A0A096M072_POEFO Loading...

Family with sequence similarity 43 member A

AlphaFold DB , UniProt , Accession A0A096M072, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 353 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
1M35.6Very low33.7Very low251 Ų251152.1 Ų152.1100%1.23686%0.858SS**  0117.50-151.4167.9-168.300106.7
2L29.3Very low34.4Very low159 Ų159152.2 Ų152.283%0.83285%0.853SS**  trans-78.6164.7-174.6-79.9157.7000112.4
3L30.6Very low34.9Very low147 Ų147149.8 Ų149.877%0.7785%0.848SS**  trans94.9107.1157.4-51177.9000115.4
4L31.6Very low34.8Very low160 Ų160156.6 Ų156.684%0.83885%0.854SS**  69.49266.2-67.8171.7000113.6
5N33.7Very low34.9Very low171 Ų171159.7 Ų159.791%0.91486%0.856SS**  trans-114.6143.5153.8-80.9-11.5000106.2
6G32.4Very low35.1Very low77 Ų77162.3 Ų162.379%0.79486%0.857SS**  cis167134.79.400000105.5
7N33.7Very low35Very low157 Ų157161.8 Ų161.884%0.8486%0.855SS**  trans-81.5158.1-153.3-162.118.3000115.9
8S36Very low34.8Very low87 Ų87162.4 Ų162.461%0.60885%0.849SS**  trans-20.5124.7170.861.70000120.2
9G34.2Very low34.6Very low80 Ų80164.8 Ų164.883%0.82585%0.853SS**  trans-94.5113.4154.200000110.8
10K39.4Very low34.5Very low193 Ų193162.6 Ų162.684%0.83984%0.842SS**  trans-117.3116.4164.9-76.9-172.3179.1177.70109.1
11M34.7Very low34.5Very low191 Ų191163.4 Ų163.494%0.94185%0.847SS**PPolyproline II helixtrans-65133.3177-61.4172.167.200110.5
12L41.1Very low34.5Very low153 Ų153159 Ų15980%0.80183%0.827SS**PPolyproline II helixtrans-91.8135.5168.9-73.7167000109.8
13P41.7Very low34.6Very low121 Ų121160.1 Ų160.179%0.78683%0.828SS**PPolyproline II helixtrans-82129.1-17531.2-31.6000111.6K15P13-K15 PolarHBondContact O-N 3.45Å
14W33.4Very low34.9Very low245 Ų245162.2 Ų162.293%0.92883%0.834SS**  trans-74.3114.9174.2-68.436.3000108.8K16W14-K16 PolarHBondContact O-N 3.27Å
15K35.6Very low34.7Very low204 Ų204162 Ų16289%0.88783%0.833SS**  trans-72112.3172-99.3-167.3176.1-172.90109.6P13P13-K15 PolarHBondContact O-N 3.45Å
16K38.3Very low34.7Very low201 Ų201162.4 Ų162.487%0.87483%0.827SS**  trans-74.9120166.4-63.6178.1178.3179.40108.5W14 K18W14-K16 PolarHBondContact O-N 3.27Å; K16-K18 PolarHBondContact O-N 3.32Å
17N33.5Very low34.5Very low154 Ų154167.4 Ų167.482%0.82483%0.829SS**  trans-82.4112.1164.7-89.6-10.1000108.5
18K32.3Very low34.3Very low173 Ų173164.9 Ų164.975%0.75282%0.824SS**  trans-83.9120.1172.3-158.9-179.4-176-1690106.8K16 D20K16-K18 PolarHBondContact O-N 3.32Å; K18-D20 PolarHBondContact O-N 3.03Å
19F30.4Very low34Very low208 Ų208170.5 Ų170.591%0.91284%0.838SS**  trans-75.7106.8168.5-85.1-95.6000107.3
20D32.5Very low34Very low120 Ų120176.2 Ų176.264%0.64284%0.843SS**  trans-97.6121.3165.3-77.8-30.7000108.6K18K18-D20 PolarHBondContact O-N 3.03Å
21L33.4Very low33.7Very low179 Ų179176.4 Ų176.494%0.93784%0.844SS**  trans-71.2125172.4-156.576.2000107.5
22I35.8Very low33.5Very low160 Ų160171.1 Ų171.182%0.82184%0.839SS**  trans-124.1125.5171.4-63175.8000108.6
23E32.3Very low33.3Very low182 Ų182174.7 Ų174.785%0.8584%0.843SS**  trans-59.6158.9175.6-71.2171.4136.800112.8
24E35.8Very low32.9Very low191 Ų191173.7 Ų173.789%0.89385%0.845SS**  trans-59133.5175.5-63.8-161.6141.700111.9
25D28.8Very low33Very low154 Ų154167.9 Ų167.982%0.82484%0.836SS**  trans-153.9157.7136.5-122.5-25.8000114.5
26K32.7Very low33.3Very low181 Ų181163.3 Ų163.379%0.78783%0.83SS**  trans-70.4162.9-161.6-65.5162.4174.2162.50115.9
27Q28.5Very low33.4Very low181 Ų181161.1 Ų161.185%0.84683%0.827SS**  trans81.8108.1157.7-65.1179.31.600119.1
28S28.7Very low33.8Very low105 Ų105160.7 Ų160.773%0.73483%0.825SS**  138.8139.310971.40000116.3
29K30.3Very low34.5Very low204 Ų204161.8 Ų161.889%0.88783%0.826SS**  trans70.9116.8154.2-68.6175.8-179.2177.60120.2
30Q35.1Very low35.6Very low200 Ų200156.6 Ų156.694%0.93582%0.815SS**  trans-58133.3168-66.6172.6-45.200112
31K32.3Very low36.3Very low197 Ų197154.4 Ų154.486%0.85781%0.814SS**  trans-129.5111.2155.8-100.3-179.2176.2177.10108.3
32G30.8Very low37.1Very low81 Ų81152 Ų15284%0.83580%0.801SS**  trans-75.2128.4175.400000110.9A34G32-A34 PolarHBondContact O-N 3.07Å
33Y36.7Very low37.8Very low227 Ų227148 Ų14889%0.8978%0.784SS**  trans-83.9104.7162.1-78.3-90.5000107.8
34A33Very low38.4Very low100 Ų100144.6 Ų144.683%0.82678%0.78SS**  trans-77.6116.9169.500000108.8G32 S36G32-A34 PolarHBondContact O-N 3.07Å; A34-S36 PolarHBondContact O-N 2.95Å
35V35.8Very low38.9Very low124 Ų124143.4 Ų143.475%0.75277%0.773SS**  trans-78.4108165.5171.60000106.7L37V35-L37 HydrophobicContact CG1-CD2 4.3Å; V35-L37 HydrophobicContact CG1-CG 4.3Å; V35-L37 PolarHBondContact O-N 2.96Å
36S43.2Very low39.8Very low107 Ų107139.8 Ų139.875%0.74876%0.764SS**  trans-70.2104.7172.259.90000109.3A34A34-S36 PolarHBondContact O-N 2.95Å
37L39.4Very low40.6Very low156 Ų156140.9 Ų140.982%0.81777%0.768SS**  trans-87.7128.6167-69.6173.4000109.1V35 Y39V35-L37 HydrophobicContact CG1-CD2 4.3Å; V35-L37 HydrophobicContact CG1-CG 4.3Å; V35-L37 PolarHBondContact O-N 2.96Å; L37-Y39 PolarHBondContact O-N 3.32Å
38N42.9Very low41.5Very low145 Ų145137.3 Ų137.378%0.77576%0.763SS**  trans-59.1129.9-176.1-75.1-43.3000112.4S40N38-S40 PolarHBondContact O-N 2.81Å
39Y47Very low42.3Very low196 Ų196136.4 Ų136.477%0.76976%0.756SS**THydrogen-bonded Turntrans-75.14.3-172-167.4-103.3000114.9L37 T43L37-Y39 PolarHBondContact O-N 3.32Å; Y39-T43 HydrophobicContact CD1-CG2 4.49Å; Y39-T43 HydrophobicContact CE1-CG2 4.19Å
40S53.4Low43.1Very low99 Ų99131.3 Ų131.369%0.69274%0.744SS**THydrogen-bonded Turntrans-92.1-12.3-168.658.30000115.9N38 T43N38-S40 PolarHBondContact O-N 2.81Å; S40-T43 PolarHBondContact O-OG1 2.91Å
41A46.9Very low43.9Very low74 Ų74130.8 Ų130.861%0.61274%0.741SS**SBendtrans-96.4-11.6-178.400000114.3
42L49.6Very low44.8Very low128 Ų128126 Ų12667%0.6773%0.733SS**SBendtrans-97.5-8.9-177-65.8177.7000113.6S44L42-S44 PolarHBondContact O-N 3.45Å
43T49.6Very low45.6Very low76 Ų76124.2 Ų124.247%0.46671%0.71SS.*THydrogen-bonded Turntrans-76.3-19.1-176.942.80000114Y39 S40Y39-T43 HydrophobicContact CD1-CG2 4.49Å; Y39-T43 HydrophobicContact CE1-CG2 4.19Å; S40-T43 PolarHBondContact O-OG1 2.91Å
44S46Very low46.4Very low110 Ų110120 Ų12077%0.76970%0.702SS**THydrogen-bonded Turntrans-82-18.9175.6-88.40000114.7L42L42-S44 PolarHBondContact O-N 3.45Å
45F47.1Very low47.2Very low167 Ų167122.2 Ų122.273%0.73270%0.701SS**THydrogen-bonded Turntrans-94.5-11.8177-71.3-75.4000113.4K47F45-K47 VanDerWaalsContact C-N 3.34Å; F45-K47 PolarHBondContact O-N 3.37Å
46A47.3Very low48.1Very low77 Ų77126.6 Ų126.664%0.63670%0.704SS**THydrogen-bonded Turntrans-85.40.2-173.500000114.5
47K48.6Very low48.6Very low204 Ų204125.3 Ų125.389%0.88769%0.691SS**THydrogen-bonded Turntrans-94.82.4180-79-165.7175.1-176.80115.3F45F45-K47 VanDerWaalsContact C-N 3.34Å; F45-K47 PolarHBondContact O-N 3.37Å
48S47.4Very low49.2Very low106 Ų106120.7 Ų120.774%0.74168%0.681SS**SBendtrans-13117.6-174.963.40000116.3
49C46.1Very low49.8Very low86 Ų86118 Ų11858%0.58167%0.673SS**  trans-134123.6179.6-155.10000112.5
50P47.9Very low50.1Low98 Ų98116 Ų11664%0.63667%0.673SS**  trans-66.4147.4176.727-31.8000111.2S52 A53P50-S52 PolarHBondContact O-N 3.02Å; P50-A53 PolarHBondContact O-N 3.25Å
51E50.4Low50.2Low188 Ų188119.2 Ų119.288%0.87968%0.675SS**THydrogen-bonded Turntrans-60.1-0.3-166.6-151.6150.5155.900116
52S51.4Low50.6Low97 Ų97124.2 Ų124.268%0.67868%0.683SS**THydrogen-bonded Turntrans-96.9-9.2-177.857.60000114.9P50P50-S52 PolarHBondContact O-N 3.02Å
53A48.5Very low51.1Low43 Ų43122.8 Ų122.836%0.35568%0.683SS.*SBendtrans-85.2-24.7-179.300000114.2P50 N55 R56P50-A53 PolarHBondContact O-N 3.25Å; A53-N55 PolarHBondContact O-N 3.18Å; A53-R56 PolarHBondContact O-N 3.45Å
54L52.2Low51.6Low139 Ų139127.9 Ų127.973%0.72870%0.699SS**Hα-helixtrans-72.8-27.1-173.6-73.3177.4000113.8R56L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 3.37Å
55N51.6Low52.3Low147 Ų147134.3 Ų134.379%0.78671%0.706SS**Hα-helixtrans-74.6-16.6178.5-69.6-26.5000113.4A53A53-N55 PolarHBondContact O-N 3.18Å
56R53.4Low53.1Low216 Ų216134.3 Ų134.382%0.81571%0.706SS**Hα-helixtrans-87.6-22178.9-166.5175.5-99.8-151-2.5113A53 L54A53-R56 PolarHBondContact O-N 3.45Å; L54-R56 VanDerWaalsContact C-N 3.28Å; L54-R56 PolarHBondContact O-N 3.37Å
57V54Low53.8Low80 Ų80140.1 Ų140.149%0.48572%0.717SS.*Hα-helixtrans-92-21.7-176.8-168.50000112.7S59 M60 F61V57-S59 PolarHBondContact O-N 3.01Å; V57-S59 VanDerWaalsContact O-N 3.16Å; V57-M60 PolarHBondContact O-N 3.48Å; V57-F61 HydrophobicContact CG1-CE2 4.27Å
58G51.7Low54.4Low59 Ų59135.3 Ų135.361%0.60871%0.705SS**THydrogen-bonded Turntrans-65.2-16.3178.200000115.2
59S55.7Low54.7Low88 Ų88139.4 Ų139.462%0.61571%0.709SS**THydrogen-bonded Turntrans-89.2-21.1179.1-164.60000113.5V57 F61V57-S59 PolarHBondContact O-N 3.01Å; V57-S59 VanDerWaalsContact O-N 3.16Å; S59-F61 PolarHBondContact O-N 2.8Å
60M53.8Low55.4Low155 Ų155142 Ų14276%0.76472%0.716SS**THydrogen-bonded Turntrans-75.4-10.4-175-63.2-151.673.100114.1V57V57-M60 PolarHBondContact O-N 3.48Å
61F55.9Low55.7Low166 Ų166143.3 Ų143.373%0.72872%0.722SS**THydrogen-bonded Turntrans-11824.2-177.2-62.1-79.2000114.2V57 S59 S63V57-F61 HydrophobicContact CG1-CE2 4.27Å; S59-F61 PolarHBondContact O-N 2.8Å; F61-S63 PolarHBondContact O-N 3.45Å
62K55.1Low56.3Low179 Ų179139.4 Ų139.478%0.77872%0.715SS**  trans-73.361.5157.9-65.3-161-178.9-177.10109.6K64K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 2.99Å
63S58.6Low57.3Low97 Ų97142.8 Ų142.868%0.67872%0.72SS**  trans-56.197.4165.4168.30000106.8F61 R65F61-S63 PolarHBondContact O-N 3.45Å; S63-R65 VanDerWaalsContact C-N 3.29Å; S63-R65 PolarHBondContact O-N 2.96Å
64K62Low59Low183 Ų183144.1 Ų144.180%0.79672%0.722SS**  trans-55.9103.6163.5-81.6-175.3176.11800104.8K62 K66K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 2.99Å; K64-K66 PolarHBondContact O-N 3.36Å
65R59.5Low60.7Low245 Ų245139.8 Ų139.893%0.92570%0.702SS**  trans-59.386.3171.1-74.2-176.8179.5178.9-0.2107.3S63 K67S63-R65 VanDerWaalsContact C-N 3.29Å; S63-R65 PolarHBondContact O-N 2.96Å; R65-K67 PolarHBondContact O-N 3.18Å
66K63.6Low62.6Low168 Ų168136 Ų13673%0.7368%0.684SS**  trans-76.5119.3171.6-75.7-174.9177.5-179.10106.3K64 V68K64-K66 PolarHBondContact O-N 3.36Å; K66-V68 VanDerWaalsContact C-N 3.29Å; K66-V68 PolarHBondContact O-N 2.91Å
67K62Low64.5Low198 Ų198126.8 Ų126.886%0.86165%0.65SS**  trans-68.990.7170.7-172.9175.6-178.2177.20107.4R65 K69R65-K67 PolarHBondContact O-N 3.18Å; K67-K69 PolarHBondContact O-N 3.43Å
68V61.2Low66.4Low104 Ų104127.5 Ų127.563%0.6365%0.654SS**  trans-78.7115.5171.9-177.30000106.5K66 I70K66-V68 VanDerWaalsContact C-N 3.29Å; K66-V68 PolarHBondContact O-N 2.91Å; V68-I70 VanDerWaalsContact C-N 3.27Å; V68-I70 HydrophobicContact CB-CG1 4.14Å; V68-I70 HydrophobicContact CG1-CG1 3.72Å; V68-I70 PolarHBondContact O-N 3.11Å
69K53.2Low68.5Low192 Ų192124.9 Ų124.984%0.83563%0.626SS**  trans-71.293.2164.9-73.6-175.8179-178.70106.4K67K67-K69 PolarHBondContact O-N 3.43Å
70I62.6Low70.3Confident140 Ų140122.3 Ų122.372%0.71861%0.606SS**  trans-76.7128.6175.4-59.1170.9000106.1V68V68-I70 VanDerWaalsContact C-N 3.27Å; V68-I70 HydrophobicContact CB-CG1 4.14Å; V68-I70 HydrophobicContact CG1-CG1 3.72Å; V68-I70 PolarHBondContact O-N 3.11Å
71T52.9Low72.3Confident125 Ų125116.6 Ų116.677%0.76758%0.576SS**  trans82.379.8178.8-33.10000114.4
72S63.7Low74.1Confident106 Ų106109.6 Ų109.674%0.74155%0.546SS*.PPolyproline II helixtrans-66.2126.7145.751.70000107.2
73E73.1Confident75.9Confident168 Ų168101.8 Ų101.879%0.78552%0.516SS*.PPolyproline II helixtrans-57.1144.1170.2-175.1175.918000110.1
74D83.2Confident77.6Confident71 Ų71100 Ų10038%0.3850%0.499SS..PPolyproline II helixtrans-62.2123.1178.2-73.3-21.4000109.5T76 T119 S121D74-T76 PolarHBondContact O-N 2.93Å; D74-T76 PolarHBondContact O-OG1 3.24Å; D74-T119 HydrophobicContact CB-CG2 3.53Å; D74-S121 WeakPolarHBondContact OD2-CB 3.41Å; D74-S121 PolarHBondContact OD2-OG 3.33Å
75P88.9Confident79.2Confident48 Ų4891.7 Ų91.731%0.31246%0.464SS..PPolyproline II helixtrans-65.7127.9-173.226.8-35000110.8Y77 V120 L193P75-Y77 HydrophobicContact CB-CE2 3.95Å; P75-Y77 HydrophobicContact CG-CE2 4.37Å; P75-V120 PolarHBondContact O-N 3Å; P75-L193 HydrophobicContact CB-CD2 4.28Å; P75-L193 HydrophobicContact CG-CD2 3.22Å; P75-L193 HydrophobicContact CG-CG 4.47Å
76T91.1Very high80.8Confident67 Ų6784.2 Ų84.241%0.41145%0.446SS..EExtended strand (participates in β ladder)trans-114.4130.6-175.8-62.10000110.7D74 R117 L118 T119D74-T76 PolarHBondContact O-N 2.93Å; D74-T76 PolarHBondContact O-OG1 3.24Å; T76-R117 HydrophobicContact CG2-CB 4.06Å; T76-L118 WeakPolarHBondContact CA-O 3.31Å; T76-T119 WeakPolarHBondContact CG2-OG1 3.44Å; T76-T119 WeakPolarHBondContact OG1-CG2 3.45Å; T76-T119 PolarHBondContact OG1-OG1 3.16Å
77Y92.9Very high82.1Confident24 Ų2477.3 Ų77.39%0.09442%0.418CS..EExtended strand (participates in β ladder)trans-122128.8-176.6-56.7-85.1000110.4P75 V79 L118 M190 L193P75-Y77 HydrophobicContact CB-CE2 3.95Å; P75-Y77 HydrophobicContact CG-CE2 4.37Å; Y77-V79 PolarHBondContact O-N 3.47Å; Y77-L118 PolarHBondContact N-O 3.34Å; Y77-L118 PolarHBondContact O-N 3.35Å; Y77-M190 HydrophobicContact CD1-CG 4.24Å; Y77-M190 HydrophobicContact CD1-SD 4.15Å; Y77-M190 HydrophobicContact CD2-CE 4.08Å; Y77-M190 HydrophobicContact CD2-CG 3.72Å; Y77-M190 HydrophobicContact CD2-SD 3.9Å; Y77-M190 HydrophobicContact CE1-CG 4.2Å; Y77-M190 HydrophobicContact CE2-CG 3.66Å; Y77-M190 HydrophobicContact CE2-SD 4.44Å; Y77-M190 HydrophobicContact CG-CE 4.3Å; Y77-M190 HydrophobicContact CG-CG 4.01Å; Y77-M190 HydrophobicContact CG-SD 3.73Å; Y77-L193 HydrophobicContact CE2-CD2 4.41Å
78T93.7Very high83.4Confident94 Ų9475.9 Ų75.958%0.57742%0.418SS*.EExtended strand (participates in β ladder)trans-77.2118.8168.1-52.30000109.2V130T78-V130 HydrophobicContact CG2-CG2 4.03Å
79V94.9Very high84.6Confident5 Ų576 Ų763%0.0341%0.412CS..EExtended strand (participates in β ladder)trans-131.1157.2-176.3-57.80000110.9Y77 M116 L118 M127 V179 V181 M190Y77-V79 PolarHBondContact O-N 3.47Å; V79-M116 PolarHBondContact N-O 3.11Å; V79-M116 PolarHBondContact O-N 3.35Å; V79-L118 HydrophobicContact CG1-CB 4.28Å; V79-L118 HydrophobicContact CG2-CB 3.75Å; V79-L118 HydrophobicContact CG2-CD1 4.35Å; V79-M127 HydrophobicContact CG2-CE 3.92Å; V79-V179 HydrophobicContact CB-CB 4.08Å; V79-V179 HydrophobicContact CB-CG2 4.34Å; V79-V179 HydrophobicContact CG1-CG2 4.43Å; V79-V179 HydrophobicContact CG2-CB 4.02Å; V79-V179 HydrophobicContact CG2-CG1 3.99Å; V79-V179 HydrophobicContact CG2-CG2 4.42Å; V79-V181 HydrophobicContact CG1-CG2 4.01Å; V79-M190 HydrophobicContact CG1-CE 4.2Å; V79-M190 HydrophobicContact CG1-SD 4.4Å
80L94.9Very high86Confident34 Ų3468.9 Ų68.918%0.17839%0.386CS..EExtended strand (participates in β ladder)trans-100.2111.9171.8-175.475.5000108.8L82 G110 G113 K115 V179 L180L80-L82 HydrophobicContact CD2-CD2 4.14Å; L80-L82 HydrophobicContact CG-CD2 4.45Å; L80-L82 PolarHBondContact O-N 3.12Å; L80-G110 WeakPolarHBondContact CD2-O 3.25Å; L80-G113 VanDerWaalsContact CD1-C 3.41Å; L80-G113 WeakPolarHBondContact CD1-O 3.11Å; L80-K115 HydrophobicContact CD1-CG 3.94Å; L80-V179 CarbonylContact O-C 3.57Å; L80-V179 WeakPolarHBondContact O-CA 3.42Å; L80-L180 HydrophobicContact CB-CB 4.22Å; L80-L180 HydrophobicContact CD2-CD2 4.12Å; L80-L180 PolarHBondContact N-O 2.86Å; L80-L180 PolarHBondContact O-N 2.7Å
81Y95.3Very high87Confident35 Ų3565.4 Ų65.414%0.13737%0.366CS..EExtended strand (participates in β ladder)trans-75.4115.5176.8-179.4-110.4000110.2G113 T114 M116 M127 H177 V179Y81-G113 CarbonylContact O-C 3.58Å; Y81-G113 VanDerWaalsContact O-CA 3.24Å; Y81-G113 WeakPolarHBondContact O-CA 3.48Å; Y81-T114 PolarHBondContact N-O 2.88Å; Y81-T114 PolarHBondContact O-N 3.26Å; Y81-M116 HydrophobicContact CD1-CE 4.18Å; Y81-M116 HydrophobicContact CD1-SD 4.34Å; Y81-M116 HydrophobicContact CG-CE 4.45Å; Y81-M116 HydrophobicContact CG-SD 4.02Å; Y81-M127 HydrophobicContact CD2-CE 4.48Å; Y81-H177 HydrophobicContact CE2-CB 4.4Å; Y81-H177 AromaticContact CE2-ND1 3.94Å; Y81-H177 AromaticContact CZ-ND1 3.97Å; Y81-H177 PolarHBondContact OH-ND1 2.75Å; Y81-H177 VanDerWaalsContact OH-ND1 3.11Å; Y81-V179 HydrophobicContact CD2-CG1 3.91Å
82L94.3Very high88.5Confident19 Ų1961.1 Ų61.110%0.09935%0.346CS..EExtended strand (participates in β ladder)trans-85.3-29.5-177-59.5-179.1000112.1L80 I103 W104 I158 A178 L180L80-L82 HydrophobicContact CD2-CD2 4.14Å; L80-L82 HydrophobicContact CG-CD2 4.45Å; L80-L82 PolarHBondContact O-N 3.12Å; L82-I103 HydrophobicContact CB-CG2 3.56Å; L82-W104 HydrophobicContact CD1-CE3 3.85Å; L82-W104 HydrophobicContact CD1-CZ3 4.07Å; L82-I158 HydrophobicContact CD1-CD1 4.24Å; L82-A178 PolarHBondContact N-O 3.48Å; L82-A178 VanDerWaalsContact N-O 3.15Å; L82-L180 HydrophobicContact CD1-CB 4.16Å; L82-L180 HydrophobicContact CD2-CB 4.04Å; L82-L180 HydrophobicContact CG-CB 4.13Å
83G92.8Very high89.4Confident14 Ų1463.2 Ų63.214%0.14435%0.349CS..EExtended strand (participates in β ladder)trans135.9-160.2178.700000113.2A178G83-A178 PolarHBondContact O-N 3.17Å
84N93.9Very high90Very high60 Ų6056.3 Ų56.332%0.32132%0.323SS..EExtended strand (participates in β ladder)trans-136.3152.3-176.457.83.4000112.2R175 C176N84-R175 HydrophobicContact CB-CG 3.74Å; N84-R175 VanDerWaalsContact ND2-CD 3.33Å; N84-R175 WeakPolarHBondContact ND2-CD 3.35Å; N84-R175 PolarHBondContact ND2-NE 2.86Å; N84-R175 PolarHBondContact ND2-NH1 2.7Å; N84-C176 CarbonylContact C-O 3.53Å; N84-C176 WeakPolarHBondContact CA-O 2.93Å
85A95.1Very high90.2Very high9 Ų953.3 Ų53.37%0.07431%0.307CS..EExtended strand (participates in β ladder)trans-140.6147.2173.500000109.9A99 I103 R175 C176A85-A99 HydrophobicContact CB-CB 4.22Å; A85-I103 HydrophobicContact CB-CD1 3.92Å; A85-I103 HydrophobicContact CB-CG1 3.69Å; A85-R175 CarbonylContact O-C 3.58Å; A85-R175 WeakPolarHBondContact O-CA 3.28Å; A85-C176 PolarHBondContact N-O 2.7Å; A85-C176 PolarHBondContact O-N 2.67Å
86T93.5Very high90.4Very high87 Ų8751.1 Ų51.153%0.53429%0.293SS..EExtended strand (participates in β ladder)trans-71.9140.9173.549.90000110M173T86-M173 HydrophobicContact CG2-CE 4.47Å; T86-M173 HydrophobicContact CG2-CG 4.25Å; T86-M173 HydrophobicContact CG2-SD 3.67Å
87T91.9Very high90.4Very high24 Ų2449.4 Ų49.415%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-129156.3174.6-172.20000109.7Q89 C95 I162 L174T87-Q89 WeakPolarHBondContact CG2-O 3.38Å; T87-C95 PolarHBondContact OG1-O 3.48Å; T87-I162 HydrophobicContact CG2-CD1 4.08Å; T87-I162 HydrophobicContact CG2-CG1 4.34Å; T87-I162 HydrophobicContact CG2-CG2 3.93Å; T87-L174 HydrophobicContact CG2-CB 3.74Å; T87-L174 PolarHBondContact N-O 2.98Å; T87-L174 WeakPolarHBondContact O-CB 3.42Å
88I87.3Confident90.4Very high168 Ų16855 Ų5586%0.86231%0.31SS*.SBendtrans-96-33.2-179.4-58.1171.9000110.1
89Q86.6Confident90.4Very high106 Ų10650.6 Ų50.650%0.49528%0.284SS..  trans-92.3136.8-177.5-67-177.77.500110.9T87 C95T87-Q89 WeakPolarHBondContact CG2-O 3.38Å; Q89-C95 HydrophobicContact CB-CB 3.67Å; Q89-C95 VanDerWaalsContact OE1-CB 3.26Å
90S82.6Confident90.3Very high42 Ų4250.4 Ų50.429%0.29428%0.283SS..SBendtrans-91.9-27.8177.453.50000113.2T147 Y148S90-T147 WeakPolarHBondContact O-CB 3.37Å; S90-T147 PolarHBondContact O-OG1 3.47Å; S90-Y148 WeakPolarHBondContact O-CB 3.42Å
91K85.2Confident90.3Very high68 Ų6851.8 Ų51.830%0.29630%0.295SS..SBendtrans-152.5157.9-176.2-56.2-171.4-178.7-1780108.9D297 E300 S302K91-D297 PolarHBondContact NZ-O 3.02Å; K91-E300 PolarHBondContact NZ-O 3.13Å; K91-S302 WeakPolarHBondContact CB-OG 3.49Å; K91-S302 WeakPolarHBondContact CD-OG 3.34Å; K91-S302 VanDerWaalsContact CG-OG 3.23Å; K91-S302 WeakPolarHBondContact CG-OG 3.45Å
92G83.6Confident90.2Very high34 Ų3455.7 Ų55.735%0.35131%0.313SS..SBendtrans124.2158.9176.700000113.1C95 Y148G92-C95 WeakPolarHBondContact O-CB 3.25Å; G92-C95 PolarHBondContact O-N 3.24Å; G92-C95 PolarHBondContact O-SG 3.48Å; G92-Y148 PolarHBondContact O-OH 2.77Å
93D83.3Confident90.3Very high150 Ų15055 Ų5580%0.80231%0.309SS*.THydrogen-bonded Turntrans-66.7138.9176.4-168.415.7000110.7C95D93-C95 PolarHBondContact O-N 3.25Å; D93-C95 VanDerWaalsContact O-N 3.17Å
94G84.9Confident90.3Very high24 Ų2456.9 Ų56.925%0.24731%0.312CS..THydrogen-bonded Turntrans69.52.2-177.200000116.4T96 D97G94-T96 PolarHBondContact O-N 3.12Å; G94-T96 VanDerWaalsContact O-N 3.08Å; G94-D97 WeakPolarHBondContact O-CB 3.28Å; G94-D97 PolarHBondContact O-N 3.38Å; G94-D97 VanDerWaalsContact O-N 3.09Å
95C88.3Confident90.4Very high7 Ų756.3 Ų56.35%0.04732%0.32CS..THydrogen-bonded Turntrans-60.4-23.8-178.167.60000113.8T87 Q89 G92 D93 Y148 I162T87-C95 PolarHBondContact OG1-O 3.48Å; Q89-C95 HydrophobicContact CB-CB 3.67Å; Q89-C95 VanDerWaalsContact OE1-CB 3.26Å; G92-C95 WeakPolarHBondContact O-CB 3.25Å; G92-C95 PolarHBondContact O-N 3.24Å; G92-C95 PolarHBondContact O-SG 3.48Å; D93-C95 PolarHBondContact O-N 3.25Å; D93-C95 VanDerWaalsContact O-N 3.17Å; C95-Y148 WeakPolarHBondContact SG-CD1 3.39Å; C95-Y148 WeakPolarHBondContact SG-CE1 3.31Å; C95-I162 HydrophobicContact CB-CD1 4.46Å
96T91.8Very high90.2Very high3 Ų363.4 Ų63.42%0.01835%0.349CS..THydrogen-bonded Turntrans-94.2-17.9179.344.50000113.9G94 M98 A99 V100 Y148 V150 I162G94-T96 PolarHBondContact O-N 3.12Å; G94-T96 VanDerWaalsContact O-N 3.08Å; T96-M98 PolarHBondContact O-N 3.46Å; T96-A99 PolarHBondContact O-N 3.38Å; T96-V100 WeakPolarHBondContact O-CB 2.98Å; T96-V100 WeakPolarHBondContact O-CG2 3.3Å; T96-V100 PolarHBondContact O-N 3.49Å; T96-Y148 HydrophobicContact CG2-CD1 3.6Å; T96-Y148 HydrophobicContact CG2-CE1 3.56Å; T96-V150 HydrophobicContact CG2-CG1 3.88Å; T96-V150 WeakPolarHBondContact OG1-CG1 3.23Å; T96-I162 HydrophobicContact CG2-CD1 3.86Å; T96-I162 HydrophobicContact CG2-CG1 3.89Å
97D91.6Very high90.1Very high30 Ų3059.3 Ų59.316%0.1633%0.325CS..Hα-helixtrans-59.5-48.1-166.9-71.98.8000112.6G94 A99 S101 R154G94-D97 WeakPolarHBondContact O-CB 3.28Å; G94-D97 PolarHBondContact O-N 3.38Å; G94-D97 VanDerWaalsContact O-N 3.09Å; D97-A99 VanDerWaalsContact C-N 3.32Å; D97-A99 PolarHBondContact O-N 3.44Å; D97-S101 VanDerWaalsContact O-CB 3.27Å; D97-S101 WeakPolarHBondContact O-CB 3.47Å; D97-S101 PolarHBondContact O-N 2.84Å; D97-S101 PolarHBondContact O-OG 2.99Å; D97-R154 IonicContact OD2-CZ 3.4Å; D97-R154 IonicContact OD2-NH1 3.76Å; D97-R154 PolarHBondContact OD2-NH1 2.96Å; D97-R154 IonicContact OD2-NH2 2.98Å; D97-R154 PolarHBondContact OD2-NH2 3.36Å
98M92.8Very high89.9Confident141 Ų14163.4 Ų63.470%0.69534%0.342SS*.Hα-helixtrans-65.7-37.4178.5-67.1-176.170.800111.7T96 K102T96-M98 PolarHBondContact O-N 3.46Å; M98-K102 VanDerWaalsContact O-CG 3.27Å; M98-K102 WeakPolarHBondContact O-CG 3.47Å; M98-K102 PolarHBondContact O-N 3.13Å; M98-K102 VanDerWaalsContact O-N 3.13Å
99A93.4Very high89.8Confident3 Ų361.3 Ų61.33%0.02533%0.33CS..Hα-helixtrans-72.4-44.9-178.500000111.1A85 T96 D97 K102 I103 C176A85-A99 HydrophobicContact CB-CB 4.22Å; T96-A99 PolarHBondContact O-N 3.38Å; D97-A99 VanDerWaalsContact C-N 3.32Å; D97-A99 PolarHBondContact O-N 3.44Å; A99-K102 PolarHBondContact O-N 2.67Å; A99-I103 VanDerWaalsContact O-CG1 3.26Å; A99-I103 WeakPolarHBondContact O-CG1 3.42Å; A99-I103 PolarHBondContact O-N 2.89Å; A99-C176 HydrophobicContact CB-CB 3.55Å
100V94.1Very high89.6Confident1 Ų156.9 Ų56.91%0.00631%0.313CS..Hα-helixtrans-62.9-44.1175.5173.90000110.4T96 K102 I103 W104 D152 L155 I158 A160T96-V100 WeakPolarHBondContact O-CB 2.98Å; T96-V100 WeakPolarHBondContact O-CG2 3.3Å; T96-V100 PolarHBondContact O-N 3.49Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.08Å; V100-I103 PolarHBondContact O-N 3.34Å; V100-I103 VanDerWaalsContact O-N 3.14Å; V100-W104 VanDerWaalsContact O-CB 3.27Å; V100-W104 WeakPolarHBondContact O-CB 3.45Å; V100-W104 PolarHBondContact O-N 2.82Å; V100-D152 WeakPolarHBondContact CG1-OD2 3.26Å; V100-L155 HydrophobicContact CG1-CD1 4.4Å; V100-I158 HydrophobicContact CG1-CD1 4.05Å; V100-I158 HydrophobicContact CG1-CG2 4.08Å; V100-A160 HydrophobicContact CG2-CB 3.77Å
101S93.8Very high89.8Confident63 Ų6362.7 Ų62.744%0.44133%0.333SS..Hα-helixtrans-59.1-41.5176.6-59.30000112.2D97 W104 G105D97-S101 VanDerWaalsContact O-CB 3.27Å; D97-S101 WeakPolarHBondContact O-CB 3.47Å; D97-S101 PolarHBondContact O-N 2.84Å; D97-S101 PolarHBondContact O-OG 2.99Å; S101-W104 PolarHBondContact O-N 3.18Å; S101-G105 PolarHBondContact O-N 3.39Å
102K94.3Very high89.8Confident117 Ų11763.3 Ų63.351%0.50934%0.339SS..Hα-helixtrans-65-42.7174.9-75.3173.1-175.3178.80112.2M98 A99 V100 K106M98-K102 VanDerWaalsContact O-CG 3.27Å; M98-K102 WeakPolarHBondContact O-CG 3.47Å; M98-K102 PolarHBondContact O-N 3.13Å; M98-K102 VanDerWaalsContact O-N 3.13Å; A99-K102 PolarHBondContact O-N 2.67Å; V100-K102 VanDerWaalsContact C-N 3.31Å; V100-K102 PolarHBondContact O-N 3.08Å; K102-K106 WeakPolarHBondContact O-CB 3.5Å; K102-K106 VanDerWaalsContact O-CG 3.27Å; K102-K106 WeakPolarHBondContact O-CG 3.47Å; K102-K106 PolarHBondContact O-N 3.06Å; K102-K106 VanDerWaalsContact O-N 3.09Å
103I94.6Very high90Very high3 Ų363.5 Ų63.52%0.01534%0.341CS..Hα-helixtrans-66.1-42.6178-65162.7000110L82 A85 A99 V100 G105 K106 S107 A178L82-I103 HydrophobicContact CB-CG2 3.56Å; A85-I103 HydrophobicContact CB-CD1 3.92Å; A85-I103 HydrophobicContact CB-CG1 3.69Å; A99-I103 VanDerWaalsContact O-CG1 3.26Å; A99-I103 WeakPolarHBondContact O-CG1 3.42Å; A99-I103 PolarHBondContact O-N 2.89Å; V100-I103 PolarHBondContact O-N 3.34Å; V100-I103 VanDerWaalsContact O-N 3.14Å; I103-G105 PolarHBondContact O-N 2.86Å; I103-K106 PolarHBondContact O-N 3.25Å; I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 2.91Å; I103-S107 PolarHBondContact O-OG 3.35Å; I103-A178 HydrophobicContact CD1-CB 3.9Å; I103-A178 HydrophobicContact CG2-CB 4.11Å
104W94.6Very high90.4Very high54 Ų5459.3 Ų59.321%0.20532%0.321CS..Hα-helixtrans-60.7-46.9179.4-172.1-118.7000111.9L82 V100 S101 K106 S107 M109 L155 I158 L180L82-W104 HydrophobicContact CD1-CE3 3.85Å; L82-W104 HydrophobicContact CD1-CZ3 4.07Å; V100-W104 VanDerWaalsContact O-CB 3.27Å; V100-W104 WeakPolarHBondContact O-CB 3.45Å; V100-W104 PolarHBondContact O-N 2.82Å; S101-W104 PolarHBondContact O-N 3.18Å; W104-K106 PolarHBondContact O-N 3.42Å; W104-S107 WeakPolarHBondContact CA-OG 3.39Å; W104-S107 PolarHBondContact O-N 3.42Å; W104-S107 PolarHBondContact O-OG 3.25Å; W104-M109 HydrophobicContact CD2-SD 4.49Å; W104-M109 HydrophobicContact CG-SD 4.3Å; W104-M109 HydrophobicContact CH2-CB 4.46Å; W104-M109 WeakPolarHBondContact CH2-O 3.35Å; W104-M109 VanDerWaalsContact CZ2-C 3.47Å; W104-M109 HydrophobicContact CZ2-CB 3.81Å; W104-M109 WeakPolarHBondContact CZ2-O 3.3Å; W104-M109 HydrophobicContact CZ2-SD 4.4Å; W104-M109 PolarHBondContact NE1-SD 2.86Å; W104-M109 PolarHBondContact O-N 3.45Å; W104-L155 HydrophobicContact CB-CD1 4.36Å; W104-L155 HydrophobicContact CD2-CD1 4.03Å; W104-L155 HydrophobicContact CG-CD1 3.86Å; W104-I158 HydrophobicContact CD2-CD1 4.14Å; W104-I158 HydrophobicContact CE3-CD1 3.61Å; W104-I158 HydrophobicContact CZ3-CD1 4.02Å; W104-L180 HydrophobicContact CZ3-CD1 4.39Å
105G94.1Very high90.7Very high49 Ų4963.2 Ų63.251%0.50533%0.331SS..Hα-helixtrans-61.3-42.1173.900000113.2S101 I103 S107 E108S101-G105 PolarHBondContact O-N 3.39Å; I103-G105 PolarHBondContact O-N 2.86Å; G105-S107 VanDerWaalsContact C-N 3.29Å; G105-S107 PolarHBondContact O-N 3.32Å; G105-E108 PolarHBondContact O-N 2.99Å
106K92.6Very high91Very high157 Ų15763.3 Ų63.368%0.68333%0.331SS*.Hα-helixtrans-65.9-29.4176.1-74.4177180-173.30113.6K102 I103 W104 E108K102-K106 WeakPolarHBondContact O-CB 3.5Å; K102-K106 VanDerWaalsContact O-CG 3.27Å; K102-K106 WeakPolarHBondContact O-CG 3.47Å; K102-K106 PolarHBondContact O-N 3.06Å; K102-K106 VanDerWaalsContact O-N 3.09Å; I103-K106 PolarHBondContact O-N 3.25Å; W104-K106 PolarHBondContact O-N 3.42Å; K106-E108 PolarHBondContact O-N 2.83Å
107S90Very high91Very high2 Ų268.2 Ų68.21%0.01435%0.349CS..THydrogen-bonded Turntrans-84.37.5179.970.70000114I103 W104 G105 M109 G110 K111 N112I103-S107 WeakPolarHBondContact O-CB 3.31Å; I103-S107 PolarHBondContact O-N 2.91Å; I103-S107 PolarHBondContact O-OG 3.35Å; W104-S107 WeakPolarHBondContact CA-OG 3.39Å; W104-S107 PolarHBondContact O-N 3.42Å; W104-S107 PolarHBondContact O-OG 3.25Å; G105-S107 VanDerWaalsContact C-N 3.29Å; G105-S107 PolarHBondContact O-N 3.32Å; S107-M109 VanDerWaalsContact C-N 3.3Å; S107-M109 PolarHBondContact O-N 2.87Å; S107-G110 PolarHBondContact O-N 3.47Å; S107-G110 VanDerWaalsContact O-N 3.12Å; S107-G110 PolarHBondContact OG-N 3.01Å; S107-K111 PolarHBondContact O-N 3.41Å; S107-K111 VanDerWaalsContact O-N 3.11Å; S107-N112 WeakPolarHBondContact CB-O 3.47Å; S107-N112 PolarHBondContact O-N 3.39Å
108E89.4Confident91.2Very high110 Ų11066.8 Ų66.851%0.51434%0.341SS..THydrogen-bonded Turntrans51.548-174.5-62.1-179.1-164.700112.4G105 K106 G110 K111G105-E108 PolarHBondContact O-N 2.99Å; K106-E108 PolarHBondContact O-N 2.83Å; E108-G110 PolarHBondContact O-N 2.91Å; E108-K111 HydrophobicContact CB-CB 4.31Å; E108-K111 WeakPolarHBondContact O-CG 3.33Å
109M84.9Confident91.2Very high123 Ų12361 Ų6161%0.60631%0.314SS*.THydrogen-bonded Turntrans6239.6-177-48.4-61.2-171.700113.5W104 S107W104-M109 HydrophobicContact CD2-SD 4.49Å; W104-M109 HydrophobicContact CG-SD 4.3Å; W104-M109 HydrophobicContact CH2-CB 4.46Å; W104-M109 WeakPolarHBondContact CH2-O 3.35Å; W104-M109 VanDerWaalsContact CZ2-C 3.47Å; W104-M109 HydrophobicContact CZ2-CB 3.81Å; W104-M109 WeakPolarHBondContact CZ2-O 3.3Å; W104-M109 HydrophobicContact CZ2-SD 4.4Å; W104-M109 PolarHBondContact NE1-SD 2.86Å; W104-M109 PolarHBondContact O-N 3.45Å; S107-M109 VanDerWaalsContact C-N 3.3Å; S107-M109 PolarHBondContact O-N 2.87Å
110G81.9Confident91.2Very high13 Ų1361 Ų6113%0.13431%0.314CS..THydrogen-bonded Turntrans82.410.917500000115.2L80 S107 E108L80-G110 WeakPolarHBondContact CD2-O 3.25Å; S107-G110 PolarHBondContact O-N 3.47Å; S107-G110 VanDerWaalsContact O-N 3.12Å; S107-G110 PolarHBondContact OG-N 3.01Å; E108-G110 PolarHBondContact O-N 2.91Å
111K85.7Confident91.1Very high165 Ų16561.6 Ų61.672%0.71732%0.318SS*.THydrogen-bonded Turntrans-74.6-36.5172.2-67178.1-177.7-179.90111.6S107 E108S107-K111 PolarHBondContact O-N 3.41Å; S107-K111 VanDerWaalsContact O-N 3.11Å; E108-K111 HydrophobicContact CB-CB 4.31Å; E108-K111 WeakPolarHBondContact O-CG 3.33Å
112N86.6Confident90.7Very high81 Ų8162.2 Ų62.243%0.43332%0.322SS..SBendtrans-106.5112.7-173.3-6228.3000108.9S107S107-N112 WeakPolarHBondContact CB-O 3.47Å; S107-N112 PolarHBondContact O-N 3.39Å
113G87.4Confident90.5Very high37 Ų3762.5 Ų62.538%0.38133%0.325SS..  trans-169.6166.6178.600000112.8L80 Y81L80-G113 VanDerWaalsContact CD1-C 3.41Å; L80-G113 WeakPolarHBondContact CD1-O 3.11Å; Y81-G113 CarbonylContact O-C 3.58Å; Y81-G113 VanDerWaalsContact O-CA 3.24Å; Y81-G113 WeakPolarHBondContact O-CA 3.48Å
114T91.3Very high90.3Very high62 Ų6262.4 Ų62.438%0.3833%0.325SS..EExtended strand (participates in β ladder)trans-103124.9179-570000110.4Y81 M116Y81-T114 PolarHBondContact N-O 2.88Å; Y81-T114 PolarHBondContact O-N 3.26Å; T114-M116 HydrophobicContact CG2-CE 3.85Å; T114-M116 HydrophobicContact CG2-CG 4.15Å; T114-M116 PolarHBondContact O-N 3.46Å
115K92.4Very high90.3Very high106 Ų10659.9 Ų59.946%0.46132%0.315SS..EExtended strand (participates in β ladder)trans-69.1120175.6-66.9-179.2-177.9173.70109.9L80 V130L80-K115 HydrophobicContact CD1-CG 3.94Å; K115-V130 HydrophobicContact CB-CB 4.44Å; K115-V130 HydrophobicContact CB-CG2 4.07Å; K115-V130 PolarHBondContact O-N 3.15Å
116M93.2Very high90.3Very high9 Ų963 Ų634%0.04431%0.312CS..EExtended strand (participates in β ladder)trans-132.6150.7-179-66.3-174.3172.900110.7V79 Y81 T114 M127 V128V79-M116 PolarHBondContact N-O 3.11Å; V79-M116 PolarHBondContact O-N 3.35Å; Y81-M116 HydrophobicContact CD1-CE 4.18Å; Y81-M116 HydrophobicContact CD1-SD 4.34Å; Y81-M116 HydrophobicContact CG-CE 4.45Å; Y81-M116 HydrophobicContact CG-SD 4.02Å; T114-M116 HydrophobicContact CG2-CE 3.85Å; T114-M116 HydrophobicContact CG2-CG 4.15Å; T114-M116 PolarHBondContact O-N 3.46Å; M116-M127 HydrophobicContact CB-CE 3.62Å; M116-M127 HydrophobicContact CG-CE 4.23Å; M116-M127 HydrophobicContact SD-CB 4.26Å; M116-M127 HydrophobicContact SD-CE 3.61Å; M116-V128 CarbonylContact C-O 3.45Å; M116-V128 VanDerWaalsContact CA-O 3.29Å; M116-V128 WeakPolarHBondContact CA-O 3.34Å
117R92.9Very high90.3Very high106 Ų10655.6 Ų55.640%0.428%0.28SS..EExtended strand (participates in β ladder)trans-91.3117.7165.6-65.1-171.5-66.3171-2.1108.6T76 M127 V128 V130T76-R117 HydrophobicContact CG2-CB 4.06Å; R117-M127 WeakPolarHBondContact O-CA 3.21Å; R117-V128 PolarHBondContact N-O 2.9Å; R117-V128 PolarHBondContact O-N 3.35Å; R117-V130 HydrophobicContact CG-CG2 3.88Å
118L94.8Very high90.4Very high0 Ų057.2 Ų57.20%029%0.29CS..EExtended strand (participates in β ladder)trans-100.7116.5175.6-173.2159.3000108.8T76 Y77 V79 V120 I125 R126 M127 W161 V179 M190T76-L118 WeakPolarHBondContact CA-O 3.31Å; Y77-L118 PolarHBondContact N-O 3.34Å; Y77-L118 PolarHBondContact O-N 3.35Å; V79-L118 HydrophobicContact CG1-CB 4.28Å; V79-L118 HydrophobicContact CG2-CB 3.75Å; V79-L118 HydrophobicContact CG2-CD1 4.35Å; L118-V120 HydrophobicContact CD2-CG2 3.62Å; L118-I125 HydrophobicContact CD1-CG2 3.92Å; L118-I125 HydrophobicContact CD2-CG2 3.86Å; L118-I125 HydrophobicContact CG-CG2 3.6Å; L118-R126 WeakPolarHBondContact CA-O 3.39Å; L118-M127 HydrophobicContact CB-CE 4.29Å; L118-M127 HydrophobicContact CB-SD 3.46Å; L118-M127 WeakPolarHBondContact CB-SD 3.45Å; L118-M127 HydrophobicContact CD1-CE 4.35Å; L118-M127 HydrophobicContact CD1-SD 3.48Å; L118-M127 WeakPolarHBondContact CD1-SD 3.49Å; L118-M127 HydrophobicContact CG-SD 3.38Å; L118-M127 WeakPolarHBondContact CG-SD 3.47Å; L118-W161 HydrophobicContact CD1-CH2 4.28Å; L118-W161 HydrophobicContact CD1-CZ3 4.17Å; L118-V179 HydrophobicContact CD1-CG1 4.45Å; L118-V179 HydrophobicContact CD1-CG2 4.26Å; L118-M190 HydrophobicContact CB-CE 4.33Å; L118-M190 HydrophobicContact CD1-CE 3.54Å; L118-M190 HydrophobicContact CD2-CE 3.4Å; L118-M190 VanDerWaalsContact CD2-CE 3.4Å; L118-M190 HydrophobicContact CG-CE 3.92Å
119T93.7Very high90.5Very high21 Ų2153.2 Ų53.213%0.12927%0.271CS..EExtended strand (participates in β ladder)trans-110.1126.6174.6-54.10000109.1D74 T76 R126D74-T119 HydrophobicContact CB-CG2 3.53Å; T76-T119 WeakPolarHBondContact CG2-OG1 3.44Å; T76-T119 WeakPolarHBondContact OG1-CG2 3.45Å; T76-T119 PolarHBondContact OG1-OG1 3.16Å; T119-R126 PolarHBondContact N-O 3.27Å; T119-R126 PolarHBondContact O-N 3.26Å
120V93.3Very high90.6Very high3 Ų350 Ų502%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-93.8117.8174.3-177.40000108P75 L118 L193 L194P75-V120 PolarHBondContact O-N 3Å; L118-V120 HydrophobicContact CD2-CG2 3.62Å; V120-L193 HydrophobicContact CB-CD2 3.74Å; V120-L193 HydrophobicContact CB-CG 4.36Å; V120-L193 HydrophobicContact CG1-CD2 3.94Å; V120-L193 HydrophobicContact CG1-CG 4Å; V120-L193 HydrophobicContact CG2-CD2 4.13Å; V120-L194 HydrophobicContact CG1-CB 4.39Å; V120-L194 HydrophobicContact CG1-CD1 4.01Å
121S90.8Very high90.6Very high13 Ų1354.6 Ų54.69%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-126.4167.1-176.9-170.80000110.6D74 Q123 G124D74-S121 WeakPolarHBondContact OD2-CB 3.41Å; D74-S121 PolarHBondContact OD2-OG 3.33Å; S121-Q123 PolarHBondContact O-N 3.43Å; S121-G124 PolarHBondContact N-O 3.47Å; S121-G124 PolarHBondContact O-N 2.75Å
122S87.2Confident89.7Confident75 Ų7553.6 Ų53.652%0.52428%0.282SS..THydrogen-bonded Turntrans-58.9-25.7173.6590000113.4L143S122-L143 WeakPolarHBondContact O-CD2 3.42Å
123Q88.5Confident88.6Confident124 Ų12459.5 Ų59.558%0.57930%0.304SS*.THydrogen-bonded Turntrans-78.4-22.1175.4-63.1-63.2-37.600113S121 L143S121-Q123 PolarHBondContact O-N 3.43Å; Q123-L143 PolarHBondContact O-N 3.14Å
124G91.3Very high87.4Confident1 Ų159.6 Ų59.61%0.0130%0.301CS..EExtended strand (participates in β ladder)trans135.3-149.3-175.500000113.2S121 Y141S121-G124 PolarHBondContact N-O 3.47Å; S121-G124 PolarHBondContact O-N 2.75Å; G124-Y141 CarbonylContact C-O 3.19Å; G124-Y141 VanDerWaalsContact CA-O 3.3Å; G124-Y141 WeakPolarHBondContact CA-O 3.47Å
125I94.8Very high85.8Confident0 Ų066.8 Ų66.80%033%0.327CS..EExtended strand (participates in β ladder)trans-99.8122.4-177.9-54.6172.8000109.5L118 M127 Y141 I146 W161 L194L118-I125 HydrophobicContact CD1-CG2 3.92Å; L118-I125 HydrophobicContact CD2-CG2 3.86Å; L118-I125 HydrophobicContact CG-CG2 3.6Å; I125-M127 HydrophobicContact CG2-CG 4.25Å; I125-M127 HydrophobicContact CG2-SD 4.1Å; I125-Y141 HydrophobicContact CB-CD2 4.4Å; I125-Y141 PolarHBondContact N-O 3.42Å; I125-Y141 PolarHBondContact O-N 3.22Å; I125-I146 HydrophobicContact CD1-CD1 3.78Å; I125-I146 HydrophobicContact CG1-CD1 3.88Å; I125-W161 HydrophobicContact CD1-CD2 3.83Å; I125-W161 HydrophobicContact CD1-CE3 4.29Å; I125-W161 HydrophobicContact CD1-CG 4.02Å; I125-W161 HydrophobicContact CD1-CZ2 4.42Å; I125-L194 HydrophobicContact CD1-CD1 4.26Å; I125-L194 HydrophobicContact CD1-CD2 3.78Å; I125-L194 HydrophobicContact CG1-CD1 3.85Å; I125-L194 HydrophobicContact CG1-CD2 4.3Å
126R93.4Very high84.6Confident114 Ų11470.5 Ų70.543%0.4334%0.338SS..EExtended strand (participates in β ladder)trans-103.1122.2172-172.1-174.4-59.2-78.7-2.4109.6L118 T119 V128 L140L118-R126 WeakPolarHBondContact CA-O 3.39Å; T119-R126 PolarHBondContact N-O 3.27Å; T119-R126 PolarHBondContact O-N 3.26Å; R126-V128 HydrophobicContact CG-CG2 3.93Å; R126-L140 HydrophobicContact CB-CD1 4.23Å
127M93.1Very high83.7Confident2 Ų275.1 Ų75.11%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-108.3114.4175.6-64.1-62.6-71.500109.2V79 Y81 M116 R117 L118 I125 G138 H139 Y141 W161 V179V79-M127 HydrophobicContact CG2-CE 3.92Å; Y81-M127 HydrophobicContact CD2-CE 4.48Å; M116-M127 HydrophobicContact CB-CE 3.62Å; M116-M127 HydrophobicContact CG-CE 4.23Å; M116-M127 HydrophobicContact SD-CB 4.26Å; M116-M127 HydrophobicContact SD-CE 3.61Å; R117-M127 WeakPolarHBondContact O-CA 3.21Å; L118-M127 HydrophobicContact CB-CE 4.29Å; L118-M127 HydrophobicContact CB-SD 3.46Å; L118-M127 WeakPolarHBondContact CB-SD 3.45Å; L118-M127 HydrophobicContact CD1-CE 4.35Å; L118-M127 HydrophobicContact CD1-SD 3.48Å; L118-M127 WeakPolarHBondContact CD1-SD 3.49Å; L118-M127 HydrophobicContact CG-SD 3.38Å; L118-M127 WeakPolarHBondContact CG-SD 3.47Å; I125-M127 HydrophobicContact CG2-CG 4.25Å; I125-M127 HydrophobicContact CG2-SD 4.1Å; M127-G138 CarbonylContact O-C 3.29Å; M127-G138 VanDerWaalsContact O-C 3.29Å; M127-G138 WeakPolarHBondContact O-CA 3.33Å; M127-H139 HydrophobicContact CB-CB 4.24Å; M127-H139 PolarHBondContact N-O 3.24Å; M127-H139 PolarHBondContact O-N 3.35Å; M127-Y141 HydrophobicContact CG-CD2 4.21Å; M127-Y141 HydrophobicContact CG-CE2 3.85Å; M127-W161 HydrophobicContact SD-CH2 4.46Å; M127-V179 HydrophobicContact CE-CG1 4.07Å
128V92.3Very high83.2Confident36 Ų3672 Ų7222%0.21837%0.37CS..EExtended strand (participates in β ladder)trans-116.6143.2176.8-172.30000108.6M116 R117 R126M116-V128 CarbonylContact C-O 3.45Å; M116-V128 VanDerWaalsContact CA-O 3.29Å; M116-V128 WeakPolarHBondContact CA-O 3.34Å; R117-V128 PolarHBondContact N-O 2.9Å; R117-V128 PolarHBondContact O-N 3.35Å; R126-V128 HydrophobicContact CG-CG2 3.93Å
129H91.1Very high82.9Confident26 Ų2676.1 Ų76.112%0.1239%0.389CS..EExtended strand (participates in β ladder)trans-61.7143.6171.6-75-90.1000110.3D131 A134H129-D131 VanDerWaalsContact C-N 3.28Å; H129-A134 HydrophobicContact CB-CB 3.98Å
130V86.9Confident82.9Confident56 Ų5678.7 Ų78.734%0.33940%0.401SS..SBendtrans-67.2-39.2173.1176.60000109.5T78 K115 R117 D132T78-V130 HydrophobicContact CG2-CG2 4.03Å; K115-V130 HydrophobicContact CB-CB 4.44Å; K115-V130 HydrophobicContact CB-CG2 4.07Å; K115-V130 PolarHBondContact O-N 3.15Å; R117-V130 HydrophobicContact CG-CG2 3.88Å; V130-D132 PolarHBondContact O-N 3.04Å
131D82.7Confident82.9Confident109 Ų10979.3 Ų79.358%0.58340%0.404SS*.SBendtrans-87.4106.2176.8-57.3-46.9000110H129 K133 A134H129-D131 VanDerWaalsContact C-N 3.28Å; D131-K133 PolarHBondContact O-N 2.88Å; D131-A134 WeakPolarHBondContact O-CB 3.21Å; D131-A134 PolarHBondContact O-N 2.85Å
132D66.2Low83Confident144 Ų14481.5 Ų81.577%0.7741%0.414SS*.THydrogen-bonded Turntrans-63.9-9.1178.7-127.910.7000113.1V130 A134V130-D132 PolarHBondContact O-N 3.04Å; D132-A134 VanDerWaalsContact C-N 3.26Å
133K63.6Low83.2Confident205 Ų20578.7 Ų78.789%0.89139%0.393SS*.THydrogen-bonded Turntrans-76.1-14.1173.9-53.1-172.3-167.1-171.60112.6D131 K135D131-K133 PolarHBondContact O-N 2.88Å; K133-K135 PolarHBondContact O-N 3.36Å
134A62.3Low83.2Confident39 Ų3979.6 Ų79.632%0.32240%0.397SS..  trans-72.7112.6176.400000109.4H129 D131 D132 R136H129-A134 HydrophobicContact CB-CB 3.98Å; D131-A134 WeakPolarHBondContact O-CB 3.21Å; D131-A134 PolarHBondContact O-N 2.85Å; D132-A134 VanDerWaalsContact C-N 3.26Å; A134-R136 PolarHBondContact O-N 3.15Å
135K57.7Low83.2Confident214 Ų21482.4 Ų82.493%0.9341%0.407SS*.  trans-62.19.6-178.8-145.9177.8-174.9-178.90115K133K133-K135 PolarHBondContact O-N 3.36Å
136R68.1Low83.1Confident183 Ų18382.7 Ų82.769%0.69141%0.409SS*.SBendtrans-99.8126.8-176.8-72.2-166.7172.985.22110.2A134A134-R136 PolarHBondContact O-N 3.15Å
137P73.8Confident83Confident106 Ų10677.7 Ų77.769%0.68839%0.391SS*.PPolyproline II helixtrans-62143.6174.927.4-33.6000109.9
138G80.9Confident83Confident41 Ų4177.8 Ų77.842%0.42339%0.391SS..PPolyproline II helixtrans-57.7144.6175.100000111.9M127M127-G138 CarbonylContact O-C 3.29Å; M127-G138 VanDerWaalsContact O-C 3.29Å; M127-G138 WeakPolarHBondContact O-CA 3.33Å
139H89.9Confident83Confident87 Ų8776.1 Ų76.140%0.40338%0.381SS..EExtended strand (participates in β ladder)trans-86.1132.7177.8-59.8-56.5000110.5M127 Y141M127-H139 HydrophobicContact CB-CB 4.24Å; M127-H139 PolarHBondContact N-O 3.24Å; M127-H139 PolarHBondContact O-N 3.35Å; H139-Y141 HydrophobicContact CB-CE2 4.04Å
140L93Very high83.2Confident74 Ų7475.1 Ų75.139%0.38738%0.377SS..EExtended strand (participates in β ladder)trans-112.2120.1174.2-177.766.6000109.3R126R126-L140 HydrophobicContact CB-CD1 4.23Å
141Y93.8Very high83.6Confident16 Ų1672.6 Ų72.66%0.06336%0.362CS..EExtended strand (participates in β ladder)trans-102.2111.8172.6-61-82.5000108.5G124 I125 M127 H139 W161 Y163 H177G124-Y141 CarbonylContact C-O 3.19Å; G124-Y141 VanDerWaalsContact CA-O 3.3Å; G124-Y141 WeakPolarHBondContact CA-O 3.47Å; I125-Y141 HydrophobicContact CB-CD2 4.4Å; I125-Y141 PolarHBondContact N-O 3.42Å; I125-Y141 PolarHBondContact O-N 3.22Å; M127-Y141 HydrophobicContact CG-CD2 4.21Å; M127-Y141 HydrophobicContact CG-CE2 3.85Å; H139-Y141 HydrophobicContact CB-CE2 4.04Å; Y141-W161 HydrophobicContact CD2-CZ2 4.01Å; Y141-W161 AromaticContact CE2-CZ2 3.84Å; Y141-W161 HydrophobicContact CE2-CZ2 3.84Å; Y141-W161 AromaticContact CG-NE1 3.99Å; Y141-Y163 AromaticContact CD1-CD1 3.93Å; Y141-Y163 HydrophobicContact CD1-CD1 3.93Å; Y141-Y163 AromaticContact CD1-CD2 3.62Å; Y141-Y163 HydrophobicContact CD1-CD2 3.62Å; Y141-Y163 HydrophobicContact CD1-CE1 4.13Å; Y141-Y163 AromaticContact CD1-CE2 3.82Å; Y141-Y163 HydrophobicContact CD1-CE2 3.82Å; Y141-Y163 AromaticContact CD1-CG 3.64Å; Y141-Y163 HydrophobicContact CD1-CG 3.64Å; Y141-Y163 HydrophobicContact CE1-CD1 4.31Å; Y141-Y163 HydrophobicContact CE1-CG 4.27Å; Y141-Y163 HydrophobicContact CG-CD2 4.25Å; Y141-Y163 HydrophobicContact CG-CE2 4.33Å; Y141-H177 AromaticContact CE1-CD2 3.98Å; Y141-H177 AromaticContact CE1-CE1 3.74Å; Y141-H177 AromaticContact CE1-NE2 3.55Å; Y141-H177 AromaticContact CZ-CE1 3.83Å; Y141-H177 PolarHBondContact OH-CE1 3.09Å; Y141-H177 VanDerWaalsContact OH-CE1 3.24Å; Y141-H177 PolarHBondContact OH-ND1 2.86Å
142L92.7Very high84Confident59 Ų5967.7 Ų67.731%0.30934%0.335SS..EExtended strand (participates in β ladder)trans-71.3138.1-177.5-69.484000110.9H144 R145 I146L142-H144 VanDerWaalsContact C-N 3.32Å; L142-H144 WeakPolarHBondContact CD2-CE1 3.44Å; L142-H144 PolarHBondContact O-N 3.2Å; L142-R145 PolarHBondContact O-N 2.85Å; L142-I146 PolarHBondContact O-N 3.21Å
143L91Very high85.1Confident17 Ų1765.8 Ų65.89%0.08933%0.331CS..G310 helixtrans-58.5-41.7-173.9-163.656.3000112.7S122 Q123 R145 I146 L194 T197 A201S122-L143 WeakPolarHBondContact O-CD2 3.42Å; Q123-L143 PolarHBondContact O-N 3.14Å; L143-R145 PolarHBondContact O-N 3.03Å; L143-R145 VanDerWaalsContact O-N 3.14Å; L143-I146 HydrophobicContact CD1-CD1 4.48Å; L143-I146 PolarHBondContact O-N 2.98Å; L143-I146 VanDerWaalsContact O-N 3.1Å; L143-L194 HydrophobicContact CD1-CD1 3.71Å; L143-T197 HydrophobicContact CD2-CG2 4.25Å; L143-A201 HydrophobicContact CD2-CB 3.72Å
144H88.6Confident86.3Confident143 Ų14364 Ų6466%0.66232%0.319SS*.G310 helixtrans-67.8-11.1179.768.9-97000114.3L142L142-H144 VanDerWaalsContact C-N 3.32Å; L142-H144 WeakPolarHBondContact CD2-CE1 3.44Å; L142-H144 PolarHBondContact O-N 3.2Å
145R91.3Very high87.7Confident60 Ų6064.3 Ų64.323%0.22632%0.315CS..G310 helixtrans-101.9-8.1175.9-64.2-174.8-179.3-150.4-1.3112.7L142 L143 Y163 R164 E166L142-R145 PolarHBondContact O-N 2.85Å; L143-R145 PolarHBondContact O-N 3.03Å; L143-R145 VanDerWaalsContact O-N 3.14Å; R145-Y163 HydrophobicContact CB-CD2 3.97Å; R145-Y163 HydrophobicContact CB-CE2 3.4Å; R145-Y163 VanDerWaalsContact CB-CE2 3.4Å; R145-Y163 VanDerWaalsContact CD-OH 3.31Å; R145-Y163 WeakPolarHBondContact CD-OH 3.4Å; R145-Y163 HydrophobicContact CG-CE2 4.42Å; R145-R164 HydrophobicContact CB-CB 4.36Å; R145-R164 WeakPolarHBondContact O-CB 3.4Å; R145-R164 PolarHBondContact O-N 3.46Å; R145-E166 VanDerWaalsContact CZ-CD 3.43Å; R145-E166 IonicContact CZ-OE1 2.7Å; R145-E166 VanDerWaalsContact CZ-OE1 3.31Å; R145-E166 IonicContact CZ-OE2 3.26Å; R145-E166 IonicContact NH1-OE1 3.2Å; R145-E166 IonicContact NH1-OE2 3.37Å; R145-E166 PolarHBondContact NH1-OE2 2.98Å; R145-E166 IonicContact NH2-OE1 2.73Å; R145-E166 PolarHBondContact NH2-OE1 3.15Å; R145-E166 IonicContact NH2-OE2 3.19Å; R145-E166 PolarHBondContact NH2-OE2 2.68Å
146I92.6Very high89.3Confident6 Ų657 Ų573%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-84.7122.4174.6-57.8170000107.6I125 L142 L143 W161 I162 Y163 L194 M301I125-I146 HydrophobicContact CD1-CD1 3.78Å; I125-I146 HydrophobicContact CG1-CD1 3.88Å; L142-I146 PolarHBondContact O-N 3.21Å; L143-I146 HydrophobicContact CD1-CD1 4.48Å; L143-I146 PolarHBondContact O-N 2.98Å; L143-I146 VanDerWaalsContact O-N 3.1Å; I146-W161 HydrophobicContact CG2-CB 4.23Å; I146-I162 WeakPolarHBondContact CA-O 3.42Å; I146-Y163 HydrophobicContact CG1-CD2 3.92Å; I146-Y163 HydrophobicContact CG1-CE2 4.47Å; I146-L194 HydrophobicContact CD1-CD1 4.42Å; I146-L194 HydrophobicContact CG2-CD2 4.49Å; I146-M301 HydrophobicContact CB-SD 4.07Å; I146-M301 HydrophobicContact CG2-CG 4.42Å; I146-M301 HydrophobicContact CG2-SD 3.51Å; I146-M301 VanDerWaalsContact CG2-SD 3.51Å
147T91.5Very high90.5Very high9 Ų953.4 Ų53.46%0.05528%0.279CS..EExtended strand (participates in β ladder)trans-101.7-32.8-172.946.10000112.5S90 I162 S302S90-T147 WeakPolarHBondContact O-CB 3.37Å; S90-T147 PolarHBondContact O-OG1 3.47Å; T147-I162 PolarHBondContact N-O 3.11Å; T147-I162 WeakPolarHBondContact OG1-CG2 3.48Å; T147-I162 PolarHBondContact OG1-O 2.96Å; T147-S302 PolarHBondContact O-N 3.39Å; T147-S302 PolarHBondContact O-OG 3.44Å; T147-S302 VanDerWaalsContact O-OG 3.09Å
148Y92.6Very high91.5Very high4 Ų448.4 Ų48.42%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-147.3143.6-176.2-177.1-108.9000111.3S90 G92 C95 T96 V150 W161 I162 S302 G304S90-Y148 WeakPolarHBondContact O-CB 3.42Å; G92-Y148 PolarHBondContact O-OH 2.77Å; C95-Y148 WeakPolarHBondContact SG-CD1 3.39Å; C95-Y148 WeakPolarHBondContact SG-CE1 3.31Å; T96-Y148 HydrophobicContact CG2-CD1 3.6Å; T96-Y148 HydrophobicContact CG2-CE1 3.56Å; Y148-V150 HydrophobicContact CD1-CB 4.45Å; Y148-V150 HydrophobicContact CD1-CG1 4.33Å; Y148-V150 HydrophobicContact CE1-CB 3.69Å; Y148-V150 HydrophobicContact CE1-CG1 3.71Å; Y148-V150 HydrophobicContact CE1-CG2 4.45Å; Y148-W161 CarbonylContact O-C 3.6Å; Y148-W161 VanDerWaalsContact O-CA 3.24Å; Y148-W161 WeakPolarHBondContact O-CA 3.36Å; Y148-W161 WeakPolarHBondContact O-CB 3.47Å; Y148-I162 HydrophobicContact CD1-CD1 3.97Å; Y148-I162 HydrophobicContact CD1-CG1 4.26Å; Y148-I162 HydrophobicContact CG-CD1 4.36Å; Y148-I162 PolarHBondContact O-N 3.19Å; Y148-S302 VanDerWaalsContact CA-O 3.3Å; Y148-S302 WeakPolarHBondContact CA-O 3.46Å; Y148-S302 WeakPolarHBondContact CD2-O 3.41Å; Y148-S302 WeakPolarHBondContact CD2-OG 3.4Å; Y148-G304 VanDerWaalsContact CE2-CA 3.49Å; Y148-G304 VanDerWaalsContact CZ-CA 3.41Å; Y148-G304 WeakPolarHBondContact OH-CA 3.27Å
149C93.6Very high92.3Very high0 Ų046.5 Ų46.50%023%0.226CC..EExtended strand (participates in β ladder)trans-135.1145.6172.368.80000110.9F159 W161 L194 M301 S302 I303 G304C149-F159 HydrophobicContact CB-CE2 4.35Å; C149-F159 HydrophobicContact CB-CZ 4.47Å; C149-W161 HydrophobicContact CB-CB 4.49Å; C149-L194 HydrophobicContact CB-CD2 3.84Å; C149-M301 HydrophobicContact CB-CE 4.46Å; C149-M301 HydrophobicContact CB-SD 4.39Å; C149-S302 PolarHBondContact N-O 2.88Å; C149-S302 VanDerWaalsContact N-O 3.08Å; C149-I303 WeakPolarHBondContact O-CA 3.47Å; C149-G304 PolarHBondContact O-N 3.03Å
150V94.5Very high92.5Very high5 Ų542.4 Ų42.43%0.0321%0.207CC..EExtended strand (participates in β ladder)trans-156142-177.265.70000111.3T96 Y148 F159 A160 N305T96-V150 HydrophobicContact CG2-CG1 3.88Å; T96-V150 WeakPolarHBondContact OG1-CG1 3.23Å; Y148-V150 HydrophobicContact CD1-CB 4.45Å; Y148-V150 HydrophobicContact CD1-CG1 4.33Å; Y148-V150 HydrophobicContact CE1-CB 3.69Å; Y148-V150 HydrophobicContact CE1-CG1 3.71Å; Y148-V150 HydrophobicContact CE1-CG2 4.45Å; V150-F159 WeakPolarHBondContact O-CD2 3.47Å; V150-A160 HydrophobicContact CG1-CB 4.04Å; V150-A160 PolarHBondContact N-O 3.19Å; V150-A160 PolarHBondContact O-N 2.83Å; V150-N305 WeakPolarHBondContact CA-OD1 3.48Å; V150-N305 WeakPolarHBondContact CG2-OD1 3.4Å
151A94.7Very high92.6Very high3 Ų338.9 Ų38.93%0.02519%0.189CC..EExtended strand (participates in β ladder)trans-96114.2158.700000107.5A187 K188 A191 N305A151-A187 HydrophobicContact CB-CB 4.3Å; A151-K188 HydrophobicContact CB-CG 4.06Å; A151-A191 HydrophobicContact CB-CB 4.31Å; A151-N305 PolarHBondContact N-OD1 2.8Å; A151-N305 PolarHBondContact O-ND2 2.88Å
152D92.1Very high92.7Very high6 Ų638.1 Ų38.13%0.03219%0.186CC..  trans-61.2123.3-170.7-176.8-16.6000110.4V100 R154 L155 P156 I158V100-D152 WeakPolarHBondContact CG1-OD2 3.26Å; D152-R154 VanDerWaalsContact C-N 3.3Å; D152-R154 PolarHBondContact O-N 3.07Å; D152-R154 WeakPolarHBondContact OD1-CB 3.46Å; D152-R154 PolarHBondContact OD1-N 3.06Å; D152-L155 HydrophobicContact CB-CB 4.34Å; D152-L155 CarbonylContact O-C 3.54Å; D152-L155 PolarHBondContact OD1-N 3.1Å; D152-P156 VanDerWaalsContact O-CA 3.28Å; D152-P156 WeakPolarHBondContact O-CA 3.32Å; D152-I158 HydrophobicContact CB-CB 4.4Å; D152-I158 PolarHBondContact N-O 2.86Å
153P88.6Confident92.8Very high105 Ų10536 Ų3668%0.68217%0.174SC*.SBendtrans-67.6-28.5178.727.1-34.2000113.1
154R89.4Confident92.8Very high166 Ų16639.1 Ų39.163%0.62618%0.184SC*.SBendtrans-78-39.1178.4-57.3-178.6-176152.313.7111D97 D152 P156D97-R154 IonicContact OD2-CZ 3.4Å; D97-R154 IonicContact OD2-NH1 3.76Å; D97-R154 PolarHBondContact OD2-NH1 2.96Å; D97-R154 IonicContact OD2-NH2 2.98Å; D97-R154 PolarHBondContact OD2-NH2 3.36Å; D152-R154 VanDerWaalsContact C-N 3.3Å; D152-R154 PolarHBondContact O-N 3.07Å; D152-R154 WeakPolarHBondContact OD1-CB 3.46Å; D152-R154 PolarHBondContact OD1-N 3.06Å; R154-P156 WeakPolarHBondContact O-CD 3.26Å
155L91.1Very high92.9Very high47 Ų4734.5 Ų34.525%0.24616%0.163CC..SBendtrans-119.680.8-179.9-63.2173.4000109.2V100 W104 D152 K157 I158V100-L155 HydrophobicContact CG1-CD1 4.4Å; W104-L155 HydrophobicContact CB-CD1 4.36Å; W104-L155 HydrophobicContact CD2-CD1 4.03Å; W104-L155 HydrophobicContact CG-CD1 3.86Å; D152-L155 HydrophobicContact CB-CB 4.34Å; D152-L155 CarbonylContact O-C 3.54Å; D152-L155 PolarHBondContact OD1-N 3.1Å; L155-K157 PolarHBondContact O-N 3.12Å; L155-I158 HydrophobicContact CB-CB 4.24Å; L155-I158 HydrophobicContact CB-CD1 3.68Å; L155-I158 HydrophobicContact CB-CG1 3.91Å; L155-I158 HydrophobicContact CD1-CD1 3.48Å; L155-I158 VanDerWaalsContact CD1-CD1 3.48Å; L155-I158 HydrophobicContact CG-CD1 4.18Å; L155-I158 WeakPolarHBondContact O-CB 3.33Å; L155-I158 PolarHBondContact O-N 3.34Å
156P91Very high92.8Very high60 Ų6037.5 Ų37.539%0.3918%0.179SC..THydrogen-bonded Turntrans-67-12.3-165.228.9-38.5000114.3D152 R154 P184D152-P156 VanDerWaalsContact O-CA 3.28Å; D152-P156 WeakPolarHBondContact O-CA 3.32Å; R154-P156 WeakPolarHBondContact O-CD 3.26Å; P156-P184 HydrophobicContact CB-CB 3.74Å; P156-P184 HydrophobicContact CG-CB 4.37Å; P156-P184 WeakPolarHBondContact O-CA 3.3Å; P156-P184 WeakPolarHBondContact O-CB 3.34Å
157K94.2Very high92.5Very high108 Ų10841.6 Ų41.647%0.4720%0.2SC..THydrogen-bonded Turntrans-86.8-9.6174.6-67.3-177.5-178.7178.20113.4L155 L180 V181L155-K157 PolarHBondContact O-N 3.12Å; K157-L180 HydrophobicContact CB-CD1 3.63Å; K157-V181 PolarHBondContact O-N 3.31Å
158I95.3Very high92Very high1 Ų149.8 Ų49.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-93.3128.5-179-61.9-175.8000109.5L82 V100 W104 D152 L155 A178 V179 L180L82-I158 HydrophobicContact CD1-CD1 4.24Å; V100-I158 HydrophobicContact CG1-CD1 4.05Å; V100-I158 HydrophobicContact CG1-CG2 4.08Å; W104-I158 HydrophobicContact CD2-CD1 4.14Å; W104-I158 HydrophobicContact CE3-CD1 3.61Å; W104-I158 HydrophobicContact CZ3-CD1 4.02Å; D152-I158 HydrophobicContact CB-CB 4.4Å; D152-I158 PolarHBondContact N-O 2.86Å; L155-I158 HydrophobicContact CB-CB 4.24Å; L155-I158 HydrophobicContact CB-CD1 3.68Å; L155-I158 HydrophobicContact CB-CG1 3.91Å; L155-I158 HydrophobicContact CD1-CD1 3.48Å; L155-I158 VanDerWaalsContact CD1-CD1 3.48Å; L155-I158 HydrophobicContact CG-CD1 4.18Å; L155-I158 WeakPolarHBondContact O-CB 3.33Å; L155-I158 PolarHBondContact O-N 3.34Å; I158-A178 HydrophobicContact CG2-CB 4.1Å; I158-V179 WeakPolarHBondContact CA-O 3.32Å; I158-L180 HydrophobicContact CG1-CD1 4.16Å
159F96.1Very high91.6Very high1 Ų158.5 Ų58.50%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-108.8129.1166.4173.2-113.7000108.6C149 V150 W161 V179 V181 A187 M190 A191 L194C149-F159 HydrophobicContact CB-CE2 4.35Å; C149-F159 HydrophobicContact CB-CZ 4.47Å; V150-F159 WeakPolarHBondContact O-CD2 3.47Å; F159-W161 AromaticContact CD1-CE3 3.98Å; F159-W161 HydrophobicContact CD1-CE3 3.98Å; F159-W161 HydrophobicContact CD1-CZ3 4.13Å; F159-W161 AromaticContact CE1-CE3 3.7Å; F159-W161 HydrophobicContact CE1-CE3 3.7Å; F159-W161 HydrophobicContact CE1-CZ3 4.13Å; F159-W161 HydrophobicContact CZ-CE3 4.47Å; F159-V179 HydrophobicContact CB-CG2 3.82Å; F159-V179 HydrophobicContact CD1-CG2 3.77Å; F159-V179 HydrophobicContact CG-CG2 4.29Å; F159-V179 PolarHBondContact N-O 3.31Å; F159-V179 WeakPolarHBondContact O-CG2 3.36Å; F159-V179 PolarHBondContact O-N 2.8Å; F159-V181 HydrophobicContact CB-CG2 4.43Å; F159-A187 HydrophobicContact CB-CB 4.12Å; F159-M190 HydrophobicContact CD1-CB 4.41Å; F159-M190 HydrophobicContact CD1-CE 3.88Å; F159-M190 HydrophobicContact CD2-CB 4.42Å; F159-M190 HydrophobicContact CE1-CB 4.48Å; F159-M190 HydrophobicContact CE1-CE 4.26Å; F159-M190 HydrophobicContact CG-CB 4.37Å; F159-A191 HydrophobicContact CD2-CB 3.98Å; F159-A191 VanDerWaalsContact CE2-CA 3.47Å; F159-A191 HydrophobicContact CE2-CB 3.65Å; F159-L194 HydrophobicContact CZ-CD2 3.95Å
160A95.7Very high90.9Very high0 Ų068.2 Ų68.20%032%0.317CS..EExtended strand (participates in β ladder)trans-130.4148.1-177.900000111.8V100 V150 H177 A178V100-A160 HydrophobicContact CG2-CB 3.77Å; V150-A160 HydrophobicContact CG1-CB 4.04Å; V150-A160 PolarHBondContact N-O 3.19Å; V150-A160 PolarHBondContact O-N 2.83Å; A160-H177 WeakPolarHBondContact CA-O 3.41Å; A160-H177 WeakPolarHBondContact CB-O 3.43Å; A160-A178 HydrophobicContact CB-CB 4.43Å
161W95.4Very high90.4Very high0 Ų070.5 Ų70.50%034%0.336CS..EExtended strand (participates in β ladder)trans-142.5152.4173.569.995.8000111L118 I125 M127 Y141 I146 Y148 C149 F159 C176 H177 V179L118-W161 HydrophobicContact CD1-CH2 4.28Å; L118-W161 HydrophobicContact CD1-CZ3 4.17Å; I125-W161 HydrophobicContact CD1-CD2 3.83Å; I125-W161 HydrophobicContact CD1-CE3 4.29Å; I125-W161 HydrophobicContact CD1-CG 4.02Å; I125-W161 HydrophobicContact CD1-CZ2 4.42Å; M127-W161 HydrophobicContact SD-CH2 4.46Å; Y141-W161 HydrophobicContact CD2-CZ2 4.01Å; Y141-W161 AromaticContact CE2-CZ2 3.84Å; Y141-W161 HydrophobicContact CE2-CZ2 3.84Å; Y141-W161 AromaticContact CG-NE1 3.99Å; I146-W161 HydrophobicContact CG2-CB 4.23Å; Y148-W161 CarbonylContact O-C 3.6Å; Y148-W161 VanDerWaalsContact O-CA 3.24Å; Y148-W161 WeakPolarHBondContact O-CA 3.36Å; Y148-W161 WeakPolarHBondContact O-CB 3.47Å; C149-W161 HydrophobicContact CB-CB 4.49Å; F159-W161 AromaticContact CD1-CE3 3.98Å; F159-W161 HydrophobicContact CD1-CE3 3.98Å; F159-W161 HydrophobicContact CD1-CZ3 4.13Å; F159-W161 AromaticContact CE1-CE3 3.7Å; F159-W161 HydrophobicContact CE1-CE3 3.7Å; F159-W161 HydrophobicContact CE1-CZ3 4.13Å; F159-W161 HydrophobicContact CZ-CE3 4.47Å; W161-C176 WeakPolarHBondContact O-CA 3.41Å; W161-H177 HydrophobicContact CD2-CB 3.84Å; W161-H177 VanDerWaalsContact CE2-CB 3.41Å; W161-H177 AromaticContact CE2-CG 3.96Å; W161-H177 HydrophobicContact CE3-CB 4.2Å; W161-H177 HydrophobicContact CG-CB 4.48Å; W161-H177 HydrophobicContact CH2-CB 3.83Å; W161-H177 HydrophobicContact CZ2-CB 3.42Å; W161-H177 VanDerWaalsContact CZ2-CB 3.42Å; W161-H177 AromaticContact CZ2-CG 3.95Å; W161-H177 HydrophobicContact CZ3-CB 4.2Å; W161-H177 PolarHBondContact N-O 3.42Å; W161-H177 AromaticContact NE1-CD2 3.78Å; W161-H177 AromaticContact NE1-CG 3.98Å; W161-H177 PolarHBondContact O-N 3.46Å; W161-V179 HydrophobicContact CH2-CG1 3.8Å; W161-V179 HydrophobicContact CZ3-CB 4.49Å; W161-V179 HydrophobicContact CZ3-CG1 3.71Å; W161-V179 HydrophobicContact CZ3-CG2 4.08Å
162I95Very high90Very high0 Ų073.7 Ų73.70%036%0.356CS..EExtended strand (participates in β ladder)trans-103.1121.3176.5-58178.4000108.9T87 C95 T96 I146 T147 Y148 L174 R175T87-I162 HydrophobicContact CG2-CD1 4.08Å; T87-I162 HydrophobicContact CG2-CG1 4.34Å; T87-I162 HydrophobicContact CG2-CG2 3.93Å; C95-I162 HydrophobicContact CB-CD1 4.46Å; T96-I162 HydrophobicContact CG2-CD1 3.86Å; T96-I162 HydrophobicContact CG2-CG1 3.89Å; I146-I162 WeakPolarHBondContact CA-O 3.42Å; T147-I162 PolarHBondContact N-O 3.11Å; T147-I162 WeakPolarHBondContact OG1-CG2 3.48Å; T147-I162 PolarHBondContact OG1-O 2.96Å; Y148-I162 HydrophobicContact CD1-CD1 3.97Å; Y148-I162 HydrophobicContact CD1-CG1 4.26Å; Y148-I162 HydrophobicContact CG-CD1 4.36Å; Y148-I162 PolarHBondContact O-N 3.19Å; I162-L174 HydrophobicContact CG2-CB 4.12Å; I162-L174 HydrophobicContact CG2-CD2 4.31Å; I162-R175 WeakPolarHBondContact CA-O 3.31Å
163Y93.6Very high89.9Confident14 Ų1475.6 Ų75.66%0.05537%0.365CS..EExtended strand (participates in β ladder)trans-109.7136177.9-170.9-102.4000111.3Y141 R145 I146 H165 R175Y141-Y163 AromaticContact CD1-CD1 3.93Å; Y141-Y163 HydrophobicContact CD1-CD1 3.93Å; Y141-Y163 AromaticContact CD1-CD2 3.62Å; Y141-Y163 HydrophobicContact CD1-CD2 3.62Å; Y141-Y163 HydrophobicContact CD1-CE1 4.13Å; Y141-Y163 AromaticContact CD1-CE2 3.82Å; Y141-Y163 HydrophobicContact CD1-CE2 3.82Å; Y141-Y163 AromaticContact CD1-CG 3.64Å; Y141-Y163 HydrophobicContact CD1-CG 3.64Å; Y141-Y163 HydrophobicContact CE1-CD1 4.31Å; Y141-Y163 HydrophobicContact CE1-CG 4.27Å; Y141-Y163 HydrophobicContact CG-CD2 4.25Å; Y141-Y163 HydrophobicContact CG-CE2 4.33Å; R145-Y163 HydrophobicContact CB-CD2 3.97Å; R145-Y163 HydrophobicContact CB-CE2 3.4Å; R145-Y163 VanDerWaalsContact CB-CE2 3.4Å; R145-Y163 VanDerWaalsContact CD-OH 3.31Å; R145-Y163 WeakPolarHBondContact CD-OH 3.4Å; R145-Y163 HydrophobicContact CG-CE2 4.42Å; I146-Y163 HydrophobicContact CG1-CD2 3.92Å; I146-Y163 HydrophobicContact CG1-CE2 4.47Å; Y163-H165 AromaticContact CD1-CD2 3.59Å; Y163-H165 AromaticContact CD1-CE1 3.61Å; Y163-H165 AromaticContact CD1-CG 3.88Å; Y163-H165 AromaticContact CD1-ND1 3.89Å; Y163-H165 AromaticContact CD1-NE2 3.46Å; Y163-H165 WeakPolarHBondContact CD1-NE2 3.37Å; Y163-H165 AromaticContact CE1-CE1 3.68Å; Y163-H165 AromaticContact CE1-ND1 3.77Å; Y163-H165 PolarHBondContact O-N 3.44Å; Y163-R175 PolarHBondContact N-O 3.4Å; Y163-R175 PolarHBondContact O-N 2.92Å
164R91.9Very high90.1Very high84 Ų8471.7 Ų71.732%0.31734%0.338SS..EExtended strand (participates in β ladder)trans-84.6107.3174.5-170.1-178.6-67.7-96.1-0.2110.2R145 V172 L174R145-R164 HydrophobicContact CB-CB 4.36Å; R145-R164 WeakPolarHBondContact O-CB 3.4Å; R145-R164 PolarHBondContact O-N 3.46Å; R164-V172 HydrophobicContact CG-CG1 3.2Å; R164-L174 HydrophobicContact CB-CD2 4.38Å; R164-L174 HydrophobicContact CG-CD2 4.41Å
165H90.5Very high90.3Very high45 Ų4567.2 Ų67.221%0.20832%0.321CS..EExtended strand (participates in β ladder)trans-90.9131.1170.3-77.9-78.4000110.8Y163 M173 H177Y163-H165 AromaticContact CD1-CD2 3.59Å; Y163-H165 AromaticContact CD1-CE1 3.61Å; Y163-H165 AromaticContact CD1-CG 3.88Å; Y163-H165 AromaticContact CD1-ND1 3.89Å; Y163-H165 AromaticContact CD1-NE2 3.46Å; Y163-H165 WeakPolarHBondContact CD1-NE2 3.37Å; Y163-H165 AromaticContact CE1-CE1 3.68Å; Y163-H165 AromaticContact CE1-ND1 3.77Å; Y163-H165 PolarHBondContact O-N 3.44Å; H165-M173 PolarHBondContact N-O 3.2Å; H165-M173 PolarHBondContact O-N 2.84Å; H165-H177 AromaticContact NE2-NE2 3.64Å
166E89.4Confident90.5Very high123 Ų12365 Ų6558%0.57531%0.309SS*.EExtended strand (participates in β ladder)trans-80.3124.2166.2-70.2163.1176.900108.2R145R145-E166 VanDerWaalsContact CZ-CD 3.43Å; R145-E166 IonicContact CZ-OE1 2.7Å; R145-E166 VanDerWaalsContact CZ-OE1 3.31Å; R145-E166 IonicContact CZ-OE2 3.26Å; R145-E166 IonicContact NH1-OE1 3.2Å; R145-E166 IonicContact NH1-OE2 3.37Å; R145-E166 PolarHBondContact NH1-OE2 2.98Å; R145-E166 IonicContact NH2-OE1 2.73Å; R145-E166 PolarHBondContact NH2-OE1 3.15Å; R145-E166 IonicContact NH2-OE2 3.19Å; R145-E166 PolarHBondContact NH2-OE2 2.68Å
167M86.3Confident90.7Very high93 Ų9362.2 Ų62.246%0.45829%0.291SS..  trans-99.2176175.1-59.4-63.6-77.200109.3A171 M173M167-A171 WeakPolarHBondContact CA-O 3.27Å; M167-A171 HydrophobicContact CB-CB 4.21Å; M167-A171 WeakPolarHBondContact CB-O 3.4Å; M167-A171 PolarHBondContact N-O 3.35Å; M167-M173 HydrophobicContact CE-CE 3.98Å; M167-M173 HydrophobicContact CE-SD 4.28Å; M167-M173 HydrophobicContact CG-CB 3.62Å; M167-M173 HydrophobicContact SD-CB 4.09Å; M167-M173 HydrophobicContact SD-CE 3.66Å; M167-M173 HydrophobicContact SD-SD 4.37Å
168K81.5Confident90.8Very high181 Ų18157 Ų5779%0.78727%0.269SS*.G310 helixtrans-58.8152.1172.2-62-175.1178.2-175.40110K170 A171K168-K170 PolarHBondContact O-N 2.92Å; K168-A171 PolarHBondContact O-N 3.27Å
169H84.7Confident90.8Very high186 Ų18657 Ų5786%0.86127%0.269SS*.G310 helixtrans6235.5-179.9-53-77.3000115.5A171H169-A171 PolarHBondContact O-N 2.88Å
170K78.7Confident90.8Very high205 Ų20558.6 Ų58.689%0.89128%0.277SS*.G310 helixtrans59.48.8-179.6-54.6-179.6178.5-178.70114.2K168K168-K170 PolarHBondContact O-N 2.92Å
171A83.4Confident90.8Very high52 Ų5258.9 Ų58.943%0.4328%0.279SS..  trans-69.9144.6175.400000109.8M167 K168 H169M167-A171 WeakPolarHBondContact CA-O 3.27Å; M167-A171 HydrophobicContact CB-CB 4.21Å; M167-A171 WeakPolarHBondContact CB-O 3.4Å; M167-A171 PolarHBondContact N-O 3.35Å; K168-A171 PolarHBondContact O-N 3.27Å; H169-A171 PolarHBondContact O-N 2.88Å
172V86.1Confident90.6Very high71 Ų7162.2 Ų62.243%0.4330%0.302SS..EExtended strand (participates in β ladder)trans-114129.7-178.9176.40000109.9R164R164-V172 HydrophobicContact CG-CG1 3.2Å
173M90.4Very high90.6Very high46 Ų4667.9 Ų67.923%0.22733%0.327CS..EExtended strand (participates in β ladder)trans-116.8128175.6-175.5174.468.600110.5T86 H165 M167T86-M173 HydrophobicContact CG2-CE 4.47Å; T86-M173 HydrophobicContact CG2-CG 4.25Å; T86-M173 HydrophobicContact CG2-SD 3.67Å; H165-M173 PolarHBondContact N-O 3.2Å; H165-M173 PolarHBondContact O-N 2.84Å; M167-M173 HydrophobicContact CE-CE 3.98Å; M167-M173 HydrophobicContact CE-SD 4.28Å; M167-M173 HydrophobicContact CG-CB 3.62Å; M167-M173 HydrophobicContact SD-CB 4.09Å; M167-M173 HydrophobicContact SD-CE 3.66Å; M167-M173 HydrophobicContact SD-SD 4.37Å
174L92.6Very high90.6Very high22 Ų2268.9 Ų68.912%0.11534%0.335CS..EExtended strand (participates in β ladder)trans-89130.8175-58.2169.7000109.6T87 I162 R164T87-L174 HydrophobicContact CG2-CB 3.74Å; T87-L174 PolarHBondContact N-O 2.98Å; T87-L174 WeakPolarHBondContact O-CB 3.42Å; I162-L174 HydrophobicContact CG2-CB 4.12Å; I162-L174 HydrophobicContact CG2-CD2 4.31Å; R164-L174 HydrophobicContact CB-CD2 4.38Å; R164-L174 HydrophobicContact CG-CD2 4.41Å
175R94.2Very high90.7Very high72 Ų7266.7 Ų66.727%0.27233%0.328SS..EExtended strand (participates in β ladder)trans-129.1122.9-179.1-172.5173.8-95.2175.6-4.1109.6N84 A85 I162 Y163N84-R175 HydrophobicContact CB-CG 3.74Å; N84-R175 VanDerWaalsContact ND2-CD 3.33Å; N84-R175 WeakPolarHBondContact ND2-CD 3.35Å; N84-R175 PolarHBondContact ND2-NE 2.86Å; N84-R175 PolarHBondContact ND2-NH1 2.7Å; A85-R175 CarbonylContact O-C 3.58Å; A85-R175 WeakPolarHBondContact O-CA 3.28Å; I162-R175 WeakPolarHBondContact CA-O 3.31Å; Y163-R175 PolarHBondContact N-O 3.4Å; Y163-R175 PolarHBondContact O-N 2.92Å
176C94.9Very high90.8Very high0 Ų067.5 Ų67.50%033%0.331CS..EExtended strand (participates in β ladder)trans-80.8130.3169.5-170.20000108.6N84 A85 A99 W161N84-C176 CarbonylContact C-O 3.53Å; N84-C176 WeakPolarHBondContact CA-O 2.93Å; A85-C176 PolarHBondContact N-O 2.7Å; A85-C176 PolarHBondContact O-N 2.67Å; A99-C176 HydrophobicContact CB-CB 3.55Å; W161-C176 WeakPolarHBondContact O-CA 3.41Å
177H95.5Very high91Very high2 Ų261.7 Ų61.71%0.00930%0.304CS..EExtended strand (participates in β ladder)trans-110.7139.5170.2-66.5-85.7000108.3Y81 Y141 A160 W161 H165Y81-H177 HydrophobicContact CE2-CB 4.4Å; Y81-H177 AromaticContact CE2-ND1 3.94Å; Y81-H177 AromaticContact CZ-ND1 3.97Å; Y81-H177 PolarHBondContact OH-ND1 2.75Å; Y81-H177 VanDerWaalsContact OH-ND1 3.11Å; Y141-H177 AromaticContact CE1-CD2 3.98Å; Y141-H177 AromaticContact CE1-CE1 3.74Å; Y141-H177 AromaticContact CE1-NE2 3.55Å; Y141-H177 AromaticContact CZ-CE1 3.83Å; Y141-H177 PolarHBondContact OH-CE1 3.09Å; Y141-H177 VanDerWaalsContact OH-CE1 3.24Å; Y141-H177 PolarHBondContact OH-ND1 2.86Å; A160-H177 WeakPolarHBondContact CA-O 3.41Å; A160-H177 WeakPolarHBondContact CB-O 3.43Å; W161-H177 HydrophobicContact CD2-CB 3.84Å; W161-H177 VanDerWaalsContact CE2-CB 3.41Å; W161-H177 AromaticContact CE2-CG 3.96Å; W161-H177 HydrophobicContact CE3-CB 4.2Å; W161-H177 HydrophobicContact CG-CB 4.48Å; W161-H177 HydrophobicContact CH2-CB 3.83Å; W161-H177 HydrophobicContact CZ2-CB 3.42Å; W161-H177 VanDerWaalsContact CZ2-CB 3.42Å; W161-H177 AromaticContact CZ2-CG 3.95Å; W161-H177 HydrophobicContact CZ3-CB 4.2Å; W161-H177 PolarHBondContact N-O 3.42Å; W161-H177 AromaticContact NE1-CD2 3.78Å; W161-H177 AromaticContact NE1-CG 3.98Å; W161-H177 PolarHBondContact O-N 3.46Å; H165-H177 AromaticContact NE2-NE2 3.64Å
178A95.8Very high91.4Very high0 Ų060.3 Ų60.30%030%0.295CS..EExtended strand (participates in β ladder)trans-130.7136.1178.400000110.8L82 G83 I103 I158 A160L82-A178 PolarHBondContact N-O 3.48Å; L82-A178 VanDerWaalsContact N-O 3.15Å; G83-A178 PolarHBondContact O-N 3.17Å; I103-A178 HydrophobicContact CD1-CB 3.9Å; I103-A178 HydrophobicContact CG2-CB 4.11Å; I158-A178 HydrophobicContact CG2-CB 4.1Å; A160-A178 HydrophobicContact CB-CB 4.43Å
179V96Very high92Very high0 Ų051.7 Ų51.70%026%0.258CS..EExtended strand (participates in β ladder)trans-124.7143.8174.5-61.70000109.8V79 L80 Y81 L118 M127 I158 F159 W161 V181V79-V179 HydrophobicContact CB-CB 4.08Å; V79-V179 HydrophobicContact CB-CG2 4.34Å; V79-V179 HydrophobicContact CG1-CG2 4.43Å; V79-V179 HydrophobicContact CG2-CB 4.02Å; V79-V179 HydrophobicContact CG2-CG1 3.99Å; V79-V179 HydrophobicContact CG2-CG2 4.42Å; L80-V179 CarbonylContact O-C 3.57Å; L80-V179 WeakPolarHBondContact O-CA 3.42Å; Y81-V179 HydrophobicContact CD2-CG1 3.91Å; L118-V179 HydrophobicContact CD1-CG1 4.45Å; L118-V179 HydrophobicContact CD1-CG2 4.26Å; M127-V179 HydrophobicContact CE-CG1 4.07Å; I158-V179 WeakPolarHBondContact CA-O 3.32Å; F159-V179 HydrophobicContact CB-CG2 3.82Å; F159-V179 HydrophobicContact CD1-CG2 3.77Å; F159-V179 HydrophobicContact CG-CG2 4.29Å; F159-V179 PolarHBondContact N-O 3.31Å; F159-V179 WeakPolarHBondContact O-CG2 3.36Å; F159-V179 PolarHBondContact O-N 2.8Å; W161-V179 HydrophobicContact CH2-CG1 3.8Å; W161-V179 HydrophobicContact CZ3-CB 4.49Å; W161-V179 HydrophobicContact CZ3-CG1 3.71Å; W161-V179 HydrophobicContact CZ3-CG2 4.08Å; V179-V181 HydrophobicContact CG2-CG2 4.46Å
180L95.7Very high92.4Very high35 Ų3542.9 Ų42.918%0.18322%0.217CC..EExtended strand (participates in β ladder)trans-98.1130.9173.4-179.670000109.7L80 L82 W104 K157 I158L80-L180 HydrophobicContact CB-CB 4.22Å; L80-L180 HydrophobicContact CD2-CD2 4.12Å; L80-L180 PolarHBondContact N-O 2.86Å; L80-L180 PolarHBondContact O-N 2.7Å; L82-L180 HydrophobicContact CD1-CB 4.16Å; L82-L180 HydrophobicContact CD2-CB 4.04Å; L82-L180 HydrophobicContact CG-CB 4.13Å; W104-L180 HydrophobicContact CZ3-CD1 4.39Å; K157-L180 HydrophobicContact CB-CD1 3.63Å; I158-L180 HydrophobicContact CG1-CD1 4.16Å
181V95.1Very high93.2Very high5 Ų533.1 Ų33.13%0.0318%0.175CC..  trans-114.1153.7-179.6-165.10000109.7V79 K157 F159 V179 K186 A187 M190V79-V181 HydrophobicContact CG1-CG2 4.01Å; K157-V181 PolarHBondContact O-N 3.31Å; F159-V181 HydrophobicContact CB-CG2 4.43Å; V179-V181 HydrophobicContact CG2-CG2 4.46Å; V181-K186 HydrophobicContact CG1-CB 3.49Å; V181-K186 VanDerWaalsContact CG1-CB 3.49Å; V181-K186 HydrophobicContact CG1-CD 3.93Å; V181-K186 HydrophobicContact CG1-CG 4.36Å; V181-A187 HydrophobicContact CG2-CB 4.29Å; V181-M190 HydrophobicContact CG2-SD 4.11Å
182S92.3Very high93.6Very high71 Ų7130.7 Ų30.750%0.49715%0.154SC..SBendtrans-66.3-39.3-178.855.90000113.5
183K93.8Very high94Very high119 Ų11928.5 Ų28.552%0.51714%0.14SC..SBendtrans-118.9137-177.2-68.4-173.7-178.7-179.20110.6E185 K186 A187K183-E185 WeakPolarHBondContact CB-OE2 3.14Å; K183-E185 PolarHBondContact O-N 2.89Å; K183-K186 HydrophobicContact CB-CB 4.49Å; K183-K186 HydrophobicContact CB-CD 4.27Å; K183-K186 HydrophobicContact CB-CG 4.11Å; K183-K186 WeakPolarHBondContact O-CB 3.45Å; K183-K186 PolarHBondContact O-N 3.39Å; K183-K186 VanDerWaalsContact O-N 3.16Å; K183-A187 PolarHBondContact O-N 2.55Å
184P93.6Very high94.1Very high34 Ų3426.3 Ų26.322%0.22113%0.129CC..Hα-helixtrans-66.5-28.217828.2-34.8000112.8P156 K186 A187 K188P156-P184 HydrophobicContact CB-CB 3.74Å; P156-P184 HydrophobicContact CG-CB 4.37Å; P156-P184 WeakPolarHBondContact O-CA 3.3Å; P156-P184 WeakPolarHBondContact O-CB 3.34Å; P184-K186 PolarHBondContact O-N 3.2Å; P184-A187 PolarHBondContact O-N 3.41Å; P184-K188 PolarHBondContact O-N 2.92Å; P184-K188 VanDerWaalsContact O-N 3.14Å
185E93.4Very high94.1Very high38 Ų3827.4 Ų27.418%0.17813%0.132CC..Hα-helixtrans-63-34175.1-6072.4-155.300111.3K183 A189 R315 L319K183-E185 WeakPolarHBondContact CB-OE2 3.14Å; K183-E185 PolarHBondContact O-N 2.89Å; E185-A189 VanDerWaalsContact O-CB 3.29Å; E185-A189 WeakPolarHBondContact O-CB 3.45Å; E185-A189 PolarHBondContact O-N 3Å; E185-R315 HydrophobicContact CB-CB 4.44Å; E185-R315 HydrophobicContact CG-CB 3.86Å; E185-R315 IonicContact OE1-CZ 2.82Å; E185-R315 IonicContact OE1-NH1 3.51Å; E185-R315 PolarHBondContact OE1-NH1 3.23Å; E185-R315 IonicContact OE1-NH2 3.31Å; E185-L319 HydrophobicContact CB-CD1 3.82Å
186K93.1Very high94Very high63 Ų6327.3 Ų27.327%0.27414%0.135SC..Hα-helixtrans-69-41.7176.2-70-178.7177.5-174.70111.4V181 K183 P184 K188 A189 M190 L319V181-K186 HydrophobicContact CG1-CB 3.49Å; V181-K186 VanDerWaalsContact CG1-CB 3.49Å; V181-K186 HydrophobicContact CG1-CD 3.93Å; V181-K186 HydrophobicContact CG1-CG 4.36Å; K183-K186 HydrophobicContact CB-CB 4.49Å; K183-K186 HydrophobicContact CB-CD 4.27Å; K183-K186 HydrophobicContact CB-CG 4.11Å; K183-K186 WeakPolarHBondContact O-CB 3.45Å; K183-K186 PolarHBondContact O-N 3.39Å; K183-K186 VanDerWaalsContact O-N 3.16Å; P184-K186 PolarHBondContact O-N 3.2Å; K186-K188 VanDerWaalsContact C-N 3.33Å; K186-K188 PolarHBondContact O-N 3.36Å; K186-A189 PolarHBondContact O-N 3.46Å; K186-M190 WeakPolarHBondContact O-CB 3.25Å; K186-M190 WeakPolarHBondContact O-CG 3.23Å; K186-M190 PolarHBondContact O-N 3.48Å; K186-L319 HydrophobicContact CG-CD1 4.01Å
187A94.6Very high93.9Very high0 Ų028.6 Ų28.60%014%0.143CC..Hα-helixtrans-60.3-44.9176.800000111.3A151 F159 V181 K183 P184 M190 A191A151-A187 HydrophobicContact CB-CB 4.3Å; F159-A187 HydrophobicContact CB-CB 4.12Å; V181-A187 HydrophobicContact CG2-CB 4.29Å; K183-A187 PolarHBondContact O-N 2.55Å; P184-A187 PolarHBondContact O-N 3.41Å; A187-M190 PolarHBondContact O-N 3.19Å; A187-A191 PolarHBondContact O-N 3.08Å
188K94.3Very high93.7Very high65 Ų6529.1 Ų29.128%0.28315%0.147SC..Hα-helixtrans-61.3-45.2173.6-74.2-176.1-179.2-174.70112.9A151 P184 K186 M190 A191 L192 L310 V316A151-K188 HydrophobicContact CB-CG 4.06Å; P184-K188 PolarHBondContact O-N 2.92Å; P184-K188 VanDerWaalsContact O-N 3.14Å; K186-K188 VanDerWaalsContact C-N 3.33Å; K186-K188 PolarHBondContact O-N 3.36Å; K188-M190 VanDerWaalsContact C-N 3.34Å; K188-M190 PolarHBondContact O-N 3.45Å; K188-A191 PolarHBondContact O-N 3.09Å; K188-L192 WeakPolarHBondContact O-CB 3.5Å; K188-L192 PolarHBondContact O-N 2.74Å; K188-L310 HydrophobicContact CB-CD2 3.7Å; K188-L310 HydrophobicContact CD-CD2 3.88Å; K188-L310 HydrophobicContact CG-CD2 3.8Å; K188-V316 HydrophobicContact CB-CG2 3.73Å; K188-V316 HydrophobicContact CD-CG2 4.44Å
189A93.4Very high93.4Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-62-41.2176.800000112.2E185 K186 L192 L193 V316 L319 L320E185-A189 VanDerWaalsContact O-CB 3.29Å; E185-A189 WeakPolarHBondContact O-CB 3.45Å; E185-A189 PolarHBondContact O-N 3Å; K186-A189 PolarHBondContact O-N 3.46Å; A189-L192 PolarHBondContact O-N 2.95Å; A189-L193 WeakPolarHBondContact O-CB 3.36Å; A189-L193 PolarHBondContact O-N 3.23Å; A189-V316 HydrophobicContact CB-CG1 3.9Å; A189-L319 HydrophobicContact CB-CB 4.35Å; A189-L319 HydrophobicContact CB-CD1 4.38Å; A189-L320 HydrophobicContact CB-CD2 4.08Å; A189-L320 HydrophobicContact CB-CG 4.3Å
190M94.1Very high93.1Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-64.5-43.4177.1-70.8171.967.400112.1Y77 V79 L118 F159 V181 K186 A187 K188 L193 L194Y77-M190 HydrophobicContact CD1-CG 4.24Å; Y77-M190 HydrophobicContact CD1-SD 4.15Å; Y77-M190 HydrophobicContact CD2-CE 4.08Å; Y77-M190 HydrophobicContact CD2-CG 3.72Å; Y77-M190 HydrophobicContact CD2-SD 3.9Å; Y77-M190 HydrophobicContact CE1-CG 4.2Å; Y77-M190 HydrophobicContact CE2-CG 3.66Å; Y77-M190 HydrophobicContact CE2-SD 4.44Å; Y77-M190 HydrophobicContact CG-CE 4.3Å; Y77-M190 HydrophobicContact CG-CG 4.01Å; Y77-M190 HydrophobicContact CG-SD 3.73Å; V79-M190 HydrophobicContact CG1-CE 4.2Å; V79-M190 HydrophobicContact CG1-SD 4.4Å; L118-M190 HydrophobicContact CB-CE 4.33Å; L118-M190 HydrophobicContact CD1-CE 3.54Å; L118-M190 HydrophobicContact CD2-CE 3.4Å; L118-M190 VanDerWaalsContact CD2-CE 3.4Å; L118-M190 HydrophobicContact CG-CE 3.92Å; F159-M190 HydrophobicContact CD1-CB 4.41Å; F159-M190 HydrophobicContact CD1-CE 3.88Å; F159-M190 HydrophobicContact CD2-CB 4.42Å; F159-M190 HydrophobicContact CE1-CB 4.48Å; F159-M190 HydrophobicContact CE1-CE 4.26Å; F159-M190 HydrophobicContact CG-CB 4.37Å; V181-M190 HydrophobicContact CG2-SD 4.11Å; K186-M190 WeakPolarHBondContact O-CB 3.25Å; K186-M190 WeakPolarHBondContact O-CG 3.23Å; K186-M190 PolarHBondContact O-N 3.48Å; A187-M190 PolarHBondContact O-N 3.19Å; K188-M190 VanDerWaalsContact C-N 3.34Å; K188-M190 PolarHBondContact O-N 3.45Å; M190-L193 PolarHBondContact O-N 2.95Å; M190-L194 WeakPolarHBondContact O-CB 3.41Å; M190-L194 PolarHBondContact O-N 3.42Å
191A94.3Very high92.8Very high0 Ų035.2 Ų35.20%019%0.193CC..Hα-helixtrans-61.1-49175.100000111.7A151 F159 A187 K188 L193 L194 Y195 I303A151-A191 HydrophobicContact CB-CB 4.31Å; F159-A191 HydrophobicContact CD2-CB 3.98Å; F159-A191 VanDerWaalsContact CE2-CA 3.47Å; F159-A191 HydrophobicContact CE2-CB 3.65Å; A187-A191 PolarHBondContact O-N 3.08Å; K188-A191 PolarHBondContact O-N 3.09Å; A191-L193 PolarHBondContact O-N 2.71Å; A191-L194 PolarHBondContact O-N 3.45Å; A191-Y195 WeakPolarHBondContact O-CB 3.42Å; A191-Y195 PolarHBondContact O-N 3.17Å; A191-I303 HydrophobicContact CB-CD1 4.42Å
192L93.4Very high92.5Very high1 Ų136.7 Ų36.71%0.00520%0.201CC..Hα-helixtrans-61.8-44.4178.6-177.661.3000111.7K188 A189 Y195 Q196 V307 L310 K311 V316 L320K188-L192 WeakPolarHBondContact O-CB 3.5Å; K188-L192 PolarHBondContact O-N 2.74Å; A189-L192 PolarHBondContact O-N 2.95Å; L192-Y195 PolarHBondContact O-N 3.37Å; L192-Q196 HydrophobicContact CD1-CG 4.3Å; L192-Q196 HydrophobicContact CG-CG 4.42Å; L192-Q196 WeakPolarHBondContact O-CB 3.39Å; L192-Q196 VanDerWaalsContact O-CG 3.28Å; L192-Q196 WeakPolarHBondContact O-CG 3.2Å; L192-Q196 PolarHBondContact O-N 3.34Å; L192-V307 HydrophobicContact CD1-CG1 4.22Å; L192-L310 HydrophobicContact CB-CB 4.4Å; L192-L310 HydrophobicContact CB-CD1 4.23Å; L192-L310 HydrophobicContact CD1-CB 4.14Å; L192-L310 HydrophobicContact CD2-CB 4.15Å; L192-L310 HydrophobicContact CG-CB 4.46Å; L192-K311 HydrophobicContact CD1-CG 4.03Å; L192-K311 HydrophobicContact CD2-CG 4.13Å; L192-V316 HydrophobicContact CD2-CG1 3.93Å; L192-L320 HydrophobicContact CD2-CD1 3.92Å; L192-L320 HydrophobicContact CG-CD1 4.4Å
193L93.1Very high92.3Very high25 Ų2535.8 Ų35.813%0.13120%0.198CC..Hα-helixtrans-63.4-47-179.9176.467.4000111.7P75 Y77 V120 A189 M190 A191 Y195 Q196 T197 L320P75-L193 HydrophobicContact CB-CD2 4.28Å; P75-L193 HydrophobicContact CG-CD2 3.22Å; P75-L193 HydrophobicContact CG-CG 4.47Å; Y77-L193 HydrophobicContact CE2-CD2 4.41Å; V120-L193 HydrophobicContact CB-CD2 3.74Å; V120-L193 HydrophobicContact CB-CG 4.36Å; V120-L193 HydrophobicContact CG1-CD2 3.94Å; V120-L193 HydrophobicContact CG1-CG 4Å; V120-L193 HydrophobicContact CG2-CD2 4.13Å; A189-L193 WeakPolarHBondContact O-CB 3.36Å; A189-L193 PolarHBondContact O-N 3.23Å; M190-L193 PolarHBondContact O-N 2.95Å; A191-L193 PolarHBondContact O-N 2.71Å; L193-Y195 VanDerWaalsContact C-N 3.29Å; L193-Y195 PolarHBondContact O-N 3.06Å; L193-Q196 PolarHBondContact O-N 3.48Å; L193-T197 VanDerWaalsContact O-CB 3.27Å; L193-T197 WeakPolarHBondContact O-CB 3.44Å; L193-T197 PolarHBondContact O-N 3.45Å; L193-T197 PolarHBondContact O-OG1 3.09Å; L193-L320 HydrophobicContact CB-CD2 3.89Å; L193-L320 HydrophobicContact CD1-CD2 4.3Å; L193-L320 HydrophobicContact CD2-CD2 4.4Å; L193-L320 HydrophobicContact CG-CD2 4.42Å
194L93.6Very high92Very high0 Ų034.6 Ų34.60%019%0.194CC..Hα-helixtrans-60.2-43.7177.6-176.265.3000110.5V120 I125 L143 I146 C149 F159 M190 A191 T197 S198 M301V120-L194 HydrophobicContact CG1-CB 4.39Å; V120-L194 HydrophobicContact CG1-CD1 4.01Å; I125-L194 HydrophobicContact CD1-CD1 4.26Å; I125-L194 HydrophobicContact CD1-CD2 3.78Å; I125-L194 HydrophobicContact CG1-CD1 3.85Å; I125-L194 HydrophobicContact CG1-CD2 4.3Å; L143-L194 HydrophobicContact CD1-CD1 3.71Å; I146-L194 HydrophobicContact CD1-CD1 4.42Å; I146-L194 HydrophobicContact CG2-CD2 4.49Å; C149-L194 HydrophobicContact CB-CD2 3.84Å; F159-L194 HydrophobicContact CZ-CD2 3.95Å; M190-L194 WeakPolarHBondContact O-CB 3.41Å; M190-L194 PolarHBondContact O-N 3.42Å; A191-L194 PolarHBondContact O-N 3.45Å; L194-T197 PolarHBondContact O-N 2.85Å; L194-S198 WeakPolarHBondContact O-CB 3.16Å; L194-S198 PolarHBondContact O-N 3.15Å; L194-S198 PolarHBondContact O-OG 3.06Å; L194-M301 HydrophobicContact CB-CE 4.39Å; L194-M301 HydrophobicContact CD2-CE 4.29Å; L194-M301 HydrophobicContact CD2-SD 4.25Å; L194-M301 HydrophobicContact CG-CE 3.75Å; L194-M301 HydrophobicContact CG-SD 4.18Å; L194-M301 WeakPolarHBondContact O-CE 3.38Å
195Y93Very high91.7Very high46 Ų4638.9 Ų38.918%0.1821%0.209CC..Hα-helixtrans-59.7-50.9175.1179-104.2000112.6A191 L192 L193 T197 S198 A199 M301 I303 V307A191-Y195 WeakPolarHBondContact O-CB 3.42Å; A191-Y195 PolarHBondContact O-N 3.17Å; L192-Y195 PolarHBondContact O-N 3.37Å; L193-Y195 VanDerWaalsContact C-N 3.29Å; L193-Y195 PolarHBondContact O-N 3.06Å; Y195-T197 VanDerWaalsContact C-N 3.29Å; Y195-T197 PolarHBondContact O-N 3.42Å; Y195-S198 PolarHBondContact O-N 3.04Å; Y195-S198 PolarHBondContact O-OG 3.08Å; Y195-A199 PolarHBondContact O-N 3.01Å; Y195-M301 HydrophobicContact CD2-CE 4.45Å; Y195-M301 WeakPolarHBondContact CE2-O 3.34Å; Y195-I303 HydrophobicContact CD1-CG2 4.37Å; Y195-I303 HydrophobicContact CD2-CB 3.84Å; Y195-I303 HydrophobicContact CD2-CG2 3.72Å; Y195-I303 HydrophobicContact CE1-CG2 4.43Å; Y195-I303 HydrophobicContact CE2-CB 4.36Å; Y195-I303 HydrophobicContact CE2-CG2 3.8Å; Y195-I303 HydrophobicContact CG-CB 4.15Å; Y195-I303 HydrophobicContact CG-CD1 4.13Å; Y195-I303 HydrophobicContact CG-CG2 4.03Å; Y195-V307 HydrophobicContact CD1-CG1 4.32Å; Y195-V307 HydrophobicContact CD1-CG2 4.07Å; Y195-V307 HydrophobicContact CE1-CG1 3.98Å; Y195-V307 HydrophobicContact CE1-CG2 3.69Å
196Q91.8Very high91.3Very high69 Ų6940.2 Ų40.232%0.32222%0.215SC..Hα-helixtrans-59.3-40.1176.2-73.1176.3-2.600112.5L192 L193 A199 T200L192-Q196 HydrophobicContact CD1-CG 4.3Å; L192-Q196 HydrophobicContact CG-CG 4.42Å; L192-Q196 WeakPolarHBondContact O-CB 3.39Å; L192-Q196 VanDerWaalsContact O-CG 3.28Å; L192-Q196 WeakPolarHBondContact O-CG 3.2Å; L192-Q196 PolarHBondContact O-N 3.34Å; L193-Q196 PolarHBondContact O-N 3.48Å; Q196-A199 PolarHBondContact O-N 3.48Å; Q196-T200 WeakPolarHBondContact O-CB 3.45Å; Q196-T200 PolarHBondContact O-N 2.86Å; Q196-T200 PolarHBondContact O-OG1 3.37Å
197T92.1Very high90.9Very high28 Ų2842.5 Ų42.517%0.17222%0.222CC..Hα-helixtrans-66.9-42.5179.2-56.70000110.6L143 L193 L194 Y195 T200 A201L143-T197 HydrophobicContact CD2-CG2 4.25Å; L193-T197 VanDerWaalsContact O-CB 3.27Å; L193-T197 WeakPolarHBondContact O-CB 3.44Å; L193-T197 PolarHBondContact O-N 3.45Å; L193-T197 PolarHBondContact O-OG1 3.09Å; L194-T197 PolarHBondContact O-N 2.85Å; Y195-T197 VanDerWaalsContact C-N 3.29Å; Y195-T197 PolarHBondContact O-N 3.42Å; T197-T200 PolarHBondContact O-N 2.77Å; T197-A201 VanDerWaalsContact O-CB 3.25Å; T197-A201 WeakPolarHBondContact O-CB 3.28Å; T197-A201 PolarHBondContact O-N 2.94Å
198S91.3Very high90.5Very high12 Ų1247.3 Ų47.38%0.08425%0.247CC..Hα-helixtrans-63.1-4517574.40000112.9L194 Y195 T200 A201 L202 M301L194-S198 WeakPolarHBondContact O-CB 3.16Å; L194-S198 PolarHBondContact O-N 3.15Å; L194-S198 PolarHBondContact O-OG 3.06Å; Y195-S198 PolarHBondContact O-N 3.04Å; Y195-S198 PolarHBondContact O-OG 3.08Å; S198-T200 VanDerWaalsContact C-N 3.33Å; S198-T200 PolarHBondContact O-N 3.47Å; S198-A201 PolarHBondContact O-N 3Å; S198-L202 VanDerWaalsContact O-CB 3.26Å; S198-L202 WeakPolarHBondContact O-CB 3.4Å; S198-L202 PolarHBondContact O-N 3.25Å; S198-M301 WeakPolarHBondContact OG-CE 3.48Å
199A89.9Confident90Very high43 Ų4349 Ų4936%0.35525%0.254SS..Hα-helixtrans-63.6-41.617800000111Y195 Q196 A203Y195-A199 PolarHBondContact O-N 3.01Å; Q196-A199 PolarHBondContact O-N 3.48Å; A199-A203 WeakPolarHBondContact O-CB 3.4Å; A199-A203 PolarHBondContact O-N 3.02Å
200T90.1Very high89.5Confident88 Ų8856.2 Ų56.254%0.5428%0.281SS..Hα-helixtrans-66.4-46.5177.1-54.80000111.3Q196 T197 S198 L202 A203 E204Q196-T200 WeakPolarHBondContact O-CB 3.45Å; Q196-T200 PolarHBondContact O-N 2.86Å; Q196-T200 PolarHBondContact O-OG1 3.37Å; T197-T200 PolarHBondContact O-N 2.77Å; S198-T200 VanDerWaalsContact C-N 3.33Å; S198-T200 PolarHBondContact O-N 3.47Å; T200-L202 VanDerWaalsContact C-N 3.33Å; T200-L202 PolarHBondContact O-N 3.5Å; T200-A203 PolarHBondContact O-N 3.46Å; T200-E204 PolarHBondContact O-N 3.06Å
201A89.4Confident88.7Confident33 Ų3363.6 Ų63.627%0.27331%0.309SS..Hα-helixtrans-62.3-40.6177.900000111.8L143 T197 S198 E204 F205L143-A201 HydrophobicContact CD2-CB 3.72Å; T197-A201 VanDerWaalsContact O-CB 3.25Å; T197-A201 WeakPolarHBondContact O-CB 3.28Å; T197-A201 PolarHBondContact O-N 2.94Å; S198-A201 PolarHBondContact O-N 3Å; A201-E204 PolarHBondContact O-N 3.3Å; A201-F205 WeakPolarHBondContact O-CB 3.49Å; A201-F205 PolarHBondContact O-N 2.95Å
202L87.4Confident87.9Confident35 Ų3566.3 Ų66.318%0.18332%0.324CS..Hα-helixtrans-66.7-41.1175.9-175.864.5000111.6S198 T200 F205 K206 E300S198-L202 VanDerWaalsContact O-CB 3.26Å; S198-L202 WeakPolarHBondContact O-CB 3.4Å; S198-L202 PolarHBondContact O-N 3.25Å; T200-L202 VanDerWaalsContact C-N 3.33Å; T200-L202 PolarHBondContact O-N 3.5Å; L202-F205 PolarHBondContact O-N 3.34Å; L202-K206 HydrophobicContact CG-CD 4.45Å; L202-K206 WeakPolarHBondContact O-CB 3.45Å; L202-K206 WeakPolarHBondContact O-CG 3.3Å; L202-K206 PolarHBondContact O-N 3.34Å; L202-E300 HydrophobicContact CD2-CB 4.31Å
203A88.1Confident87.4Confident53 Ų5369.4 Ų69.444%0.43834%0.34SS..Hα-helixtrans-62.9-42.6175.600000111.8A199 T200 K206 R207A199-A203 WeakPolarHBondContact O-CB 3.4Å; A199-A203 PolarHBondContact O-N 3.02Å; T200-A203 PolarHBondContact O-N 3.46Å; A203-K206 PolarHBondContact O-N 3.4Å; A203-R207 VanDerWaalsContact O-CB 3.32Å; A203-R207 WeakPolarHBondContact O-CB 3.45Å; A203-R207 PolarHBondContact O-N 2.9Å
204E88.3Confident86.6Confident93 Ų9370.7 Ų70.744%0.43536%0.355SS..Hα-helixtrans-64.4-42.6174.4-78.3-60.4133.900112T200 A201 R207 L208T200-E204 PolarHBondContact O-N 3.06Å; A201-E204 PolarHBondContact O-N 3.3Å; E204-R207 WeakPolarHBondContact O-CB 3.48Å; E204-R207 PolarHBondContact O-N 3.36Å; E204-R207 IonicContact OE1-NE 3.66Å; E204-R207 PolarHBondContact OE1-NE 3.49Å; E204-R207 IonicContact OE2-CZ 3.19Å; E204-R207 VanDerWaalsContact OE2-CZ 3.26Å; E204-R207 IonicContact OE2-NE 3.63Å; E204-R207 PolarHBondContact OE2-NE 3.45Å; E204-R207 IonicContact OE2-NH2 3.53Å; E204-R207 PolarHBondContact OE2-NH2 2.93Å; E204-L208 WeakPolarHBondContact O-CB 3.27Å; E204-L208 PolarHBondContact O-N 3.46Å
205F86.7Confident85.7Confident124 Ų12476.7 Ų76.754%0.54438%0.377SS..Hα-helixtrans-60.2-49174.7176.7-102000111.6A201 L202 R207 L208 K209A201-F205 WeakPolarHBondContact O-CB 3.49Å; A201-F205 PolarHBondContact O-N 2.95Å; L202-F205 PolarHBondContact O-N 3.34Å; F205-R207 VanDerWaalsContact C-N 3.28Å; F205-R207 PolarHBondContact O-N 3.02Å; F205-L208 PolarHBondContact O-N 3.46Å; F205-K209 HydrophobicContact CE1-CD 4.42Å; F205-K209 HydrophobicContact CZ-CD 4.49Å; F205-K209 WeakPolarHBondContact O-CB 3.49Å; F205-K209 PolarHBondContact O-N 2.84Å
206K85.9Confident84.8Confident67 Ų6778.8 Ų78.829%0.29139%0.388SS..Hα-helixtrans-60.6-37.8176-71.5-178.8-174.8-171.90111.7L202 A203 R210 N296L202-K206 HydrophobicContact CG-CD 4.45Å; L202-K206 WeakPolarHBondContact O-CB 3.45Å; L202-K206 WeakPolarHBondContact O-CG 3.3Å; L202-K206 PolarHBondContact O-N 3.34Å; A203-K206 PolarHBondContact O-N 3.4Å; K206-R210 WeakPolarHBondContact O-CB 3.39Å; K206-R210 WeakPolarHBondContact O-CG 3.5Å; K206-R210 PolarHBondContact O-N 2.93Å; K206-R210 PolarHBondContact O-NE 2.98Å; K206-N296 WeakPolarHBondContact CE-OD1 3.41Å; K206-N296 PolarHBondContact NZ-OD1 2.85Å
207R85.4Confident84Confident111 Ų11181.2 Ų81.242%0.41940%0.4SS..Hα-helixtrans-66.2-42.5176.5-173.3-174.771.578.32.5111.6A203 E204 F205 R211A203-R207 VanDerWaalsContact O-CB 3.32Å; A203-R207 WeakPolarHBondContact O-CB 3.45Å; A203-R207 PolarHBondContact O-N 2.9Å; E204-R207 WeakPolarHBondContact O-CB 3.48Å; E204-R207 PolarHBondContact O-N 3.36Å; E204-R207 IonicContact OE1-NE 3.66Å; E204-R207 PolarHBondContact OE1-NE 3.49Å; E204-R207 IonicContact OE2-CZ 3.19Å; E204-R207 VanDerWaalsContact OE2-CZ 3.26Å; E204-R207 IonicContact OE2-NE 3.63Å; E204-R207 PolarHBondContact OE2-NE 3.45Å; E204-R207 IonicContact OE2-NH2 3.53Å; E204-R207 PolarHBondContact OE2-NH2 2.93Å; F205-R207 VanDerWaalsContact C-N 3.28Å; F205-R207 PolarHBondContact O-N 3.02Å; R207-R211 PolarHBondContact O-N 3.44Å
208L85.9Confident82.9Confident101 Ų10185 Ų8553%0.52942%0.416SS..Hα-helixtrans-68.3-44.8178.9-171.262.9000111E204 F205 R211 D212E204-L208 WeakPolarHBondContact O-CB 3.27Å; E204-L208 PolarHBondContact O-N 3.46Å; F205-L208 PolarHBondContact O-N 3.46Å; L208-R211 WeakPolarHBondContact O-CB 3.37Å; L208-R211 PolarHBondContact O-N 2.7Å; L208-R211 VanDerWaalsContact O-N 3.15Å; L208-D212 PolarHBondContact O-N 2.83Å
209K84Confident81.7Confident101 Ų10186.9 Ų86.944%0.43942%0.423SS..Hα-helixtrans-59.2-48.6176.4-167.6174.9-178.5-179.20111.7F205 R211 D212 D213F205-K209 HydrophobicContact CE1-CD 4.42Å; F205-K209 HydrophobicContact CZ-CD 4.49Å; F205-K209 WeakPolarHBondContact O-CB 3.49Å; F205-K209 PolarHBondContact O-N 2.84Å; K209-R211 VanDerWaalsContact C-N 3.25Å; K209-R211 PolarHBondContact O-N 2.86Å; K209-D212 WeakPolarHBondContact O-CA 3.24Å; K209-D212 WeakPolarHBondContact O-CB 3.46Å; K209-D212 PolarHBondContact O-N 3.44Å; K209-D213 PolarHBondContact O-N 2.73Å
210R81.1Confident80.7Confident151 Ų15192.7 Ų92.757%0.5744%0.443SS*.Hα-helixtrans-56.3-36.6174.5-80.7-176.4-91.4109.5-5.3113.8K206 A214K206-R210 WeakPolarHBondContact O-CB 3.39Å; K206-R210 WeakPolarHBondContact O-CG 3.5Å; K206-R210 PolarHBondContact O-N 2.93Å; K206-R210 PolarHBondContact O-NE 2.98Å; R210-A214 VanDerWaalsContact O-CB 3.31Å; R210-A214 WeakPolarHBondContact O-CB 3.2Å; R210-A214 PolarHBondContact O-N 2.88Å; R210-A214 VanDerWaalsContact O-N 3.08Å
211R79.1Confident79.7Confident155 Ų15595.8 Ų95.859%0.58546%0.455SS*.Hα-helixtrans-71.7-35.3177-177.1177.3-178.3151.82.5111.6R207 L208 K209 R215R207-R211 PolarHBondContact O-N 3.44Å; L208-R211 WeakPolarHBondContact O-CB 3.37Å; L208-R211 PolarHBondContact O-N 2.7Å; L208-R211 VanDerWaalsContact O-N 3.15Å; K209-R211 VanDerWaalsContact C-N 3.25Å; K209-R211 PolarHBondContact O-N 2.86Å; R211-R215 WeakPolarHBondContact O-CG 3.33Å; R211-R215 PolarHBondContact O-N 3.09Å
212D76.9Confident78.6Confident57 Ų5797.8 Ų97.831%0.30546%0.464SS..Hα-helixtrans-70.6-47.6177.5-156.154.9000111.4L208 K209 A214 R215 H216L208-D212 PolarHBondContact O-N 2.83Å; K209-D212 WeakPolarHBondContact O-CA 3.24Å; K209-D212 WeakPolarHBondContact O-CB 3.46Å; K209-D212 PolarHBondContact O-N 3.44Å; D212-A214 VanDerWaalsContact C-N 3.3Å; D212-A214 PolarHBondContact O-N 2.87Å; D212-R215 WeakPolarHBondContact O-CA 3.48Å; D212-R215 WeakPolarHBondContact O-CB 3.31Å; D212-R215 PolarHBondContact O-N 3.08Å; D212-R215 IonicContact OD1-CZ 2.95Å; D212-R215 IonicContact OD1-NE 3.62Å; D212-R215 IonicContact OD1-NH2 2.96Å; D212-R215 PolarHBondContact OD1-NH2 2.87Å; D212-H216 PolarHBondContact O-N 3.32Å; D212-H216 PolarHBondContact O-ND1 3.35Å; D212-H216 IonicContact OD2-CE1 3.5Å; D212-H216 PolarHBondContact OD2-CE1 3.3Å; D212-H216 IonicContact OD2-ND1 2.68Å
213D82.6Confident77.2Confident66 Ų6697.7 Ų97.735%0.35347%0.471SS..Hα-helixtrans-57.2-43.4174.7-59.9-20.9000111K209 R215 H216 Q217K209-D213 PolarHBondContact O-N 2.73Å; D213-R215 VanDerWaalsContact C-N 3.3Å; D213-R215 PolarHBondContact O-N 3.34Å; D213-H216 PolarHBondContact O-N 3.37Å; D213-Q217 WeakPolarHBondContact O-CB 3.15Å; D213-Q217 VanDerWaalsContact O-CG 3.28Å; D213-Q217 WeakPolarHBondContact O-CG 3.31Å; D213-Q217 PolarHBondContact O-N 3.14Å
214A76.4Confident75.8Confident52 Ų52102.3 Ų102.343%0.4349%0.489SS..Hα-helixtrans-64-33.3175.800000113R210 D212 Q218R210-A214 VanDerWaalsContact O-CB 3.31Å; R210-A214 WeakPolarHBondContact O-CB 3.2Å; R210-A214 PolarHBondContact O-N 2.88Å; R210-A214 VanDerWaalsContact O-N 3.08Å; D212-A214 VanDerWaalsContact C-N 3.3Å; D212-A214 PolarHBondContact O-N 2.87Å; A214-Q218 WeakPolarHBondContact O-CB 3.31Å; A214-Q218 PolarHBondContact O-N 3.34Å
215R75.4Confident74.2Confident126 Ų126107 Ų10748%0.47551%0.51SS..Hα-helixtrans-70.3-45.6174.4-76.1-175.7-63.8-172.63.6111.2R211 D212 D213 Q218 Q219R211-R215 WeakPolarHBondContact O-CG 3.33Å; R211-R215 PolarHBondContact O-N 3.09Å; D212-R215 WeakPolarHBondContact O-CA 3.48Å; D212-R215 WeakPolarHBondContact O-CB 3.31Å; D212-R215 PolarHBondContact O-N 3.08Å; D212-R215 IonicContact OD1-CZ 2.95Å; D212-R215 IonicContact OD1-NE 3.62Å; D212-R215 IonicContact OD1-NH2 2.96Å; D212-R215 PolarHBondContact OD1-NH2 2.87Å; D213-R215 VanDerWaalsContact C-N 3.3Å; D213-R215 PolarHBondContact O-N 3.34Å; R215-Q218 PolarHBondContact O-N 3.1Å; R215-Q219 WeakPolarHBondContact O-CG 3.46Å; R215-Q219 PolarHBondContact O-N 3.48Å
216H73.3Confident72.7Confident90 Ų90105 Ų10542%0.41751%0.509SS..Hα-helixtrans-61.4-43.5176.4-73.4122.9000111.7D212 D213 Q218 Q219 Q220D212-H216 PolarHBondContact O-N 3.32Å; D212-H216 PolarHBondContact O-ND1 3.35Å; D212-H216 IonicContact OD2-CE1 3.5Å; D212-H216 PolarHBondContact OD2-CE1 3.3Å; D212-H216 IonicContact OD2-ND1 2.68Å; D213-H216 PolarHBondContact O-N 3.37Å; H216-Q218 VanDerWaalsContact C-N 3.34Å; H216-Q218 PolarHBondContact O-N 2.96Å; H216-Q219 PolarHBondContact CD2-OE1 2.94Å; H216-Q219 WeakPolarHBondContact O-CB 3.33Å; H216-Q219 PolarHBondContact O-N 2.85Å; H216-Q220 WeakPolarHBondContact O-CG 3.5Å; H216-Q220 PolarHBondContact O-N 3.46Å
217Q74.2Confident71.2Confident120 Ų120104.2 Ų104.256%0.56151%0.507SS*.Hα-helixtrans-61.6-41.3174.6-73.8174.9-0.500112.1D213 Q219 Q220 L221D213-Q217 WeakPolarHBondContact O-CB 3.15Å; D213-Q217 VanDerWaalsContact O-CG 3.28Å; D213-Q217 WeakPolarHBondContact O-CG 3.31Å; D213-Q217 PolarHBondContact O-N 3.14Å; Q217-Q219 VanDerWaalsContact C-N 3.33Å; Q217-Q220 PolarHBondContact O-N 3.03Å; Q217-L221 WeakPolarHBondContact O-CB 3.46Å; Q217-L221 VanDerWaalsContact O-CG 3.31Å; Q217-L221 WeakPolarHBondContact O-CG 3.29Å; Q217-L221 PolarHBondContact O-N 3.25Å
218Q70.3Confident69.7Low108 Ų108101.8 Ų101.851%0.50551%0.506SS..Hα-helixtrans-65.6-36.8175.7-166.6-175.6-30.500111.8A214 R215 H216 L221 V222 I227A214-Q218 WeakPolarHBondContact O-CB 3.31Å; A214-Q218 PolarHBondContact O-N 3.34Å; R215-Q218 PolarHBondContact O-N 3.1Å; H216-Q218 VanDerWaalsContact C-N 3.34Å; H216-Q218 PolarHBondContact O-N 2.96Å; Q218-L221 PolarHBondContact O-N 3.04Å; Q218-V222 HydrophobicContact CG-CG2 4.2Å; Q218-V222 VanDerWaalsContact O-CG2 3.25Å; Q218-V222 WeakPolarHBondContact O-CG2 3.28Å; Q218-V222 PolarHBondContact O-N 2.95Å; Q218-V222 VanDerWaalsContact O-N 3.11Å; Q218-I227 HydrophobicContact CB-CD1 4.46Å; Q218-I227 HydrophobicContact CG-CD1 3.74Å
219Q66.1Low68.2Low50 Ų50104.3 Ų104.323%0.23452%0.519CS..Hα-helixtrans-62.9-45.4173.7-74169-30.400111.5R215 H216 Q217 L221 G223R215-Q219 WeakPolarHBondContact O-CG 3.46Å; R215-Q219 PolarHBondContact O-N 3.48Å; H216-Q219 PolarHBondContact CD2-OE1 2.94Å; H216-Q219 WeakPolarHBondContact O-CB 3.33Å; H216-Q219 PolarHBondContact O-N 2.85Å; Q217-Q219 VanDerWaalsContact C-N 3.33Å; Q219-L221 PolarHBondContact O-N 2.85Å; Q219-G223 WeakPolarHBondContact O-CA 3.49Å; Q219-G223 PolarHBondContact O-N 2.94Å
220Q67.9Low66.9Low166 Ų166102 Ų10278%0.77651%0.513SS*.Hα-helixtrans-63.6-38.9177.6-71.1179.5-3.200112.9H216 Q217H216-Q220 WeakPolarHBondContact O-CG 3.5Å; H216-Q220 PolarHBondContact O-N 3.46Å; Q217-Q220 PolarHBondContact O-N 3.03Å
221L69.6Low65.8Low152 Ų15298.4 Ų98.480%0.79651%0.51SS*.Hα-helixtrans-75.2-32.4-178.3-72.2171.8000114.1Q217 Q218 Q219Q217-L221 WeakPolarHBondContact O-CB 3.46Å; Q217-L221 VanDerWaalsContact O-CG 3.31Å; Q217-L221 WeakPolarHBondContact O-CG 3.29Å; Q217-L221 PolarHBondContact O-N 3.25Å; Q218-L221 PolarHBondContact O-N 3.04Å; Q219-L221 PolarHBondContact O-N 2.85Å
222V65Low64.6Low76 Ų7696.6 Ų96.646%0.46151%0.511SS..Hα-helixtrans-100.3-5.7-175.6-160.60000111.6Q218 T226 I227Q218-V222 HydrophobicContact CG-CG2 4.2Å; Q218-V222 VanDerWaalsContact O-CG2 3.25Å; Q218-V222 WeakPolarHBondContact O-CG2 3.28Å; Q218-V222 PolarHBondContact O-N 2.95Å; Q218-V222 VanDerWaalsContact O-N 3.11Å; V222-T226 WeakPolarHBondContact CG1-OG1 3.38Å; V222-T226 PolarHBondContact O-OG1 2.78Å; V222-I227 HydrophobicContact CB-CD1 3.94Å; V222-I227 HydrophobicContact CB-CG1 4.31Å; V222-I227 HydrophobicContact CG1-CG1 4.45Å; V222-I227 HydrophobicContact CG2-CD1 4.07Å
223G59.7Low63.7Low33 Ų33101.9 Ų101.934%0.3453%0.526SS..  trans71.9150.2-178.400000112.9Q219 Q225 T226Q219-G223 WeakPolarHBondContact O-CA 3.49Å; Q219-G223 PolarHBondContact O-N 2.94Å; G223-Q225 PolarHBondContact O-N 2.82Å; G223-T226 PolarHBondContact O-N 2.86Å; G223-T226 PolarHBondContact O-OG1 3.49Å
224D57.7Low62.3Low150 Ų150105.2 Ų105.280%0.80254%0.538SS*.THydrogen-bonded Turntrans-55.9-15.2-176.7-87.7-24.8000115.1T226D224-T226 PolarHBondContact O-N 3.24Å
225Q54.4Low61.3Low190 Ų190107.3 Ų107.389%0.88854%0.541SS*.THydrogen-bonded Turntrans-82.6-7.8-173.3-64.2-109.53200114.5G223G223-Q225 PolarHBondContact O-N 2.82Å
226T56.6Low60.5Low83 Ų83108.1 Ų108.151%0.50955%0.554SS.*THydrogen-bonded Turntrans-129.9-13.3-165.962.80000116.3V222 G223 D224 P228V222-T226 WeakPolarHBondContact CG1-OG1 3.38Å; V222-T226 PolarHBondContact O-OG1 2.78Å; G223-T226 PolarHBondContact O-N 2.86Å; G223-T226 PolarHBondContact O-OG1 3.49Å; D224-T226 PolarHBondContact O-N 3.24Å; T226-P228 WeakPolarHBondContact O-CD 3.33Å
227I54.2Low59.7Low51 Ų51108.7 Ų108.726%0.26256%0.56SS.*SBendtrans-115.2103.3177.6-54.8177.2000109.1Q218 V222 L229Q218-I227 HydrophobicContact CB-CD1 4.46Å; Q218-I227 HydrophobicContact CG-CD1 3.74Å; V222-I227 HydrophobicContact CB-CD1 3.94Å; V222-I227 HydrophobicContact CB-CG1 4.31Å; V222-I227 HydrophobicContact CG1-CG1 4.45Å; V222-I227 HydrophobicContact CG2-CD1 4.07Å; I227-L229 PolarHBondContact O-N 3.02Å
228P53.7Low58.7Low59 Ų59106.4 Ų106.438%0.38357%0.569SS.*  trans-67.4133.5179.7-16.328.3000111.9T226 V230 L232 L235T226-P228 WeakPolarHBondContact O-CD 3.33Å; P228-V230 PolarHBondContact O-N 3.17Å; P228-L232 HydrophobicContact CG-CD2 4.3Å; P228-L235 HydrophobicContact CB-CD1 2.95Å; P228-L235 HydrophobicContact CB-CG 4.3Å; P228-L235 HydrophobicContact CG-CD1 3.68Å
229L55Low58.2Low154 Ų154108.8 Ų108.881%0.80658%0.58SS**SBendtrans-57.7-7.5-179.8-64.4171.5000114.4I227I227-L229 PolarHBondContact O-N 3.02Å
230V55.1Low57.3Low53 Ų53110.3 Ų110.332%0.32160%0.596SS.*SBendtrans-133.2143.2-173-159.40000108.5P228 L232 K234 L235P228-V230 PolarHBondContact O-N 3.17Å; V230-L232 PolarHBondContact O-N 3.15Å; V230-K234 HydrophobicContact CB-CB 4.38Å; V230-K234 HydrophobicContact CG1-CB 3.56Å; V230-K234 HydrophobicContact CG1-CD 3.51Å; V230-K234 HydrophobicContact CG1-CG 3.71Å; V230-L235 HydrophobicContact CB-CD1 4.32Å; V230-L235 VanDerWaalsContact O-CD1 3.26Å; V230-L235 WeakPolarHBondContact O-CD1 3.42Å
231P58.5Low56.4Low76 Ų76112.3 Ų112.349%0.49460%0.598SS.*  trans-47.9130.6176.6-30.635.4000111.4R233 K234P231-R233 HydrophobicContact CB-CG 3.95Å; P231-R233 PolarHBondContact O-N 2.98Å; P231-K234 PolarHBondContact O-N 2.95Å
232L55Low55.5Low116 Ų116113.3 Ų113.361%0.60759%0.592SS**G310 helixtrans-42.8-35.2-175.2-85.4151.6000113.8P228 V230 K234 L235 L236P228-L232 HydrophobicContact CG-CD2 4.3Å; V230-L232 PolarHBondContact O-N 3.15Å; L232-K234 PolarHBondContact O-N 3.21Å; L232-K234 VanDerWaalsContact O-N 3.11Å; L232-L235 PolarHBondContact O-N 3.48Å; L232-L236 VanDerWaalsContact O-CB 3.31Å; L232-L236 WeakPolarHBondContact O-CB 3.14Å; L232-L236 PolarHBondContact O-N 3.36Å
233R57.2Low55.1Low168 Ų168118.8 Ų118.863%0.63461%0.61SS**G310 helixtrans-55.7-21.9172.967.3-177.2-178.292.2-3.8116.1P231 N237P231-R233 HydrophobicContact CB-CG 3.95Å; P231-R233 PolarHBondContact O-N 2.98Å; R233-N237 VanDerWaalsContact O-CB 3.31Å; R233-N237 WeakPolarHBondContact O-CB 3.41Å; R233-N237 PolarHBondContact O-OD1 3.03Å; R233-N237 VanDerWaalsContact O-OD1 3.09Å
234K53.3Low54.5Low136 Ų136121 Ų12159%0.59162%0.618SS**G310 helixtrans-88.2-19.8175.2-66.3-142.8-165.5167.90112.4V230 P231 L232V230-K234 HydrophobicContact CB-CB 4.38Å; V230-K234 HydrophobicContact CG1-CB 3.56Å; V230-K234 HydrophobicContact CG1-CD 3.51Å; V230-K234 HydrophobicContact CG1-CG 3.71Å; P231-K234 PolarHBondContact O-N 2.95Å; L232-K234 PolarHBondContact O-N 3.21Å; L232-K234 VanDerWaalsContact O-N 3.11Å
235L55.6Low54.1Low96 Ų96119.3 Ų119.350%0.50362%0.615SS.*THydrogen-bonded Turntrans-100-31.4-178.5-62.7149.6000111.3P228 V230 L232 N237P228-L235 HydrophobicContact CB-CD1 2.95Å; P228-L235 HydrophobicContact CB-CG 4.3Å; P228-L235 HydrophobicContact CG-CD1 3.68Å; V230-L235 HydrophobicContact CB-CD1 4.32Å; V230-L235 VanDerWaalsContact O-CD1 3.26Å; V230-L235 WeakPolarHBondContact O-CD1 3.42Å; L232-L235 PolarHBondContact O-N 3.48Å; L235-N237 VanDerWaalsContact C-N 3.28Å
236L58.6Low54.1Low143 Ų143115.7 Ų115.775%0.74961%0.606SS**SBendtrans-83.3-2.4174.5-14079.6000112.7L232 G238L232-L236 VanDerWaalsContact O-CB 3.31Å; L232-L236 WeakPolarHBondContact O-CB 3.14Å; L232-L236 PolarHBondContact O-N 3.36Å; L236-G238 VanDerWaalsContact C-N 3.28Å; L236-G238 PolarHBondContact O-N 3.21Å
237N55.2Low53.7Low102 Ų102120.2 Ų120.255%0.54562%0.621SS.*  trans-89.260.1176.2-90.929.3000111.6R233 L235 Q239R233-N237 VanDerWaalsContact O-CB 3.31Å; R233-N237 WeakPolarHBondContact O-CB 3.41Å; R233-N237 PolarHBondContact O-OD1 3.03Å; R233-N237 VanDerWaalsContact O-OD1 3.09Å; L235-N237 VanDerWaalsContact C-N 3.28Å; N237-Q239 PolarHBondContact O-N 3.2Å
238G54Low53.8Low73 Ų73127.2 Ų127.275%0.75364%0.644SS**SBendtrans-76.2-2.2164.600000114.1L236L236-G238 VanDerWaalsContact C-N 3.28Å; L236-G238 PolarHBondContact O-N 3.21Å
239Q59Low53.6Low157 Ų157128.8 Ų128.873%0.73466%0.656SS**  trans-140.558.6179-68.7-173.9-18.600112N237 Y241N237-Q239 PolarHBondContact O-N 3.2Å; Q239-Y241 HydrophobicContact CB-CE2 4.31Å
240C48.4Very low53.9Low83 Ų83133.8 Ų133.856%0.56167%0.665SS**  trans-96.4102157.7-165.90000108.3Y242C240-Y242 PolarHBondContact O-N 3.06Å
241Y49.1Very low54Low207 Ų207136.3 Ų136.381%0.81269%0.685SS**  trans-72.816.6174.8-73.8-85.9000113.6Q239 K243Q239-Y241 HydrophobicContact CB-CE2 4.31Å; Y241-K243 PolarHBondContact O-N 3.07Å
242Y50.3Low54.1Low174 Ų174136.4 Ų136.468%0.68269%0.692SS**  trans-86.493.2171.5-170.4-103.5000109.2C240 P244C240-Y242 PolarHBondContact O-N 3.06Å; Y242-P244 HydrophobicContact CD1-CG 4.49Å; Y242-P244 HydrophobicContact CE1-CB 3.93Å; Y242-P244 HydrophobicContact CE1-CG 4.21Å; Y242-P244 WeakPolarHBondContact O-CD 3.19Å
243K55.8Low54.3Low191 Ų191136.6 Ų136.683%0.8370%0.7SS**  trans-91.797.5165.2-71.5-176.8178.9177.50107.7Y241Y241-K243 PolarHBondContact O-N 3.07Å
244P48.1Very low54.5Low79 Ų79138.1 Ų138.151%0.51371%0.711SS.*  trans-58.7135.2170.523.6-29.8000108.4Y242 V246Y242-P244 HydrophobicContact CD1-CG 4.49Å; Y242-P244 HydrophobicContact CE1-CB 3.93Å; Y242-P244 HydrophobicContact CE1-CG 4.21Å; Y242-P244 WeakPolarHBondContact O-CD 3.19Å; P244-V246 PolarHBondContact O-N 2.89Å
245P48.4Very low54.8Low114 Ų114140.1 Ų140.174%0.7473%0.727SS**  trans-53.9130.3180-27.334.7000111.6E247P245-E247 PolarHBondContact O-N 3.48Å
246V55.3Low55.1Low114 Ų114138.6 Ų138.669%0.69174%0.735SS**  trans-7469.1169.2153.10000108.5P244 R248P244-V246 PolarHBondContact O-N 2.89Å; V246-R248 HydrophobicContact CG1-CG 4.33Å; V246-R248 PolarHBondContact O-N 3.33Å
247E48.8Very low54.9Low179 Ų179137.2 Ų137.284%0.83674%0.738SS**  trans-91.687.6156.5-80.3-173.2164.800107.7P245 S249P245-E247 PolarHBondContact O-N 3.48Å; E247-S249 PolarHBondContact O-N 3.08Å
248R55.6Low54.9Low198 Ų198140.3 Ų140.375%0.74775%0.753SS**  trans-65116.4168.4-78-178.6168.8105-2.6108.7V246 R250V246-R248 HydrophobicContact CG1-CG 4.33Å; V246-R248 PolarHBondContact O-N 3.33Å; R248-R250 PolarHBondContact O-N 3.46Å
249S50Low55.1Low91 Ų91142.6 Ų142.664%0.63675%0.752SS**  trans-57124.7157.61.70000108.1E247 S251E247-S249 PolarHBondContact O-N 3.08Å; S249-S251 PolarHBondContact O-N 3Å
250R59.7Low55Low259 Ų259142.2 Ų142.298%0.97775%0.75SS**THydrogen-bonded Turntrans-66.215.9-174.4-63.3-179.6176.1-178.3-1.8114.8R248R248-R250 PolarHBondContact O-N 3.46Å
251S58.7Low56.1Low106 Ų106143.3 Ų143.374%0.74175%0.75SS**THydrogen-bonded Turntrans-123.21.7-168.945.30000115S249S249-S251 PolarHBondContact O-N 3Å
252A60.7Low56.8Low78 Ų78138.8 Ų138.865%0.64574%0.739SS**SBendtrans-102124.4173.100000111
253P58.1Low57.6Low120 Ų120135.3 Ų135.378%0.77974%0.736SS**  trans-56.8140.6173.4-22.132.4000111.3L255P253-L255 PolarHBondContact O-N 3.26Å
254K62.2Low58.3Low201 Ų201127.6 Ų127.687%0.87471%0.711SS**  trans-65.7108.3177.7-69.2178.1-179.1175.60108.9G256K254-G256 PolarHBondContact O-N 2.9Å
255L60.2Low59.1Low177 Ų177128.9 Ų128.993%0.92771%0.71SS**PPolyproline II helixtrans-63.4116.8165.9-66.3172.1000107.9P253P253-L255 PolarHBondContact O-N 3.26Å
256G60.2Low59.9Low65 Ų65130 Ų13067%0.6771%0.705SS**PPolyproline II helixtrans-71156.3171.400000110.9K254 I258K254-G256 PolarHBondContact O-N 2.9Å; G256-I258 PolarHBondContact O-N 2.8Å
257S55Low60.4Low114 Ų114131.5 Ų131.580%0.79771%0.705SS**PPolyproline II helixtrans-62.8123.216848.80000108.9T259S257-T259 PolarHBondContact O-N 3.45Å
258I55.3Low61.2Low167 Ų167129.9 Ų129.986%0.85670%0.697SS**PPolyproline II helixtrans-71.5116.9168.4-59.1170.2000105.5G256G256-I258 PolarHBondContact O-N 2.8Å
259T57.6Low61.7Low120 Ų120126.8 Ų126.874%0.73669%0.692SS**PPolyproline II helixtrans-75.5124169.846.30000107.7S257 D261S257-T259 PolarHBondContact O-N 3.45Å; T259-D261 PolarHBondContact O-N 3.17Å
260E57.3Low62.6Low150 Ų150130.3 Ų130.370%0.70170%0.695SS**PPolyproline II helixtrans-61.4117.2171.357.1-151.415000109.4L262E260-L262 HydrophobicContact CG-CD2 4.4Å; E260-L262 PolarHBondContact O-N 3.46Å
261D72.6Confident62.8Low105 Ų105120.7 Ų120.756%0.56167%0.671SS**  trans-91.283.7175.6-176.52.7000108.3T259 V263 G264 E265T259-D261 PolarHBondContact O-N 3.17Å; D261-V263 PolarHBondContact O-N 3.37Å; D261-V263 VanDerWaalsContact O-N 3.1Å; D261-V263 PolarHBondContact OD1-N 3.03Å; D261-G264 PolarHBondContact O-N 3.48Å; D261-G264 VanDerWaalsContact O-N 3.12Å; D261-G264 PolarHBondContact OD1-N 3.37Å; D261-E265 PolarHBondContact O-N 2.85Å
262L63Low62.7Low112 Ų112121.8 Ų121.859%0.58667%0.666SS**Hα-helixtrans-56.2-26.7-177.6-62.1171.7000112.8E260 E266E260-L262 HydrophobicContact CG-CD2 4.4Å; E260-L262 PolarHBondContact O-N 3.46Å; L262-E266 PolarHBondContact O-N 2.61Å; L262-E266 VanDerWaalsContact O-N 3.11Å
263V66.8Low62.5Low102 Ų102123.3 Ų123.362%0.61866%0.66SS**Hα-helixtrans-78.7-40.4-179.2-176.80000110.6D261 E265 E267D261-V263 PolarHBondContact O-N 3.37Å; D261-V263 VanDerWaalsContact O-N 3.1Å; D261-V263 PolarHBondContact OD1-N 3.03Å; V263-E265 VanDerWaalsContact C-N 3.34Å; V263-E267 PolarHBondContact O-N 2.96Å; V263-E267 VanDerWaalsContact O-N 3.15Å
264G70Confident61.9Low29 Ų29124.7 Ų124.730%0.29965%0.654SS.*Hα-helixtrans-65.5-37.2173.400000112.7D261 E267 E268D261-G264 PolarHBondContact O-N 3.48Å; D261-G264 VanDerWaalsContact O-N 3.12Å; D261-G264 PolarHBondContact OD1-N 3.37Å; G264-E267 PolarHBondContact O-N 3.17Å; G264-E268 WeakPolarHBondContact O-CB 3.4Å; G264-E268 PolarHBondContact O-N 2.71Å; G264-E268 VanDerWaalsContact O-N 3.07Å
265E65.3Low61.4Low105 Ų105122.3 Ų122.349%0.49165%0.646SS.*Hα-helixtrans-68.3-42.7176.3-70.4178.3174.200112.1D261 V263 E267 E268 E269D261-E265 PolarHBondContact O-N 2.85Å; V263-E265 VanDerWaalsContact C-N 3.34Å; E265-E267 VanDerWaalsContact C-N 3.31Å; E265-E267 PolarHBondContact O-N 2.88Å; E265-E268 PolarHBondContact O-N 2.88Å; E265-E269 WeakPolarHBondContact O-CB 3.14Å; E265-E269 WeakPolarHBondContact O-CG 3.27Å; E265-E269 PolarHBondContact O-N 2.8Å
266E65.9Low60.9Low138 Ų138117.1 Ų117.165%0.64562%0.624SS**Hα-helixtrans-62.1-37174.2-94.1-171.1163.500112.5L262 K270L262-E266 PolarHBondContact O-N 2.61Å; L262-E266 VanDerWaalsContact O-N 3.11Å; E266-K270 WeakPolarHBondContact O-CB 3.48Å; E266-K270 PolarHBondContact O-N 3.46Å
267E66.7Low60.2Low146 Ų146119.3 Ų119.368%0.68262%0.617SS**Hα-helixtrans-72.2-35.7-179.8-154.4166.7-150.800111.6V263 G264 E265 A271V263-E267 PolarHBondContact O-N 2.96Å; V263-E267 VanDerWaalsContact O-N 3.15Å; G264-E267 PolarHBondContact O-N 3.17Å; E265-E267 VanDerWaalsContact C-N 3.31Å; E265-E267 PolarHBondContact O-N 2.88Å; E267-A271 WeakPolarHBondContact O-CB 3.36Å; E267-A271 PolarHBondContact O-N 3.06Å
268E65.6Low59.5Low144 Ų144120.3 Ų120.367%0.67361%0.613SS**Hα-helixtrans-72-38.4173.9-152.6171.5-152.100111.8G264 E265 A271 M272G264-E268 WeakPolarHBondContact O-CB 3.4Å; G264-E268 PolarHBondContact O-N 2.71Å; G264-E268 VanDerWaalsContact O-N 3.07Å; E265-E268 PolarHBondContact O-N 2.88Å; E268-A271 PolarHBondContact O-N 2.93Å; E268-M272 PolarHBondContact O-N 3.02Å
269E65.4Low59.4Low134 Ų134117.8 Ų117.863%0.62660%0.6SS**Hα-helixtrans-64.9-41171.8-79.2-169165.600112.2E265 M272 H273E265-E269 WeakPolarHBondContact O-CB 3.14Å; E265-E269 WeakPolarHBondContact O-CG 3.27Å; E265-E269 PolarHBondContact O-N 2.8Å; E269-M272 PolarHBondContact O-N 2.86Å; E269-H273 WeakPolarHBondContact O-CB 3.48Å; E269-H273 PolarHBondContact O-N 2.9Å
270K67.6Low58.9Low164 Ų164117.4 Ų117.471%0.71359%0.593SS**Hα-helixtrans-69.7-34.4178.7-160.4170.2-169.41720112.1E266 H273 F274E266-K270 WeakPolarHBondContact O-CB 3.48Å; E266-K270 PolarHBondContact O-N 3.46Å; K270-H273 PolarHBondContact O-N 2.84Å; K270-F274 PolarHBondContact O-N 2.97Å; K270-F274 VanDerWaalsContact O-N 3.12Å
271A65.3Low58.4Low58 Ų58117.5 Ų117.548%0.47960%0.598SS.*Hα-helixtrans-64.8-42170.100000111.7E267 E268 F274 E275E267-A271 WeakPolarHBondContact O-CB 3.36Å; E267-A271 PolarHBondContact O-N 3.06Å; E268-A271 PolarHBondContact O-N 2.93Å; A271-F274 PolarHBondContact O-N 3.3Å; A271-E275 PolarHBondContact O-N 2.97Å
272M57.2Low57.2Low128 Ų128117.2 Ų117.263%0.63160%0.604SS**Hα-helixtrans-67.6-34174.6-78-151.8-63.700113.4E268 E269 C276E268-M272 PolarHBondContact O-N 3.02Å; E269-M272 PolarHBondContact O-N 2.86Å; M272-C276 WeakPolarHBondContact O-CB 3.43Å; M272-C276 PolarHBondContact O-N 3.24Å
273H56Low56.6Low111 Ų111120.4 Ų120.451%0.51462%0.622SS.*Hα-helixtrans-66.5-42.4176.8-164.8-82.5000111.3E269 K270 E275 C276 E277E269-H273 WeakPolarHBondContact O-CB 3.48Å; E269-H273 PolarHBondContact O-N 2.9Å; K270-H273 PolarHBondContact O-N 2.84Å; H273-E275 PolarHBondContact O-N 2.8Å; H273-C276 PolarHBondContact O-N 3.45Å; H273-C276 VanDerWaalsContact O-N 3.13Å; H273-E277 VanDerWaalsContact CE1-CD 3.5Å; H273-E277 IonicContact CE1-OE1 3.93Å; H273-E277 IonicContact CE1-OE2 2.98Å; H273-E277 PolarHBondContact CE1-OE2 3.06Å; H273-E277 IonicContact ND1-OE2 3.87Å; H273-E277 PolarHBondContact ND1-OE2 3.29Å; H273-E277 PolarHBondContact O-N 3.41Å
274F45.2Very low55.6Low148 Ų148117.2 Ų117.265%0.64960%0.604SS**Hα-helixtrans-66.9-35.4179.7-154.9-94.5000112.5K270 A271 C276K270-F274 PolarHBondContact O-N 2.97Å; K270-F274 VanDerWaalsContact O-N 3.12Å; A271-F274 PolarHBondContact O-N 3.3Å; F274-C276 VanDerWaalsContact C-N 3.3Å; F274-C276 PolarHBondContact O-N 3.13Å
275E51.3Low54.7Low151 Ų151122.3 Ų122.371%0.70663%0.629SS**Hα-helixtrans-70.3-24.3172.5-71.9-167.816600113.5A271 H273 I279A271-E275 PolarHBondContact O-N 2.97Å; H273-E275 PolarHBondContact O-N 2.8Å; E275-I279 WeakPolarHBondContact O-CD1 3.3Å
276C49.1Very low54.1Low69 Ų69123.4 Ų123.447%0.46664%0.638SS.*Hα-helixtrans-85.8-33-179.2-156.10000112.2M272 H273 F274 I279 L280M272-C276 WeakPolarHBondContact O-CB 3.43Å; M272-C276 PolarHBondContact O-N 3.24Å; H273-C276 PolarHBondContact O-N 3.45Å; H273-C276 VanDerWaalsContact O-N 3.13Å; F274-C276 VanDerWaalsContact C-N 3.3Å; F274-C276 PolarHBondContact O-N 3.13Å; C276-I279 PolarHBondContact O-N 2.74Å; C276-L280 WeakPolarHBondContact O-CG 3.27Å
277E45.3Very low53.3Low111 Ų111121.9 Ų121.952%0.51963%0.631SS.*Hα-helixtrans-74.8-33.2-176.4-147.2147.9-154.100112.3H273 I279 L280H273-E277 VanDerWaalsContact CE1-CD 3.5Å; H273-E277 IonicContact CE1-OE1 3.93Å; H273-E277 IonicContact CE1-OE2 2.98Å; H273-E277 PolarHBondContact CE1-OE2 3.06Å; H273-E277 IonicContact ND1-OE2 3.87Å; H273-E277 PolarHBondContact ND1-OE2 3.29Å; H273-E277 PolarHBondContact O-N 3.41Å; E277-I279 PolarHBondContact O-N 3.38Å; E277-I279 VanDerWaalsContact O-N 3.12Å; E277-L280 PolarHBondContact O-N 3.39Å
278D41Very low52.8Low134 Ų134120.9 Ų120.972%0.71762%0.624SS**THydrogen-bonded Turntrans-64.6-12.1170.9-88.5-10.3000113.6
279I52.7Low52.3Low115 Ų115120.5 Ų120.559%0.5962%0.622SS**THydrogen-bonded Turntrans-96.4-16.7176.1-58.5175000111.7E275 C276 E277E275-I279 WeakPolarHBondContact O-CD1 3.3Å; C276-I279 PolarHBondContact O-N 2.74Å; E277-I279 PolarHBondContact O-N 3.38Å; E277-I279 VanDerWaalsContact O-N 3.12Å
280L47.7Very low51.9Low111 Ų111118.8 Ų118.858%0.58161%0.614SS**THydrogen-bonded Turntrans-99-5.2-168.4-68.3175.1000115.1C276 E277C276-L280 WeakPolarHBondContact O-CG 3.27Å; E277-L280 PolarHBondContact O-N 3.39Å
281D47.8Very low51.3Low153 Ų153115.4 Ų115.482%0.81860%0.604SS**SBendtrans-107.859.8179-118.910.3000112.8
282S46.5Very low51.1Low98 Ų98116.2 Ų116.269%0.68560%0.602SS**SBendtrans-171.1136.2151.6-90.50000111C284S282-C284 VanDerWaalsContact O-CB 3.28Å; S282-C284 WeakPolarHBondContact O-CB 3.26Å; S282-C284 PolarHBondContact O-N 3.48Å
283D51Low51.3Low180 Ų180115.3 Ų115.396%0.96360%0.597SS**  trans-38.3102.1177.6-67.9-48.1000114.3
284C44.9Very low51.3Low35 Ų35113.8 Ų113.824%0.23659%0.591CS.*  trans-143.738.3-170.280.10000116.6S282 N286 E287 K288S282-C284 VanDerWaalsContact O-CB 3.28Å; S282-C284 WeakPolarHBondContact O-CB 3.26Å; S282-C284 PolarHBondContact O-N 3.48Å; C284-N286 PolarHBondContact O-N 3.41Å; C284-E287 HydrophobicContact CB-CB 3.85Å; C284-E287 HydrophobicContact CB-CG 3.9Å; C284-E287 PolarHBondContact O-N 3.37Å; C284-K288 PolarHBondContact O-N 3.37Å
285V51.7Low52Low136 Ų136111.3 Ų111.382%0.82458%0.584SS**Hα-helixtrans-61.7-27.6167.9-145.60000111.5
286N51.6Low52.5Low127 Ų127106.7 Ų106.768%0.67956%0.564SS**Hα-helixtrans-77.7-42.8179-154.956.1000112.6C284 K288 H289 E290C284-N286 PolarHBondContact O-N 3.41Å; N286-K288 PolarHBondContact O-N 3.35Å; N286-H289 WeakPolarHBondContact O-CB 3.46Å; N286-H289 PolarHBondContact O-N 3.16Å; N286-E290 PolarHBondContact O-N 2.87Å
287E50.5Low53Low107 Ų107108 Ų10850%0.557%0.567SS.*Hα-helixtrans-63.6-38.3178.4-68.6-85147.700112.4C284 H289 E290 L291C284-E287 HydrophobicContact CB-CB 3.85Å; C284-E287 HydrophobicContact CB-CG 3.9Å; C284-E287 PolarHBondContact O-N 3.37Å; E287-H289 VanDerWaalsContact C-N 3.27Å; E287-H289 PolarHBondContact O-N 3.49Å; E287-E290 PolarHBondContact O-N 2.93Å; E287-L291 WeakPolarHBondContact O-CB 3.2Å; E287-L291 VanDerWaalsContact O-CG 3.3Å; E287-L291 WeakPolarHBondContact O-CG 3.46Å; E287-L291 PolarHBondContact O-N 3.24Å
288K55.2Low53.5Low125 Ų125108.3 Ų108.354%0.54357%0.571SS.*Hα-helixtrans-63.3-35.7175.7-73.4-175.1178.7175.90112.1C284 N286 T292C284-K288 PolarHBondContact O-N 3.37Å; N286-K288 PolarHBondContact O-N 3.35Å; K288-T292 VanDerWaalsContact O-CB 3.3Å; K288-T292 WeakPolarHBondContact O-CB 3.5Å; K288-T292 PolarHBondContact O-N 3.14Å; K288-T292 PolarHBondContact O-OG1 2.87Å
289H54.8Low54.5Low135 Ų135103.8 Ų103.863%0.62556%0.556SS**Hα-helixtrans-71.6-39.3177.1-148-78.6000110.9N286 E287 T292 Q293N286-H289 WeakPolarHBondContact O-CB 3.46Å; N286-H289 PolarHBondContact O-N 3.16Å; E287-H289 VanDerWaalsContact C-N 3.27Å; E287-H289 PolarHBondContact O-N 3.49Å; H289-T292 PolarHBondContact O-N 3.35Å; H289-Q293 WeakPolarHBondContact O-CB 3.33Å; H289-Q293 PolarHBondContact O-N 2.86Å
290E57.4Low55.6Low98 Ų98103 Ų10346%0.45855%0.55SS.*Hα-helixtrans-66.4-45.6175.9-169.8163.7-172.300112.3N286 E287 T292 Q293 I294N286-E290 PolarHBondContact O-N 2.87Å; E287-E290 PolarHBondContact O-N 2.93Å; E290-T292 VanDerWaalsContact C-N 3.33Å; E290-T292 PolarHBondContact O-N 3.28Å; E290-Q293 CarbonylContact O-C 3.58Å; E290-Q293 WeakPolarHBondContact O-CB 3.43Å; E290-Q293 PolarHBondContact O-N 2.9Å; E290-Q293 VanDerWaalsContact O-N 3.13Å; E290-I294 HydrophobicContact CG-CD1 4.09Å; E290-I294 VanDerWaalsContact O-CG1 3.25Å; E290-I294 WeakPolarHBondContact O-CG1 3.45Å; E290-I294 PolarHBondContact O-N 3.01Å
291L54.3Low57.3Low94 Ų9498.1 Ų98.149%0.49252%0.524SS..Hα-helixtrans-62.3-39.4172.6-71173.2000111.9E287 Q293 I294 I295E287-L291 WeakPolarHBondContact O-CB 3.2Å; E287-L291 VanDerWaalsContact O-CG 3.3Å; E287-L291 WeakPolarHBondContact O-CG 3.46Å; E287-L291 PolarHBondContact O-N 3.24Å; L291-Q293 VanDerWaalsContact C-N 3.3Å; L291-Q293 PolarHBondContact O-N 2.85Å; L291-I294 PolarHBondContact O-N 3.46Å; L291-I295 WeakPolarHBondContact O-CB 3.3Å; L291-I295 WeakPolarHBondContact O-CD1 3.17Å; L291-I295 WeakPolarHBondContact O-CG1 3.19Å; L291-I295 PolarHBondContact O-N 3.26Å
292T61.5Low59.1Low74 Ų7492.3 Ų92.345%0.45450%0.496SS..Hα-helixtrans-63.8-38.9174.8-59.40000111K288 H289 E290 I295 N296K288-T292 VanDerWaalsContact O-CB 3.3Å; K288-T292 WeakPolarHBondContact O-CB 3.5Å; K288-T292 PolarHBondContact O-N 3.14Å; K288-T292 PolarHBondContact O-OG1 2.87Å; H289-T292 PolarHBondContact O-N 3.35Å; E290-T292 VanDerWaalsContact C-N 3.33Å; E290-T292 PolarHBondContact O-N 3.28Å; T292-I295 PolarHBondContact O-N 3.3Å; T292-N296 WeakPolarHBondContact O-CB 3.45Å; T292-N296 PolarHBondContact O-N 2.92Å; T292-N296 PolarHBondContact O-ND2 3.15Å
293Q61Low61.1Low110 Ų11089 Ų8951%0.51447%0.47SS..Hα-helixtrans-68.4-44.1176.8-166.4163.1-0.100111.7H289 E290 L291 I295 N296 D297H289-Q293 WeakPolarHBondContact O-CB 3.33Å; H289-Q293 PolarHBondContact O-N 2.86Å; E290-Q293 CarbonylContact O-C 3.58Å; E290-Q293 WeakPolarHBondContact O-CB 3.43Å; E290-Q293 PolarHBondContact O-N 2.9Å; E290-Q293 VanDerWaalsContact O-N 3.13Å; L291-Q293 VanDerWaalsContact C-N 3.3Å; L291-Q293 PolarHBondContact O-N 2.85Å; Q293-I295 VanDerWaalsContact C-N 3.35Å; Q293-I295 PolarHBondContact O-N 2.79Å; Q293-N296 WeakPolarHBondContact O-CB 3.46Å; Q293-N296 PolarHBondContact O-N 2.84Å; Q293-N296 VanDerWaalsContact O-N 3.14Å; Q293-D297 WeakPolarHBondContact O-CB 3.48Å; Q293-D297 PolarHBondContact O-N 3.24Å
294I57.3Low62.6Low78 Ų7881.8 Ų81.840%0.444%0.438SS..Hα-helixtrans-61-42.3173.7-66.6163.7000111.2E290 L291 N296 D297 L298E290-I294 HydrophobicContact CG-CD1 4.09Å; E290-I294 VanDerWaalsContact O-CG1 3.25Å; E290-I294 WeakPolarHBondContact O-CG1 3.45Å; E290-I294 PolarHBondContact O-N 3.01Å; L291-I294 PolarHBondContact O-N 3.46Å; I294-N296 VanDerWaalsContact C-N 3.34Å; I294-D297 PolarHBondContact O-N 2.79Å; I294-L298 HydrophobicContact CG2-CD1 3.77Å; I294-L298 HydrophobicContact CG2-CG 4.35Å; I294-L298 WeakPolarHBondContact O-CB 3.15Å; I294-L298 VanDerWaalsContact O-CG 3.23Å; I294-L298 WeakPolarHBondContact O-CG 3.38Å; I294-L298 PolarHBondContact O-N 3.09Å
295I60.3Low64.6Low97 Ų9781.5 Ų81.550%0.49744%0.435SS..Hα-helixtrans-65.1-39.5175.6-69.5163.3000111L291 T292 Q293 G299L291-I295 WeakPolarHBondContact O-CB 3.3Å; L291-I295 WeakPolarHBondContact O-CD1 3.17Å; L291-I295 WeakPolarHBondContact O-CG1 3.19Å; L291-I295 PolarHBondContact O-N 3.26Å; T292-I295 PolarHBondContact O-N 3.3Å; Q293-I295 VanDerWaalsContact C-N 3.35Å; Q293-I295 PolarHBondContact O-N 2.79Å; I295-G299 PolarHBondContact O-N 2.78Å
296N61.1Low66.4Low54 Ų5479.3 Ų79.329%0.28942%0.418SS..Hα-helixtrans-63.1-44.5175.3-74.7-39.4000111.3K206 T292 Q293 I294 G299 E300K206-N296 WeakPolarHBondContact CE-OD1 3.41Å; K206-N296 PolarHBondContact NZ-OD1 2.85Å; T292-N296 WeakPolarHBondContact O-CB 3.45Å; T292-N296 PolarHBondContact O-N 2.92Å; T292-N296 PolarHBondContact O-ND2 3.15Å; Q293-N296 WeakPolarHBondContact O-CB 3.46Å; Q293-N296 PolarHBondContact O-N 2.84Å; Q293-N296 VanDerWaalsContact O-N 3.14Å; I294-N296 VanDerWaalsContact C-N 3.34Å; N296-G299 PolarHBondContact O-N 3.14Å; N296-E300 PolarHBondContact O-N 3.35Å; N296-E300 VanDerWaalsContact O-N 3.15Å
297D58.8Low68.1Low97 Ų9774.3 Ų74.352%0.51939%0.392SS..Hα-helixtrans-73.1-32.6-177.2-67.4-12.1000112.5K91 Q293 I294K91-D297 PolarHBondContact NZ-O 3.02Å; Q293-D297 WeakPolarHBondContact O-CB 3.48Å; Q293-D297 PolarHBondContact O-N 3.24Å; I294-D297 PolarHBondContact O-N 2.79Å
298L56.8Low69.8Low117 Ų11775.4 Ų75.461%0.61340%0.397SS*.Hα-helixtrans-72.7-34.8173.2-73.6170.4000112I294I294-L298 HydrophobicContact CG2-CD1 3.77Å; I294-L298 HydrophobicContact CG2-CG 4.35Å; I294-L298 WeakPolarHBondContact O-CB 3.15Å; I294-L298 VanDerWaalsContact O-CG 3.23Å; I294-L298 WeakPolarHBondContact O-CG 3.38Å; I294-L298 PolarHBondContact O-N 3.09Å
299G61.4Low71.3Confident39 Ų3973.8 Ų73.840%0.40240%0.398SS..Hα-helixtrans-77-26.5-17800000114.6I295 N296 M301I295-G299 PolarHBondContact O-N 2.78Å; N296-G299 PolarHBondContact O-N 3.14Å; G299-M301 PolarHBondContact O-N 3.11Å
300E75.8Confident72.9Confident99 Ų9967.6 Ų67.646%0.46337%0.369SS..SBendtrans-82.2115.6-177.5-167.8163.6-16400111.9K91 L202 N296 S302K91-E300 PolarHBondContact NZ-O 3.13Å; L202-E300 HydrophobicContact CD2-CB 4.31Å; N296-E300 PolarHBondContact O-N 3.35Å; N296-E300 VanDerWaalsContact O-N 3.15Å; E300-S302 PolarHBondContact O-N 2.81Å
301M83.4Confident74.3Confident7 Ų767.6 Ų67.63%0.03437%0.368CS..  trans-69.1131172.2-175.6177.371.200109.4I146 C149 L194 Y195 S198 G299I146-M301 HydrophobicContact CB-SD 4.07Å; I146-M301 HydrophobicContact CG2-CG 4.42Å; I146-M301 HydrophobicContact CG2-SD 3.51Å; I146-M301 VanDerWaalsContact CG2-SD 3.51Å; C149-M301 HydrophobicContact CB-CE 4.46Å; C149-M301 HydrophobicContact CB-SD 4.39Å; L194-M301 HydrophobicContact CB-CE 4.39Å; L194-M301 HydrophobicContact CD2-CE 4.29Å; L194-M301 HydrophobicContact CD2-SD 4.25Å; L194-M301 HydrophobicContact CG-CE 3.75Å; L194-M301 HydrophobicContact CG-SD 4.18Å; L194-M301 WeakPolarHBondContact O-CE 3.38Å; Y195-M301 HydrophobicContact CD2-CE 4.45Å; Y195-M301 WeakPolarHBondContact CE2-O 3.34Å; S198-M301 WeakPolarHBondContact OG-CE 3.48Å; G299-M301 PolarHBondContact O-N 3.11Å
302S85.6Confident75.9Confident31 Ų3166.5 Ų66.522%0.21737%0.373CS..EExtended strand (participates in β ladder)trans-90.4151.3177.251.50000111.4K91 T147 Y148 C149 E300K91-S302 WeakPolarHBondContact CB-OG 3.49Å; K91-S302 WeakPolarHBondContact CD-OG 3.34Å; K91-S302 VanDerWaalsContact CG-OG 3.23Å; K91-S302 WeakPolarHBondContact CG-OG 3.45Å; T147-S302 PolarHBondContact O-N 3.39Å; T147-S302 PolarHBondContact O-OG 3.44Å; T147-S302 VanDerWaalsContact O-OG 3.09Å; Y148-S302 VanDerWaalsContact CA-O 3.3Å; Y148-S302 WeakPolarHBondContact CA-O 3.46Å; Y148-S302 WeakPolarHBondContact CD2-O 3.41Å; Y148-S302 WeakPolarHBondContact CD2-OG 3.4Å; C149-S302 PolarHBondContact N-O 2.88Å; C149-S302 VanDerWaalsContact N-O 3.08Å; E300-S302 PolarHBondContact O-N 2.81Å
303I88.7Confident77.1Confident29 Ų2964.4 Ų64.415%0.14936%0.359CS..EExtended strand (participates in β ladder)trans-123.3132177.6-175.6167.8000109.4C149 A191 Y195 N305 V307 L310C149-I303 WeakPolarHBondContact O-CA 3.47Å; A191-I303 HydrophobicContact CB-CD1 4.42Å; Y195-I303 HydrophobicContact CD1-CG2 4.37Å; Y195-I303 HydrophobicContact CD2-CB 3.84Å; Y195-I303 HydrophobicContact CD2-CG2 3.72Å; Y195-I303 HydrophobicContact CE1-CG2 4.43Å; Y195-I303 HydrophobicContact CE2-CB 4.36Å; Y195-I303 HydrophobicContact CE2-CG2 3.8Å; Y195-I303 HydrophobicContact CG-CB 4.15Å; Y195-I303 HydrophobicContact CG-CD1 4.13Å; Y195-I303 HydrophobicContact CG-CG2 4.03Å; I303-N305 VanDerWaalsContact C-N 3.26Å; I303-N305 HydrophobicContact CD1-CB 4.46Å; I303-N305 HydrophobicContact CG1-CB 4.23Å; I303-N305 PolarHBondContact O-N 3.3Å; I303-V307 HydrophobicContact CG2-CG2 3.39Å; I303-L310 HydrophobicContact CD1-CD1 3.96Å
304G83.3Confident78.2Confident29 Ų2964.5 Ų64.530%0.29936%0.362SS..SBendtrans-77-11.9-17900000115.4Y148 C149Y148-G304 VanDerWaalsContact CE2-CA 3.49Å; Y148-G304 VanDerWaalsContact CZ-CA 3.41Å; Y148-G304 WeakPolarHBondContact OH-CA 3.27Å; C149-G304 PolarHBondContact O-N 3.03Å
305N86.8Confident79.6Confident29 Ų2966.5 Ų66.516%0.15536%0.364CS..SBendtrans-102.4149.4-178.3-59.393000109.9V150 A151 I303 V307 L310V150-N305 WeakPolarHBondContact CA-OD1 3.48Å; V150-N305 WeakPolarHBondContact CG2-OD1 3.4Å; A151-N305 PolarHBondContact N-OD1 2.8Å; A151-N305 PolarHBondContact O-ND2 2.88Å; I303-N305 VanDerWaalsContact C-N 3.26Å; I303-N305 HydrophobicContact CD1-CB 4.46Å; I303-N305 HydrophobicContact CG1-CB 4.23Å; I303-N305 PolarHBondContact O-N 3.3Å; N305-V307 PolarHBondContact O-N 2.86Å; N305-V307 VanDerWaalsContact O-N 3.09Å; N305-L310 HydrophobicContact CB-CD1 3.5Å; N305-L310 HydrophobicContact CB-CG 4.09Å
306D88.1Confident80.8Confident90 Ų9061.9 Ų61.948%0.48134%0.341SS..  trans-64.2114.6169.8174.530.9000110.8Q308 T309 L310D306-Q308 VanDerWaalsContact C-N 3.25Å; D306-Q308 PolarHBondContact O-N 2.8Å; D306-Q308 PolarHBondContact OD1-N 3.2Å; D306-Q308 VanDerWaalsContact OD1-N 3.08Å; D306-T309 PolarHBondContact O-N 3.36Å; D306-T309 WeakPolarHBondContact OD2-CB 3.5Å; D306-T309 PolarHBondContact OD2-N 2.79Å; D306-T309 PolarHBondContact OD2-OG1 3.49Å; D306-L310 WeakPolarHBondContact O-CG 3.44Å; D306-L310 PolarHBondContact O-N 2.83Å
307V87.1Confident81.9Confident21 Ų2161.2 Ų61.213%0.12734%0.339CS..Hα-helixtrans-61.7-35.5-179.21800000111.2L192 Y195 I303 N305 L310 K311L192-V307 HydrophobicContact CD1-CG1 4.22Å; Y195-V307 HydrophobicContact CD1-CG1 4.32Å; Y195-V307 HydrophobicContact CD1-CG2 4.07Å; Y195-V307 HydrophobicContact CE1-CG1 3.98Å; Y195-V307 HydrophobicContact CE1-CG2 3.69Å; I303-V307 HydrophobicContact CG2-CG2 3.39Å; N305-V307 PolarHBondContact O-N 2.86Å; N305-V307 VanDerWaalsContact O-N 3.09Å; V307-L310 PolarHBondContact O-N 3.43Å; V307-K311 HydrophobicContact CG1-CD 3.95Å; V307-K311 VanDerWaalsContact CG1-CE 3.49Å; V307-K311 HydrophobicContact CG1-CG 4.36Å; V307-K311 WeakPolarHBondContact O-CB 3.43Å; V307-K311 VanDerWaalsContact O-CG 3.27Å; V307-K311 WeakPolarHBondContact O-CG 3.27Å; V307-K311 PolarHBondContact O-N 3.23Å
308Q86.5Confident83.1Confident131 Ų13163.2 Ų63.261%0.61234%0.339SS*.Hα-helixtrans-69.8-47.2-178.5-61.3-59.4-16.500110.6D306 L310 K311 A312D306-Q308 VanDerWaalsContact C-N 3.25Å; D306-Q308 PolarHBondContact O-N 2.8Å; D306-Q308 PolarHBondContact OD1-N 3.2Å; D306-Q308 VanDerWaalsContact OD1-N 3.08Å; Q308-L310 VanDerWaalsContact C-N 3.31Å; Q308-L310 PolarHBondContact O-N 3.5Å; Q308-K311 PolarHBondContact O-N 3.12Å; Q308-A312 WeakPolarHBondContact O-CB 3.49Å; Q308-A312 PolarHBondContact O-N 3.22Å
309T88Confident84.4Confident90 Ų9059.8 Ų59.855%0.55232%0.321SS*.Hα-helixtrans-57.6-43.3173.3-63.20000111.8D306 K311 A312 D313D306-T309 PolarHBondContact O-N 3.36Å; D306-T309 WeakPolarHBondContact OD2-CB 3.5Å; D306-T309 PolarHBondContact OD2-N 2.79Å; D306-T309 PolarHBondContact OD2-OG1 3.49Å; T309-K311 PolarHBondContact O-N 3.28Å; T309-A312 PolarHBondContact O-N 3.49Å; T309-D313 PolarHBondContact O-N 2.94Å
310L87.3Confident85.5Confident6 Ų660.4 Ų60.43%0.03132%0.315CS..Hα-helixtrans-65.5-37.3177.8-73.3-176.7000113.1K188 L192 I303 N305 D306 V307 Q308K188-L310 HydrophobicContact CB-CD2 3.7Å; K188-L310 HydrophobicContact CD-CD2 3.88Å; K188-L310 HydrophobicContact CG-CD2 3.8Å; L192-L310 HydrophobicContact CB-CB 4.4Å; L192-L310 HydrophobicContact CB-CD1 4.23Å; L192-L310 HydrophobicContact CD1-CB 4.14Å; L192-L310 HydrophobicContact CD2-CB 4.15Å; L192-L310 HydrophobicContact CG-CB 4.46Å; I303-L310 HydrophobicContact CD1-CD1 3.96Å; N305-L310 HydrophobicContact CB-CD1 3.5Å; N305-L310 HydrophobicContact CB-CG 4.09Å; D306-L310 WeakPolarHBondContact O-CG 3.44Å; D306-L310 PolarHBondContact O-N 2.83Å; V307-L310 PolarHBondContact O-N 3.43Å; Q308-L310 VanDerWaalsContact C-N 3.31Å; Q308-L310 PolarHBondContact O-N 3.5Å
311K87Confident85.5Confident97 Ų9760.1 Ų60.142%0.42232%0.324SS..Hα-helixtrans-72-30.3175.6-75.1175.1179.2173.70112.5L192 V307 Q308 T309 T317L192-K311 HydrophobicContact CD1-CG 4.03Å; L192-K311 HydrophobicContact CD2-CG 4.13Å; V307-K311 HydrophobicContact CG1-CD 3.95Å; V307-K311 VanDerWaalsContact CG1-CE 3.49Å; V307-K311 HydrophobicContact CG1-CG 4.36Å; V307-K311 WeakPolarHBondContact O-CB 3.43Å; V307-K311 VanDerWaalsContact O-CG 3.27Å; V307-K311 WeakPolarHBondContact O-CG 3.27Å; V307-K311 PolarHBondContact O-N 3.23Å; Q308-K311 PolarHBondContact O-N 3.12Å; T309-K311 PolarHBondContact O-N 3.28Å; K311-T317 WeakPolarHBondContact O-CG2 3.39Å
312A87.3Confident84.7Confident72 Ų7262.1 Ų62.160%0.59535%0.347SS*.Hα-helixtrans-78.8-24.3178.100000113.2Q308 T309 L314Q308-A312 WeakPolarHBondContact O-CB 3.49Å; Q308-A312 PolarHBondContact O-N 3.22Å; T309-A312 PolarHBondContact O-N 3.49Å; A312-L314 PolarHBondContact O-N 3.35Å
313D87.7Confident83.4Confident30 Ų3068.5 Ų68.516%0.1637%0.373CS..  trans-66.6106.3177.9-168.7-23.3000110.6T309 R315 V316 T317T309-D313 PolarHBondContact O-N 2.94Å; D313-R315 PolarHBondContact O-N 3.4Å; D313-R315 VanDerWaalsContact O-N 3.15Å; D313-R315 WeakPolarHBondContact OD1-CB 3.12Å; D313-R315 PolarHBondContact OD1-N 2.91Å; D313-R315 IonicContact OD1-NE 2.74Å; D313-R315 PolarHBondContact OD1-NE 2.8Å; D313-R315 IonicContact OD1-NH2 2.94Å; D313-R315 IonicContact OD2-CZ 3.42Å; D313-R315 IonicContact OD2-NE 3.21Å; D313-R315 IonicContact OD2-NH2 2.78Å; D313-R315 PolarHBondContact OD2-NH2 2.83Å; D313-V316 HydrophobicContact CB-CB 4.13Å; D313-V316 HydrophobicContact CB-CG2 3.95Å; D313-V316 WeakPolarHBondContact O-CB 3.41Å; D313-V316 PolarHBondContact O-N 3.31Å; D313-T317 PolarHBondContact O-N 3.32Å; D313-T317 PolarHBondContact O-OG1 3.38Å
314L84.7Confident81.4Confident111 Ų11170.3 Ų70.358%0.58139%0.388SS*.Hα-helixtrans-58-28.2-180-66.1176.6000113A312 T317 R318A312-L314 PolarHBondContact O-N 3.35Å; L314-T317 VanDerWaalsContact CA-OG1 3.31Å; L314-T317 WeakPolarHBondContact CA-OG1 3.39Å; L314-T317 PolarHBondContact O-OG1 2.71Å; L314-R318 VanDerWaalsContact O-CB 3.31Å; L314-R318 WeakPolarHBondContact O-CB 3.46Å; L314-R318 WeakPolarHBondContact O-CD 3.29Å; L314-R318 WeakPolarHBondContact O-CG 3.24Å; L314-R318 PolarHBondContact O-N 2.87Å
315R85.7Confident79.6Confident120 Ų12075.3 Ų75.345%0.45341%0.413SS..Hα-helixtrans-73.9-36.1179.5-56.4172.9-62.9160.58.9110.7E185 D313 L319E185-R315 HydrophobicContact CB-CB 4.44Å; E185-R315 HydrophobicContact CG-CB 3.86Å; E185-R315 IonicContact OE1-CZ 2.82Å; E185-R315 IonicContact OE1-NH1 3.51Å; E185-R315 PolarHBondContact OE1-NH1 3.23Å; E185-R315 IonicContact OE1-NH2 3.31Å; D313-R315 PolarHBondContact O-N 3.4Å; D313-R315 VanDerWaalsContact O-N 3.15Å; D313-R315 WeakPolarHBondContact OD1-CB 3.12Å; D313-R315 PolarHBondContact OD1-N 2.91Å; D313-R315 IonicContact OD1-NE 2.74Å; D313-R315 PolarHBondContact OD1-NE 2.8Å; D313-R315 IonicContact OD1-NH2 2.94Å; D313-R315 IonicContact OD2-CZ 3.42Å; D313-R315 IonicContact OD2-NE 3.21Å; D313-R315 IonicContact OD2-NH2 2.78Å; D313-R315 PolarHBondContact OD2-NH2 2.83Å; R315-L319 VanDerWaalsContact O-CG 3.3Å; R315-L319 WeakPolarHBondContact O-CG 3.03Å; R315-L319 PolarHBondContact O-N 3.45Å
316V85Confident77.4Confident0 Ų076.6 Ų76.60%043%0.433CS..Hα-helixtrans-69.4-47.9175.51710000110K188 A189 L192 D313 R318 L319 L320K188-V316 HydrophobicContact CB-CG2 3.73Å; K188-V316 HydrophobicContact CD-CG2 4.44Å; A189-V316 HydrophobicContact CB-CG1 3.9Å; L192-V316 HydrophobicContact CD2-CG1 3.93Å; D313-V316 HydrophobicContact CB-CB 4.13Å; D313-V316 HydrophobicContact CB-CG2 3.95Å; D313-V316 WeakPolarHBondContact O-CB 3.41Å; D313-V316 PolarHBondContact O-N 3.31Å; V316-R318 PolarHBondContact O-N 2.79Å; V316-L319 WeakPolarHBondContact O-CB 3.37Å; V316-L319 PolarHBondContact O-N 3.11Å; V316-L320 HydrophobicContact CG1-CD1 4.29Å; V316-L320 WeakPolarHBondContact O-CG 3.48Å; V316-L320 PolarHBondContact O-N 3.43Å
317T84.8Confident75Confident41 Ų4178 Ų7825%0.25245%0.45SS..Hα-helixtrans-65.4-40.1-178.9540000112.5K311 D313 L314 L319 L320 S321K311-T317 WeakPolarHBondContact O-CG2 3.39Å; D313-T317 PolarHBondContact O-N 3.32Å; D313-T317 PolarHBondContact O-OG1 3.38Å; L314-T317 VanDerWaalsContact CA-OG1 3.31Å; L314-T317 WeakPolarHBondContact CA-OG1 3.39Å; L314-T317 PolarHBondContact O-OG1 2.71Å; T317-L319 VanDerWaalsContact C-N 3.29Å; T317-L319 PolarHBondContact O-N 3Å; T317-L320 PolarHBondContact O-N 3.29Å; T317-L320 VanDerWaalsContact O-N 3.08Å; T317-S321 PolarHBondContact O-N 3.02Å; T317-S321 PolarHBondContact O-OG 3.23Å; T317-S321 VanDerWaalsContact O-OG 3.07Å
318R85.2Confident73.2Confident138 Ų13885.8 Ų85.852%0.52149%0.485SS..Hα-helixtrans-58.1-38.3173.3-77174.1-170.3169.94.9113.2L314 V316 L320 S321 G322L314-R318 VanDerWaalsContact O-CB 3.31Å; L314-R318 WeakPolarHBondContact O-CB 3.46Å; L314-R318 WeakPolarHBondContact O-CD 3.29Å; L314-R318 WeakPolarHBondContact O-CG 3.24Å; L314-R318 PolarHBondContact O-N 2.87Å; V316-R318 PolarHBondContact O-N 2.79Å; R318-L320 VanDerWaalsContact C-N 3.32Å; R318-S321 PolarHBondContact O-N 3.01Å; R318-G322 PolarHBondContact O-N 3.2Å
319L84Confident70.9Confident45 Ų4584.6 Ų84.624%0.23649%0.491CS..Hα-helixtrans-67.2-33.9176.5-72172.5000112.2E185 K186 A189 R315 V316 T317E185-L319 HydrophobicContact CB-CD1 3.82Å; K186-L319 HydrophobicContact CG-CD1 4.01Å; A189-L319 HydrophobicContact CB-CB 4.35Å; A189-L319 HydrophobicContact CB-CD1 4.38Å; R315-L319 VanDerWaalsContact O-CG 3.3Å; R315-L319 WeakPolarHBondContact O-CG 3.03Å; R315-L319 PolarHBondContact O-N 3.45Å; V316-L319 WeakPolarHBondContact O-CB 3.37Å; V316-L319 PolarHBondContact O-N 3.11Å; T317-L319 VanDerWaalsContact C-N 3.29Å; T317-L319 PolarHBondContact O-N 3Å
320L83Confident68.6Low52 Ų5285.5 Ų85.527%0.27250%0.501SS..Hα-helixtrans-79.3-30.3177.8-62.6178.1000112.6A189 L192 L193 V316 T317 R318 G322A189-L320 HydrophobicContact CB-CD2 4.08Å; A189-L320 HydrophobicContact CB-CG 4.3Å; L192-L320 HydrophobicContact CD2-CD1 3.92Å; L192-L320 HydrophobicContact CG-CD1 4.4Å; L193-L320 HydrophobicContact CB-CD2 3.89Å; L193-L320 HydrophobicContact CD1-CD2 4.3Å; L193-L320 HydrophobicContact CD2-CD2 4.4Å; L193-L320 HydrophobicContact CG-CD2 4.42Å; V316-L320 HydrophobicContact CG1-CD1 4.29Å; V316-L320 WeakPolarHBondContact O-CG 3.48Å; V316-L320 PolarHBondContact O-N 3.43Å; T317-L320 PolarHBondContact O-N 3.29Å; T317-L320 VanDerWaalsContact O-N 3.08Å; R318-L320 VanDerWaalsContact C-N 3.32Å; L320-G322 VanDerWaalsContact C-N 3.27Å; L320-G322 PolarHBondContact O-N 3.32Å
321S77.1Confident66.3Low94 Ų9491.2 Ų91.266%0.65753%0.53SS*.THydrogen-bonded Turntrans-79.2-3.9179.4-59.20000114.4T317 R318 E323T317-S321 PolarHBondContact O-N 3.02Å; T317-S321 PolarHBondContact O-OG 3.23Å; T317-S321 VanDerWaalsContact O-OG 3.07Å; R318-S321 PolarHBondContact O-N 3.01Å; S321-E323 VanDerWaalsContact C-N 3.28Å; S321-E323 PolarHBondContact O-N 3.28Å
322G66.2Low63.9Low49 Ų4994.8 Ų94.851%0.50555%0.549SS..THydrogen-bonded Turntrans74.413176.500000114.7R318 L320 S324R318-G322 PolarHBondContact O-N 3.2Å; L320-G322 VanDerWaalsContact C-N 3.27Å; L320-G322 PolarHBondContact O-N 3.32Å; G322-S324 PolarHBondContact O-N 3.47Å
323E57.4Low61.6Low164 Ų16496 Ų9677%0.76655%0.553SS**  trans-79.5-4-179.7-155.3176.9146.100112.8S321S321-E323 VanDerWaalsContact C-N 3.28Å; S321-E323 PolarHBondContact O-N 3.28Å
324S46.6Very low59.2Low67 Ų67100.8 Ų100.847%0.46958%0.578SS.*  trans-131.561.6-173.7-178.30000112.8G322G322-S324 PolarHBondContact O-N 3.47Å
325T45.8Very low56.9Low134 Ų134104.7 Ų104.782%0.82259%0.594SS**  trans-12648162.866.40000111.3
326G40.2Very low54.3Low57 Ų57107.3 Ų107.359%0.58861%0.611SS**  trans-110.7138.9151.100000107.1
327S39.1Very low51.8Low118 Ų118117.3 Ų117.383%0.82566%0.655SS**  trans86.975.1178-42.80000115.9
328E48Very low49.3Very low185 Ų185121.5 Ų121.586%0.86468%0.681SS**  29.2128.5113-38.6-178.9152.100117.8
329S39.1Very low46.8Very low106 Ų106120.7 Ų120.774%0.74169%0.693SS**  trans-150.187.2142.669.10000108.4
330S39.1Very low44.3Very low109 Ų109126.8 Ų126.876%0.76273%0.725SS**  trans-46.3131161.1-56.10000109.5E332S330-E332 PolarHBondContact O-N 3.4Å
331I40.3Very low42Very low126 Ų126129.8 Ų129.865%0.64675%0.75SS**  trans-77.299.2164.560.7108.9000105.9S333I331-S333 PolarHBondContact O-N 3.28Å
332E36Very low39.9Very low172 Ų172133 Ų13380%0.80476%0.76SS**  trans-80.6103.6173.9-160.1167-161.100107.7S330 N334S330-E332 PolarHBondContact O-N 3.4Å; E332-N334 PolarHBondContact O-N 3.38Å
333S39.8Very low38.3Very low97 Ų97134.4 Ų134.468%0.67878%0.775SS**  trans-8395.6169.547.90000108.4I331I331-S333 PolarHBondContact O-N 3.28Å
334N36.3Very low37.2Very low132 Ų132134.9 Ų134.971%0.70678%0.782SS**  trans-142.394.5160.6-90.5-25.5000108.5E332E332-N334 PolarHBondContact O-N 3.38Å
335Q36.5Very low36.6Very low192 Ų192134.8 Ų134.890%0.89779%0.791SS**  trans-132.881.8158.5-135.8171.427.700106.4F337Q335-F337 PolarHBondContact O-N 3.48Å
336E31.3Very low36Very low176 Ų176137.8 Ų137.882%0.82280%0.796SS**PPolyproline II helixtrans-65.4124.7164.5-83.4179.3144.900108.6T338E336-T338 PolarHBondContact O-N 3.36Å
337F31.5Very low35.8Very low209 Ų209141.5 Ų141.592%0.91781%0.807SS**PPolyproline II helixtrans-61.3119.4166.1-90.8-104.4000109.4Q335Q335-F337 PolarHBondContact O-N 3.48Å
338T32.9Very low35.6Very low129 Ų129145.2 Ų145.279%0.79181%0.808SS**PPolyproline II helixtrans-103.3124.4160.721.50000108.9E336E336-T338 PolarHBondContact O-N 3.36Å
339P33.3Very low35Very low121 Ų121143.2 Ų143.279%0.78681%0.808SS**PPolyproline II helixtrans-81122.2173.630.3-28.5000109.5S341P339-S341 PolarHBondContact O-N 3.26Å
340L31.8Very low34.9Very low174 Ų174145.6 Ų145.691%0.91181%0.812SS**  trans-73.6107.6168-82.8155.1000108.7
341S33.8Very low34.5Very low114 Ų114148.4 Ų148.480%0.79781%0.813SS**  trans-75.5125.5167.9500000109.9P339 G343P339-S341 PolarHBondContact O-N 3.26Å; S341-G343 PolarHBondContact O-N 3.32Å
342N33Very low34.2Very low161 Ų161149.3 Ų149.386%0.86182%0.824SS**  trans-70.4109.4169.4-82.2-19.3000109.5
343G31.9Very low34.2Very low79 Ų79149.3 Ų149.381%0.81485%0.854SS**  trans-86101164.700000110.4S341 G345S341-G343 PolarHBondContact O-N 3.32Å; G343-G345 PolarHBondContact O-N 3.26Å
344L34.3Very low34Very low174 Ų174152 Ų15291%0.91186%0.862SS**  trans-73.7104163.9-92151.5000108.3
345G34.4Very low33.9Very low65 Ų65153 Ų15367%0.6787%0.871SS**  trans-83.7120.9168.900000110.6G343 V347G343-G345 PolarHBondContact O-N 3.26Å; G345-V347 PolarHBondContact O-N 3.48Å
346E33.9Very low33.7Very low198 Ų198150.8 Ų150.893%0.92587%0.869SS**  trans-53.5127.8167.8-71.3174126.500111.2
347V36.6Very low33.8Very low135 Ų135149.4 Ų149.482%0.81887%0.872SS**  trans-114.8116.1163.1178.10000107.8G345G345-V347 PolarHBondContact O-N 3.48Å
348K33.8Very low34Very low196 Ų196145.6 Ų145.685%0.85287%0.869SS**  trans-51.6130.2173.6-84.9172.7169175.50111.5
349V35.9Very low34.1Very low142 Ų142146.7 Ų146.786%0.86187%0.874SS**  trans-83.2126.7160.1177.20000107.9
350L36Very low34.1Very low156 Ų156148.6 Ų148.682%0.81788%0.881SS**  trans-142.5116.1160.3-131.4146.7000108
351E32.3Very low34.3Very low169 Ų169146.6 Ų146.679%0.7988%0.878SS**  trans-17.6148.5166.9-94.5167.811900118.1
352V32.7Very low34.3Very low144 Ų144149.3 Ų149.387%0.87389%0.885SS**  -170.1132.2104.7172.80000110
353A37.3Very low34.5Very low173 Ų173148.3 Ų148.3100%1.4389%0.887SS**  trans126.30153.200000114.4

Retrieved 353 of 353 residues in 750.2 ms (Link to these results)