 HydrophobicContact CE2-CE 4.45Å; Y61-M63 HydrophobicContact CE2-CG 4.47Å; Y61-M63 WeakPolarHBondContact OH-CE 3.25Å; Y61-M63 PolarHBondContact OH-SD 2.82Å
62M44.8Very low38.3Very low177 Ų177147.5 Ų147.587%0.87275%0.751SS**  trans-136.691.8174.2-73.4-68.4178.100109.5
63M45.5Very low38.3Very low128 Ų128146.6 Ų146.663%0.63175%0.747SS**  trans-84.5142.7154.9-77.8-171.6174.100108.8Y61Y61-M63 HydrophobicContact CE1-CB 4.09Å; Y61-M63 HydrophobicContact CE1-CG 3.82Å; Y61-M63 HydrophobicContact CE1-SD 4.25Å; Y61-M63 HydrophobicContact CE2-CE 4.45Å; Y61-M63 HydrophobicContact CE2-CG 4.47Å; Y61-M63 WeakPolarHBondContact OH-CE 3.25Å; Y61-M63 PolarHBondContact OH-SD 2.82Å
64Q34.7Very low38.2Very low173 Ų173146.1 Ų146.181%0.80875%0.745SS**  trans-153.4105.4159.6-170.861.573.900110.7
65D38.6Very low38.2Very low141 Ų141146.4 Ų146.475%0.75474%0.742SS**  trans-87.4137.3163.5-71.7-75.8000110.3
66V36.1Very low38.1Very low125 Ų125148 Ų14876%0.75875%0.747SS**  trans-167.4104.7153.6175.90000103.4
67A37.8Very low38.1Very low82 Ų82142.6 Ų142.668%0.67874%0.741SS**  74.4135.47800000115.3
68E42.8Very low37.5Very low176 Ų176145 Ų14582%0.82275%0.747SS**  trans22.8143.2137.8-94.1165.214000120
69E34.8Very low37.2Very low160 Ų160143.3 Ų143.375%0.74874%0.743SS**  cis-146.5160.428-63.7-173.8175.800110.5
70Q37.8Very low36.6Very low156 Ų156142.2 Ų142.273%0.72975%0.746SS**  52.6138.997.6-124.6-175.7-59.600114.2
71E34.7Very low36.4Very low151 Ų151144.4 Ų144.471%0.70675%0.748SS**  cis-151.8154.233.2-90.2-177.2150.300111
72V33.5Very low35.9Very low120 Ų120141.2 Ų141.273%0.72776%0.756SS**  61.1131.778.4-1790000112.1
73E34Very low35.3Very low164 Ų164138.5 Ų138.577%0.76676%0.755SS**  cis-152.914842.4-123.5158144.900110.1
74T32.1Very low34.8Very low118 Ų118137.7 Ų137.772%0.72476%0.757SS**  60.1160.598.981.30000117.4
75E34.4Very low34.6Very low153 Ų153137.8 Ų137.872%0.71576%0.757SS**  cis-163.6152.8-5.1135.2170.9-177.500111.2
76N37.7Very low34.4Very low134 Ų134136.9 Ų136.972%0.71776%0.761SS**  trans46.5161155.8-67.9-21.7000121.1
77S34.4Very low34.6Very low100 Ų100136.4 Ų136.470%0.69976%0.764SS**  cis-149.6175.8-9.2-115.70000106.8
78E30.2Very low34.2Very low179 Ų179138.5 Ų138.584%0.83676%0.764SS**  cis-150.6-171.330.1-164.4155.89500111.5
79T32.1Very low34.1Very low121 Ų121135 Ų13574%0.74276%0.764SS**  trans-84.7164-166.753.20000115.9
80V33.1Very low34.3Very low127 Ų127135 Ų13577%0.7776%0.764SS**  -171.2115.9112151.60000111.5
81E33Very low34.3Very low177 Ų177133 Ų13383%0.82777%0.766SS**  trans38.9111.7144.5-49-166.3132.100123.4
82A32.1Very low35Very low103 Ų103131.5 Ų131.585%0.85177%0.767SS**  36.7127.9127.800000122.4
83S32.1Very low36.1Very low120 Ų120132.4 Ų132.484%0.83977%0.768SS**  -161.8158.6108.6-159.20000114
84V34.5Very low37.3Very low111 Ų111133.6 Ų133.667%0.67377%0.771SS**  trans-78.2144.9-171.7-175.50000111.9
85H31Very low38.5Very low175 Ų175133.5 Ų133.581%0.8177%0.77SS**  169.5104.5118.7-88.592.6000113.7
86S33.3Very low39.5Very low122 Ų122132 Ų13285%0.85377%0.766SS**  trans-93123.5165.9-63.90000110.8
87S40.2Very low40.9Very low115 Ų115133.1 Ų133.180%0.80477%0.767SS**  trans179.1126.8148.139.80000112.7
88N30.9Very low42.1Very low127 Ų127131.6 Ų131.668%0.67976%0.761SS**  173.9107.794.8-173.6-17.6000110H90N88-H90 PolarHBondContact OD1-CD2 2.63Å; N88-H90 VanDerWaalsContact OD1-CD2 3.25Å
89A40.1Very low43.4Very low101 Ų101125.6 Ų125.684%0.83574%0.742SS**  trans-140.799.2162.100000107.9C91A89-C91 PolarHBondContact O-N 2.88Å
90H38Very low44.8Very low162 Ų162126 Ų12675%0.7574%0.735SS**  trans-60.7117.3-177.3-85.5-88.3000112.2N88N88-H90 PolarHBondContact OD1-CD2 2.63Å; N88-H90 VanDerWaalsContact OD1-CD2 3.25Å
91C38.9Very low46.1Very low114 Ų114123.5 Ų123.577%0.7773%0.728SS**  trans-95142.4156.9-169.90000108.5A89 D93A89-C91 PolarHBondContact O-N 2.88Å; C91-D93 PolarHBondContact O-N 3Å
92T49.9Very low47.4Very low118 Ų118122 Ų12272%0.72473%0.725SS**  trans-94.584.7-168.754.20000113.5K94T92-K94 VanDerWaalsContact C-N 3.27Å; T92-K94 PolarHBondContact O-N 3.36Å
93D56.9Low48.8Very low139 Ų139124.3 Ų124.374%0.74372%0.722SS**SBendtrans30.231.6138.4-79.7-67.6000121.7C91C91-D93 PolarHBondContact O-N 3Å
94K57.6Low50.2Low189 Ų189126.8 Ų126.882%0.82272%0.72SS**SBendtrans-139.921.8173.4-66.7-162.7175.4-166.30114.4T92T92-K94 VanDerWaalsContact C-N 3.27Å; T92-K94 PolarHBondContact O-N 3.36Å
95T58.1Low51.3Low117 Ų117129.8 Ų129.872%0.71873%0.728SS**SBendtrans-136.8-17.7-179.5-48.80000113.3
96I55.1Low52.1Low122 Ų122130 Ų13063%0.62673%0.73SS**SBendtrans-81.2-45.1178.5-100.4168.8000112.4A98 A99 E100I96-A98 PolarHBondContact O-N 3.16Å; I96-A98 VanDerWaalsContact O-N 3.16Å; I96-A99 WeakPolarHBondContact O-CA 3.47Å; I96-A99 WeakPolarHBondContact O-CB 3.3Å; I96-A99 PolarHBondContact O-N 2.84Å; I96-E100 PolarHBondContact O-N 3.01Å
97E66.6Low52.6Low156 Ų156128.8 Ų128.873%0.72972%0.721SS**Hα-helixtrans-55.8-35.2178.4-174.5-179.6-152.800112.6A99 A101E97-A99 VanDerWaalsContact C-N 3.32Å; E97-A99 PolarHBondContact O-N 3.42Å; E97-A101 PolarHBondContact O-N 2.91Å
98A59.5Low52.9Low69 Ų69129.7 Ų129.757%0.5772%0.724SS**Hα-helixtrans-73.6-18.7176.700000114.2I96I96-A98 PolarHBondContact O-N 3.16Å; I96-A98 VanDerWaalsContact O-N 3.16Å
99A58.6Low53.2Low53 Ų53129.2 Ų129.244%0.43873%0.727SS.*Hα-helixtrans-85.7-40.2175.700000111.4I96 E97 A101 L102I96-A99 WeakPolarHBondContact O-CA 3.47Å; I96-A99 WeakPolarHBondContact O-CB 3.3Å; I96-A99 PolarHBondContact O-N 2.84Å; E97-A99 VanDerWaalsContact C-N 3.32Å; E97-A99 PolarHBondContact O-N 3.42Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.25Å; A99-L102 PolarHBondContact O-N 3.48Å
100E60.7Low52.9Low129 Ų129129.8 Ų129.860%0.60372%0.723SS**Hα-helixtrans-64.9-36.4178.1-64.2-178.2132.900111.8I96 L102 L103I96-E100 PolarHBondContact O-N 3.01Å; E100-L102 PolarHBondContact O-N 2.76Å; E100-L102 VanDerWaalsContact O-N 3.15Å; E100-L103 PolarHBondContact O-N 2.83Å
101A61.8Low52.8Low75 Ų75128.9 Ų128.962%0.6272%0.723SS**THydrogen-bonded Turntrans-61.6-19175.900000114.9E97 A99E97-A101 PolarHBondContact O-N 2.91Å; A99-A101 VanDerWaalsContact C-N 3.32Å; A99-A101 PolarHBondContact O-N 3.25Å
102L59.8Low52.5Low146 Ų146133.9 Ų133.976%0.76473%0.725SS**THydrogen-bonded Turntrans-93.2-8.9179.9-70.4174.6000114A99 E100A99-L102 PolarHBondContact O-N 3.48Å; E100-L102 PolarHBondContact O-N 2.76Å; E100-L102 VanDerWaalsContact O-N 3.15Å
103L62Low51.6Low150 Ų150134.9 Ų134.979%0.78572%0.722SS**SBendtrans-100.5-2.3-175.5-63.8176.1000113.9E100E100-L103 PolarHBondContact O-N 2.83Å
104H60.8Low50.4Low173 Ų173132.7 Ų132.780%0.80172%0.718SS**  trans-108.516.8-172.1-104.3-68.5000115.8E106H104-E106 PolarHBondContact O-N 3.21Å
105M57.3Low49.3Very low173 Ų173135.2 Ų135.285%0.85272%0.722SS**  trans-84.290.2168.5-80.1-13967.600111.7
106E48.2Very low48Very low180 Ų180134.8 Ų134.884%0.84172%0.724SS**PPolyproline II helixtrans-64.6140.3169.4-167.4174.6139.700111.1H104H104-E106 PolarHBondContact O-N 3.21Å
107S42.9Very low47.8Very low96 Ų96133.8 Ų133.867%0.67173%0.725SS**PPolyproline II helixtrans-97.8116.8-177.4-65.90000111.6
108P47.7Very low46.1Very low134 Ų134133.9 Ų133.987%0.8773%0.726SS**PPolyproline II helixtrans-63.7137.8171.7-20.533.3000111.3
109T36.3Very low44.9Very low118 Ų118139.2 Ų139.272%0.72474%0.736SS**  trans-118.7152.6-174.754.40000112.7
110C34.1Very low44Very low113 Ų113142.8 Ų142.876%0.76475%0.747SS**  trans67156.7158.3-65.90000117.6
111L36.7Very low42.8Very low142 Ų142144.5 Ų144.574%0.74375%0.754SS**  cis-160.6145.8-13.2-122.2169.1000110.5
112R32.7Very low41.7Very low219 Ų219145.3 Ų145.383%0.82676%0.761SS**  trans-170.1109.5141.1-97.9-66.4-178.9169.2-6.1106.6
113E29.6Very low40.8Very low139 Ų139142.9 Ų142.965%0.6576%0.762SS**  70.3120.277.1-162.478.9-76.700111.6
114S32.7Very low39.6Very low94 Ų94144.7 Ų144.766%0.65777%0.769SS**  cis-163.1166.79.151.10000112.9
115R33.3Very low38.6Very low241 Ų241147.6 Ų147.691%0.90977%0.773SS**  trans90.1118149.4-144.7179.7-148.6-178.76.5119
116S30.7Very low38.3Very low109 Ų109144.2 Ų144.276%0.76276%0.764SS**  trans-87.3-172.8169.4-27.40000111.7
117P51.1Low37.7Very low100 Ų100142.7 Ų142.765%0.64976%0.761SS**  cis-136.1-163.4-6.544.6-27000114.1
118E30.8Very low37.5Very low158 Ų158144.9 Ų144.974%0.73877%0.771SS**  trans55126.5157.9-61.3172106.300119
119F34.8Very low37.5Very low181 Ų181145.9 Ų145.979%0.79477%0.767SS**  -163.7178.372.2-126-92.3000113.7
120I40Very low37.5Very low128 Ų128146 Ų14666%0.65677%0.767SS**  trans-88.8152.5-178.8-48.5173.1000111.4
121H36.7Very low37.7Very low165 Ų165148.8 Ų148.876%0.76477%0.769SS**  trans138.7151.5135-75.4-71.4000116.6
122A37.1Very low38.1Very low92 Ų92148.5 Ų148.576%0.7677%0.774SS**  trans57.5125.5165.100000117.7
123A41.1Very low38Very low95 Ų95143.4 Ų143.479%0.78577%0.767SS**  cis79.915137.800000115.3
124M36.7Very low38.3Very low189 Ų189143.9 Ų143.993%0.93178%0.779SS**  trans86.6147.1-178-54.3-167.467.200117.6
125R40.2Very low38.4Very low233 Ų233147.2 Ų147.288%0.87978%0.784SS**  trans-114.4-170.1175.1-57.5177.1174.3121.1-8.5107.3
126P52Low38.3Very low102 Ų102141.6 Ų141.666%0.66278%0.776SS**  -118.7-161-56.933-14.8000109.8
127D34.5Very low38.5Very low148 Ų148141.2 Ų141.279%0.79177%0.774SS**  trans48.7111.2154.2-56.4-32.2000120
128V38.1Very low37.7Very low143 Ų143142.2 Ų142.287%0.86778%0.778SS**  trans-162.7152.8132.1126.60000111.9
129I47.5Very low37.8Very low155 Ų155143.2 Ų143.280%0.79578%0.783SS**  trans-90149.3177.548.8169.7000112.3
130T36.6Very low37.4Very low119 Ų119143.1 Ų143.173%0.7379%0.785SS**  trans-179.8122.9154.217.10000106.8
131E38.9Very low37.2Very low172 Ų172141.5 Ų141.580%0.80478%0.784SS**  67.596.875.6-65.3-165.4128.500115.2
132T44.2Very low37.3Very low137 Ų137142.4 Ų142.484%0.8479%0.789SS**  trans-135.8108.8144.9430000105.4
133V31.1Very low37.8Very low111 Ų111143 Ų14367%0.67379%0.785SS**  61.994.260.1-172.10000111.8E135V133-E135 HydrophobicContact CG1-CG 4.41Å
134V36.3Very low37.6Very low149 Ų149147.2 Ų147.290%0.90379%0.791SS**  trans-137.9122.6154.5179.30000105.7
135E34.8Very low37.4Very low165 Ų165145.6 Ų145.677%0.77179%0.786SS**  trans-113.2176.1-172.6-68.9-166.798.100113.5V133V133-E135 HydrophobicContact CG1-CG 4.41Å
136V30.7Very low37.1Very low122 Ų122138.1 Ų138.174%0.73977%0.774SS**  trans74.298.2159.4-166.10000118.3
137S34.6Very low36.3Very low102 Ų102138.9 Ų138.971%0.71378%0.782SS**  -170.4113.3113.7-71.80000106.9
138T34.3Very low36.7Very low121 Ų121137.8 Ų137.874%0.74278%0.783SS**  46.5127.193.360.40000113
139E32.7Very low36.5Very low179 Ų179138.6 Ų138.684%0.83678%0.781SS**  cis-161.6165.335.462.6-150.9139.900113.8
140E28.2Very low36.2Very low179 Ų179136.1 Ų136.184%0.83678%0.775SS**  trans54.4155.1159.8-103.1-161.162.100121.1
141S33.9Very low35.8Very low93 Ų93136.9 Ų136.965%0.6578%0.779SS**  cis-145.9173-6.5-6.90000110.8
142E38.8Very low35.5Very low184 Ų184134 Ų13486%0.8678%0.778SS**  trans-95.2-154.1-172.7-61-169.4111.800115.1
143P48.3Very low35.5Very low105 Ų105133.1 Ų133.168%0.68278%0.775SS**  -133.7154.6-84.839-22.7000116.7
144M36.5Very low35.3Very low184 Ų184134.9 Ų134.991%0.90678%0.78SS**  trans-176.4161151.958.8-77.6-169.300112.3
145D33.4Very low35Very low154 Ų154131.3 Ų131.382%0.82476%0.762SS**  cis-165.4165.3-39.7-177.8-139.5000108.2
146A33.4Very low34.8Very low76 Ų76132.2 Ų132.263%0.62877%0.766SS**  trans56104.4160.400000120.6
147S34.6Very low34.9Very low118 Ų118134.8 Ų134.883%0.82577%0.77SS**  trans-60.5151.4146.8-54.50000110.6
148P44.4Very low35.2Very low125 Ų125134.1 Ų134.181%0.81276%0.763SS**  -150.815785.339.1-20.8000118.2
149I32.9Very low35Very low161 Ų161133.2 Ų133.283%0.82676%0.758SS**  trans-62.9142.6158.1-74.8165.1000108.7
150P41.7Very low35Very low103 Ų103133.1 Ų133.167%0.66975%0.754SS**  -151.9-175.460.137.5-14.3000119.4
151T28.9Very low35.4Very low135 Ų135133.9 Ų133.983%0.82876%0.755SS**  trans79.5110150.731.50000122
152S31.5Very low35.5Very low111 Ų111138.8 Ų138.878%0.77677%0.765SS**  trans-60.4175.7149.7-28.90000112.4
153P44.6Very low35.3Very low119 Ų119139.8 Ų139.877%0.77377%0.766SS**  cis-138.3173.413.642.6-24.1000118.7
154D27.8Very low34.7Very low147 Ų147141 Ų14179%0.78677%0.771SS**  trans-10133.5148.6-157.763.8000116
155S29.4Very low34.6Very low75 Ų75135.5 Ų135.552%0.52476%0.762SS.*  -172176.857-148.30000114.8
156H30.6Very low34.9Very low184 Ų184140.2 Ų140.285%0.85277%0.768SS**  trans82.7138.7163.6-59.9-55000122.8
157E32.9Very low35.1Very low175 Ų175146.2 Ų146.282%0.81878%0.78SS**  trans-68.3-179.1166.8-116.4-147.7107.700113
158P41Very low35.4Very low88 Ų88146.1 Ų146.157%0.57178%0.777SS**  cis-136.9175.14.429-5.2000116.8
159T28.5Very low34.9Very low102 Ų102149.1 Ų149.163%0.62678%0.777SS**  157.4115.5114.1480000118.7
160K34.1Very low34.9Very low177 Ų177146.8 Ų146.877%0.7777%0.77SS**  56.5140.2127.8-50167.6-179169.10122.6
161K37.1Very low34.6Very low196 Ų196148.7 Ų148.785%0.85277%0.77SS**  trans115.676.4141.6-56.8178.8-165.2167.60121.8
162K35.2Very low34.7Very low196 Ų196149.9 Ų149.985%0.85277%0.767SS**  49.3108.6112.2-170.9-174.7-177.9-1800122.1
163K34.7Very low35.1Very low204 Ų204149.8 Ų149.889%0.88777%0.766SS**  trans-164.1119.5146.7-123175.3177.1-179.40107.7
164V34.7Very low35.1Very low131 Ų131149.3 Ų149.379%0.79476%0.763SS**  88.3114.351.9174.30000114.3
165G34.7Very low35.5Very low69 Ų69148.8 Ų148.871%0.71176%0.764SS**  trans111.1145.5172.300000114
166R41.1Very low35.7Very low253 Ų253149.9 Ų149.996%0.95577%0.772SS**  cis-148.5170.2-4.2-70.5179.8171.2163.9-4.6110.1
167K36.7Very low35.8Very low201 Ų201148.8 Ų148.887%0.87477%0.773SS**  trans-132.2147.6163-78.9-167.1175.7-172.70110.1
168P41.4Very low35.7Very low117 Ų117143 Ų14376%0.7676%0.76SS**  -125.5164.3110.67.515.2000110.8
169K32.9Very low35.3Very low187 Ų187144.5 Ų144.581%0.81377%0.772SS**  cis71.9121.445.3-140172.7176.6-179.70110.7
170T32.4Very low36Very low112 Ų112145.3 Ų145.369%0.68778%0.779SS**  -165.4167.568.4-72.40000113.8
171Q35.4Very low35.8Very low143 Ų143145.3 Ų145.367%0.66878%0.782SS**  trans-37.8179.8168.3-64.8166.5-87.900118.7
172Q32Very low36Very low161 Ų161143.4 Ų143.475%0.75278%0.781SS**  cis-172.1-179.9-25.9-96.2168.5-26.300107.1
173S40.5Very low36Very low109 Ų109137.8 Ų137.876%0.76278%0.778SS**  trans-72.5179.6167.5560000113.4
174P44.5Very low36.5Very low108 Ų108134.6 Ų134.670%0.70177%0.769SS**  -155.7153.6105.140.1-22.4000118.9
175V35.7Very low36.7Very low136 Ų136137.8 Ų137.882%0.82477%0.772SS**  trans55.1159.3149.3-56.20000120.3
176S32.6Very low37.1Very low98 Ų98143.9 Ų143.969%0.68578%0.779SS**  cis-158.1174.65.1-137.10000108.3
177N34.2Very low37Very low161 Ų161140.9 Ų140.986%0.86177%0.773SS**  cis-156.9-165-4.3-142.8-8.9000106.4
178G30.8Very low37Very low53 Ų53135.6 Ų135.655%0.54677%0.767SS.*  cis161.6153.2-5.400000113.3
179S31.4Very low37.3Very low120 Ų120138.7 Ų138.784%0.83976%0.763SS**  trans73.3160.8170.8-128.10000117.8
180P44.2Very low38Very low119 Ų119136.8 Ų136.877%0.77376%0.757SS**  -129.7138.5-84.837.3-22000115
181E30.7Very low38.7Very low178 Ų178135 Ų13583%0.83276%0.762SS**  trans-105.1151.6174.7-148.4-165.2102.400113.5
182L40.8Very low39.4Very low156 Ų156135 Ų13582%0.81776%0.759SS**  trans-79145.6-170.2-64.6168.9000113.1I184L182-I184 PolarHBondContact O-N 3.14Å
183G35.7Very low40.5Very low77 Ų77128.1 Ų128.179%0.79473%0.732SS**  trans-6984.4-179.600000113.8K185G183-K185 PolarHBondContact O-N 2.64Å
184I44.9Very low41.4Very low137 Ų137128.9 Ų128.970%0.70373%0.727SS**  trans-57.4102.6167.5-53.7174.3000108L182 K186L182-I184 PolarHBondContact O-N 3.14Å; I184-K186 VanDerWaalsContact C-N 3.3Å; I184-K186 PolarHBondContact O-N 2.75Å
185K39Very low42.8Very low198 Ų198128.7 Ų128.786%0.86172%0.724SS**  trans-67.192.4174.5-77.6-164.6174.4-176.50109.3G183 K187G183-K185 PolarHBondContact O-N 2.64Å; K185-K187 VanDerWaalsContact C-N 3.3Å; K185-K187 PolarHBondContact O-N 3.1Å
186K41.5Very low45.4Very low198 Ų198122.9 Ų122.986%0.86169%0.689SS**  trans-5097.9159.4-78179.4176.8171.20107.8I184 A188I184-K186 VanDerWaalsContact C-N 3.3Å; I184-K186 PolarHBondContact O-N 2.75Å; K186-A188 PolarHBondContact O-N 2.93Å; K186-A188 VanDerWaalsContact O-N 3.16Å
187K38.9Very low48.3Very low190 Ų190124.3 Ų124.383%0.82668%0.681SS**  trans-46.6123.2155.5-66.7-80.5-173.11670105.2K185 R189K185-K187 VanDerWaalsContact C-N 3.3Å; K185-K187 PolarHBondContact O-N 3.1Å; K187-R189 PolarHBondContact O-N 3.13Å
188A38.1Very low51.2Low89 Ų89116.8 Ų116.874%0.73664%0.64SS**  trans-54.8114.1-177.300000107.6K186 E190K186-A188 PolarHBondContact O-N 2.93Å; K186-A188 VanDerWaalsContact O-N 3.16Å; A188-E190 PolarHBondContact O-N 3.26Å
189R46.9Very low54.2Low182 Ų182117 Ų11769%0.68763%0.625SS**  trans-78.394.5-170.3-174174175.5-142.3-16.9107.4K187 G191 K240K187-R189 PolarHBondContact O-N 3.13Å; R189-G191 PolarHBondContact O-N 3.02Å; R189-K240 PolarHBondContact NH2-O 3.42Å
190E48.6Very low57.2Low147 Ų147114 Ų11469%0.68760%0.597SS**  trans-31.7109.8-162.4-163.366.9-174.900113.7A188 K192A188-E190 PolarHBondContact O-N 3.26Å; E190-K192 HydrophobicContact CG-CB 4.28Å; E190-K192 PolarHBondContact O-N 3.13Å
191G46.8Very low59.5Low76 Ų76109 Ų10978%0.78456%0.564SS**THydrogen-bonded Turntrans-7122.7-17000000115.5R189R189-G191 PolarHBondContact O-N 3.02Å
192K50.4Low62.5Low142 Ų142100.6 Ų100.662%0.61752%0.524SS*.THydrogen-bonded Turntrans-86.6-4.7-174.3-143.780.5174.6-165.80114.1E190 N194 T196E190-K192 HydrophobicContact CG-CB 4.28Å; E190-K192 PolarHBondContact O-N 3.13Å; K192-N194 PolarHBondContact O-N 3.25Å; K192-T196 PolarHBondContact O-OG1 3.34Å
193G54.4Low65Low17 Ų1793.3 Ų93.318%0.17549%0.486CS..THydrogen-bonded Turntrans-71.83.7-167.100000117.6
194N60.1Low67.6Low124 Ų12493.1 Ų93.166%0.66347%0.467SS*.THydrogen-bonded Turntrans-83.5-43.7-179.357.2-2.2000112.9K192 K242K192-N194 PolarHBondContact O-N 3.25Å; N194-K242 PolarHBondContact O-NZ 3.48Å
195T74.1Confident69.8Low104 Ų10486.8 Ų86.864%0.63843%0.434SS*.THydrogen-bonded Turntrans-96.3-16.1-174.457.40000115.8Y197T195-Y197 PolarHBondContact O-N 2.95Å
196T89.3Confident72.2Confident15 Ų1577.7 Ų77.79%0.09240%0.395CS..  trans-53.1135.1-178.4-33.10000112.1K192 E200 F201 W238 H241 K242K192-T196 PolarHBondContact O-OG1 3.34Å; T196-E200 WeakPolarHBondContact CA-OE2 3.35Å; T196-E200 HydrophobicContact CG2-CB 3.91Å; T196-F201 HydrophobicContact CG2-CB 4.41Å; T196-W238 WeakPolarHBondContact O-CH2 3.43Å; T196-H241 WeakPolarHBondContact CB-NE2 3.4Å; T196-H241 WeakPolarHBondContact CG2-NE2 3.39Å; T196-H241 PolarHBondContact OG1-NE2 2.81Å; T196-K242 PolarHBondContact O-NZ 3.45Å
197Y94Very high74.4Confident128 Ų12869.9 Ų69.950%0.50236%0.362SS..  trans-83.8158.4169.7-64.6-64.5000111.2T195 W199 E200 F201 W238T195-Y197 PolarHBondContact O-N 2.95Å; Y197-W199 VanDerWaalsContact C-N 3.32Å; Y197-W199 AromaticContact CD2-NE1 3.79Å; Y197-W199 AromaticContact CG-NE1 3.84Å; Y197-W199 PolarHBondContact O-N 3.25Å; Y197-E200 PolarHBondContact N-OE2 3.16Å; Y197-E200 PolarHBondContact O-N 2.96Å; Y197-F201 PolarHBondContact O-N 3.01Å; Y197-F201 VanDerWaalsContact O-N 3.16Å; Y197-W238 VanDerWaalsContact C-CH2 3.43Å
198L94.8Very high76.5Confident2 Ų265 Ų651%0.0134%0.344CS..Hα-helixtrans-65.7-36.3-179.8170.268.1000111.7E200 F201 L202 W238 M252 A255 L256 Y259L198-E200 VanDerWaalsContact C-N 3.34Å; L198-E200 PolarHBondContact O-N 3Å; L198-F201 HydrophobicContact CD1-CD1 4.17Å; L198-F201 PolarHBondContact O-N 2.88Å; L198-L202 HydrophobicContact CD1-CD1 3.95Å; L198-L202 HydrophobicContact CD1-CD2 4.38Å; L198-L202 HydrophobicContact CD1-CG 3.91Å; L198-L202 HydrophobicContact CD2-CD1 4.36Å; L198-L202 HydrophobicContact CG-CD1 3.78Å; L198-L202 HydrophobicContact CG-CG 4.21Å; L198-L202 WeakPolarHBondContact O-CB 3.17Å; L198-L202 VanDerWaalsContact O-CG 3.22Å; L198-L202 WeakPolarHBondContact O-CG 3.17Å; L198-L202 PolarHBondContact O-N 2.83Å; L198-W238 VanDerWaalsContact CA-CH2 3.49Å; L198-W238 HydrophobicContact CB-CH2 4.04Å; L198-W238 HydrophobicContact CB-CZ2 3.61Å; L198-W238 HydrophobicContact CD1-CD2 3.81Å; L198-W238 HydrophobicContact CD1-CE3 4.36Å; L198-W238 HydrophobicContact CD1-CG 3.91Å; L198-W238 HydrophobicContact CD1-CZ2 4.27Å; L198-M252 HydrophobicContact CD1-CG 3.76Å; L198-M252 HydrophobicContact CD1-SD 3.74Å; L198-M252 HydrophobicContact CD2-CG 3.46Å; L198-M252 VanDerWaalsContact CD2-CG 3.46Å; L198-M252 HydrophobicContact CD2-SD 4.39Å; L198-M252 HydrophobicContact CG-CG 4.28Å; L198-A255 HydrophobicContact CB-CB 4.49Å; L198-A255 HydrophobicContact CD2-CB 3.69Å; L198-L256 HydrophobicContact CD2-CD2 3.96Å; L198-L256 HydrophobicContact CD2-CG 4.06Å; L198-Y259 HydrophobicContact CB-CE2 3.89Å; L198-Y259 HydrophobicContact CD2-CE2 4.22Å; L198-Y259 HydrophobicContact CG-CE2 4.25Å; L198-Y259 PolarHBondContact N-OH 3.4Å; L198-Y259 VanDerWaalsContact N-OH 3.15Å
199W94.2Very high77.8Confident58 Ų5866.5 Ų66.522%0.2234%0.335CS..Hα-helixtrans-66.1-36179.872.5-93.4000112.4Y197 L203 Y259 I264 F277 P281Y197-W199 VanDerWaalsContact C-N 3.32Å; Y197-W199 AromaticContact CD2-NE1 3.79Å; Y197-W199 AromaticContact CG-NE1 3.84Å; Y197-W199 PolarHBondContact O-N 3.25Å; W199-L203 WeakPolarHBondContact O-CB 3.46Å; W199-L203 PolarHBondContact O-N 3.11Å; W199-L203 VanDerWaalsContact O-N 3.09Å; W199-Y259 HydrophobicContact CB-CD2 4.22Å; W199-Y259 HydrophobicContact CB-CE2 3.88Å; W199-Y259 AromaticContact CD1-CE1 3.87Å; W199-Y259 AromaticContact CD1-CZ 3.74Å; W199-I264 HydrophobicContact CB-CG2 4.2Å; W199-I264 HydrophobicContact CD2-CG2 4.26Å; W199-I264 HydrophobicContact CG-CG2 4.01Å; W199-F277 HydrophobicContact CB-CE1 4.39Å; W199-F277 HydrophobicContact CE3-CE1 4.38Å; W199-P281 HydrophobicContact CZ3-CG 4.22Å
200E93.1Very high78.6Confident58 Ų5865.7 Ų65.727%0.27134%0.344SS..Hα-helixtrans-64.5-51.4173.2-61.716815800110T196 Y197 L198 L202 L203 D204T196-E200 WeakPolarHBondContact CA-OE2 3.35Å; T196-E200 HydrophobicContact CG2-CB 3.91Å; Y197-E200 PolarHBondContact N-OE2 3.16Å; Y197-E200 PolarHBondContact O-N 2.96Å; L198-E200 VanDerWaalsContact C-N 3.34Å; L198-E200 PolarHBondContact O-N 3Å; E200-L202 VanDerWaalsContact C-N 3.28Å; E200-L202 PolarHBondContact O-N 3.1Å; E200-L203 CarbonylContact O-C 3.56Å; E200-L203 WeakPolarHBondContact O-CA 3.27Å; E200-L203 VanDerWaalsContact O-CB 3.31Å; E200-L203 WeakPolarHBondContact O-CB 3.48Å; E200-L203 PolarHBondContact O-N 3.25Å; E200-D204 PolarHBondContact O-N 3.18Å
201F93.8Very high79.2Confident14 Ų1460.3 Ų60.36%0.06132%0.321CS..Hα-helixtrans-59.6-35.7177.7167.2-92.5000113.4T196 Y197 L198 L205 L237 W238 H241T196-F201 HydrophobicContact CG2-CB 4.41Å; Y197-F201 PolarHBondContact O-N 3.01Å; Y197-F201 VanDerWaalsContact O-N 3.16Å; L198-F201 HydrophobicContact CD1-CD1 4.17Å; L198-F201 PolarHBondContact O-N 2.88Å; F201-L205 HydrophobicContact CE1-CD2 4.22Å; F201-L205 HydrophobicContact CZ-CD2 4.3Å; F201-L205 WeakPolarHBondContact O-CB 3.1Å; F201-L205 PolarHBondContact O-N 2.9Å; F201-L237 HydrophobicContact CE2-CG 4.39Å; F201-L237 HydrophobicContact CZ-CB 4.07Å; F201-L237 HydrophobicContact CZ-CD2 4.15Å; F201-L237 HydrophobicContact CZ-CG 3.89Å; F201-W238 HydrophobicContact CB-CE3 3.69Å; F201-W238 HydrophobicContact CB-CH2 4.37Å; F201-W238 HydrophobicContact CB-CZ3 3.42Å; F201-W238 VanDerWaalsContact CB-CZ3 3.42Å; F201-W238 HydrophobicContact CD1-CB 4.18Å; F201-W238 HydrophobicContact CD1-CD2 4.14Å; F201-W238 AromaticContact CD1-CE3 3.52Å; F201-W238 HydrophobicContact CD1-CE3 3.52Å; F201-W238 HydrophobicContact CD1-CG 4.45Å; F201-W238 HydrophobicContact CD1-CZ3 4.18Å; F201-W238 AromaticContact CD2-CE3 3.87Å; F201-W238 HydrophobicContact CD2-CE3 3.87Å; F201-W238 HydrophobicContact CD2-CZ3 4.25Å; F201-W238 HydrophobicContact CE1-CB 3.69Å; F201-W238 HydrophobicContact CE1-CE3 4.12Å; F201-W238 HydrophobicContact CE1-CG 4.43Å; F201-W238 HydrophobicContact CE2-CE3 4.41Å; F201-W238 HydrophobicContact CG-CD2 4.42Å; F201-W238 AromaticContact CG-CE3 3.39Å; F201-W238 HydrophobicContact CG-CE3 3.39Å; F201-W238 AromaticContact CG-CZ3 3.69Å; F201-W238 HydrophobicContact CG-CZ3 3.69Å; F201-W238 HydrophobicContact CZ-CB 4.12Å; F201-H241 HydrophobicContact CD2-CB 4.18Å; F201-H241 AromaticContact CD2-CG 3.99Å; F201-H241 HydrophobicContact CE2-CB 4.01Å
202L94Very high79.9Confident0 Ų058.2 Ų58.20%029%0.294CS..Hα-helixtrans-69.7-34.4174.9-70.1168.5000111.9L198 E200 L206 I216 V234 L256L198-L202 HydrophobicContact CD1-CD1 3.95Å; L198-L202 HydrophobicContact CD1-CD2 4.38Å; L198-L202 HydrophobicContact CD1-CG 3.91Å; L198-L202 HydrophobicContact CD2-CD1 4.36Å; L198-L202 HydrophobicContact CG-CD1 3.78Å; L198-L202 HydrophobicContact CG-CG 4.21Å; L198-L202 WeakPolarHBondContact O-CB 3.17Å; L198-L202 VanDerWaalsContact O-CG 3.22Å; L198-L202 WeakPolarHBondContact O-CG 3.17Å; L198-L202 PolarHBondContact O-N 2.83Å; E200-L202 VanDerWaalsContact C-N 3.28Å; E200-L202 PolarHBondContact O-N 3.1Å; L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.46Å; L202-L206 WeakPolarHBondContact O-CD1 3.37Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.31Å; L202-L206 PolarHBondContact O-N 2.8Å; L202-I216 HydrophobicContact CB-CD1 4.41Å; L202-I216 HydrophobicContact CD2-CD1 3.68Å; L202-V234 HydrophobicContact CD2-CG1 3.64Å; L202-L256 HydrophobicContact CD1-CD2 3.77Å
203L91.9Very high81Confident4 Ų455.6 Ų55.62%0.02129%0.292CS..Hα-helixtrans-69.5-42.7174.2-172.975.9000111.9W199 E200 L206 Q207 W218 F277 P281 I284W199-L203 WeakPolarHBondContact O-CB 3.46Å; W199-L203 PolarHBondContact O-N 3.11Å; W199-L203 VanDerWaalsContact O-N 3.09Å; E200-L203 CarbonylContact O-C 3.56Å; E200-L203 WeakPolarHBondContact O-CA 3.27Å; E200-L203 VanDerWaalsContact O-CB 3.31Å; E200-L203 WeakPolarHBondContact O-CB 3.48Å; E200-L203 PolarHBondContact O-N 3.25Å; L203-L206 CarbonylContact O-C 3.39Å; L203-L206 WeakPolarHBondContact O-CB 3.41Å; L203-L206 PolarHBondContact O-N 3.22Å; L203-Q207 WeakPolarHBondContact O-CG 3.26Å; L203-Q207 PolarHBondContact O-N 3.26Å; L203-Q207 PolarHBondContact O-NE2 3.04Å; L203-W218 HydrophobicContact CD1-CH2 4.23Å; L203-W218 HydrophobicContact CD1-CZ2 4.29Å; L203-F277 HydrophobicContact CB-CZ 4.3Å; L203-F277 HydrophobicContact CD1-CE2 4.21Å; L203-F277 HydrophobicContact CD1-CZ 4.21Å; L203-P281 HydrophobicContact CD1-CB 4.3Å; L203-P281 HydrophobicContact CD1-CG 4.02Å; L203-P281 HydrophobicContact CD2-CB 3.56Å; L203-P281 HydrophobicContact CD2-CG 3.81Å; L203-I284 HydrophobicContact CD1-CD1 3.77Å; L203-I284 HydrophobicContact CD1-CG1 3.74Å; L203-I284 HydrophobicContact CG-CG1 4.45Å
204D90.8Very high82.5Confident73 Ų7363.4 Ų63.439%0.3932%0.316SS..Hα-helixtrans-61.4-48.4174.7-65.9-23000110.2E200 L206 Q207 D208E200-D204 PolarHBondContact O-N 3.18Å; D204-L206 PolarHBondContact O-N 2.94Å; D204-Q207 WeakPolarHBondContact O-CB 3.25Å; D204-Q207 PolarHBondContact O-N 3.21Å; D204-D208 PolarHBondContact O-N 3.03Å
205L91.4Very high84Confident3 Ų360.8 Ų60.82%0.01630%0.297CS..Hα-helixtrans-61.9-27.3176.2-169.863.6000113F201 Q207 T211 C212 I216 V234 L237F201-L205 HydrophobicContact CE1-CD2 4.22Å; F201-L205 HydrophobicContact CZ-CD2 4.3Å; F201-L205 WeakPolarHBondContact O-CB 3.1Å; F201-L205 PolarHBondContact O-N 2.9Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; L205-T211 HydrophobicContact CD1-CG2 3.67Å; L205-C212 PolarHBondContact O-SG 2.97Å; L205-I216 HydrophobicContact CB-CG2 4.32Å; L205-I216 HydrophobicContact CD2-CB 4.5Å; L205-I216 HydrophobicContact CD2-CG2 3.93Å; L205-I216 HydrophobicContact CG-CG2 3.72Å; L205-V234 HydrophobicContact CD2-CG1 4.24Å; L205-V234 HydrophobicContact CD2-CG2 4.13Å; L205-L237 HydrophobicContact CD1-CD2 3.43Å; L205-L237 VanDerWaalsContact CD1-CD2 3.43Å; L205-L237 HydrophobicContact CD2-CD2 4.07Å; L205-L237 HydrophobicContact CG-CD2 4.41Å
206L89.9Confident85Confident7 Ų755.9 Ų55.94%0.03727%0.267CS..THydrogen-bonded Turntrans-80.3-4.9173.9-86.1165.8000114.6L202 L203 D204 I216 K217 W218 F226 F277L202-L206 VanDerWaalsContact O-CB 3.26Å; L202-L206 WeakPolarHBondContact O-CB 3.46Å; L202-L206 WeakPolarHBondContact O-CD1 3.37Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.31Å; L202-L206 PolarHBondContact O-N 2.8Å; L203-L206 CarbonylContact O-C 3.39Å; L203-L206 WeakPolarHBondContact O-CB 3.41Å; L203-L206 PolarHBondContact O-N 3.22Å; D204-L206 PolarHBondContact O-N 2.94Å; L206-I216 HydrophobicContact CD1-CD1 4.03Å; L206-I216 HydrophobicContact CD1-CG1 4.4Å; L206-I216 HydrophobicContact CD2-CB 4.47Å; L206-I216 HydrophobicContact CD2-CD1 4.41Å; L206-I216 HydrophobicContact CD2-CG1 3.95Å; L206-I216 HydrophobicContact CD2-CG2 3.96Å; L206-I216 HydrophobicContact CG-CD1 3.94Å; L206-I216 HydrophobicContact CG-CG1 4.03Å; L206-I216 HydrophobicContact CG-CG2 3.95Å; L206-K217 VanDerWaalsContact CD2-C 3.44Å; L206-W218 HydrophobicContact CB-CZ2 3.71Å; L206-W218 HydrophobicContact CD1-CD2 4.48Å; L206-W218 HydrophobicContact CD1-CH2 3.88Å; L206-W218 HydrophobicContact CD1-CZ2 3.83Å; L206-W218 HydrophobicContact CD1-CZ3 4.23Å; L206-W218 HydrophobicContact CD2-CD2 4.01Å; L206-W218 HydrophobicContact CD2-CG 4.08Å; L206-W218 HydrophobicContact CD2-CZ2 4.39Å; L206-W218 HydrophobicContact CG-CZ2 4.19Å; L206-W218 PolarHBondContact O-NE1 3.19Å; L206-F226 HydrophobicContact CD1-CB 3.69Å; L206-F226 HydrophobicContact CD1-CD1 4.08Å; L206-F226 HydrophobicContact CD1-CD2 3.91Å; L206-F226 HydrophobicContact CD1-CG 3.64Å; L206-F226 HydrophobicContact CD2-CB 4.08Å; L206-F277 HydrophobicContact CD1-CE2 4.17Å
207Q86.8Confident85.2Confident35 Ų3559.6 Ų59.616%0.16428%0.282CS..THydrogen-bonded Turntrans-104.1-19.7171.5-67.8164.697.400112L203 D204 L205 K209 N283 I287L203-Q207 WeakPolarHBondContact O-CG 3.26Å; L203-Q207 PolarHBondContact O-N 3.26Å; L203-Q207 PolarHBondContact O-NE2 3.04Å; D204-Q207 WeakPolarHBondContact O-CB 3.25Å; D204-Q207 PolarHBondContact O-N 3.21Å; L205-Q207 VanDerWaalsContact C-N 3.31Å; Q207-K209 PolarHBondContact O-N 2.87Å; Q207-N283 PolarHBondContact OE1-O 3.22Å; Q207-I287 WeakPolarHBondContact O-CD1 3.3Å
208D82.6Confident85.1Confident86 Ų8655.3 Ų55.346%0.4627%0.265SS..  trans-67.690.2175.8-83.7-23.7000112.3D204 N210 T211 C212D204-D208 PolarHBondContact O-N 3.03Å; D208-N210 PolarHBondContact O-N 3.34Å; D208-N210 VanDerWaalsContact O-N 3.1Å; D208-T211 PolarHBondContact O-N 3.23Å; D208-C212 PolarHBondContact O-N 3.38Å
209K66.4Low85Confident122 Ų12258 Ų5853%0.5328%0.281SS..THydrogen-bonded Turntrans-42.6-46.2175.3-63-153.6-174.3-149.70113.2Q207 T211 I287Q207-K209 PolarHBondContact O-N 2.87Å; K209-T211 PolarHBondContact O-N 2.9Å; K209-T211 VanDerWaalsContact O-N 3.13Å; K209-I287 HydrophobicContact CD-CG2 3.87Å; K209-I287 HydrophobicContact CG-CD1 3.84Å; K209-I287 HydrophobicContact CG-CG1 4.43Å; K209-I287 HydrophobicContact CG-CG2 3.93Å
210N62.7Low84.9Confident165 Ų16558.7 Ų58.788%0.88229%0.287SS*.THydrogen-bonded Turntrans-74.1-4.8-171.8-58.126000112.9D208D208-N210 PolarHBondContact O-N 3.34Å; D208-N210 VanDerWaalsContact O-N 3.1Å
211T62.3Low84.7Confident33 Ų3359.9 Ų59.920%0.20229%0.289CS..THydrogen-bonded Turntrans-123.1-34.2-172.3-51.30000112.1L205 D208 K209 R214 Y215L205-T211 HydrophobicContact CD1-CG2 3.67Å; D208-T211 PolarHBondContact O-N 3.23Å; K209-T211 PolarHBondContact O-N 2.9Å; K209-T211 VanDerWaalsContact O-N 3.13Å; T211-R214 PolarHBondContact O-N 2.92Å; T211-Y215 HydrophobicContact CG2-CD2 3.39Å; T211-Y215 HydrophobicContact CG2-CE2 3.83Å; T211-Y215 HydrophobicContact CG2-CG 4.42Å
212C60.4Low84.5Confident32 Ų3265.6 Ų65.622%0.21632%0.316CS..THydrogen-bonded Turntrans-78.8109.1165.6-73.10000109.2L205 D208 I216L205-C212 PolarHBondContact O-SG 2.97Å; D208-C212 PolarHBondContact O-N 3.38Å; C212-I216 WeakPolarHBondContact CA-O 3.48Å; C212-I216 PolarHBondContact SG-O 2.86Å
213P75Confident84.3Confident88 Ų8870.9 Ų70.957%0.57134%0.339SS*.THydrogen-bonded Turncis-121.67.747.440.2-34.2000115.4K217 V229P213-K217 HydrophobicContact CB-CB 4.28Å; P213-K217 HydrophobicContact CB-CD 4.2Å; P213-V229 WeakPolarHBondContact O-CG2 3.43Å
214R86Confident84.4Confident181 Ų18170.7 Ų70.768%0.68334%0.338SS*.THydrogen-bonded Turntrans-71.9-35.7-166.1-169.6177.5-179.8164.82113.8T211T211-R214 PolarHBondContact O-N 2.92Å
215Y91.1Very high84.5Confident69 Ų6968 Ų6827%0.27132%0.323SS..SBendtrans-111.6-38.3-175.4-53.3-37.7000112.7T211 V229 D230 A233 V234T211-Y215 HydrophobicContact CG2-CD2 3.39Å; T211-Y215 HydrophobicContact CG2-CE2 3.83Å; T211-Y215 HydrophobicContact CG2-CG 4.42Å; Y215-V229 PolarHBondContact O-N 3.27Å; Y215-D230 HydrophobicContact CD1-CB 4.3Å; Y215-D230 PolarHBondContact O-N 2.91Å; Y215-D230 VanDerWaalsContact O-N 3.13Å; Y215-A233 HydrophobicContact CD1-CB 3.33Å; Y215-A233 HydrophobicContact CE1-CB 3.61Å; Y215-A233 HydrophobicContact CG-CB 3.9Å; Y215-V234 VanDerWaalsContact O-CG2 3.28Å; Y215-V234 WeakPolarHBondContact O-CG2 3.5Å
216I94.4Very high84.7Confident0 Ų067.9 Ų67.90%032%0.323CS..EExtended strand (participates in β ladder)trans-145.1154.8177.2-158.6165.9000108.1L202 L205 L206 C212 F226 K227 L228 V234L202-I216 HydrophobicContact CB-CD1 4.41Å; L202-I216 HydrophobicContact CD2-CD1 3.68Å; L205-I216 HydrophobicContact CB-CG2 4.32Å; L205-I216 HydrophobicContact CD2-CB 4.5Å; L205-I216 HydrophobicContact CD2-CG2 3.93Å; L205-I216 HydrophobicContact CG-CG2 3.72Å; L206-I216 HydrophobicContact CD1-CD1 4.03Å; L206-I216 HydrophobicContact CD1-CG1 4.4Å; L206-I216 HydrophobicContact CD2-CB 4.47Å; L206-I216 HydrophobicContact CD2-CD1 4.41Å; L206-I216 HydrophobicContact CD2-CG1 3.95Å; L206-I216 HydrophobicContact CD2-CG2 3.96Å; L206-I216 HydrophobicContact CG-CD1 3.94Å; L206-I216 HydrophobicContact CG-CG1 4.03Å; L206-I216 HydrophobicContact CG-CG2 3.95Å; C212-I216 WeakPolarHBondContact CA-O 3.48Å; C212-I216 PolarHBondContact SG-O 2.86Å; I216-F226 HydrophobicContact CD1-CD2 3.81Å; I216-F226 HydrophobicContact CD1-CE2 4.05Å; I216-F226 HydrophobicContact CG1-CD2 4.1Å; I216-K227 CarbonylContact C-O 3.48Å; I216-K227 WeakPolarHBondContact CA-O 3.39Å; I216-K227 WeakPolarHBondContact CG1-O 3.46Å; I216-L228 HydrophobicContact CD1-CD1 3.61Å; I216-L228 HydrophobicContact CD1-CG 4.17Å; I216-L228 HydrophobicContact CG1-CD1 3.95Å; I216-L228 HydrophobicContact CG1-CG 4.29Å; I216-V234 HydrophobicContact CB-CG2 4.37Å
217K92.9Very high85Confident93 Ų9371.4 Ų71.440%0.40434%0.338SS..EExtended strand (participates in β ladder)trans-154.7155.4169.768.2175.5-170.7168.60112.2L206 P213 F226 K227 V229L206-K217 VanDerWaalsContact CD2-C 3.44Å; P213-K217 HydrophobicContact CB-CB 4.28Å; P213-K217 HydrophobicContact CB-CD 4.2Å; K217-F226 CarbonylContact O-C 3.55Å; K217-F226 VanDerWaalsContact O-CA 3.31Å; K217-F226 WeakPolarHBondContact O-CA 3.49Å; K217-F226 WeakPolarHBondContact O-CB 3.49Å; K217-K227 PolarHBondContact N-O 2.86Å; K217-K227 PolarHBondContact O-N 3.19Å; K217-V229 HydrophobicContact CD-CG2 4.32Å; K217-V229 HydrophobicContact CG-CG2 3.96Å
218W92.9Very high85.4Confident38 Ų3869.8 Ų69.814%0.14433%0.33CS..EExtended strand (participates in β ladder)trans-64.3142.9162.8-63104000110L203 L206 R221 F226 F277 M280 I284L203-W218 HydrophobicContact CD1-CH2 4.23Å; L203-W218 HydrophobicContact CD1-CZ2 4.29Å; L206-W218 HydrophobicContact CB-CZ2 3.71Å; L206-W218 HydrophobicContact CD1-CD2 4.48Å; L206-W218 HydrophobicContact CD1-CH2 3.88Å; L206-W218 HydrophobicContact CD1-CZ2 3.83Å; L206-W218 HydrophobicContact CD1-CZ3 4.23Å; L206-W218 HydrophobicContact CD2-CD2 4.01Å; L206-W218 HydrophobicContact CD2-CG 4.08Å; L206-W218 HydrophobicContact CD2-CZ2 4.39Å; L206-W218 HydrophobicContact CG-CZ2 4.19Å; L206-W218 PolarHBondContact O-NE1 3.19Å; W218-R221 HydrophobicContact CB-CB 4.23Å; W218-R221 HydrophobicContact CD2-CG 4.3Å; W218-R221 HydrophobicContact CG-CB 4.28Å; W218-R221 HydrophobicContact CG-CG 4.27Å; W218-F226 HydrophobicContact CE3-CB 3.97Å; W218-F226 HydrophobicContact CZ3-CB 4.19Å; W218-F226 HydrophobicContact CZ3-CD1 4.29Å; W218-F277 AromaticContact CH2-CD2 3.91Å; W218-F277 HydrophobicContact CH2-CD2 3.91Å; W218-F277 AromaticContact CH2-CE2 3.82Å; W218-F277 HydrophobicContact CH2-CE2 3.82Å; W218-F277 HydrophobicContact CZ3-CD2 4.03Å; W218-F277 HydrophobicContact CZ3-CE2 4.21Å; W218-M280 HydrophobicContact CE3-CE 4.48Å; W218-M280 HydrophobicContact CH2-CE 3.7Å; W218-M280 HydrophobicContact CH2-SD 4.22Å; W218-M280 HydrophobicContact CZ2-CE 4.35Å; W218-M280 HydrophobicContact CZ3-CE 3.79Å; W218-M280 HydrophobicContact CZ3-SD 4.47Å; W218-I284 HydrophobicContact CH2-CD1 4.02Å; W218-I284 HydrophobicContact CZ2-CD1 3.91Å
219T92.8Very high86Confident59 Ų5969 Ų6936%0.36233%0.328SS..EExtended strand (participates in β ladder)trans-115.1-28.9170.6340000112.2I225 K227T219-I225 PolarHBondContact N-O 3.3Å; T219-I225 PolarHBondContact OG1-O 2.83Å; T219-K227 HydrophobicContact CG2-CB 3.88Å
220Q91.8Very high87.4Confident73 Ų7366.1 Ų66.134%0.34132%0.319SS..EExtended strand (participates in β ladder)trans-148.994.7169.3-97.3161.790.700105.7E222 K223 G224 I225Q220-E222 WeakPolarHBondContact CB-OE1 3.38Å; Q220-E222 VanDerWaalsContact CG-OE1 3.27Å; Q220-E222 WeakPolarHBondContact CG-OE1 3.31Å; Q220-K223 HydrophobicContact CB-CB 4.32Å; Q220-K223 PolarHBondContact O-N 2.94Å; Q220-G224 PolarHBondContact O-N 2.9Å; Q220-I225 HydrophobicContact CB-CB 4.04Å; Q220-I225 HydrophobicContact CB-CD1 4.09Å; Q220-I225 HydrophobicContact CB-CG1 4.21Å; Q220-I225 PolarHBondContact N-O 3.43Å; Q220-I225 VanDerWaalsContact N-O 3.11Å; Q220-I225 PolarHBondContact O-N 2.93Å
221R88.8Confident89Confident83 Ų8359.3 Ų59.331%0.31328%0.284SS..THydrogen-bonded Turntrans-66.4-44.6-170.6-176.1-171.1-77.8172.4-5.8109.9W218 K223 G224 M280 I287W218-R221 HydrophobicContact CB-CB 4.23Å; W218-R221 HydrophobicContact CD2-CG 4.3Å; W218-R221 HydrophobicContact CG-CB 4.28Å; W218-R221 HydrophobicContact CG-CG 4.27Å; R221-K223 PolarHBondContact O-N 2.83Å; R221-G224 PolarHBondContact O-N 2.79Å; R221-M280 WeakPolarHBondContact O-CE 3.47Å; R221-I287 VanDerWaalsContact CZ-O 3.25Å; R221-I287 PolarHBondContact NH1-O 3.23Å; R221-I287 PolarHBondContact NH2-O 3.11Å
222E89.3Confident90.6Very high133 Ų13365.3 Ų65.362%0.62131%0.307SS*.THydrogen-bonded Turntrans-60.4-26.5178.271.9-50.7134.500114.2Q220Q220-E222 WeakPolarHBondContact CB-OE1 3.38Å; Q220-E222 VanDerWaalsContact CG-OE1 3.27Å; Q220-E222 WeakPolarHBondContact CG-OE1 3.31Å
223K91.1Very high92.2Very high111 Ų11164.6 Ų64.648%0.48330%0.304SS..THydrogen-bonded Turntrans-100.45.4174.1-62.6175.5-155.2166.90113.9Q220 R221 I225 Q276Q220-K223 HydrophobicContact CB-CB 4.32Å; Q220-K223 PolarHBondContact O-N 2.94Å; R221-K223 PolarHBondContact O-N 2.83Å; K223-I225 VanDerWaalsContact C-N 3.26Å; K223-I225 HydrophobicContact CB-CD1 4.01Å; K223-I225 HydrophobicContact CB-CG1 3.9Å; K223-I225 HydrophobicContact CD-CD1 4.44Å; K223-I225 PolarHBondContact O-N 2.96Å; K223-Q276 WeakPolarHBondContact O-CG 3.37Å; K223-Q276 PolarHBondContact O-NE2 2.94Å
224G92.4Very high93.2Very high0 Ų060.4 Ų60.40%028%0.276CS..THydrogen-bonded Turntrans66.521.6-177.800000114.9Q220 R221 Q276 F277Q220-G224 PolarHBondContact O-N 2.9Å; R221-G224 PolarHBondContact O-N 2.79Å; G224-Q276 WeakPolarHBondContact O-CA 3.36Å; G224-F277 PolarHBondContact O-N 3.16Å
225I94.5Very high93.7Very high18 Ų1851.8 Ų51.89%0.09224%0.244CC..EExtended strand (participates in β ladder)trans-91.9128.1-178.5-46177.8000110.1T219 Q220 K223 V268 V274 Y275 Q276T219-I225 PolarHBondContact N-O 3.3Å; T219-I225 PolarHBondContact OG1-O 2.83Å; Q220-I225 HydrophobicContact CB-CB 4.04Å; Q220-I225 HydrophobicContact CB-CD1 4.09Å; Q220-I225 HydrophobicContact CB-CG1 4.21Å; Q220-I225 PolarHBondContact N-O 3.43Å; Q220-I225 VanDerWaalsContact N-O 3.11Å; Q220-I225 PolarHBondContact O-N 2.93Å; K223-I225 VanDerWaalsContact C-N 3.26Å; K223-I225 HydrophobicContact CB-CD1 4.01Å; K223-I225 HydrophobicContact CB-CG1 3.9Å; K223-I225 HydrophobicContact CD-CD1 4.44Å; K223-I225 PolarHBondContact O-N 2.96Å; I225-V268 HydrophobicContact CG2-CG2 3.96Å; I225-V274 HydrophobicContact CG2-CG1 3.58Å; I225-Y275 WeakPolarHBondContact CA-O 3.38Å; I225-Y275 WeakPolarHBondContact CG2-O 3.46Å; I225-Q276 HydrophobicContact CG1-CB 4.08Å; I225-Q276 HydrophobicContact CG1-CG 3.83Å
226F95.3Very high93.9Very high0 Ų055.8 Ų55.80%026%0.263CS..EExtended strand (participates in β ladder)trans-134.2156.9179.965.4-86.5000112.2L206 I216 K217 W218 L228 L265 V274 Y275 F277L206-F226 HydrophobicContact CD1-CB 3.69Å; L206-F226 HydrophobicContact CD1-CD1 4.08Å; L206-F226 HydrophobicContact CD1-CD2 3.91Å; L206-F226 HydrophobicContact CD1-CG 3.64Å; L206-F226 HydrophobicContact CD2-CB 4.08Å; I216-F226 HydrophobicContact CD1-CD2 3.81Å; I216-F226 HydrophobicContact CD1-CE2 4.05Å; I216-F226 HydrophobicContact CG1-CD2 4.1Å; K217-F226 CarbonylContact O-C 3.55Å; K217-F226 VanDerWaalsContact O-CA 3.31Å; K217-F226 WeakPolarHBondContact O-CA 3.49Å; K217-F226 WeakPolarHBondContact O-CB 3.49Å; W218-F226 HydrophobicContact CE3-CB 3.97Å; W218-F226 HydrophobicContact CZ3-CB 4.19Å; W218-F226 HydrophobicContact CZ3-CD1 4.29Å; F226-L228 HydrophobicContact CD2-CD1 3.91Å; F226-L228 HydrophobicContact CE2-CD1 3.67Å; F226-L265 HydrophobicContact CE1-CD2 3.72Å; F226-L265 HydrophobicContact CZ-CD2 3.9Å; F226-V274 WeakPolarHBondContact O-CA 3.4Å; F226-V274 WeakPolarHBondContact O-CG1 3.4Å; F226-Y275 WeakPolarHBondContact CD1-O 3.37Å; F226-Y275 AromaticContact CE2-CD2 3.86Å; F226-Y275 HydrophobicContact CE2-CD2 3.86Å; F226-Y275 HydrophobicContact CE2-CG 4.43Å; F226-Y275 HydrophobicContact CZ-CD2 4.22Å; F226-Y275 HydrophobicContact CZ-CG 4.37Å; F226-Y275 PolarHBondContact N-O 3.16Å; F226-Y275 PolarHBondContact O-N 3.38Å; F226-F277 AromaticContact CD1-CD2 3.69Å; F226-F277 HydrophobicContact CD1-CD2 3.69Å; F226-F277 AromaticContact CD1-CE2 3.52Å; F226-F277 HydrophobicContact CD1-CE2 3.52Å; F226-F277 HydrophobicContact CD1-CZ 4.47Å; F226-F277 AromaticContact CE1-CD2 3.49Å; F226-F277 HydrophobicContact CE1-CD2 3.49Å; F226-F277 VanDerWaalsContact CE1-CD2 3.49Å; F226-F277 AromaticContact CE1-CE2 3.23Å; F226-F277 HydrophobicContact CE1-CE2 3.23Å; F226-F277 HydrophobicContact CE1-CG 4.24Å; F226-F277 AromaticContact CE1-CZ 3.81Å; F226-F277 HydrophobicContact CE1-CZ 3.81Å; F226-F277 HydrophobicContact CZ-CE2 4.04Å; F226-F277 HydrophobicContact CZ-CZ 4.22Å
227K95.2Very high93.9Very high81 Ų8158.2 Ų58.235%0.35228%0.276SS..EExtended strand (participates in β ladder)trans-121.6129.7177.3-176.1166-174.2175.40110.7I216 K217 T219 V229 L273 V274I216-K227 CarbonylContact C-O 3.48Å; I216-K227 WeakPolarHBondContact CA-O 3.39Å; I216-K227 WeakPolarHBondContact CG1-O 3.46Å; K217-K227 PolarHBondContact N-O 2.86Å; K217-K227 PolarHBondContact O-N 3.19Å; T219-K227 HydrophobicContact CG2-CB 3.88Å; K227-V229 PolarHBondContact O-N 3.09Å; K227-L273 WeakPolarHBondContact CA-O 3.28Å; K227-V274 HydrophobicContact CB-CG2 3.96Å; K227-V274 HydrophobicContact CD-CG2 3.8Å; K227-V274 HydrophobicContact CG-CG2 3.77Å
228L96.1Very high94Very high0 Ų054.7 Ų54.70%026%0.26CS..EExtended strand (participates in β ladder)trans-74.4117.5161.6-83.364.9000107.5I216 F226 V234 M252 L273 Y275I216-L228 HydrophobicContact CD1-CD1 3.61Å; I216-L228 HydrophobicContact CD1-CG 4.17Å; I216-L228 HydrophobicContact CG1-CD1 3.95Å; I216-L228 HydrophobicContact CG1-CG 4.29Å; F226-L228 HydrophobicContact CD2-CD1 3.91Å; F226-L228 HydrophobicContact CE2-CD1 3.67Å; L228-V234 HydrophobicContact CD2-CB 4.27Å; L228-V234 HydrophobicContact CD2-CG1 4.08Å; L228-V234 HydrophobicContact CD2-CG2 4.5Å; L228-V234 HydrophobicContact CG-CG1 4.42Å; L228-V234 HydrophobicContact CG-CG2 4.23Å; L228-M252 HydrophobicContact CD2-CE 3.8Å; L228-L273 HydrophobicContact CB-CB 4.17Å; L228-L273 PolarHBondContact N-O 3.01Å; L228-L273 WeakPolarHBondContact O-CB 3.04Å; L228-Y275 HydrophobicContact CD1-CD2 3.96Å; L228-Y275 HydrophobicContact CD1-CE2 3.94Å
229V95Very high94.1Very high70 Ų7053 Ų5342%0.42425%0.254SS..SBendtrans-85.1-45.8-179.2178.50000110P213 Y215 K217 K227P213-V229 WeakPolarHBondContact O-CG2 3.43Å; Y215-V229 PolarHBondContact O-N 3.27Å; K217-V229 HydrophobicContact CD-CG2 4.32Å; K217-V229 HydrophobicContact CG-CG2 3.96Å; K227-V229 PolarHBondContact O-N 3.09Å
230D95.4Very high94.2Very high61 Ų6156.6 Ų56.633%0.32627%0.265SS..  trans-122.496.7168.2-178.3-8.5000109.8Y215 K232 A233 V234Y215-D230 HydrophobicContact CD1-CB 4.3Å; Y215-D230 PolarHBondContact O-N 2.91Å; Y215-D230 VanDerWaalsContact O-N 3.13Å; D230-K232 PolarHBondContact O-N 2.76Å; D230-K232 WeakPolarHBondContact OD1-CA 3.48Å; D230-K232 VanDerWaalsContact OD1-CB 3.3Å; D230-K232 WeakPolarHBondContact OD1-CB 3.38Å; D230-K232 PolarHBondContact OD1-N 2.93Å; D230-A233 HydrophobicContact CB-CB 3.9Å; D230-A233 VanDerWaalsContact CG-CB 3.45Å; D230-A233 PolarHBondContact O-N 2.97Å; D230-A233 PolarHBondContact OD1-N 3.19Å; D230-A233 VanDerWaalsContact OD2-CB 3.25Å; D230-A233 WeakPolarHBondContact OD2-CB 3.22Å; D230-V234 WeakPolarHBondContact O-CG2 3.47Å; D230-V234 PolarHBondContact O-N 3.13Å
231S95.8Very high94.2Very high23 Ų2356.5 Ų56.516%0.16126%0.264CS..Hα-helixtrans-63.6-25.6177.459.80000113.6S235S231-S235 WeakPolarHBondContact O-CB 3.43Å; S231-S235 PolarHBondContact O-N 2.8Å; S231-S235 PolarHBondContact O-OG 3.4Å
232K96Very high94.4Very high158 Ų15855.7 Ų55.769%0.68726%0.263SS*.Hα-helixtrans-74.8-44.6176.2-59.8176.4-179.51750110D230 S235 K236D230-K232 PolarHBondContact O-N 2.76Å; D230-K232 WeakPolarHBondContact OD1-CA 3.48Å; D230-K232 VanDerWaalsContact OD1-CB 3.3Å; D230-K232 WeakPolarHBondContact OD1-CB 3.38Å; D230-K232 PolarHBondContact OD1-N 2.93Å; K232-S235 PolarHBondContact O-N 3.06Å; K232-K236 WeakPolarHBondContact O-CG 3.19Å; K232-K236 PolarHBondContact O-N 3.24Å
233A94.9Very high94.5Very high17 Ų1756.1 Ų56.114%0.1427%0.269CS..Hα-helixtrans-65-45.117600000112.7Y215 D230 S235 K236 L237Y215-A233 HydrophobicContact CD1-CB 3.33Å; Y215-A233 HydrophobicContact CE1-CB 3.61Å; Y215-A233 HydrophobicContact CG-CB 3.9Å; D230-A233 HydrophobicContact CB-CB 3.9Å; D230-A233 VanDerWaalsContact CG-CB 3.45Å; D230-A233 PolarHBondContact O-N 2.97Å; D230-A233 PolarHBondContact OD1-N 3.19Å; D230-A233 VanDerWaalsContact OD2-CB 3.25Å; D230-A233 WeakPolarHBondContact OD2-CB 3.22Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 2.72Å; A233-K236 PolarHBondContact O-N 2.92Å; A233-L237 WeakPolarHBondContact O-CB 3.44Å; A233-L237 PolarHBondContact O-N 2.83Å
234V95.8Very high94.7Very high0 Ų056.9 Ų56.90%027%0.273CS..Hα-helixtrans-58.3-42.9175.4175.30000111L202 L205 Y215 I216 L228 D230 L237 W238 M252L202-V234 HydrophobicContact CD2-CG1 3.64Å; L205-V234 HydrophobicContact CD2-CG1 4.24Å; L205-V234 HydrophobicContact CD2-CG2 4.13Å; Y215-V234 VanDerWaalsContact O-CG2 3.28Å; Y215-V234 WeakPolarHBondContact O-CG2 3.5Å; I216-V234 HydrophobicContact CB-CG2 4.37Å; L228-V234 HydrophobicContact CD2-CB 4.27Å; L228-V234 HydrophobicContact CD2-CG1 4.08Å; L228-V234 HydrophobicContact CD2-CG2 4.5Å; L228-V234 HydrophobicContact CG-CG1 4.42Å; L228-V234 HydrophobicContact CG-CG2 4.23Å; D230-V234 WeakPolarHBondContact O-CG2 3.47Å; D230-V234 PolarHBondContact O-N 3.13Å; V234-L237 PolarHBondContact O-N 3.37Å; V234-W238 WeakPolarHBondContact O-CB 3.46Å; V234-W238 PolarHBondContact O-N 3.3Å; V234-M252 HydrophobicContact CG1-CE 3.98Å; V234-M252 HydrophobicContact CG1-SD 4.11Å
235S96.5Very high94.6Very high1 Ų162.2 Ų62.21%0.00731%0.307CS..Hα-helixtrans-65-42.9177.6-56.40000112.8S231 K232 A233 L237 W238 G239 M247 Y249 M252S231-S235 WeakPolarHBondContact O-CB 3.43Å; S231-S235 PolarHBondContact O-N 2.8Å; S231-S235 PolarHBondContact O-OG 3.4Å; K232-S235 PolarHBondContact O-N 3.06Å; A233-S235 VanDerWaalsContact C-N 3.29Å; A233-S235 PolarHBondContact O-N 2.72Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 2.86Å; S235-W238 PolarHBondContact O-N 2.87Å; S235-G239 PolarHBondContact O-N 3.21Å; S235-M247 VanDerWaalsContact O-CG 3.22Å; S235-M247 WeakPolarHBondContact O-CG 3.43Å; S235-Y249 WeakPolarHBondContact OG-CA 3.45Å; S235-Y249 WeakPolarHBondContact OG-CB 3.11Å; S235-Y249 PolarHBondContact OG-N 3Å; S235-Y249 VanDerWaalsContact OG-N 3.17Å; S235-M252 WeakPolarHBondContact OG-CE 3.29Å
236K95.2Very high94.6Very high152 Ų15267.7 Ų67.766%0.66134%0.337SS*.Hα-helixtrans-62.1-39.7173.7-75.9178.5176.6-1760111.8K232 A233 G239 K240K232-K236 WeakPolarHBondContact O-CG 3.19Å; K232-K236 PolarHBondContact O-N 3.24Å; A233-K236 PolarHBondContact O-N 2.92Å; K236-G239 PolarHBondContact O-N 2.92Å; K236-K240 WeakPolarHBondContact O-CB 3.3Å; K236-K240 PolarHBondContact O-N 3.28Å
237L94.8Very high94.7Very high52 Ų5269.1 Ų69.127%0.27234%0.344SS..Hα-helixtrans-69.5-40.2179.6-165.965000111.5F201 L205 A233 V234 S235 K240 H241F201-L237 HydrophobicContact CE2-CG 4.39Å; F201-L237 HydrophobicContact CZ-CB 4.07Å; F201-L237 HydrophobicContact CZ-CD2 4.15Å; F201-L237 HydrophobicContact CZ-CG 3.89Å; L205-L237 HydrophobicContact CD1-CD2 3.43Å; L205-L237 VanDerWaalsContact CD1-CD2 3.43Å; L205-L237 HydrophobicContact CD2-CD2 4.07Å; L205-L237 HydrophobicContact CG-CD2 4.41Å; A233-L237 WeakPolarHBondContact O-CB 3.44Å; A233-L237 PolarHBondContact O-N 2.83Å; V234-L237 PolarHBondContact O-N 3.37Å; S235-L237 VanDerWaalsContact C-N 3.33Å; S235-L237 PolarHBondContact O-N 2.86Å; L237-K240 HydrophobicContact CD1-CD 4.39Å; L237-K240 CarbonylContact O-C 3.6Å; L237-K240 WeakPolarHBondContact O-CB 3.3Å; L237-K240 PolarHBondContact O-N 3.31Å; L237-H241 PolarHBondContact O-N 3.31Å
238W95.3Very high94.8Very high18 Ų1868.6 Ų68.67%0.06835%0.345CS..Hα-helixtrans-61.5-42.5170.6177.2-130.7000112.3T196 Y197 L198 F201 V234 S235 K240 H241 K242 M247 M252T196-W238 WeakPolarHBondContact O-CH2 3.43Å; Y197-W238 VanDerWaalsContact C-CH2 3.43Å; L198-W238 VanDerWaalsContact CA-CH2 3.49Å; L198-W238 HydrophobicContact CB-CH2 4.04Å; L198-W238 HydrophobicContact CB-CZ2 3.61Å; L198-W238 HydrophobicContact CD1-CD2 3.81Å; L198-W238 HydrophobicContact CD1-CE3 4.36Å; L198-W238 HydrophobicContact CD1-CG 3.91Å; L198-W238 HydrophobicContact CD1-CZ2 4.27Å; F201-W238 HydrophobicContact CB-CE3 3.69Å; F201-W238 HydrophobicContact CB-CH2 4.37Å; F201-W238 HydrophobicContact CB-CZ3 3.42Å; F201-W238 VanDerWaalsContact CB-CZ3 3.42Å; F201-W238 HydrophobicContact CD1-CB 4.18Å; F201-W238 HydrophobicContact CD1-CD2 4.14Å; F201-W238 AromaticContact CD1-CE3 3.52Å; F201-W238 HydrophobicContact CD1-CE3 3.52Å; F201-W238 HydrophobicContact CD1-CG 4.45Å; F201-W238 HydrophobicContact CD1-CZ3 4.18Å; F201-W238 AromaticContact CD2-CE3 3.87Å; F201-W238 HydrophobicContact CD2-CE3 3.87Å; F201-W238 HydrophobicContact CD2-CZ3 4.25Å; F201-W238 HydrophobicContact CE1-CB 3.69Å; F201-W238 HydrophobicContact CE1-CE3 4.12Å; F201-W238 HydrophobicContact CE1-CG 4.43Å; F201-W238 HydrophobicContact CE2-CE3 4.41Å; F201-W238 HydrophobicContact CG-CD2 4.42Å; F201-W238 AromaticContact CG-CE3 3.39Å; F201-W238 HydrophobicContact CG-CE3 3.39Å; F201-W238 AromaticContact CG-CZ3 3.69Å; F201-W238 HydrophobicContact CG-CZ3 3.69Å; F201-W238 HydrophobicContact CZ-CB 4.12Å; V234-W238 WeakPolarHBondContact O-CB 3.46Å; V234-W238 PolarHBondContact O-N 3.3Å; S235-W238 PolarHBondContact O-N 2.87Å; W238-K240 PolarHBondContact O-N 2.9Å; W238-H241 HydrophobicContact CE3-CB 4.34Å; W238-H241 AromaticContact CZ3-CD2 3.81Å; W238-H241 WeakPolarHBondContact O-CB 3.36Å; W238-H241 PolarHBondContact O-N 2.97Å; W238-K242 HydrophobicContact CD2-CG 4.3Å; W238-K242 HydrophobicContact CE3-CD 4.42Å; W238-K242 HydrophobicContact CE3-CG 4.05Å; W238-K242 HydrophobicContact CH2-CD 3.4Å; W238-K242 HydrophobicContact CH2-CG 3.9Å; W238-K242 HydrophobicContact CZ2-CD 3.44Å; W238-K242 VanDerWaalsContact CZ2-CD 3.44Å; W238-K242 HydrophobicContact CZ2-CG 4.09Å; W238-K242 HydrophobicContact CZ3-CD 3.89Å; W238-K242 HydrophobicContact CZ3-CG 3.84Å; W238-K242 PolarHBondContact O-N 3.47Å; W238-M247 HydrophobicContact CB-CG 4.47Å; W238-M247 HydrophobicContact CG-CG 4.35Å; W238-M252 HydrophobicContact CB-SD 4.21Å; W238-M252 HydrophobicContact CG-SD 4.34Å
239G95Very high94.9Very high2 Ų271.2 Ų71.22%0.02136%0.355CS..Hα-helixtrans-58.8-44.617100000112.9S235 K236 H241 K242 N243 K244 M247S235-G239 PolarHBondContact O-N 3.21Å; K236-G239 PolarHBondContact O-N 2.92Å; G239-H241 VanDerWaalsContact C-N 3.26Å; G239-H241 PolarHBondContact O-N 3.36Å; G239-K242 PolarHBondContact O-N 3.36Å; G239-N243 CarbonylContact O-C 3.58Å; G239-N243 WeakPolarHBondContact O-CA 3.42Å; G239-N243 PolarHBondContact O-N 2.14Å; G239-K244 CarbonylContact C-O 3.58Å; G239-K244 WeakPolarHBondContact CA-O 3.25Å; G239-K244 PolarHBondContact O-N 3.48Å; G239-M247 VanDerWaalsContact CA-CB 3.44Å
240K93.6Very high94.9Very high136 Ų13672.1 Ų72.159%0.59136%0.355SS*.Hα-helixtrans-65.8-24.7176.3-164.9-173.3-179.7-177.20113R189 K236 L237 W238R189-K240 PolarHBondContact NH2-O 3.42Å; K236-K240 WeakPolarHBondContact O-CB 3.3Å; K236-K240 PolarHBondContact O-N 3.28Å; L237-K240 HydrophobicContact CD1-CD 4.39Å; L237-K240 CarbonylContact O-C 3.6Å; L237-K240 WeakPolarHBondContact O-CB 3.3Å; L237-K240 PolarHBondContact O-N 3.31Å; W238-K240 PolarHBondContact O-N 2.9Å
241H91.9Very high95Very high70 Ų7072.8 Ų72.832%0.32436%0.361SS..Hα-helixtrans-76.9-50.1173-171.476.5000111.8T196 F201 L237 W238 G239 N243T196-H241 WeakPolarHBondContact CB-NE2 3.4Å; T196-H241 WeakPolarHBondContact CG2-NE2 3.39Å; T196-H241 PolarHBondContact OG1-NE2 2.81Å; F201-H241 HydrophobicContact CD2-CB 4.18Å; F201-H241 AromaticContact CD2-CG 3.99Å; F201-H241 HydrophobicContact CE2-CB 4.01Å; L237-H241 PolarHBondContact O-N 3.31Å; W238-H241 HydrophobicContact CE3-CB 4.34Å; W238-H241 AromaticContact CZ3-CD2 3.81Å; W238-H241 WeakPolarHBondContact O-CB 3.36Å; W238-H241 PolarHBondContact O-N 2.97Å; G239-H241 VanDerWaalsContact C-N 3.26Å; G239-H241 PolarHBondContact O-N 3.36Å; H241-N243 VanDerWaalsContact C-N 3.35Å; H241-N243 PolarHBondContact O-N 2.65Å
242K92.7Very high95Very high67 Ų6771.8 Ų71.829%0.29135%0.354SS..Hα-helixtrans-89.810.6-177.8-59.8-147.569.6145.20115.3N194 T196 W238 G239 K244N194-K242 PolarHBondContact O-NZ 3.48Å; T196-K242 PolarHBondContact O-NZ 3.45Å; W238-K242 HydrophobicContact CD2-CG 4.3Å; W238-K242 HydrophobicContact CE3-CD 4.42Å; W238-K242 HydrophobicContact CE3-CG 4.05Å; W238-K242 HydrophobicContact CH2-CD 3.4Å; W238-K242 HydrophobicContact CH2-CG 3.9Å; W238-K242 HydrophobicContact CZ2-CD 3.44Å; W238-K242 VanDerWaalsContact CZ2-CD 3.44Å; W238-K242 HydrophobicContact CZ2-CG 4.09Å; W238-K242 HydrophobicContact CZ3-CD 3.89Å; W238-K242 HydrophobicContact CZ3-CG 3.84Å; W238-K242 PolarHBondContact O-N 3.47Å; G239-K242 PolarHBondContact O-N 3.36Å; K242-K244 VanDerWaalsContact C-N 3.31Å; K242-K244 PolarHBondContact O-N 3.19Å
243N93.2Very high95Very high141 Ų14164.3 Ų64.375%0.75432%0.322SS*.THydrogen-bonded Turntrans5047.1-174.1-157.856.8000113.5G239 H241G239-N243 CarbonylContact O-C 3.58Å; G239-N243 WeakPolarHBondContact O-CA 3.42Å; G239-N243 PolarHBondContact O-N 2.14Å; H241-N243 VanDerWaalsContact C-N 3.35Å; H241-N243 PolarHBondContact O-N 2.65Å
244K94.1Very high95.1Very high127 Ų12770.1 Ų70.155%0.55234%0.34SS*.  trans-120.694.3174.9-70.2-59.9-173.4-178.70109.1G239 K242 D246 M247G239-K244 CarbonylContact C-O 3.58Å; G239-K244 WeakPolarHBondContact CA-O 3.25Å; G239-K244 PolarHBondContact O-N 3.48Å; K242-K244 VanDerWaalsContact C-N 3.31Å; K242-K244 PolarHBondContact O-N 3.19Å; K244-D246 VanDerWaalsContact C-N 3.29Å; K244-D246 PolarHBondContact O-N 3.41Å; K244-M247 HydrophobicContact CB-CB 4.45Å; K244-M247 HydrophobicContact CB-CE 4.16Å; K244-M247 VanDerWaalsContact O-CB 3.32Å; K244-M247 WeakPolarHBondContact O-CB 3.44Å; K244-M247 PolarHBondContact O-N 3.07Å
245P91.5Very high95.1Very high112 Ų11271.5 Ų71.573%0.72735%0.352SS*.THydrogen-bonded Turntrans-64.9-33.4-174.625.5-32.6000112.5M247P245-M247 PolarHBondContact O-N 3.44Å; P245-M247 VanDerWaalsContact O-N 3.11Å
246D94.4Very high95.2Very high133 Ų13371.5 Ų71.571%0.71135%0.352SS*.THydrogen-bonded Turntrans-77.27.8-177.2-35.4-76000113.7K244 N248K244-D246 VanDerWaalsContact C-N 3.29Å; K244-D246 PolarHBondContact O-N 3.41Å; D246-N248 PolarHBondContact O-N 3.42Å; D246-N248 PolarHBondContact O-ND2 2.76Å
247M96.9Very high95.2Very high30 Ų3069.6 Ų69.615%0.14834%0.34CS..  trans-67.4114.5-178.7-172.463.367.600111.2S235 W238 G239 K244 P245 T251 M252S235-M247 VanDerWaalsContact O-CG 3.22Å; S235-M247 WeakPolarHBondContact O-CG 3.43Å; W238-M247 HydrophobicContact CB-CG 4.47Å; W238-M247 HydrophobicContact CG-CG 4.35Å; G239-M247 VanDerWaalsContact CA-CB 3.44Å; K244-M247 HydrophobicContact CB-CB 4.45Å; K244-M247 HydrophobicContact CB-CE 4.16Å; K244-M247 VanDerWaalsContact O-CB 3.32Å; K244-M247 WeakPolarHBondContact O-CB 3.44Å; K244-M247 PolarHBondContact O-N 3.07Å; P245-M247 PolarHBondContact O-N 3.44Å; P245-M247 VanDerWaalsContact O-N 3.11Å; M247-T251 HydrophobicContact SD-CG2 4.15Å; M247-M252 HydrophobicContact SD-CB 4.24Å
248N97.3Very high95.3Very high71 Ų7174.2 Ų74.238%0.3836%0.355SS..  trans-124.5169.4-179.264.777.3000110.4D246 E250 T251 M252D246-N248 PolarHBondContact O-N 3.42Å; D246-N248 PolarHBondContact O-ND2 2.76Å; N248-E250 VanDerWaalsContact C-N 3.33Å; N248-E250 PolarHBondContact O-N 3.15Å; N248-E250 PolarHBondContact OD1-N 3.1Å; N248-T251 PolarHBondContact ND2-OG1 2.98Å; N248-T251 PolarHBondContact O-N 3.27Å; N248-T251 PolarHBondContact OD1-N 3.05Å; N248-T251 PolarHBondContact OD1-OG1 3.38Å; N248-M252 WeakPolarHBondContact O-CB 3.24Å; N248-M252 PolarHBondContact O-N 3.44Å
249Y97.3Very high95.4Very high55 Ų5574.1 Ų74.122%0.21636%0.355CS..Hα-helixtrans-66.2-30.3-175.9173.9-99.4000113.6S235 M252 G253 L256 L273 Y275S235-Y249 WeakPolarHBondContact OG-CA 3.45Å; S235-Y249 WeakPolarHBondContact OG-CB 3.11Å; S235-Y249 PolarHBondContact OG-N 3Å; S235-Y249 VanDerWaalsContact OG-N 3.17Å; Y249-M252 HydrophobicContact CD2-CE 3.95Å; Y249-G253 VanDerWaalsContact O-CA 3.31Å; Y249-G253 WeakPolarHBondContact O-CA 3.09Å; Y249-G253 PolarHBondContact O-N 3.16Å; Y249-L256 HydrophobicContact CE2-CD1 4.4Å; Y249-L273 HydrophobicContact CE1-CD2 4.22Å; Y249-L273 HydrophobicContact CE2-CD2 3.72Å; Y249-L273 WeakPolarHBondContact OH-CD2 3.22Å; Y249-Y275 PolarHBondContact OH-OH 3.28Å
250E96.3Very high95.4Very high88 Ų8876.9 Ų76.941%0.41137%0.365SS..Hα-helixtrans-72.1-33.1177.4-76-53.5117.200112.7N248 R254 R257N248-E250 VanDerWaalsContact C-N 3.33Å; N248-E250 PolarHBondContact O-N 3.15Å; N248-E250 PolarHBondContact OD1-N 3.1Å; E250-R254 WeakPolarHBondContact O-CG 3.42Å; E250-R254 PolarHBondContact O-NE 2.97Å; E250-R257 IonicContact OE2-NH2 3.16Å; E250-R257 PolarHBondContact OE2-NH2 3.37Å
251T96.2Very high95.4Very high75 Ų7578.2 Ų78.246%0.4637%0.374SS..Hα-helixtrans-72.6-50.2171.6-53.60000111.2M247 N248 G253 R254M247-T251 HydrophobicContact SD-CG2 4.15Å; N248-T251 PolarHBondContact ND2-OG1 2.98Å; N248-T251 PolarHBondContact O-N 3.27Å; N248-T251 PolarHBondContact OD1-N 3.05Å; N248-T251 PolarHBondContact OD1-OG1 3.38Å; T251-G253 VanDerWaalsContact C-N 3.28Å; T251-G253 PolarHBondContact O-N 2.97Å; T251-R254 WeakPolarHBondContact O-CB 3.22Å; T251-R254 PolarHBondContact O-N 3.2Å; T251-R254 VanDerWaalsContact O-N 3.15Å
252M96.5Very high95.5Very high2 Ų282.5 Ų82.51%0.0139%0.387CS..Hα-helixtrans-61.1-37.8177.6-172.1-177.47500111.8L198 L228 V234 S235 W238 M247 N248 Y249 R254 A255 L256L198-M252 HydrophobicContact CD1-CG 3.76Å; L198-M252 HydrophobicContact CD1-SD 3.74Å; L198-M252 HydrophobicContact CD2-CG 3.46Å; L198-M252 VanDerWaalsContact CD2-CG 3.46Å; L198-M252 HydrophobicContact CD2-SD 4.39Å; L198-M252 HydrophobicContact CG-CG 4.28Å; L228-M252 HydrophobicContact CD2-CE 3.8Å; V234-M252 HydrophobicContact CG1-CE 3.98Å; V234-M252 HydrophobicContact CG1-SD 4.11Å; S235-M252 WeakPolarHBondContact OG-CE 3.29Å; W238-M252 HydrophobicContact CB-SD 4.21Å; W238-M252 HydrophobicContact CG-SD 4.34Å; M247-M252 HydrophobicContact SD-CB 4.24Å; N248-M252 WeakPolarHBondContact O-CB 3.24Å; N248-M252 PolarHBondContact O-N 3.44Å; Y249-M252 HydrophobicContact CD2-CE 3.95Å; M252-R254 PolarHBondContact O-N 3.46Å; M252-A255 WeakPolarHBondContact O-CB 3.42Å; M252-A255 PolarHBondContact O-N 3.21Å; M252-L256 PolarHBondContact O-N 2.87Å
253G96.7Very high95.6Very high2 Ų280.7 Ų80.72%0.02139%0.388CS..Hα-helixtrans-63.7-20.3177.300000114.2Y249 T251 R257Y249-G253 VanDerWaalsContact O-CA 3.31Å; Y249-G253 WeakPolarHBondContact O-CA 3.09Å; Y249-G253 PolarHBondContact O-N 3.16Å; T251-G253 VanDerWaalsContact C-N 3.28Å; T251-G253 PolarHBondContact O-N 2.97Å; G253-R257 VanDerWaalsContact O-CG 3.24Å; G253-R257 WeakPolarHBondContact O-CG 2.69Å; G253-R257 PolarHBondContact O-N 3.37Å
254R96.8Very high95.7Very high138 Ų13875.8 Ų75.852%0.52136%0.361SS..Hα-helixtrans-66.6-43.1169.3-53.2-51.8168.9113.3-7.4111.1E250 T251 M252 L256 R257 Y258E250-R254 WeakPolarHBondContact O-CG 3.42Å; E250-R254 PolarHBondContact O-NE 2.97Å; T251-R254 WeakPolarHBondContact O-CB 3.22Å; T251-R254 PolarHBondContact O-N 3.2Å; T251-R254 VanDerWaalsContact O-N 3.15Å; M252-R254 PolarHBondContact O-N 3.46Å; R254-L256 PolarHBondContact O-N 2.65Å; R254-R257 PolarHBondContact O-N 2.9Å; R254-Y258 HydrophobicContact CB-CE2 4.31Å; R254-Y258 WeakPolarHBondContact O-CD2 3.48Å; R254-Y258 PolarHBondContact O-N 3.41Å
255A95.9Very high95.8Very high29 Ų2969.7 Ų69.724%0.2433%0.334CS..Hα-helixtrans-63.1-41.2175.600000111.9L198 M252 R257 Y258 Y259L198-A255 HydrophobicContact CB-CB 4.49Å; L198-A255 HydrophobicContact CD2-CB 3.69Å; M252-A255 WeakPolarHBondContact O-CB 3.42Å; M252-A255 PolarHBondContact O-N 3.21Å; A255-R257 PolarHBondContact O-N 2.73Å; A255-Y258 PolarHBondContact O-N 3.17Å; A255-Y259 HydrophobicContact CB-CE2 4.36Å; A255-Y259 WeakPolarHBondContact O-CD2 3.49Å; A255-Y259 VanDerWaalsContact O-CG 3.26Å; A255-Y259 PolarHBondContact O-N 2.94Å
256L96.8Very high96Very high1 Ų165.5 Ų65.51%0.00531%0.309CS..Hα-helixtrans-57.7-46.9171.8-64.6177.9000112L198 L202 Y249 M252 R254 Y258 Y259 Y260 L265 Y275L198-L256 HydrophobicContact CD2-CD2 3.96Å; L198-L256 HydrophobicContact CD2-CG 4.06Å; L202-L256 HydrophobicContact CD1-CD2 3.77Å; Y249-L256 HydrophobicContact CE2-CD1 4.4Å; M252-L256 PolarHBondContact O-N 2.87Å; R254-L256 PolarHBondContact O-N 2.65Å; L256-Y258 PolarHBondContact O-N 3.19Å; L256-Y259 HydrophobicContact CD2-CD2 4.44Å; L256-Y259 WeakPolarHBondContact O-CB 3.21Å; L256-Y259 PolarHBondContact O-N 2.86Å; L256-Y260 VanDerWaalsContact O-CD1 3.29Å; L256-Y260 WeakPolarHBondContact O-CD1 3.4Å; L256-Y260 VanDerWaalsContact O-CE1 3.24Å; L256-Y260 WeakPolarHBondContact O-CE1 3.47Å; L256-Y260 PolarHBondContact O-N 3.49Å; L256-L265 HydrophobicContact CD2-CD1 3.71Å; L256-Y275 HydrophobicContact CD1-CE2 3.92Å
257R96.4Very high96.1Very high113 Ų11363.8 Ų63.843%0.42630%0.295SS..Hα-helixtrans-61.1-40177.2-68.6169.9-155.3178.412.2112.4E250 G253 R254 A255 Y259 Y260E250-R257 IonicContact OE2-NH2 3.16Å; E250-R257 PolarHBondContact OE2-NH2 3.37Å; G253-R257 VanDerWaalsContact O-CG 3.24Å; G253-R257 WeakPolarHBondContact O-CG 2.69Å; G253-R257 PolarHBondContact O-N 3.37Å; R254-R257 PolarHBondContact O-N 2.9Å; A255-R257 PolarHBondContact O-N 2.73Å; R257-Y259 VanDerWaalsContact C-N 3.31Å; R257-Y259 PolarHBondContact O-N 3.37Å; R257-Y260 HydrophobicContact CB-CE2 4.31Å; R257-Y260 HydrophobicContact CG-CE2 3.98Å; R257-Y260 PolarHBondContact O-N 3Å
258Y96.9Very high96Very high149 Ų14963.7 Ų63.758%0.58430%0.296SS*.Hα-helixtrans-64.8-31.7172.9-69.2-56.8000113R254 A255 L256 Y260 Q261 R262R254-Y258 HydrophobicContact CB-CE2 4.31Å; R254-Y258 WeakPolarHBondContact O-CD2 3.48Å; R254-Y258 PolarHBondContact O-N 3.41Å; A255-Y258 PolarHBondContact O-N 3.17Å; L256-Y258 PolarHBondContact O-N 3.19Å; Y258-Y260 VanDerWaalsContact C-N 3.3Å; Y258-Y260 PolarHBondContact O-N 2.84Å; Y258-Q261 PolarHBondContact O-N 3.28Å; Y258-R262 WeakPolarHBondContact O-CB 3.38Å; Y258-R262 WeakPolarHBondContact O-CG 3.39Å; Y258-R262 PolarHBondContact O-N 2.78Å
259Y96.3Very high95.9Very high16 Ų1666.8 Ų66.86%0.06331%0.308CS..Hα-helixtrans-70.3-22176.8-63.1-35.8000113.8L198 W199 A255 L256 R257 G263 I264 L265L198-Y259 HydrophobicContact CB-CE2 3.89Å; L198-Y259 HydrophobicContact CD2-CE2 4.22Å; L198-Y259 HydrophobicContact CG-CE2 4.25Å; L198-Y259 PolarHBondContact N-OH 3.4Å; L198-Y259 VanDerWaalsContact N-OH 3.15Å; W199-Y259 HydrophobicContact CB-CD2 4.22Å; W199-Y259 HydrophobicContact CB-CE2 3.88Å; W199-Y259 AromaticContact CD1-CE1 3.87Å; W199-Y259 AromaticContact CD1-CZ 3.74Å; A255-Y259 HydrophobicContact CB-CE2 4.36Å; A255-Y259 WeakPolarHBondContact O-CD2 3.49Å; A255-Y259 VanDerWaalsContact O-CG 3.26Å; A255-Y259 PolarHBondContact O-N 2.94Å; L256-Y259 HydrophobicContact CD2-CD2 4.44Å; L256-Y259 WeakPolarHBondContact O-CB 3.21Å; L256-Y259 PolarHBondContact O-N 2.86Å; R257-Y259 VanDerWaalsContact C-N 3.31Å; R257-Y259 PolarHBondContact O-N 3.37Å; Y259-G263 PolarHBondContact O-N 3.04Å; Y259-I264 HydrophobicContact CD1-CD1 4.01Å; Y259-I264 HydrophobicContact CE1-CD1 4.43Å; Y259-I264 PolarHBondContact O-N 3.48Å; Y259-L265 HydrophobicContact CD2-CD1 3.86Å; Y259-L265 HydrophobicContact CG-CD1 4.35Å; Y259-L265 PolarHBondContact O-N 3.42Å; Y259-L265 VanDerWaalsContact O-N 3.1Å
260Y95.3Very high95.7Very high60 Ų6068.2 Ų68.224%0.23534%0.339CS..Hα-helixtrans-66.8-50.3170.5-46.4-26.6000111.1L256 R257 Y258 R262 G263 L265 K267 Y275L256-Y260 VanDerWaalsContact O-CD1 3.29Å; L256-Y260 WeakPolarHBondContact O-CD1 3.4Å; L256-Y260 VanDerWaalsContact O-CE1 3.24Å; L256-Y260 WeakPolarHBondContact O-CE1 3.47Å; L256-Y260 PolarHBondContact O-N 3.49Å; R257-Y260 HydrophobicContact CB-CE2 4.31Å; R257-Y260 HydrophobicContact CG-CE2 3.98Å; R257-Y260 PolarHBondContact O-N 3Å; Y258-Y260 VanDerWaalsContact C-N 3.3Å; Y258-Y260 PolarHBondContact O-N 2.84Å; Y260-R262 VanDerWaalsContact C-N 3.31Å; Y260-R262 PolarHBondContact O-N 3.24Å; Y260-G263 PolarHBondContact O-N 3.01Å; Y260-L265 WeakPolarHBondContact CA-O 3.49Å; Y260-L265 HydrophobicContact CD1-CB 4.11Å; Y260-L265 HydrophobicContact CE1-CB 4.38Å; Y260-K267 HydrophobicContact CD2-CB 4.38Å; Y260-K267 HydrophobicContact CE1-CB 4.19Å; Y260-K267 HydrophobicContact CE2-CB 4.03Å; Y260-Y275 HydrophobicContact CE1-CD1 4.06Å; Y260-Y275 HydrophobicContact CE1-CE1 4.43Å; Y260-Y275 WeakPolarHBondContact OH-CE1 3.31Å
261Q94.6Very high95.6Very high164 Ų16469.2 Ų69.277%0.76634%0.344SS*.Hα-helixtrans-64.1-36.8178.9-67.7177.1-28.900111.9Y258 G263Y258-Q261 PolarHBondContact O-N 3.28Å; Q261-G263 PolarHBondContact O-N 3.22Å
262R94.5Very high95.6Very high159 Ų15976.5 Ų76.560%0.636%0.363SS*.THydrogen-bonded Turntrans-75.8-3.8174.2-70.6-172.964.5-160.3-4.9114.4Y258 Y260 I264Y258-R262 WeakPolarHBondContact O-CB 3.38Å; Y258-R262 WeakPolarHBondContact O-CG 3.39Å; Y258-R262 PolarHBondContact O-N 2.78Å; Y260-R262 VanDerWaalsContact C-N 3.31Å; Y260-R262 PolarHBondContact O-N 3.24Å; R262-I264 HydrophobicContact CB-CD1 4.21Å; R262-I264 HydrophobicContact CB-CG1 4.29Å; R262-I264 PolarHBondContact O-N 3.05Å
263G94.9Very high95.6Very high30 Ų3078.4 Ų78.431%0.30937%0.373SS..THydrogen-bonded Turntrans64.821.6-179.300000115.1Y259 Y260 Q261 K278Y259-G263 PolarHBondContact O-N 3.04Å; Y260-G263 PolarHBondContact O-N 3.01Å; Q261-G263 PolarHBondContact O-N 3.22Å; G263-K278 VanDerWaalsContact O-CB 3.3Å; G263-K278 WeakPolarHBondContact O-CB 3.41Å; G263-K278 WeakPolarHBondContact O-CD 3.35Å
264I94.4Very high95.6Very high37 Ų3778.4 Ų78.419%0.1937%0.373CS..SBendtrans-86.4-40.9175.5-63.7170.5000109.8W199 Y259 R262 K278W199-I264 HydrophobicContact CB-CG2 4.2Å; W199-I264 HydrophobicContact CD2-CG2 4.26Å; W199-I264 HydrophobicContact CG-CG2 4.01Å; Y259-I264 HydrophobicContact CD1-CD1 4.01Å; Y259-I264 HydrophobicContact CE1-CD1 4.43Å; Y259-I264 PolarHBondContact O-N 3.48Å; R262-I264 HydrophobicContact CB-CD1 4.21Å; R262-I264 HydrophobicContact CB-CG1 4.29Å; R262-I264 PolarHBondContact O-N 3.05Å; I264-K278 PolarHBondContact O-N 3.29Å
265L96Very high95.6Very high0 Ų072.3 Ų72.30%035%0.35CS..EExtended strand (participates in β ladder)trans-117.4162.7173.2-68.8174000110.4F226 L256 Y259 Y260 Q276 F277F226-L265 HydrophobicContact CE1-CD2 3.72Å; F226-L265 HydrophobicContact CZ-CD2 3.9Å; L256-L265 HydrophobicContact CD2-CD1 3.71Å; Y259-L265 HydrophobicContact CD2-CD1 3.86Å; Y259-L265 HydrophobicContact CG-CD1 4.35Å; Y259-L265 PolarHBondContact O-N 3.42Å; Y259-L265 VanDerWaalsContact O-N 3.1Å; Y260-L265 WeakPolarHBondContact CA-O 3.49Å; Y260-L265 HydrophobicContact CD1-CB 4.11Å; Y260-L265 HydrophobicContact CE1-CB 4.38Å; L265-Q276 CarbonylContact C-O 3.6Å; L265-Q276 WeakPolarHBondContact CA-O 3.37Å; L265-Q276 WeakPolarHBondContact CD2-O 3.33Å; L265-F277 HydrophobicContact CD2-CD1 3.58Å; L265-F277 HydrophobicContact CD2-CD2 4.47Å; L265-F277 HydrophobicContact CD2-CE1 3.8Å; L265-F277 HydrophobicContact CD2-CG 3.94Å; L265-F277 HydrophobicContact CD2-CZ 4.34Å
266A96.3Very high95.6Very high23 Ų2374 Ų7419%0.1935%0.353CS..EExtended strand (participates in β ladder)trans-120.9147.515900000109.3Y275 Q276 K278A266-Y275 WeakPolarHBondContact O-CA 3.16Å; A266-Q276 HydrophobicContact CB-CB 4.38Å; A266-Q276 PolarHBondContact N-O 3.44Å; A266-Q276 PolarHBondContact O-N 3.4Å; A266-K278 HydrophobicContact CB-CG 4.3Å
267K95.3Very high95.5Very high98 Ų9874.3 Ų74.343%0.42635%0.354SS..EExtended strand (participates in β ladder)trans-77131.3164.4164.9171.7166-91.50107.5Y260 E269Y260-K267 HydrophobicContact CD2-CB 4.38Å; Y260-K267 HydrophobicContact CE1-CB 4.19Å; Y260-K267 HydrophobicContact CE2-CB 4.03Å; K267-E269 IonicContact NZ-OE1 3.34Å; K267-E269 PolarHBondContact NZ-OE1 3.49Å; K267-E269 IonicContact NZ-OE2 2.63Å; K267-E269 PolarHBondContact NZ-OE2 3.34Å
268V95.9Very high95.3Very high27 Ų2775.3 Ų75.316%0.16436%0.362CS..PPolyproline II helixtrans-79121.2167178.40000107.6I225 Q271 V274 Q276I225-V268 HydrophobicContact CG2-CG2 3.96Å; V268-Q271 HydrophobicContact CG1-CB 4.13Å; V268-Q271 HydrophobicContact CG1-CG 4.23Å; V268-V274 HydrophobicContact CB-CB 4.2Å; V268-V274 HydrophobicContact CB-CG1 3.95Å; V268-V274 HydrophobicContact CG1-CG1 4.33Å; V268-V274 HydrophobicContact CG2-CG1 3.81Å; V268-V274 PolarHBondContact N-O 3.44Å; V268-Q276 HydrophobicContact CG2-CB 4.33Å
269E94.1Very high94.8Very high137 Ų13774.2 Ų74.264%0.6437%0.366SS*.SBendtrans-63.9152.3175.7-65.9-56.3120.900111K267 Q271K267-E269 IonicContact NZ-OE1 3.34Å; K267-E269 PolarHBondContact NZ-OE1 3.49Å; K267-E269 IonicContact NZ-OE2 2.63Å; K267-E269 PolarHBondContact NZ-OE2 3.34Å; E269-Q271 PolarHBondContact O-N 3.06Å
270G93.8Very high94.1Very high84 Ų8476.2 Ų76.287%0.86638%0.376SS*.SBendtrans69.8-30.2-17600000116.3
271Q94.9Very high93.1Very high109 Ų10974.3 Ų74.351%0.50937%0.371SS..  trans-101.8118-172.4-61.7-164.142.200113.8V268 E269 V274V268-Q271 HydrophobicContact CG1-CB 4.13Å; V268-Q271 HydrophobicContact CG1-CG 4.23Å; E269-Q271 PolarHBondContact O-N 3.06Å; Q271-V274 HydrophobicContact CB-CB 3.78Å; Q271-V274 HydrophobicContact CB-CG1 4.48Å; Q271-V274 HydrophobicContact CB-CG2 3.71Å
272R95.6Very high91.7Very high228 Ų22876.1 Ų76.186%0.8638%0.377SS*.THydrogen-bonded Turntrans-71.3137.3174.5-64-173.9-178.9-163.11.3111.2V274R272-V274 PolarHBondContact O-N 3.02Å
273L96.1Very high90.1Very high43 Ų4372.9 Ų72.923%0.22537%0.371CS..THydrogen-bonded Turntrans6317.6179.3-54.9178.5000115.3K227 L228 Y249K227-L273 WeakPolarHBondContact CA-O 3.28Å; L228-L273 HydrophobicContact CB-CB 4.17Å; L228-L273 PolarHBondContact N-O 3.01Å; L228-L273 WeakPolarHBondContact O-CB 3.04Å; Y249-L273 HydrophobicContact CE1-CD2 4.22Å; Y249-L273 HydrophobicContact CE2-CD2 3.72Å; Y249-L273 WeakPolarHBondContact OH-CD2 3.22Å
274V96.5Very high88.8Confident2 Ų273 Ų731%0.01236%0.364CS..EExtended strand (participates in β ladder)trans-109.9132178.1-174.30000110.5I225 F226 K227 V268 Q271 R272I225-V274 HydrophobicContact CG2-CG1 3.58Å; F226-V274 WeakPolarHBondContact O-CA 3.4Å; F226-V274 WeakPolarHBondContact O-CG1 3.4Å; K227-V274 HydrophobicContact CB-CG2 3.96Å; K227-V274 HydrophobicContact CD-CG2 3.8Å; K227-V274 HydrophobicContact CG-CG2 3.77Å; V268-V274 HydrophobicContact CB-CB 4.2Å; V268-V274 HydrophobicContact CB-CG1 3.95Å; V268-V274 HydrophobicContact CG1-CG1 4.33Å; V268-V274 HydrophobicContact CG2-CG1 3.81Å; V268-V274 PolarHBondContact N-O 3.44Å; Q271-V274 HydrophobicContact CB-CB 3.78Å; Q271-V274 HydrophobicContact CB-CG1 4.48Å; Q271-V274 HydrophobicContact CB-CG2 3.71Å; R272-V274 PolarHBondContact O-N 3.02Å
275Y96.7Very high87.4Confident9 Ų975.7 Ų75.74%0.03538%0.383CS..EExtended strand (participates in β ladder)trans-138.1158.8-176.2-49.4-68000110.1I225 F226 L228 Y249 L256 Y260 A266I225-Y275 WeakPolarHBondContact CA-O 3.38Å; I225-Y275 WeakPolarHBondContact CG2-O 3.46Å; F226-Y275 WeakPolarHBondContact CD1-O 3.37Å; F226-Y275 AromaticContact CE2-CD2 3.86Å; F226-Y275 HydrophobicContact CE2-CD2 3.86Å; F226-Y275 HydrophobicContact CE2-CG 4.43Å; F226-Y275 HydrophobicContact CZ-CD2 4.22Å; F226-Y275 HydrophobicContact CZ-CG 4.37Å; F226-Y275 PolarHBondContact N-O 3.16Å; F226-Y275 PolarHBondContact O-N 3.38Å; L228-Y275 HydrophobicContact CD1-CD2 3.96Å; L228-Y275 HydrophobicContact CD1-CE2 3.94Å; Y249-Y275 PolarHBondContact OH-OH 3.28Å; L256-Y275 HydrophobicContact CD1-CE2 3.92Å; Y260-Y275 HydrophobicContact CE1-CD1 4.06Å; Y260-Y275 HydrophobicContact CE1-CE1 4.43Å; Y260-Y275 WeakPolarHBondContact OH-CE1 3.31Å; A266-Y275 WeakPolarHBondContact O-CA 3.16Å
276Q96Very high85.5Confident65 Ų6581 Ų8130%0.30442%0.415SS..EExtended strand (participates in β ladder)trans-126.4133.6178.6-178.9174.224.700109.9K223 G224 I225 L265 A266 V268K223-Q276 WeakPolarHBondContact O-CG 3.37Å; K223-Q276 PolarHBondContact O-NE2 2.94Å; G224-Q276 WeakPolarHBondContact O-CA 3.36Å; I225-Q276 HydrophobicContact CG1-CB 4.08Å; I225-Q276 HydrophobicContact CG1-CG 3.83Å; L265-Q276 CarbonylContact C-O 3.6Å; L265-Q276 WeakPolarHBondContact CA-O 3.37Å; L265-Q276 WeakPolarHBondContact CD2-O 3.33Å; A266-Q276 HydrophobicContact CB-CB 4.38Å; A266-Q276 PolarHBondContact N-O 3.44Å; A266-Q276 PolarHBondContact O-N 3.4Å; V268-Q276 HydrophobicContact CG2-CB 4.33Å
277F95.4Very high83.8Confident7 Ų781.1 Ų81.13%0.03141%0.412CS..EExtended strand (participates in β ladder)trans-71.7127164.7-71.6-79.4000109.6W199 L203 L206 W218 G224 F226 L265 M280W199-F277 HydrophobicContact CB-CE1 4.39Å; W199-F277 HydrophobicContact CE3-CE1 4.38Å; L203-F277 HydrophobicContact CB-CZ 4.3Å; L203-F277 HydrophobicContact CD1-CE2 4.21Å; L203-F277 HydrophobicContact CD1-CZ 4.21Å; L206-F277 HydrophobicContact CD1-CE2 4.17Å; W218-F277 AromaticContact CH2-CD2 3.91Å; W218-F277 HydrophobicContact CH2-CD2 3.91Å; W218-F277 AromaticContact CH2-CE2 3.82Å; W218-F277 HydrophobicContact CH2-CE2 3.82Å; W218-F277 HydrophobicContact CZ3-CD2 4.03Å; W218-F277 HydrophobicContact CZ3-CE2 4.21Å; G224-F277 PolarHBondContact O-N 3.16Å; F226-F277 AromaticContact CD1-CD2 3.69Å; F226-F277 HydrophobicContact CD1-CD2 3.69Å; F226-F277 AromaticContact CD1-CE2 3.52Å; F226-F277 HydrophobicContact CD1-CE2 3.52Å; F226-F277 HydrophobicContact CD1-CZ 4.47Å; F226-F277 AromaticContact CE1-CD2 3.49Å; F226-F277 HydrophobicContact CE1-CD2 3.49Å; F226-F277 VanDerWaalsContact CE1-CD2 3.49Å; F226-F277 AromaticContact CE1-CE2 3.23Å; F226-F277 HydrophobicContact CE1-CE2 3.23Å; F226-F277 HydrophobicContact CE1-CG 4.24Å; F226-F277 AromaticContact CE1-CZ 3.81Å; F226-F277 HydrophobicContact CE1-CZ 3.81Å; F226-F277 HydrophobicContact CZ-CE2 4.04Å; F226-F277 HydrophobicContact CZ-CZ 4.22Å; L265-F277 HydrophobicContact CD2-CD1 3.58Å; L265-F277 HydrophobicContact CD2-CD2 4.47Å; L265-F277 HydrophobicContact CD2-CE1 3.8Å; L265-F277 HydrophobicContact CD2-CG 3.94Å; L265-F277 HydrophobicContact CD2-CZ 4.34Å; F277-M280 HydrophobicContact CB-SD 4.42Å
278K90.9Very high81.7Confident134 Ų13481.9 Ų81.958%0.58342%0.421SS*.SBendtrans-75-35.5-179.2-71.2-150.5-173.9-176.40113.1G263 I264 A266G263-K278 VanDerWaalsContact O-CB 3.3Å; G263-K278 WeakPolarHBondContact O-CB 3.41Å; G263-K278 WeakPolarHBondContact O-CD 3.35Å; I264-K278 PolarHBondContact O-N 3.29Å; A266-K278 HydrophobicContact CB-CG 4.3Å
279D87.3Confident79.8Confident127 Ų12786.5 Ų86.568%0.67945%0.445SS*.SBendtrans-117.7133.2166.6-179.622.5000106.6P281D279-P281 WeakPolarHBondContact O-CD 3.24Å
280M82.2Confident77.8Confident57 Ų5786.9 Ų86.928%0.28145%0.451SS..  trans-92.6114.2-170.5-173.554.9150.700109.9W218 R221 F277 K282 I284W218-M280 HydrophobicContact CE3-CE 4.48Å; W218-M280 HydrophobicContact CH2-CE 3.7Å; W218-M280 HydrophobicContact CH2-SD 4.22Å; W218-M280 HydrophobicContact CZ2-CE 4.35Å; W218-M280 HydrophobicContact CZ3-CE 3.79Å; W218-M280 HydrophobicContact CZ3-SD 4.47Å; R221-M280 WeakPolarHBondContact O-CE 3.47Å; F277-M280 HydrophobicContact CB-SD 4.42Å; M280-K282 PolarHBondContact O-N 3.01Å; M280-K282 VanDerWaalsContact O-N 3.16Å; M280-I284 HydrophobicContact CE-CD1 3.27Å; M280-I284 HydrophobicContact CG-CD1 4.2Å; M280-I284 HydrophobicContact SD-CD1 3.54Å; M280-I284 VanDerWaalsContact SD-CD1 3.54Å
281P74.4Confident75.5Confident20 Ų2090.1 Ų90.113%0.1344%0.441CS..  trans-62.1121.3-172.1-25.637000112.2W199 L203 D279 N283 I284W199-P281 HydrophobicContact CZ3-CG 4.22Å; L203-P281 HydrophobicContact CD1-CB 4.3Å; L203-P281 HydrophobicContact CD1-CG 4.02Å; L203-P281 HydrophobicContact CD2-CB 3.56Å; L203-P281 HydrophobicContact CD2-CG 3.81Å; D279-P281 WeakPolarHBondContact O-CD 3.24Å; P281-N283 WeakPolarHBondContact CB-OD1 3.4Å; P281-N283 PolarHBondContact O-N 3.15Å; P281-I284 WeakPolarHBondContact O-CG1 3.47Å; P281-I284 PolarHBondContact O-N 3.21Å
282K63.5Low72.9Confident202 Ų20290.1 Ų90.188%0.87845%0.453SS*.THydrogen-bonded Turntrans-66.7-2.5-171.9-58-178.3-177.7-179.10114.8M280M280-K282 PolarHBondContact O-N 3.01Å; M280-K282 VanDerWaalsContact O-N 3.16Å
283N61.2Low70.2Confident91 Ų9186 Ų8649%0.48744%0.443SS..THydrogen-bonded Turntrans-93.94.7-179.167.5-90.4000114.1Q207 P281 V285Q207-N283 PolarHBondContact OE1-O 3.22Å; P281-N283 WeakPolarHBondContact CB-OD1 3.4Å; P281-N283 PolarHBondContact O-N 3.15Å; N283-V285 PolarHBondContact O-N 3.33Å; N283-V285 VanDerWaalsContact O-N 3.13Å
284I68.4Low67.2Low32 Ų3290 Ų9016%0.16447%0.47CS..  trans-65113.5176.2-69.2166.5000108.9L203 W218 M280 P281 V286L203-I284 HydrophobicContact CD1-CD1 3.77Å; L203-I284 HydrophobicContact CD1-CG1 3.74Å; L203-I284 HydrophobicContact CG-CG1 4.45Å; W218-I284 HydrophobicContact CH2-CD1 4.02Å; W218-I284 HydrophobicContact CZ2-CD1 3.91Å; M280-I284 HydrophobicContact CE-CD1 3.27Å; M280-I284 HydrophobicContact CG-CD1 4.2Å; M280-I284 HydrophobicContact SD-CD1 3.54Å; M280-I284 VanDerWaalsContact SD-CD1 3.54Å; P281-I284 WeakPolarHBondContact O-CG1 3.47Å; P281-I284 PolarHBondContact O-N 3.21Å; I284-V286 PolarHBondContact O-N 3.45Å
285V64.4Low64.3Low94 Ų9496.3 Ų96.357%0.5751%0.513SS*.  trans-62.5119.5168.2-178.50000107.7N283 I287N283-V285 PolarHBondContact O-N 3.33Å; N283-V285 VanDerWaalsContact O-N 3.13Å; V285-I287 HydrophobicContact CG1-CG1 4.26Å; V285-I287 PolarHBondContact O-N 3.46Å
286V57.2Low61.4Low113 Ų113100.9 Ų100.969%0.68555%0.546SS*.  trans-67103174.8179.20000107.9I284I284-V286 PolarHBondContact O-N 3.45Å
287I59.3Low59Low25 Ų25107 Ų10713%0.12858%0.575CS.*  trans-96.2100.5173.2-75.7165000106.2Q207 K209 R221 V285 D289Q207-I287 WeakPolarHBondContact O-CD1 3.3Å; K209-I287 HydrophobicContact CD-CG2 3.87Å; K209-I287 HydrophobicContact CG-CD1 3.84Å; K209-I287 HydrophobicContact CG-CG1 4.43Å; K209-I287 HydrophobicContact CG-CG2 3.93Å; R221-I287 VanDerWaalsContact CZ-O 3.25Å; R221-I287 PolarHBondContact NH1-O 3.23Å; R221-I287 PolarHBondContact NH2-O 3.11Å; V285-I287 HydrophobicContact CG1-CG1 4.26Å; V285-I287 PolarHBondContact O-N 3.46Å; I287-D289 PolarHBondContact O-N 3.34Å
288D51.2Low56.3Low113 Ų113111.2 Ų111.260%0.60460%0.598SS**  trans-59.9133.8161.6-96.3-123.2000109.1D290D288-D290 VanDerWaalsContact C-N 3.35Å
289D56.4Low53.9Low125 Ų125108.9 Ų108.967%0.66859%0.591SS**  trans-974.3177.2-122.8-127.9000110.9I287 K291I287-D289 PolarHBondContact O-N 3.34Å; D289-K291 PolarHBondContact O-N 3.38Å
290D51.6Low51.8Low144 Ų144105.8 Ų105.877%0.7758%0.583SS**  trans-78.366.1-174.4-147.2-73.9000112.1D288D288-D290 VanDerWaalsContact C-N 3.35Å
291K45.7Very low49.8Very low153 Ų153107 Ų10767%0.66560%0.602SS**  trans179.583.9144.1-100.6-162.3176.4-147.50109.6D289 E293D289-K291 PolarHBondContact O-N 3.38Å; K291-E293 HydrophobicContact CB-CG 4.49Å; K291-E293 HydrophobicContact CD-CG 4.05Å; K291-E293 VanDerWaalsContact CE-OE1 3.3Å; K291-E293 WeakPolarHBondContact CE-OE1 3.32Å; K291-E293 HydrophobicContact CG-CG 4.01Å; K291-E293 IonicContact NZ-OE1 2.64Å; K291-E293 PolarHBondContact NZ-OE1 3.04Å; K291-E293 IonicContact NZ-OE2 2.78Å; K291-E293 PolarHBondContact NZ-OE2 3Å; K291-E293 VanDerWaalsContact NZ-OE2 3.16Å
292S41.7Very low48.2Very low108 Ų108110.3 Ų110.376%0.75563%0.631SS**  trans-107.179.8149.444.70000108.1T294S292-T294 PolarHBondContact O-N 3.18Å
293E38.3Very low47.1Very low141 Ų141105.5 Ų105.566%0.65963%0.629SS**  trans-61128.4-177.8-64.8-179.4116.100110.3K291 C295K291-E293 HydrophobicContact CB-CG 4.49Å; K291-E293 HydrophobicContact CD-CG 4.05Å; K291-E293 VanDerWaalsContact CE-OE1 3.3Å; K291-E293 WeakPolarHBondContact CE-OE1 3.32Å; K291-E293 HydrophobicContact CG-CG 4.01Å; K291-E293 IonicContact NZ-OE1 2.64Å; K291-E293 PolarHBondContact NZ-OE1 3.04Å; K291-E293 IonicContact NZ-OE2 2.78Å; K291-E293 PolarHBondContact NZ-OE2 3Å; K291-E293 VanDerWaalsContact NZ-OE2 3.16Å; E293-C295 PolarHBondContact O-N 2.92Å
294T33.7Very low46.1Very low129 Ų129108.1 Ų108.179%0.79164%0.643SS**  trans-65.3103177.145.20000109.6S292 S296S292-T294 PolarHBondContact O-N 3.18Å; T294-S296 VanDerWaalsContact C-N 3.26Å; T294-S296 PolarHBondContact O-N 3.33Å
295C35.3Very low44.8Very low134 Ų134112.3 Ų112.391%0.90566%0.662SS**  trans-73.882.2175.3-162.20000110E293E293-C295 PolarHBondContact O-N 2.92Å
296S36.1Very low43.6Very low105 Ų105115.7 Ų115.773%0.73467%0.669SS**  trans-107119.1171.5-62.10000108.4T294T294-S296 VanDerWaalsContact C-N 3.26Å; T294-S296 PolarHBondContact O-N 3.33Å
297E44.6Very low42.7Very low194 Ų194115.5 Ų115.591%0.90767%0.673SS**  trans-80.1136.6-175.8-157.7162.686.500110.4
298D39.7Very low41.5Very low95 Ų95122.3 Ų122.351%0.50871%0.709SS.*  trans-84.9-164-177.9-167-97.5000112.2A322D298-A322 PolarHBondContact OD2-N 2.99Å
299L40.6Very low40.5Very low85 Ų85123.9 Ų123.945%0.44571%0.712SS.*  trans99.746.7160.1-47.4177.1000119.4S324L299-S324 PolarHBondContact O-OG 3.3Å
300A41.5Very low39.5Very low62 Ų62127.4 Ų127.451%0.51272%0.716SS.*  trans-97.3-158.3175.100000115.4A322 S324A300-A322 VanDerWaalsContact C-CB 3.48Å; A300-A322 HydrophobicContact CB-CB 4Å; A300-A322 WeakPolarHBondContact O-CB 3.38Å; A300-S324 VanDerWaalsContact O-CB 3.25Å; A300-S324 WeakPolarHBondContact O-CB 3.06Å; A300-S324 PolarHBondContact O-OG 3.24Å
301A41.4Very low38.5Very low82 Ų82126.8 Ų126.868%0.67872%0.718SS**  trans-174.6171.1-179.200000111.1
302A40.8Very low37.8Very low89 Ų89124.3 Ų124.374%0.73672%0.72SS**  cis-175.4165.1-33.100000111.2
303A39.9Very low37.2Very low102 Ų102127.2 Ų127.284%0.84373%0.726SS**  trans69.5157.2171.300000117.6
304D40.6Very low36.7Very low146 Ų146126.6 Ų126.678%0.78174%0.737SS**  cis-151.11585.5-161.8-150.7000115.5
305E41.1Very low36.6Very low119 Ų119124.6 Ų124.656%0.55673%0.734SS**  trans49.3139.8154.8-85.5-80.754.400128
306K39.3Very low36.3Very low165 Ų165127.2 Ų127.272%0.71773%0.732SS**  trans54.7144.2154.3-88.4148.6-172.7151.40122.1
307S37Very low35.9Very low110 Ų110127 Ų12777%0.76973%0.731SS**  cis-140.9173.211.1-82.30000112.9
308L35.9Very low35.2Very low168 Ų168124.5 Ų124.588%0.8872%0.723SS**  trans-86.8154.2-177-4989.4000113.8
309E30.3Very low34.9Very low145 Ų145127.9 Ų127.968%0.67874%0.74SS**  -175121.1104-166166.8113.200116
310R35.3Very low34.4Very low199 Ų199132.6 Ų132.675%0.75176%0.757SS**  trans58.8128.5150.2-69.4168.3-169.3130.315124.5
311V30Very low33.7Very low132 Ų132133.7 Ų133.780%0.877%0.766SS**  trans85.597142.51760000120.4
312S30.4Very low33.1Very low101 Ų101130.5 Ų130.571%0.70674%0.74SS**  18.4138.2122.2-62.50000120.2
313L28.6Very low32.5Very low168 Ų168131.1 Ų131.188%0.8874%0.735SS**  cis-161.1137.55.3-100.6164.6000109
314S28.9Very low31.8Very low128 Ų128128.8 Ų128.890%0.89571%0.712SS**  trans-166.5177.4146.6-158.50000110.2
315A31.7Very low31.4Very low88 Ų88127.1 Ų127.173%0.72771%0.707SS**  trans-108176.5-166.100000115.4
316E29.1Very low31.1Very low188 Ų188132.9 Ų132.988%0.87972%0.724SS**  trans94.3141.6163.9-58.1-154.173.500120.7
317S28Very low30.6Very low100 Ų100128.8 Ų128.870%0.69973%0.728SS**  trans76119.7163.2-95.80000122.6
318L30.1Very low30.3Very low143 Ų143126.8 Ų126.875%0.74973%0.725SS**  trans79.1118134.8-71.2167000121.7
319L32.7Very low30.2Very low166 Ų166128.5 Ų128.587%0.86973%0.726SS**  trans72.5116.2145.5-56173.6000119.2
320K29.7Very low30.2Very low183 Ų183128.1 Ų128.180%0.79673%0.728SS**  trans-118.9148.9157.1174.3174.3176.6177.70108.2A322K320-A322 WeakPolarHBondContact CE-O 3.46Å
321A27.3Very low29.9Very low85 Ų85123.4 Ų123.470%0.70273%0.726SS**  trans-133.1144.716600000110.3
322A28.4Very low29.7Very low15 Ų15122 Ų12212%0.12472%0.722CS.*  trans74.9161.9-177.200000115.9D298 A300 K320D298-A322 PolarHBondContact OD2-N 2.99Å; A300-A322 VanDerWaalsContact C-CB 3.48Å; A300-A322 HydrophobicContact CB-CB 4Å; A300-A322 WeakPolarHBondContact O-CB 3.38Å; K320-A322 WeakPolarHBondContact CE-O 3.46Å
323T27.4Very low29.7Very low102 Ų102123.6 Ų123.663%0.62673%0.727SS**  cis-143.6157.32244.90000111
324S25.9Very low29.6Very low53 Ų53121.9 Ų121.937%0.37172%0.718SS.*  cis-165.2177.8-17.4-161.90000110.1L299 A300L299-S324 PolarHBondContact O-OG 3.3Å; A300-S324 VanDerWaalsContact O-CB 3.25Å; A300-S324 WeakPolarHBondContact O-CB 3.06Å; A300-S324 PolarHBondContact O-OG 3.24Å
325V33.1Very low29.5Very low111 Ų111121.4 Ų121.467%0.67371%0.714SS**  trans76.5129.3164.4170.40000120.1
326R34.7Very low29.4Very low240 Ų240122.7 Ų122.791%0.90672%0.717SS**  trans-75.6159.7170.9-50.1169.6-158.1-159.31.3110.3
327G28.5Very low29.5Very low79 Ų79125.2 Ų125.281%0.81472%0.719SS**  cis145.81503.800000110.8
328G29.5Very low29.5Very low68 Ų68124.3 Ų124.370%0.70172%0.717SS**  trans136110.1-176.100000110.1
329K34.3Very low29.5Very low205 Ų205126.1 Ų126.189%0.89172%0.722SS**  64.1128.473.2-68.6-179.9178.1175.90111.4
330N29.8Very low29.4Very low136 Ų136127.7 Ų127.773%0.72772%0.722SS**  cis-161.3165.414.246.11.5000114.1
331S30.4Very low29.3Very low101 Ų101122.4 Ų122.471%0.70672%0.719SS**  trans48.1111.6151.351.90000119.6
332S25Very low29.4Very low103 Ų103124.7 Ų124.772%0.7272%0.724SS**  89.195.772.5179.40000115.3
333V30.9Very low29.4Very low133 Ų133127.9 Ų127.981%0.80675%0.751SS**  trans-138.7113.1148.2-91.60000106.2
334N25.6Very low29.5Very low132 Ų132134.2 Ų134.271%0.70676%0.763SS**  86.9160.370.6-80.9-15.8000113.1
335C27.8Very low29.6Very low119 Ų119138.1 Ų138.180%0.80479%0.785SS**  trans69.8112.2-177.6-57.50000114.1
336S30Very low29.5Very low114 Ų114138.9 Ų138.980%0.79779%0.789SS**  cis79.197.524.497.40000116.3
337R30.9Very low29.1Very low241 Ų241133.9 Ų133.991%0.90978%0.78SS**  trans-168135.5156.9-115.9175.2169.7150.8-1106.5
338A28.6Very low29.4Very low81 Ų81136.6 Ų136.667%0.66978%0.775SS**  cis63.813034.600000112.3
339E29.1Very low29.3Very low182 Ų182140 Ų14085%0.8578%0.782SS**  cis-166.2-176-6.1-138.5-148.7113.100108.7
340K31.4Very low29.1Very low199 Ų199135 Ų13587%0.86577%0.773SS**  trans77.5150.7-175-52.4176.8176.2179.40115.6
341G27.8Very low30Very low71 Ų71134 Ų13473%0.73277%0.774SS**  cis134153.9-10.400000115.3
342V28.6Very low29.9Very low133 Ų133133.3 Ų133.381%0.80677%0.774SS**  trans83.379.6167.4-165.40000118.7
343A28.5Very low30.5Very low83 Ų83136.5 Ų136.569%0.68678%0.778SS**  65.6152.7112.500000125
344R29.8Very low30.3Very low235 Ų235137 Ų13789%0.88778%0.776SS**  trans76.5161.5167.2-53169.1178.8150.3-2.2114.2
345V28.3Very low30.7Very low135 Ų135134.6 Ų134.682%0.81877%0.774SS**  cis-134.116814.8173.20000110.8
346V30.7Very low31Very low127 Ų127134.4 Ų134.477%0.7777%0.774SS**  trans-126.3123.5171.7-171.30000111.8
347N25.3Very low30.9Very low135 Ų135134.5 Ų134.572%0.72278%0.775SS**  trans172.9136148.6-10110.6000108.2
348I35.5Very low31Very low135 Ų135134 Ų13469%0.69277%0.773SS**  69.6116.758.6-60175.4000113.6
349T26.7Very low31.1Very low139 Ų139134.8 Ų134.885%0.85377%0.773SS**  trans-163.9146.2141.5-67.70000109.1
350S31.2Very low31.7Very low102 Ų102132.2 Ų132.271%0.71377%0.772SS**  trans-93.7-162.8177-48.40000111.6
351P48.1Very low31.7Very low115 Ų115128.6 Ų128.675%0.74777%0.767SS**  cis-121.4173.645.812.514.5000112.9
352A28.8Very low31.8Very low85 Ų85132.3 Ų132.370%0.70278%0.776SS**  cis72.7145.342.400000114
353H36.3Very low32.1Very low171 Ų171132.3 Ų132.379%0.79278%0.776SS**  cis-119.4-148.415-75.7-139.8000112.5
354D27.1Very low32.1Very low143 Ų143133.2 Ų133.277%0.76578%0.784SS**  cis-155.6-137-0-151.6-105000115.2
355A35.1Very low32.2Very low81 Ų81127.4 Ų127.467%0.66978%0.779SS**  trans-121.4-178-158.100000114.9
356S32.7Very low32.3Very low116 Ų116127.6 Ų127.681%0.81178%0.781SS**  cis178.5136.9-33.71750000111.1
357S28.3Very low32.5Very low116 Ų116127.4 Ų127.481%0.81178%0.782SS**  trans-16496.3163.463.60000118.1
358R32.3Very low32.9Very low231 Ų231126.1 Ų126.187%0.87279%0.79SS**  trans29.7124.1139.2-135.3-168.4-174-171.10.6124.5
359S30.7Very low32.6Very low97 Ų97124.6 Ų124.668%0.67880%0.797SS**  trans66.7157.513856.30000121.2
360P42.3Very low33Very low127 Ų127123 Ų12383%0.82580%0.798SS**  cis-126.4-163.815.643.7-27.9000116.5
361T30.6Very low33.1Very low123 Ų123122.5 Ų122.576%0.75580%0.8SS**  trans-130.5146.1-160.7-48.20000113.5
362T30.6Very low32.5Very low150 Ų150123.1 Ų123.192%0.9281%0.805SS**  trans-149.7156153.160000111.9
363T34.9Very low33Very low132 Ų132130.7 Ų130.781%0.8182%0.815SS**  trans-126.7135.3-165.7-430000112.2
364A27.8Very low32.9Very low103 Ų103129 Ų12985%0.85182%0.817SS**  trans-152.7168.9167.700000111
365S32.7Very low33.2Very low113 Ų113128.5 Ų128.579%0.7982%0.819SS**  trans-125.5-134.9-164.765.50000114.7
366V30Very low33.1Very low139 Ų139135.9 Ų135.984%0.84283%0.829SS**  trans67154.1-174.8-79.30000118.1
367P35.1Very low33.2Very low122 Ų122136.7 Ų136.779%0.79283%0.829SS**  trans-118.5170.3-137.642.9-34.6000116.8
368A33Very low33.5Very low108 Ų108135.7 Ų135.789%0.89383%0.828SS**PPolyproline II helixtrans-79.5127.2178.700000113.7
369A29.7Very low33.6Very low103 Ų103133 Ų13385%0.85183%0.827SS**PPolyproline II helixtrans-99.3125.5167.600000110.6
370A35.1Very low33.9Very low105 Ų105137.3 Ų137.387%0.86884%0.837SS**PPolyproline II helixtrans-92.7123.3-178.400000112.1
371A33.7Very low33.6Very low92 Ų92137.3 Ų137.376%0.7683%0.834SS**PPolyproline II helixtrans-82.9134173.700000111.6
372P35.6Very low33.9Very low129 Ų129137 Ų13784%0.83883%0.834SS**PPolyproline II helixtrans-74.6131.8-177.829.3-34.3000112.3
373R39.8Very low34.4Very low243 Ų243136 Ų13692%0.91783%0.827SS**PPolyproline II helixtrans-82.6135.4171.3-66.8179.6178.2166.4-0.7110.1
374T33.3Very low34.6Very low135 Ų135135.8 Ų135.883%0.82883%0.826SS**PPolyproline II helixtrans-85.4135.6178.144.20000111.9
375V33.7Very low35Very low134 Ų134139.2 Ų139.281%0.81283%0.826SS**  trans-105.6130.5170.51790000108
376R33.2Very low35.7Very low236 Ų236139.3 Ų139.389%0.89182%0.822SS**  trans-106124.1174.6-66.5-171.9-178.9-165.40.7110.1
377V35.4Very low36.5Very low132 Ų132139 Ų13980%0.883%0.826SS**  trans-97.4134.7167.4-179.40000108.1
378A33.3Very low37.2Very low95 Ų95140.1 Ų140.179%0.78583%0.825SS**  trans-84.8112.7177.500000110.4
379M34.4Very low38.1Very low176 Ų176139.2 Ų139.287%0.86783%0.826SS**PPolyproline II helixtrans-74.9134.1168.4-74.9170.558.600110.2
380Q37.7Very low38.6Very low187 Ų187142.1 Ų142.187%0.87482%0.822SS**PPolyproline II helixtrans-80.7132.2169.8-65.7177.4-4.900109.3
381V36.6Very low38.6Very low127 Ų127147 Ų14777%0.7782%0.823SS**PPolyproline II helixtrans-94.6121.1174.8-179.50000108.6
382P36.3Very low38.9Very low115 Ų115149.9 Ų149.975%0.74782%0.824SS**PPolyproline II helixtrans-72.9131.6175.129.6-33.1000110.6
383V40.5Very low38.7Very low129 Ų129148.9 Ų148.978%0.78282%0.82SS**PPolyproline II helixtrans-97.9124.2172.4178.10000108.6
384V40.3Very low38.5Very low129 Ų129143.6 Ų143.678%0.78282%0.815SS**PPolyproline II helixtrans-89.7128.1171.1-178.10000108.5
385M34.7Very low38.6Very low174 Ų174143.3 Ų143.386%0.85781%0.813SS**PPolyproline II helixtrans-95.9131.1169.3-55.9-156.5-48.300109.9
386T48.3Very low38.6Very low116 Ų116141.3 Ų141.371%0.71281%0.811SS**PPolyproline II helixtrans-98139.8166.151.20000109.3L388T386-L388 PolarHBondContact O-N 2.99Å
387S46.6Very low38.4Very low132 Ų132136.8 Ų136.892%0.92381%0.809SS**SBendtrans-8228.3-169.956.50000114.8
388L50.2Low38.1Very low145 Ų145138.9 Ų138.976%0.75981%0.81SS**SBendtrans-151.676.9179.7-165.264.8000114.2T386 Q390T386-L388 PolarHBondContact O-N 2.99Å; L388-Q390 VanDerWaalsContact C-N 3.28Å; L388-Q390 PolarHBondContact O-N 3.38Å
389G51.7Low37.9Very low89 Ų89140 Ų14092%0.91881%0.812SS**  trans63.9-13.6140.700000121.9
390Q40.6Very low37.7Very low165 Ų165137.8 Ų137.877%0.77181%0.808SS**  trans-100.5114.5-171.2-67.8-168.5-6.200113.3L388L388-Q390 VanDerWaalsContact C-N 3.28Å; L388-Q390 PolarHBondContact O-N 3.38Å
391K35.4Very low37.3Very low206 Ų206136.2 Ų136.290%0.89681%0.806SS**  trans-79.6121.4172.763.4-168.7-175.7-64.40110.6
392I38.5Very low37.1Very low153 Ų153134.8 Ų134.879%0.78581%0.808SS**  trans-123.8132.7167.5-57.1-179.5000107.4
393S32.5Very low36.7Very low108 Ų108132.9 Ų132.976%0.75581%0.808SS**PPolyproline II helixtrans-74138.7-176.3-1710000111.2
394T35.4Very low36.1Very low132 Ų132131.6 Ų131.681%0.8181%0.812SS**PPolyproline II helixtrans-67.2148.7165.6-169.70000110.5
395V35.5Very low36.1Very low130 Ų130131.4 Ų131.479%0.78881%0.813SS**PPolyproline II helixtrans-91.9140.8-171.3178.70000110.4
396A32.6Very low35.9Very low92 Ų92129.7 Ų129.776%0.7681%0.807SS**PPolyproline II helixtrans-75.7132.5177.200000111.7
397V30.2Very low34.9Very low141 Ų141132.7 Ų132.786%0.85582%0.816SS**  trans-91.8113.8167.9-175.90000108
398Q27.9Very low34Very low175 Ų175131.5 Ų131.582%0.81880%0.804SS**  trans-69.9138.9172.2-69.2-172.826.600110.4
399S30Very low32.8Very low118 Ų118130.8 Ų130.883%0.82581%0.811SS**  trans-115.5110.4168.4-1770000108.1
400V29.2Very low31.9Very low130 Ų130131.9 Ų131.979%0.78880%0.8SS**  trans-97.6145.2170.9-67.30000109.4
401N29.9Very low31.2Very low154 Ų154129.6 Ų129.682%0.82480%0.802SS**  trans-153.2108.1-175.9174.993.1000111.9
402A31.7Very low31.4Very low98 Ų98124.9 Ų124.981%0.8179%0.793SS**  trans178139.1144.900000112.3
403G28.1Very low31Very low74 Ų74123.5 Ų123.576%0.76379%0.791SS**  79.469.612600000123.1
404A29Very low31Very low103 Ų103125.4 Ų125.485%0.85180%0.799SS**  trans63173.2139.600000119.1
405P40.6Very low31Very low125 Ų125123.7 Ų123.781%0.81280%0.798SS**  cis-117.7-169.6-6.342.3-29000114.7
406L30.5Very low31Very low137 Ų137124.5 Ų124.572%0.71780%0.803SS**  trans-68.5155.6179.3-91.160.4000114.1T408L406-T408 HydrophobicContact CD2-CG2 3.75Å; L406-T408 HydrophobicContact CG-CG2 4.23Å
407I27.8Very low31.1Very low179 Ų179125 Ų12592%0.91880%0.801SS**  -129.2126.6123.247.4172.3000110.2
408T27.6Very low31.3Very low107 Ų107124.4 Ų124.466%0.65680%0.8SS**  trans-110.5131.2174.141.30000109.9L406L406-T408 HydrophobicContact CD2-CG2 3.75Å; L406-T408 HydrophobicContact CG-CG2 4.23Å
409S25Very low31.4Very low130 Ų130124.9 Ų124.991%0.90980%0.8SS**  trans-97.3149165.9-170.50000110.3
410T31Very low31.5Very low113 Ų113125.3 Ų125.369%0.69380%0.797SS**  trans-113.9117.9-160.351.80000114.5
411S27Very low31.7Very low117 Ų117124.1 Ų124.182%0.81879%0.79SS**  trans69.1165145.6-56.90000117.9
412P38.5Very low31.7Very low107 Ų107123.6 Ų123.670%0.69579%0.786SS**  cis-125.8-176.7041.5-26.9000115.6
413T30.2Very low31.5Very low123 Ų123126.4 Ų126.476%0.75578%0.782SS**  trans76.1137.3156.939.20000121.7
414T33.2Very low31.8Very low148 Ų148128.5 Ų128.591%0.90878%0.78SS**  trans63.413916859.20000119.2
415A35.8Very low31.8Very low96 Ų96129.7 Ų129.779%0.79377%0.771SS**  trans-91.4135.7-163.900000113.8
416T35.6Very low31.2Very low147 Ų147129 Ų12990%0.90277%0.767SS**  trans-165167.7141.46.70000110
417S34.9Very low31.2Very low103 Ų103128.5 Ų128.572%0.7277%0.769SS**  trans-71.2150.2-174.245.60000113.7K419S417-K419 PolarHBondContact O-N 3.34Å
418P34.1Very low31.5Very low128 Ų128126.2 Ų126.283%0.83176%0.763SS**  trans-66.1123-179.426.5-34.5000111.7
419K29.8Very low32Very low186 Ų186126.9 Ų126.981%0.80977%0.767SS**  trans-102.295.3-178-174.8179.9-179.31800110.3S417 V421S417-K419 PolarHBondContact O-N 3.34Å; K419-V421 HydrophobicContact CG-CG2 4.34Å; K419-V421 PolarHBondContact O-N 3.15Å
420V32.4Very low32.7Very low126 Ų126126.4 Ų126.476%0.76476%0.761SS**  trans-73.8119.5176.2-177.40000109.8I422V420-I422 HydrophobicContact CG1-CG1 4.03Å
421V32.3Very low33Very low106 Ų106125.7 Ų125.764%0.64277%0.766SS**  trans-113.6111.2173.4179.50000108.3K419K419-V421 HydrophobicContact CG-CG2 4.34Å; K419-V421 PolarHBondContact O-N 3.15Å
422I31.3Very low33.7Very low143 Ų143126.2 Ų126.273%0.73377%0.77SS**  trans-94.997.1174.2-54.7-179000108V420 T424V420-I422 HydrophobicContact CG1-CG1 4.03Å; I422-T424 HydrophobicContact CG2-CG2 4.15Å; I422-T424 PolarHBondContact O-N 2.97Å
423Q27.6Very low33.8Very low157 Ų157125.1 Ų125.173%0.73477%0.77SS**  trans-96.186.2179.5-173.6175.8-0.600110.7I425Q423-I425 HydrophobicContact CG-CG1 4.45Å; Q423-I425 PolarHBondContact O-N 3.17Å
424T33.1Very low34.6Very low118 Ų118128.4 Ų128.472%0.72478%0.777SS**  trans-79101.8173.552.30000110.8I422I422-T424 HydrophobicContact CG2-CG2 4.15Å; I422-T424 PolarHBondContact O-N 2.97Å
425I29Very low35.3Very low128 Ų128128.2 Ų128.266%0.65677%0.77SS**  trans-78.6125.7167.2-57.6177.4000108.1Q423 T427Q423-I425 HydrophobicContact CG-CG1 4.45Å; Q423-I425 PolarHBondContact O-N 3.17Å; I425-T427 PolarHBondContact O-N 3.31Å; I425-T427 VanDerWaalsContact O-N 3.16Å
426P28.9Very low36.2Very low111 Ų111127.6 Ų127.672%0.72177%0.773SS**  trans-72.3107175.5-17.332000111.2V428P426-V428 PolarHBondContact O-N 3.4Å
427T29.2Very low36.7Very low126 Ų126127.5 Ų127.577%0.77377%0.767SS**  trans-68.7110.9167.4-620000109.5I425 V429I425-T427 PolarHBondContact O-N 3.31Å; I425-T427 VanDerWaalsContact O-N 3.16Å; T427-V429 HydrophobicContact CG2-CG2 3.97Å
428V35.2Very low37.1Very low130 Ų130131 Ų13179%0.78877%0.769SS**  trans-90.2119.5169.1-70.90000109.7P426P426-V428 PolarHBondContact O-N 3.4Å
429V37.3Very low37.8Very low122 Ų122132.1 Ų132.174%0.73977%0.766SS**  trans-108.6116172-173.70000108.2T427 A431T427-V429 HydrophobicContact CG2-CG2 3.97Å; V429-A431 PolarHBondContact O-N 3.13Å
430P40.5Very low38.3Very low120 Ų120128 Ų12878%0.77976%0.757SS**  trans-75.9114.9173.529.9-31.4000109.7S432P430-S432 PolarHBondContact O-N 3.28Å
431A37Very low38.6Very low98 Ų98130.3 Ų130.381%0.8176%0.762SS**  trans-76.1116.9165.600000108.8V429 A433V429-A431 PolarHBondContact O-N 3.13Å; A431-A433 PolarHBondContact O-N 3.48Å
432S41.2Very low38.8Very low128 Ų128133.7 Ų133.790%0.89577%0.771SS**  trans-77.9108.5174-171.90000109.4P430P430-S432 PolarHBondContact O-N 3.28Å
433A41.6Very low39.1Very low83 Ų83133 Ų13369%0.68678%0.775SS**  trans-91.9130.117100000110A431 N435A431-A433 PolarHBondContact O-N 3.48Å; A433-N435 PolarHBondContact O-N 3.02Å
434E47.4Very low39.6Very low193 Ų193130.1 Ų130.190%0.90278%0.779SS**SBendtrans-78.770.3171.6-170.2-176.996.900110.2
435N48.1Very low39.7Very low144 Ų144134.2 Ų134.277%0.7779%0.786SS**SBendtrans-172.5149.2154.4-102.4-46.7000110.3A433 D437A433-N435 PolarHBondContact O-N 3.02Å; N435-D437 PolarHBondContact O-N 3.18Å
436G52.8Low40.3Very low83 Ų83135.3 Ų135.386%0.85679%0.792SS**  trans-73.625.7-163.100000118.1K438G436-K438 PolarHBondContact O-N 3.24Å
437D48Very low40.7Very low145 Ų145137 Ų13778%0.77579%0.793SS**  trans-78.5112.7-177.2-91.3-43000113N435 I439N435-D437 PolarHBondContact O-N 3.18Å; D437-I439 PolarHBondContact O-N 3.47Å
438K42.9Very low41Very low176 Ų176136.7 Ų136.777%0.76579%0.792SS**  trans-80.277.7-172.7-174.1177.3162.6-71.40112.5G436 T440G436-K438 PolarHBondContact O-N 3.24Å; K438-T440 HydrophobicContact CG-CG2 4.43Å; K438-T440 VanDerWaalsContact NZ-CG2 3.29Å; K438-T440 PolarHBondContact O-N 3.39Å; K438-T440 VanDerWaalsContact O-N 3.13Å
439I47.5Very low41.3Very low151 Ų151136.8 Ų136.877%0.77479%0.786SS**  trans-61.7111.9174.5-56.8175.6000110.6D437 M441D437-I439 PolarHBondContact O-N 3.47Å; I439-M441 HydrophobicContact CG2-CG 4.42Å
440T41.1Very low41.6Very low100 Ų100134.7 Ų134.761%0.61378%0.775SS**  trans-106.7106.4171.354.90000111.2K438K438-T440 HydrophobicContact CG-CG2 4.43Å; K438-T440 VanDerWaalsContact NZ-CG2 3.29Å; K438-T440 PolarHBondContact O-N 3.39Å; K438-T440 VanDerWaalsContact O-N 3.13Å
441M38.3Very low41.9Very low174 Ų174133.1 Ų133.186%0.85777%0.772SS**PPolyproline II helixtrans-81.9129.3170.1-67.1-155.573.900111.2I439I439-M441 HydrophobicContact CG2-CG 4.42Å
442Q37.1Very low42.4Very low178 Ų178133.8 Ų133.883%0.83277%0.766SS**PPolyproline II helixtrans-91.9138.9166.3-66.3-167.8600110.4
443P38.4Very low42.5Very low128 Ų128133.7 Ų133.783%0.83175%0.752SS**PPolyproline II helixtrans-72.1132.2176.829.2-33.8000111.3
444A37.8Very low42.7Very low97 Ų97136.2 Ų136.280%0.80275%0.753SS**PPolyproline II helixtrans-68.8131.8179.600000111.9I446A444-I446 PolarHBondContact O-N 3.3Å
445K34.7Very low42.6Very low203 Ų203130.7 Ų130.788%0.88374%0.74SS**  trans-79.2101.9-177.1-170174-175175.20111.2I447K445-I447 PolarHBondContact O-N 3.49Å
446I42Very low42.4Very low151 Ų151131.1 Ų131.177%0.77474%0.738SS**  trans-66.3129.9175.8-58.4175.7000109.8A444A444-I446 PolarHBondContact O-N 3.3Å
447I36.3Very low41.7Very low146 Ų146132.8 Ų132.875%0.74974%0.735SS**  trans-94.2102.3174.9-58177000108.9K445 I449K445-I447 PolarHBondContact O-N 3.49Å; I447-I449 PolarHBondContact O-N 3.25Å
448T36.8Very low41.6Very low121 Ų121134.3 Ų134.374%0.74274%0.737SS**  trans-77.1114.1172.9-55.50000110.2
449I40.7Very low41.5Very low131 Ų131133.5 Ų133.567%0.67274%0.74SS**  trans-86.6121.9172.5-58.4177.7000108.9I447I447-I449 PolarHBondContact O-N 3.25Å
450P44.6Very low41Very low79 Ų79135.5 Ų135.551%0.51375%0.746SS.*  trans-65.8134.9176.7-22.134.5000112.4T452 Q453P450-T452 PolarHBondContact O-N 3.26Å; P450-Q453 PolarHBondContact O-N 3.12Å; P450-Q453 VanDerWaalsContact O-N 3.12Å
451A45.9Very low40.5Very low86 Ų86136.9 Ų136.971%0.71176%0.755SS**G310 helixtrans-59.9-19.9-17600000114.5Q453 L454A451-Q453 PolarHBondContact O-N 3.02Å; A451-L454 PolarHBondContact O-N 3.42Å
452T47.3Very low40.2Very low112 Ų112138.5 Ų138.569%0.68776%0.757SS**G310 helixtrans-61.8-23.5175.541.40000113.9P450P450-T452 PolarHBondContact O-N 3.26Å
453Q43Very low39.8Very low126 Ų126134.9 Ų134.959%0.58975%0.751SS**G310 helixtrans-75.7-22.9177.8-74.1-73.2-64.300113.6P450 A451 A455P450-Q453 PolarHBondContact O-N 3.12Å; P450-Q453 VanDerWaalsContact O-N 3.12Å; A451-Q453 PolarHBondContact O-N 3.02Å; Q453-A455 VanDerWaalsContact C-N 3.34Å; Q453-A455 PolarHBondContact O-N 3.26Å
454L45.3Very low39.2Very low137 Ų137136.1 Ų136.172%0.71775%0.751SS**G310 helixtrans-79.9-13.4-176.5-100.1164.2000114.2A451A451-L454 PolarHBondContact O-N 3.42Å
455A47.2Very low39Very low76 Ų76139.9 Ų139.963%0.62876%0.757SS**G310 helixtrans-79.5-18.1-175.300000114.6Q453Q453-A455 VanDerWaalsContact C-N 3.34Å; Q453-A455 PolarHBondContact O-N 3.26Å
456Q44Very low38.9Very low154 Ų154137 Ų13772%0.7276%0.757SS**SBendtrans-88.5-18-173.3-71.6-175.6-40.100114.5Q458Q456-Q458 VanDerWaalsContact C-N 3.32Å; Q456-Q458 PolarHBondContact O-N 3.03Å
457C37.1Very low38.2Very low117 Ų117133.2 Ų133.279%0.79176%0.755SS**THydrogen-bonded Turntrans-81.57-175.2-73.60000116
458Q44.8Very low38.1Very low177 Ų177132.8 Ų132.883%0.82777%0.765SS**THydrogen-bonded Turntrans-115.66.6-178.6-73.3-16169.900115.5Q456Q456-Q458 VanDerWaalsContact C-N 3.32Å; Q456-Q458 PolarHBondContact O-N 3.03Å
459L41.4Very low37.8Very low159 Ų159131 Ų13183%0.83277%0.769SS**  trans-120.768-179.4-72.4176.1000113.2
460Q36.6Very low37.3Very low193 Ų193129.9 Ų129.990%0.90277%0.774SS**  trans-153.273.7162.6-141.8166.787.400112.9
461T30.6Very low36.5Very low129 Ų129134 Ų13479%0.79179%0.79SS**  trans-137.4141165.157.70000111.7
462K31.7Very low35.8Very low209 Ų209136.9 Ų136.991%0.90979%0.793SS**  trans70.4152-177.5-53.4-176.6-179.3179.60114.2
463S29Very low35.2Very low101 Ų101139.5 Ų139.571%0.70680%0.801SS**  cis-141142.512.455.50000114.1
464N27.3Very low34.8Very low154 Ų154140.3 Ų140.382%0.82481%0.814SS**  trans176.698.2135.1-95.8-24.5000111
465L32.4Very low34.2Very low177 Ų177137.2 Ų137.293%0.92782%0.816SS**  trans-176.2154.3152.2-105.1159.2000109.6
466T31.9Very low33.5Very low143 Ų143140.1 Ų140.188%0.87783%0.826SS**  trans-108.4145-158.9-380000112.7
467G29Very low33.1Very low71 Ų71138.8 Ų138.873%0.73283%0.83SS**  trans124.5103.5156.500000117.2
468S34.4Very low32.7Very low137 Ų137141.5 Ų141.596%0.95884%0.836SS**  trans31.2126.2151.4-152.90000121.7
469G28.9Very low32Very low82 Ų82137.9 Ų137.985%0.84584%0.837SS**  trans154.990.9166.400000113.4
470S30.5Very low31.3Very low109 Ų109137 Ų13776%0.76284%0.838SS**  trans-101.8127.7-170.3570000114.6
471I29.1Very low31Very low166 Ų166139.6 Ų139.685%0.85184%0.839SS**  trans-137.7131.6151.5-56.8-178.5000107.8
472N30.7Very low30.9Very low145 Ų145138 Ų13878%0.77584%0.839SS**  trans-102.1148.6175.1-73-63.7000110.8
473I33.6Very low30.8Very low167 Ų167136.2 Ų136.286%0.85684%0.839SS**  trans-128.6131.3162.1-66.7-179.3000107.5
474V34.9Very low31Very low144 Ų144137.6 Ų137.687%0.87384%0.843SS**  trans-105134.3-177.5172.80000109.7
475G32.4Very low31.3Very low72 Ų72136.3 Ų136.374%0.74284%0.843SS**  trans-175.4126173.200000110.6
476T32.1Very low31.3Very low137 Ų137134.2 Ų134.284%0.8484%0.837SS**PPolyproline II helixtrans-84.5148.1-173.138.40000113.2
477P37.2Very low31.5Very low126 Ų126132.7 Ų132.782%0.81883%0.832SS**PPolyproline II helixtrans-79.6144.2176.332.5-34.4000112
478L27.4Very low31.9Very low174 Ų174136.7 Ų136.791%0.91184%0.835SS**PPolyproline II helixtrans-103.2135.7173-143.678.6000110.3
479A30Very low31.8Very low101 Ų101134.6 Ų134.684%0.83583%0.826SS**PPolyproline II helixtrans-87143-177.200000112.7
480V28.4Very low31.9Very low141 Ų141140.3 Ų140.386%0.85583%0.831SS**  trans-116.9123.1175.6-178.30000109.6
481R28.9Very low32.7Very low246 Ų246138.5 Ų138.593%0.92883%0.829SS**  trans-90.6132167.4-87.5-179.2166.9161.7-4.3109.8
482A28.3Very low32.8Very low96 Ų96137.1 Ų137.179%0.79383%0.828SS**  trans-88.4153.3169.100000111
483L30.5Very low33.1Very low172 Ų172136.2 Ų136.290%0.90183%0.83SS**  trans-119.7151.8167.2-69.2176.2000109.5
484T32.1Very low33.2Very low130 Ų130135.3 Ų135.380%0.79883%0.832SS**PPolyproline II helixtrans-81.3145.2-171.844.10000112.8
485P35Very low33Very low126 Ų126137 Ų13782%0.81883%0.833SS**PPolyproline II helixtrans-75.6143.8172.231.9-34.1000111.4
486V32.3Very low33Very low134 Ų134144.6 Ų144.681%0.81284%0.839SS**PPolyproline II helixtrans-93.1140.3168.6172.70000109.1
487S36.3Very low32.8Very low111 Ų111146 Ų14678%0.77684%0.84SS**PPolyproline II helixtrans-99.5143.5176.7-173.50000111.1
488I36.7Very low32.5Very low155 Ų155145.2 Ų145.280%0.79584%0.838SS**  trans-132.4132.5170.3-59.6-179.2000107.7
489A33.3Very low32.9Very low92 Ų92143.4 Ų143.476%0.7683%0.834SS**  trans-90.9165.2-174.500000113.1
490H30.7Very low33.2Very low203 Ų203144.3 Ų144.394%0.9483%0.831SS**SBendtrans-74.7143.5-178.2-53.8126.2000113.4
491G46.3Very low33.3Very low70 Ų70142 Ų14272%0.72283%0.826SS**  trans118.483.7155.100000116.5
492T32.5Very low33.4Very low137 Ų137138.3 Ų138.384%0.8482%0.82SS**  trans-163.5145.6157.53.60000109.1
493P36.9Very low33.6Very low126 Ų126141.9 Ų141.982%0.81882%0.82SS**PPolyproline II helixtrans-82.6146.7-17232.3-34.2000113.2
494V34.8Very low33.8Very low149 Ų149138.4 Ų138.490%0.90382%0.816SS**PPolyproline II helixtrans-86.9132.2175.9-1790000110.5
495M30.6Very low33.5Very low178 Ų178138.2 Ų138.288%0.87782%0.82SS**PPolyproline II helixtrans-77.9136.6-176.8-161.8168.7-179.200111.8
496R33.6Very low33.2Very low233 Ų233135.7 Ų135.788%0.87982%0.817SS**PPolyproline II helixtrans-87.7120-176.7-178-179.3-173.9140.9-1.8110.9
497L26.8Very low33.1Very low166 Ų166138.6 Ų138.687%0.86982%0.822SS**PPolyproline II helixtrans-90.3142.6163.3-111.572.3000110.6
498S31.9Very low33.1Very low109 Ų109139 Ų13976%0.76282%0.82SS**  trans-104.3146.6-177.8420000112.3
499V35.5Very low33.2Very low136 Ų136136.9 Ų136.982%0.82482%0.816SS**  trans-84.7130172.4174.70000109.2
500P36.3Very low33.1Very low121 Ų121138.7 Ų138.779%0.78682%0.82SS**  trans-77.9144.8167.332.7-33.1000110.6
501A30.8Very low33.2Very low91 Ų91140 Ų14075%0.75282%0.817SS**  trans-133.9127.2-179.100000111.6
502Q30.8Very low32.4Very low169 Ų169143.5 Ų143.579%0.7982%0.824SS**  trans-176.5150.4164-109.3171.3-20.400107.4
503Q31Very low32.3Very low172 Ų172144.4 Ų144.480%0.80482%0.822SS**  cis-151.3166-1.5-155.4156.62.700109.1
504A34.6Very low31.9Very low98 Ų98143.2 Ų143.281%0.8182%0.817SS**  trans-127.9131.6-173.800000114.1
505S27.9Very low31.7Very low126 Ų126140.7 Ų140.788%0.88181%0.811SS**  trans-163.9144.9155.654.70000108.6
506G28.6Very low31.7Very low73 Ų73138 Ų13875%0.75380%0.804SS**  cis149.2100.2-14.900000112.5
507Q28.9Very low31.6Very low196 Ų196135 Ų13592%0.91680%0.804SS**  trans-158.1157.8164-121.2174.11100115.4
508T36.4Very low31.7Very low119 Ų119136.3 Ų136.373%0.7380%0.803SS**PPolyproline II helixtrans-53.2161.1-176.245.50000118
509P39.7Very low31.6Very low110 Ų110134.5 Ų134.571%0.71480%0.801SS**PPolyproline II helixtrans-73.7147.6177.931.9-36.8000113.6
510P31.5Very low32Very low131 Ų131134.6 Ų134.685%0.85180%0.804SS**PPolyproline II helixtrans-74.1146.1172.931.3-34.1000111.8
511R32.8Very low31.6Very low231 Ų231136.1 Ų136.187%0.87280%0.801SS**PPolyproline II helixtrans-95.6145.8-177.7-63.3160.673.2-176.94.9110.3
512V27.5Very low31.7Very low143 Ų143138.6 Ų138.687%0.86781%0.807SS**PPolyproline II helixtrans-68.7132.3171.2-179.30000109.6
513I30.9Very low31.7Very low155 Ų155138.4 Ų138.480%0.79580%0.803SS**  trans-117.7120.1167.2-60.7178.3000107.1
514S28.9Very low31.7Very low102 Ų102135 Ų13571%0.71380%0.799SS**  trans-92.6134.7171.1-175.40000109.5
515A30.7Very low31.3Very low95 Ų95139.8 Ų139.879%0.78580%0.804SS**  trans-124.793.9174.700000109.2
516V30.6Very low31.5Very low121 Ų121138 Ų13873%0.73380%0.797SS**  trans-85.8127.1172170.40000109.2
517I32.1Very low31.5Very low172 Ų172141.3 Ų141.388%0.88280%0.802SS**  trans-117.9146.9164.8-60.8-179000107.5
518K27.8Very low31.6Very low193 Ų193136.2 Ų136.284%0.83979%0.794SS**  trans-135.3120-142.7178-175.3176.6-177.60114.3
519G30.7Very low31.3Very low70 Ų70140.8 Ų140.872%0.72280%0.804SS**  trans77.7-175.7156.500000116.8
520P43.7Very low30.8Very low138 Ų138144.9 Ų144.990%0.89681%0.81SS**  cis-107174.66.339.4-32.4000115.8
521E27.3Very low30.6Very low153 Ų153148 Ų14872%0.71581%0.813SS**  trans-101.4149.7179.4170.4-166.3146.400111
522V33.3Very low30.4Very low144 Ų144144.2 Ų144.287%0.87381%0.805SS**  trans-141.6134.4151.5-78.10000112
523K30.2Very low30.6Very low164 Ų164145.1 Ų145.171%0.71380%0.8SS**  trans-78.8175.3160.4-64.3178.1178.7177.90108.9
524S31.2Very low30.5Very low102 Ų102142 Ų14271%0.71379%0.785SS**  cis-155.7137.329.7-51.70000109.3
525E26.6Very low30.9Very low198 Ų198143 Ų14393%0.92579%0.786SS**  92.5160.995.8-165.5165.111200113.1
526A31.8Very low31.1Very low89 Ų89145.5 Ų145.574%0.73678%0.78SS**  trans-101.1166-156.200000114.7
527V28.4Very low31.1Very low142 Ų142145.7 Ų145.786%0.86178%0.781SS**  -155.2139.8128.1132.80000109.2
528A31.8Very low31.1Very low89 Ų89146 Ų14674%0.73678%0.784SS**  trans-85.9158.2-177.800000112.9
529K29.2Very low31.1Very low215 Ų215145.4 Ų145.494%0.93578%0.784SS**  trans-152.2145.3146.2-112.5154.7-170.4174.80112.5
530K30.4Very low30.9Very low196 Ų196149.3 Ų149.385%0.85279%0.787SS**  trans-100.5131-173.8167-165.9177.5-172.40108.5
531Q27.4Very low30.3Very low195 Ų195149.4 Ų149.491%0.91179%0.785SS**  trans-149158161.4-161.4152.9-300113.1
532E28.8Very low30.4Very low152 Ų152150 Ų15071%0.7179%0.788SS**  trans-128.5137.4-165.3157.3-156109.500108.1
533H30.3Very low30.3Very low162 Ų162152 Ų15275%0.7579%0.788SS**  trans175.5150.5153.2-111.6-124.9000106.4
534D29.1Very low30.2Very low91 Ų91153.3 Ų153.349%0.48779%0.793SS.*  cis135.1155.410.6172.2-141.4000105.9K536D534-K536 WeakPolarHBondContact OD1-CD 3.33Å; D534-K536 IonicContact OD1-NZ 2.65Å; D534-K536 PolarHBondContact OD1-NZ 2.76Å; D534-K536 IonicContact OD2-NZ 2.82Å; D534-K536 PolarHBondContact OD2-NZ 3.21Å
535V38.6Very low30.3Very low122 Ų122151.8 Ų151.874%0.73979%0.794SS**  trans-111.3110-174.71790000111.5
536K32.9Very low30.7Very low148 Ų148146.6 Ų146.664%0.64379%0.785SS**  trans-145.6131.4156-77.196.1-159.7164.50107.1D534D534-K536 WeakPolarHBondContact OD1-CD 3.33Å; D534-K536 IonicContact OD1-NZ 2.65Å; D534-K536 PolarHBondContact OD1-NZ 2.76Å; D534-K536 IonicContact OD2-NZ 2.82Å; D534-K536 PolarHBondContact OD2-NZ 3.21Å
537T32.3Very low30.9Very low124 Ų124150.4 Ų150.476%0.76179%0.793SS**  cis61.680.947.1-49.80000111.4
538L30.6Very low31.3Very low179 Ų179145.6 Ų145.694%0.93777%0.772SS**PPolyproline II helixtrans-85.2130.8168.7-76.6175.8000110.6
539Q27.7Very low32Very low181 Ų181149 Ų14985%0.84678%0.778SS**PPolyproline II helixtrans-94.8149.4177.3-174.9171.4-5.200110.1
540L28.1Very low32.4Very low151 Ų151148.1 Ų148.179%0.79177%0.774SS**PPolyproline II helixtrans-66.2134.6-180-161.979000111.5
541V31.3Very low33.2Very low140 Ų140145.2 Ų145.285%0.84877%0.773SS**  trans-128.8130.9158.7175.90000107.3
542E29Very low33.5Very low165 Ų165141.1 Ų141.177%0.77176%0.761SS**  trans-103.7131.2-175.1-176.8179.5103.900109.8
543E29.6Very low34.1Very low188 Ų188139.6 Ų139.688%0.87976%0.762SS**  trans-115.8139.7169.4-156.2-151.7116.700109.8
544K29.3Very low34.5Very low190 Ų190139.4 Ų139.483%0.82676%0.761SS**  trans-111.491.8-166-176-179.2174.8179.60111.8
545G32.2Very low35Very low70 Ų70141 Ų14172%0.72277%0.774SS**  trans-68.6152.4169.700000113.2
546A35.5Very low35.1Very low90 Ų90140.5 Ų140.574%0.74477%0.771SS**  trans-103.4148.9-17800000113.2
547D37.1Very low35.3Very low169 Ų169139.6 Ų139.690%0.90478%0.778SS**  trans48.8150.4159.7-74.2-77.6000121.9
548G37.1Very low35.6Very low41 Ų41139.2 Ų139.242%0.42378%0.775SS.*  trans116.325.1160.500000119.1K550G548-K550 PolarHBondContact O-N 3.16Å
549N45.4Very low35.6Very low159 Ų159136.2 Ų136.285%0.8577%0.769SS**  trans26.884151.454.6-88.9000118.7
550K37.8Very low36.1Very low197 Ų197131.1 Ų131.186%0.85776%0.758SS**  trans-136.7144.8169.7-68.4169.3-165.7171.20111.5G548G548-K550 PolarHBondContact O-N 3.16Å
551T46.8Very low37Very low135 Ų135130 Ų13083%0.82876%0.759SS**  trans-70.1132.717846.90000111.9
552V34.1Very low37.4Very low110 Ų110129.3 Ų129.367%0.66776%0.761SS**  trans-87.2110.8176.8179.40000110.8H554V552-H554 PolarHBondContact O-N 3.22Å
553T41.8Very low37.8Very low120 Ų120126.1 Ų126.174%0.73676%0.763SS**  trans-79.6101.9170.7-52.80000109.9V555T553-V555 PolarHBondContact O-N 3.49Å; T553-V555 VanDerWaalsContact O-N 3.11Å
554H37.9Very low38.1Very low158 Ų158125.4 Ų125.473%0.73176%0.763SS**  trans-74.398.9174-76.4-84.8000111.3V552 V556V552-H554 PolarHBondContact O-N 3.22Å; H554-V556 PolarHBondContact O-N 3.32Å; H554-V556 VanDerWaalsContact O-N 3.16Å
555V40.9Very low38.3Very low123 Ų123120.7 Ų120.775%0.74576%0.759SS**  trans-75.498.2169.5-1790000109.1T553 V557T553-V555 PolarHBondContact O-N 3.49Å; T553-V555 VanDerWaalsContact O-N 3.11Å; V555-V557 HydrophobicContact CG1-CG2 4.23Å; V555-V557 PolarHBondContact O-N 3.35Å
556V39.9Very low38.4Very low113 Ų113125 Ų12569%0.68577%0.765SS**  trans-86.1103.4174.6-172.60000109.3H554 V558H554-V556 PolarHBondContact O-N 3.32Å; H554-V556 VanDerWaalsContact O-N 3.16Å; V556-V558 HydrophobicContact CG1-CG2 3.76Å; V556-V558 PolarHBondContact O-N 3.44Å
557V37.8Very low38.5Very low129 Ų129126.8 Ų126.878%0.78277%0.769SS**  trans-77.685.9173.6-176.10000109.5V555 S559V555-V557 HydrophobicContact CG1-CG2 4.23Å; V555-V557 PolarHBondContact O-N 3.35Å; V557-S559 PolarHBondContact O-N 2.96Å
558V37.4Very low38.4Very low115 Ų115124.9 Ų124.970%0.69776%0.763SS**  trans-77.4102.2171.5-176.20000109V556 A560V556-V558 HydrophobicContact CG1-CG2 3.76Å; V556-V558 PolarHBondContact O-N 3.44Å; V558-A560 PolarHBondContact O-N 3.13Å; V558-A560 VanDerWaalsContact O-N 3.14Å
559S30.2Very low38.3Very low117 Ų117129.6 Ų129.682%0.81878%0.784SS**  trans-75.598.3170.9-168.10000109.9V557V557-S559 PolarHBondContact O-N 2.96Å
560A39.8Very low37.8Very low74 Ų74130.4 Ų130.461%0.61279%0.785SS**PPolyproline II helixtrans-89.7131.8179.300000111.3V558 S562V558-A560 PolarHBondContact O-N 3.13Å; V558-A560 VanDerWaalsContact O-N 3.14Å; A560-S562 PolarHBondContact O-N 2.97Å
561P46.5Very low37.5Very low127 Ų127128.8 Ų128.883%0.82578%0.778SS**PPolyproline II helixtrans-73.7122.7169.229.7-32.1000110.2
562S39.4Very low37.2Very low126 Ų126129 Ų12988%0.88178%0.779SS**PPolyproline II helixtrans-63.2142.7-179.1-63.90000113.2A560A560-S562 PolarHBondContact O-N 2.97Å
563A37.5Very low37.1Very low98 Ų98130.6 Ų130.681%0.8178%0.78SS**PPolyproline II helixtrans-82.2156.7178.700000113.1
564I35.7Very low36.8Very low173 Ų173128.4 Ų128.489%0.88778%0.781SS**  trans-118.8132.9155.1-64.5179.8000107
565A33.7Very low36.8Very low90 Ų90128.4 Ų128.474%0.74479%0.785SS**  trans-88.5153.6-168.900000113.7
566L33.8Very low36.7Very low161 Ų161128.9 Ų128.984%0.84379%0.788SS**  trans-123.2141.9156.2-72.5175.2000108.5
567P38.8Very low36.7Very low128 Ų128128.8 Ų128.883%0.83179%0.788SS**  trans-76.4129.1-171.129.5-34.6000112.4
568V34.5Very low36.6Very low128 Ų128128.7 Ų128.778%0.77679%0.792SS**  trans-106.4123.6165.3174.60000108.3
569T34.3Very low36.8Very low141 Ų141131.4 Ų131.487%0.86580%0.797SS**  trans-77.5120.8175.140.30000110.4
570M35.6Very low37.3Very low176 Ų176137.7 Ų137.787%0.86781%0.809SS**  trans-98.2134.8176.9-53-1688600109.8
571K32.1Very low37.2Very low162 Ų162140.9 Ų140.970%0.70482%0.819SS**  trans-107129.6-178.1-174.3176.7-178.5-73.40109.4E573K571-E573 IonicContact NZ-OE1 2.65Å; K571-E573 PolarHBondContact NZ-OE1 2.89Å; K571-E573 IonicContact NZ-OE2 2.75Å; K571-E573 PolarHBondContact NZ-OE2 3.35Å
572T39Very low36.7Very low140 Ų140141.6 Ų141.686%0.85982%0.819SS**  trans-96.999.5-164.8-480000113.3
573E33.5Very low36.6Very low144 Ų144142.4 Ų142.467%0.67382%0.815SS**  trans-160.3138.5164.854.5-13364.900109.8K571K571-E573 IonicContact NZ-OE1 2.65Å; K571-E573 PolarHBondContact NZ-OE1 2.89Å; K571-E573 IonicContact NZ-OE2 2.75Å; K571-E573 PolarHBondContact NZ-OE2 3.35Å
574G33.9Very low36.5Very low74 Ų74145.1 Ų145.176%0.76382%0.816SS**  cis-164.4166-5.700000111.7
575L39.3Very low36.6Very low157 Ų157143.3 Ų143.382%0.82281%0.811SS**  trans-74.6131.4-177.9175.771000112.2T577L575-T577 HydrophobicContact CD1-CG2 4.37Å
576V37.4Very low36.8Very low134 Ų134146.9 Ų146.981%0.81282%0.816SS**  trans-136.7127.8159179.90000109.3
577T40.9Very low37Very low111 Ų111145.9 Ų145.968%0.68181%0.814SS**  trans-97.3151.2175.846.60000111.2L575L575-T577 HydrophobicContact CD1-CG2 4.37Å
578C35.2Very low36.8Very low127 Ų127147.2 Ų147.286%0.85881%0.812SS**  trans-142.9110.3156.6-83.10000109.6
579E41.8Very low37Very low171 Ų171148.8 Ų148.880%0.79982%0.815SS**  trans-63.3157.9144.8-121.9-177.193.700107.9
580K41.5Very low37.3Very low249 Ų249149.5 Ų149.5100%1.08381%0.811SS**  cis-155.6014.8178.6174-176.5158.20110.5

Retrieved 580 of 580 residues in 119.8 ms (Link to these results)