A0A3Q0KQN1_SCHMA Loading...

Rna-binding protein musashi-related

AlphaFold DB (A0A5K4ET69), UniProt , Accession A0A3Q0KQN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 346 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
1M45.2Very low57.1Low234 Ų234158.5 Ų158.5100%1.15389%0.885SS**  0162.20-76-178.617100108.5
2T56.8Low57.6Low148 Ų148156.1 Ų156.191%0.90888%0.881SS**  trans59.6149.3-157.670.20000113.5
3L58.5Low57.8Low171 Ų171151.2 Ų151.290%0.89586%0.863SS**  trans-137.2133.8-161.5-77.6162.3000110.9
4N51.9Low57.9Low169 Ų169150.4 Ų150.490%0.90486%0.855SS**  trans-70.6143.4161.6-77.6-6000109.6
5R68.9Low58Low238 Ų238150.3 Ų150.390%0.89885%0.851SS**  trans-129.8120.6173-147.1175.3-162.3-108.33.7109.9
6P58.5Low57.9Low121 Ų121147.3 Ų147.379%0.78684%0.843SS**PPolyproline II helixtrans-82.7167.5-177.633.4-35.3000113
7K55.6Low57.9Low197 Ų197144.2 Ų144.286%0.85784%0.839SS**PPolyproline II helixtrans-86.9137178.8178.2-175.1-179.9-175.10111.4
8P64.5Low57.9Low119 Ų119144.3 Ų144.377%0.77384%0.841SS**PPolyproline II helixtrans-96.4162.816636.6-31.9000112.7
9S50Low57.9Low121 Ų121140.4 Ų140.485%0.84684%0.836SS**  trans-134.5144.2171.651.40000109.5
10A66.2Low57.8Low107 Ų107140.6 Ų140.688%0.88483%0.832SS**  trans-142.6158.1175.200000110.6
11S51.6Low58.2Low119 Ų119142.7 Ų142.783%0.83284%0.836SS**  trans-135.2167.7-169.650.10000111.2
12P63.4Low58.8Low129 Ų129138.8 Ų138.884%0.83882%0.82SS**  trans-104.1168.5-156.839.8-36.6000115.8
13S60.1Low59Low92 Ų92135.8 Ų135.864%0.64381%0.805SS**  trans-162.9160.8159.969.30000112.4
14D59Low58.5Low141 Ų141135.2 Ų135.275%0.75480%0.803SS**  trans65.8149.5149.4-43.9-29.2000120.1
15D59.4Low58.3Low148 Ų148130.4 Ų130.479%0.79179%0.793SS**  cis-157.7-159.9-17.9-143.2-51.8000112.2
16S56.2Low57.3Low103 Ų103125.1 Ų125.172%0.7279%0.787SS**  trans-110.2157.3-155.952.90000119.6
17A58.1Low56.8Low94 Ų94124.1 Ų124.178%0.77778%0.783SS**  trans174.3126.2153.500000110.1
18V58.3Low56.2Low146 Ų146120.2 Ų120.289%0.88578%0.776SS**  88.8127.454.4174.40000114.9
19G58.6Low55.2Low71 Ų71120.7 Ų120.773%0.73278%0.777SS**  trans168.1137.7171.500000114.2
20D54.4Low55Low144 Ų144119.5 Ų119.577%0.7777%0.769SS**  trans-128172.4-159.3-66.6-80000117.7
21M67.7Low54.3Low185 Ų185120 Ų12091%0.91177%0.765SS**  trans78.4150.2161.5-51-158-177.900117.8
22N58Low54.4Low151 Ų151118.8 Ų118.881%0.80776%0.757SS**  cis-146.5-16232.8-164.35.8000114.3
23S59.7Low53.6Low85 Ų85120.6 Ų120.659%0.59476%0.76SS**  trans-134-170.3-143.562.10000118.5
24N48.6Very low52.9Low160 Ų160120 Ų12086%0.85677%0.768SS**  trans85.1143.8179.2-51.6-34000115.6
25G48.6Very low52.1Low68 Ų68122.9 Ų122.970%0.70178%0.777SS**  cis129.2141.37.600000110.1
26T46.8Very low51.3Low127 Ų127121 Ų12178%0.77978%0.782SS**  cis-167.21536.2-47.60000109.6
27S47.4Very low50.6Low100 Ų100124 Ų12470%0.69979%0.789SS**  trans59.6154.715251.90000121.5
28T43.5Very low50.2Low115 Ų115125.4 Ų125.471%0.70679%0.791SS**  cis-170160.8-15.3270000110
29T44.5Very low49.8Very low128 Ų128123.9 Ų123.979%0.78579%0.785SS**  trans62152.5151.247.70000120.2
30S45.2Very low48.8Very low97 Ų97129.8 Ų129.868%0.67879%0.793SS**  cis-176.2150.9-19.551.50000111
31S50.9Low47.8Very low116 Ų116128.7 Ų128.781%0.81179%0.792SS**  trans68.1153.4158.5-60.10000118
32S54.4Low46.4Very low94 Ų94125.9 Ų125.966%0.65779%0.785SS**  cis-168.8144.6-1547.20000112
33N45.9Very low45.2Very low168 Ų168123.4 Ų123.490%0.89878%0.78SS**  trans57.6135.9148.9-54.4-2.7000121.2
34G45.6Very low44Very low79 Ų79125 Ų12581%0.81479%0.786SS**  trans16879.517000000113.9
35E41.8Very low43.2Very low202 Ų202123 Ų12394%0.94478%0.78SS**  trans-81.2140175.6-68.3171.179.800112.7
36A42.5Very low42.7Very low108 Ų108125.5 Ų125.589%0.89378%0.782SS**  trans-161.9128.2149.400000110.7
37L41.5Very low42.7Very low167 Ų167125.5 Ų125.587%0.87478%0.782SS**  trans-123.2128.5173.8178.271.9000109
38C50.1Low42.5Very low122 Ų122129.2 Ų129.282%0.82479%0.788SS**  trans-152.9159.6168.3-97.20000111.6
39P51Low42.5Very low114 Ų114129.5 Ų129.574%0.7480%0.795SS**  trans-113.9-166.8-152.342.8-34.2000115.7
40E36.4Very low42.6Very low195 Ų195131.4 Ų131.491%0.91180%0.799SS**  trans-48.5148.9-177.8-64.6170.374.900116.7
41T34.3Very low42.8Very low121 Ų121131.8 Ų131.874%0.74280%0.798SS**  trans-150.8145.1173.1-26.70000114.1
42T38.3Very low42.8Very low126 Ų126134.6 Ų134.677%0.77380%0.798SS**  trans65.991.2153.530.40000121.4
43S32.5Very low42.5Very low99 Ų99136 Ų13669%0.69281%0.808SS**  trans-33.4161.3133.960.10000119.7
44T34Very low42Very low118 Ų118138 Ų13872%0.72480%0.804SS**  trans96.1114140.3-570000120.9
45T32.7Very low41.8Very low119 Ų119139.6 Ų139.673%0.7380%0.798SS**  trans68.7139.4150.3-59.60000117.3
46T37.3Very low41.7Very low120 Ų120138.5 Ų138.574%0.73679%0.79SS**  cis-117-145.117.4-21.60000110.9
47T46.8Very low41.9Very low128 Ų128140.8 Ų140.879%0.78579%0.787SS**  cis-148.8175.810.9-29.90000111.7
48E43.8Very low41.8Very low178 Ų178136.7 Ų136.783%0.83278%0.777SS**  trans-70.9141.4-171.7-63.4161.4168.400117.2
49S43.3Very low41.6Very low121 Ų121138.8 Ų138.885%0.84678%0.779SS**  -161.2145.911311.20000111.2
50L46.9Very low41.2Very low167 Ų167139 Ų13987%0.87478%0.778SS**  trans-90.2163.1176.5-64.4162.8000108.8
51T49.8Very low41.2Very low106 Ų106138.6 Ų138.665%0.6577%0.774SS**  cis-159161.447.343.60000114.1
52E50.3Low41.3Very low174 Ų174143.3 Ų143.381%0.81378%0.778SS**  trans56.3138.1143.9-70.9156.1-129.200121.2
53S48.3Very low41.3Very low123 Ų123145.7 Ų145.786%0.8678%0.78SS**  cis-156.7177.3-1.354.40000111
54Y35.5Very low41.4Very low212 Ų212147.1 Ų147.183%0.83179%0.785SS**  trans-134.2154-161.6-176.7-110.9000114.4
55T40.2Very low41.7Very low112 Ų112146.3 Ų146.369%0.68778%0.784SS**  trans68.8159.2-173.576.90000115.1
56K40.5Very low42.2Very low179 Ų179147.5 Ų147.578%0.77879%0.785SS**  cis-158.5167.221.5-153.4176.4-176.2174.90111.7
57L46.8Very low42.2Very low155 Ų155147.6 Ų147.681%0.81279%0.785SS**  trans71.6119.8170.8-55.5151.3000114.3
58A38.8Very low42.1Very low82 Ų82147.7 Ų147.768%0.67878%0.78SS**  cis94.4112.929.100000115.3
59L46.2Very low41.8Very low165 Ų165147.4 Ų147.486%0.86478%0.779SS**  trans46.8118.6146.9-66.7153.4000119.4
60T41.9Very low41.6Very low118 Ų118144.5 Ų144.572%0.72476%0.758SS**  165.9112.9107.9-72.70000114.7
61K36.6Very low41.4Very low188 Ų188142.4 Ų142.482%0.81775%0.752SS**  trans60157.9151.7-72.7176.5176.31730121.4
62R37.7Very low41.4Very low220 Ų220139.2 Ų139.283%0.8374%0.737SS**  trans79.8110.6159.6-75.4169.6178.7149.5-3.1119
63Q37.8Very low41.6Very low175 Ų175136 Ų13682%0.81873%0.726SS**  74.856.1120.4-160.3172.9-17.300117.5
64T33.3Very low42.2Very low129 Ų129132.6 Ų132.679%0.79170%0.702SS**  trans-9288.2157.540.80000110.5L66T64-L66 PolarHBondContact O-N 3Å
65S41.4Very low43.8Very low101 Ų101128.6 Ų128.671%0.70669%0.694SS**  trans-64.8100.915850.20000107.8V67S65-V67 PolarHBondContact O-N 3.45Å
66L43.9Very low45.7Very low144 Ų144124.9 Ų124.975%0.75467%0.67SS**  trans-64.299.5175.8-75.6171.8000109.1T64 I68T64-L66 PolarHBondContact O-N 3Å; L66-I68 HydrophobicContact CB-CG1 4.11Å; L66-I68 PolarHBondContact O-N 3.06Å
67V36.2Very low47.8Very low122 Ų122121.3 Ų121.374%0.73967%0.666SS**  trans-67.987.9158.9-179.20000105.5S65 E69S65-V67 PolarHBondContact O-N 3.45Å; V67-E69 HydrophobicContact CG1-CB 4.44Å; V67-E69 PolarHBondContact O-N 2.65Å
68I45.5Very low49.8Very low130 Ų130114.2 Ų114.267%0.66763%0.629SS**  trans-71.683.4168.8-56.7-179.9000105.8L66 S70L66-I68 HydrophobicContact CB-CG1 4.11Å; L66-I68 PolarHBondContact O-N 3.06Å; I68-S70 PolarHBondContact O-N 2.93Å; I68-S70 PolarHBondContact O-OG 3.28Å
69E36.4Very low52.4Low173 Ų173111.4 Ų111.481%0.80860%0.602SS**  trans-72.567.9166.1-166.4155.6-127.100107.6V67 T71V67-E69 HydrophobicContact CG1-CB 4.44Å; V67-E69 PolarHBondContact O-N 2.65Å; E69-T71 PolarHBondContact O-N 3.04Å
70S39.5Very low54.7Low60 Ų60103.5 Ų103.542%0.4256%0.561SS.*  trans-62.7106.1178.631.50000108I68 A72 E106I68-S70 PolarHBondContact O-N 2.93Å; I68-S70 PolarHBondContact O-OG 3.28Å; S70-A72 PolarHBondContact O-N 3.48Å; S70-E106 PolarHBondContact OG-OE1 3.37Å
71T42.4Very low57.2Low122 Ų122100.9 Ų100.975%0.74854%0.539SS*.  trans-60.583.4158.549.50000106.9E69 D73E69-T71 PolarHBondContact O-N 3.04Å; T71-D73 PolarHBondContact O-N 2.71Å
72A51Low59.9Low40 Ų4091.9 Ų91.933%0.33150%0.5SS..  trans-73.979.5-171.800000109.2S70 S74S70-A72 PolarHBondContact O-N 3.48Å; A72-S74 PolarHBondContact O-N 3.23Å
73D53.1Low62.7Low107 Ų10781.7 Ų81.757%0.57246%0.463SS*.  trans-47.1110.8174.3-76.9-47.3000108.2T71 N75 D76T71-D73 PolarHBondContact O-N 2.71Å; D73-N75 PolarHBondContact O-N 2.85Å; D73-D76 PolarHBondContact O-N 3.09Å
74S61.6Low65.3Low51 Ų5174.6 Ų74.636%0.35744%0.438SS..THydrogen-bonded Turntrans-71.610.7-161.851.70000113.7A72 P155 R156A72-S74 PolarHBondContact O-N 3.23Å; S74-P155 WeakPolarHBondContact O-CA 3.19Å; S74-P155 WeakPolarHBondContact O-CB 3.36Å; S74-R156 VanDerWaalsContact CB-O 3.31Å; S74-R156 WeakPolarHBondContact CB-O 3.43Å; S74-R156 PolarHBondContact OG-O 2.73Å
75N68.7Low68.3Low127 Ų12768.5 Ų68.568%0.67940%0.4SS*.THydrogen-bonded Turntrans-138.216.5-168.4-157.466.3000113.1D73 P77D73-N75 PolarHBondContact O-N 2.85Å; N75-P77 WeakPolarHBondContact O-CD 3.39Å
76D81.2Confident70.8Confident35 Ų3564.5 Ų64.519%0.18737%0.372CS..  trans-52.7119.3168.6-78.3-53.1000110.4D73 G78 K79 R105 T125D73-D76 PolarHBondContact O-N 3.09Å; D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.97Å; D76-K79 HydrophobicContact CB-CB 3.87Å; D76-K79 HydrophobicContact CB-CD 4.34Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 2.25Å; D76-K79 VanDerWaalsContact O-N 3.16Å; D76-K79 IonicContact OD2-NZ 2.73Å; D76-K79 PolarHBondContact OD2-NZ 3.42Å; D76-R105 IonicContact OD1-NH1 2.59Å; D76-R105 PolarHBondContact OD1-NH1 3.34Å; D76-T125 HydrophobicContact CB-CG2 4.05Å
77P84.3Confident73.1Confident104 Ų10461.8 Ų61.868%0.67536%0.363SS*.THydrogen-bonded Turntrans-69.8-23.4-179.827.6-34.5000113N75 K79 P129N75-P77 WeakPolarHBondContact O-CD 3.39Å; P77-K79 PolarHBondContact O-N 2.51Å; P77-P129 HydrophobicContact CB-CB 4.43Å
78G89Confident75.7Confident5 Ų561 Ų615%0.05236%0.358CS..THydrogen-bonded Turntrans-74.62.3173.100000114.7D76 T125 F126D76-G78 VanDerWaalsContact C-N 3.27Å; D76-G78 PolarHBondContact O-N 2.97Å; G78-T125 WeakPolarHBondContact O-CA 3.45Å; G78-F126 PolarHBondContact O-N 3.35Å
79K92.6Very high78Confident23 Ų2354.8 Ų54.810%0.133%0.327CS..EExtended strand (participates in β ladder)trans-91127.8-170.6-155.5174.8-136.275.10112.4D76 P77 E106 I124 T125 A153D76-K79 HydrophobicContact CB-CB 3.87Å; D76-K79 HydrophobicContact CB-CD 4.34Å; D76-K79 WeakPolarHBondContact O-CB 3.31Å; D76-K79 PolarHBondContact O-N 2.25Å; D76-K79 VanDerWaalsContact O-N 3.16Å; D76-K79 IonicContact OD2-NZ 2.73Å; D76-K79 PolarHBondContact OD2-NZ 3.42Å; P77-K79 PolarHBondContact O-N 2.51Å; K79-E106 IonicContact NZ-OE2 3.97Å; K79-E106 PolarHBondContact NZ-OE2 3Å; K79-I124 CarbonylContact C-O 3.6Å; K79-I124 VanDerWaalsContact CA-O 3.29Å; K79-I124 WeakPolarHBondContact CA-O 3.27Å; K79-T125 HydrophobicContact CB-CG2 4.46Å; K79-T125 PolarHBondContact NZ-OG1 2.96Å; K79-A153 HydrophobicContact CB-CB 3.91Å; K79-A153 HydrophobicContact CD-CB 4.37Å; K79-A153 HydrophobicContact CG-CB 3.88Å; K79-A153 WeakPolarHBondContact O-CB 3.3Å; K79-A153 PolarHBondContact O-N 3.14Å
80M94Very high80.7Confident0 Ų050 Ų500%031%0.31CS..EExtended strand (participates in β ladder)trans-117.8144.5175.7-56.1-167.78000111.8I82 F123 I124 F126 V132 V135 L136 P150 K151M80-I82 HydrophobicContact CB-CD1 4.01Å; M80-F123 VanDerWaalsContact O-CA 3.3Å; M80-F123 WeakPolarHBondContact O-CA 3.48Å; M80-I124 HydrophobicContact CB-CD1 4.36Å; M80-I124 HydrophobicContact CB-CG1 3.82Å; M80-I124 HydrophobicContact CG-CG1 4.41Å; M80-I124 PolarHBondContact N-O 3.49Å; M80-I124 PolarHBondContact O-N 3.43Å; M80-I124 HydrophobicContact SD-CD1 4.49Å; M80-F126 HydrophobicContact SD-CD2 4.42Å; M80-F126 HydrophobicContact SD-CE2 3.88Å; M80-V132 HydrophobicContact CE-CG1 3.93Å; M80-V132 HydrophobicContact CG-CB 4.36Å; M80-V132 HydrophobicContact CG-CG1 3.84Å; M80-V132 HydrophobicContact CG-CG2 3.96Å; M80-V132 HydrophobicContact SD-CB 4.26Å; M80-V132 HydrophobicContact SD-CG1 3.91Å; M80-V132 HydrophobicContact SD-CG2 4.3Å; M80-V135 HydrophobicContact CE-CB 4.08Å; M80-V135 HydrophobicContact CE-CG1 3.69Å; M80-V135 HydrophobicContact SD-CB 3.9Å; M80-V135 HydrophobicContact SD-CG1 3.81Å; M80-V135 HydrophobicContact SD-CG2 4.25Å; M80-L136 HydrophobicContact CE-CD2 3.77Å; M80-L136 HydrophobicContact CE-CG 3.86Å; M80-P150 HydrophobicContact CE-CB 4.01Å; M80-K151 CarbonylContact C-O 3.6Å; M80-K151 WeakPolarHBondContact CA-O 3.39Å; M80-K151 WeakPolarHBondContact CB-O 3.35Å
81F94.6Very high83.2Confident62 Ų6249.4 Ų49.427%0.27231%0.305SS..EExtended strand (participates in β ladder)trans-88.8125.6163.9170.1-92.2000108.8F121 F123 P150 K151F81-F121 HydrophobicContact CD2-CD2 4.23Å; F81-F121 HydrophobicContact CE2-CB 3.86Å; F81-F121 AromaticContact CE2-CD2 3.46Å; F81-F121 HydrophobicContact CE2-CD2 3.46Å; F81-F121 VanDerWaalsContact CE2-CD2 3.46Å; F81-F121 HydrophobicContact CE2-CE2 4.15Å; F81-F121 AromaticContact CE2-CG 3.85Å; F81-F121 HydrophobicContact CE2-CG 3.85Å; F81-F121 HydrophobicContact CZ-CB 3.83Å; F81-F121 HydrophobicContact CZ-CD2 4.24Å; F81-F121 HydrophobicContact CZ-CG 4.17Å; F81-F123 HydrophobicContact CB-CD1 4.39Å; F81-F123 HydrophobicContact CB-CE1 4.15Å; F81-F123 AromaticContact CD2-CE1 3.87Å; F81-F123 HydrophobicContact CD2-CE1 3.87Å; F81-F123 AromaticContact CD2-CZ 3.95Å; F81-F123 HydrophobicContact CD2-CZ 3.95Å; F81-P150 WeakPolarHBondContact O-CA 3.15Å; F81-K151 PolarHBondContact N-O 3.37Å; F81-K151 PolarHBondContact O-N 2.9Å
82I94.6Very high85.7Confident0 Ų047.2 Ų47.20%029%0.286CS..EExtended strand (participates in β ladder)trans-106.798.1177.9-48.9-56.1000108.7M80 L85 F98 F121 G122 I124 I148 P150M80-I82 HydrophobicContact CB-CD1 4.01Å; I82-L85 HydrophobicContact CG2-CD2 3.63Å; I82-L85 HydrophobicContact CG2-CG 4.31Å; I82-F98 HydrophobicContact CD1-CE1 4.17Å; I82-F98 HydrophobicContact CD1-CE2 3.98Å; I82-F98 HydrophobicContact CD1-CZ 3.66Å; I82-F98 HydrophobicContact CG1-CE2 4.14Å; I82-F98 HydrophobicContact CG1-CZ 4.3Å; I82-F98 HydrophobicContact CG2-CE2 3.97Å; I82-F98 HydrophobicContact CG2-CZ 4.12Å; I82-F121 CarbonylContact O-C 3.57Å; I82-F121 VanDerWaalsContact O-CA 3.22Å; I82-F121 WeakPolarHBondContact O-CA 3.19Å; I82-F121 WeakPolarHBondContact O-CB 3.39Å; I82-G122 PolarHBondContact N-O 3.45Å; I82-G122 PolarHBondContact O-N 2.81Å; I82-I124 HydrophobicContact CD1-CD1 3.81Å; I82-I124 HydrophobicContact CD1-CG1 3.96Å; I82-I124 HydrophobicContact CG1-CD1 4.24Å; I82-I124 HydrophobicContact CG1-CG1 4.08Å; I82-I124 HydrophobicContact CG1-CG2 4.34Å; I82-I148 HydrophobicContact CG2-CD1 4.14Å; I82-P150 HydrophobicContact CD1-CB 3.73Å
83G94.6Very high87.7Confident5 Ų546.2 Ų46.25%0.05228%0.28CS..EExtended strand (participates in β ladder)trans-81.5155.5175.700000112.7I148 D149G83-I148 WeakPolarHBondContact O-CA 3.45Å; G83-I148 WeakPolarHBondContact O-CB 3.44Å; G83-D149 PolarHBondContact N-O 3.46Å; G83-D149 PolarHBondContact O-N 3.04Å
84G94Very high89.6Confident27 Ų2741.2 Ų41.228%0.27825%0.253SS..SBendtrans78.919.7166.300000116G120 K146G84-G120 PolarHBondContact N-O 2.97Å; G84-K146 VanDerWaalsContact C-NZ 3.29Å; G84-K146 PolarHBondContact O-NZ 3.43Å
85L95Very high91.1Very high0 Ų042.8 Ų42.80%025%0.252CS..  trans-57.2161.3173-58.7178.3000112.5I82 T89 L94 I109 G120 L143 K146 I148I82-L85 HydrophobicContact CG2-CD2 3.63Å; I82-L85 HydrophobicContact CG2-CG 4.31Å; L85-T89 HydrophobicContact CD2-CG2 4.43Å; L85-L94 HydrophobicContact CD1-CD1 3.57Å; L85-L94 HydrophobicContact CD2-CD1 3.74Å; L85-L94 HydrophobicContact CD2-CG 4.45Å; L85-L94 HydrophobicContact CG-CD1 4.31Å; L85-I109 HydrophobicContact CD1-CD1 4.08Å; L85-I109 HydrophobicContact CD1-CG1 3.89Å; L85-I109 HydrophobicContact CD1-CG2 4.18Å; L85-G120 PolarHBondContact N-O 2.97Å; L85-L143 HydrophobicContact CD2-CD2 4.35Å; L85-K146 PolarHBondContact O-NZ 3.01Å; L85-I148 HydrophobicContact CD2-CG2 4.2Å
86S94.1Very high92.4Very high17 Ų1741.4 Ų41.412%0.11924%0.244CC..  trans-74.9150.7167.8-175.30000110.4T88 T89S86-T88 WeakPolarHBondContact CB-OG1 3.24Å; S86-T88 PolarHBondContact O-N 3.13Å; S86-T88 PolarHBondContact OG-N 3Å; S86-T88 PolarHBondContact OG-OG1 2.61Å; S86-T89 WeakPolarHBondContact CA-OG1 3.47Å; S86-T89 VanDerWaalsContact CB-OG1 3.28Å; S86-T89 WeakPolarHBondContact CB-OG1 2.94Å; S86-T89 PolarHBondContact N-OG1 3.32Å; S86-T89 PolarHBondContact O-N 3.44Å; S86-T89 PolarHBondContact O-OG1 2.86Å
87P91.9Very high93Very high87 Ų8741.9 Ų41.957%0.56524%0.244SC*.THydrogen-bonded Turntrans-56.5-23.9165.8-25.636000113.5S118P87-S118 WeakPolarHBondContact O-CB 3.39Å
88T92.3Very high93.5Very high105 Ų10536.9 Ų36.964%0.64421%0.212SC*.THydrogen-bonded Turntrans-86.9-14.4179.357.40000114.4S86 T90S86-T88 WeakPolarHBondContact CB-OG1 3.24Å; S86-T88 PolarHBondContact O-N 3.13Å; S86-T88 PolarHBondContact OG-N 3Å; S86-T88 PolarHBondContact OG-OG1 2.61Å; T88-T90 PolarHBondContact O-N 3.37Å
89T92.6Very high93.7Very high1 Ų141 Ų411%0.00623%0.229CC..  trans-61.1130.8-172.9-49.10000111.6L85 S86 L94 I109 R111 L143 D144L85-T89 HydrophobicContact CD2-CG2 4.43Å; S86-T89 WeakPolarHBondContact CA-OG1 3.47Å; S86-T89 VanDerWaalsContact CB-OG1 3.28Å; S86-T89 WeakPolarHBondContact CB-OG1 2.94Å; S86-T89 PolarHBondContact N-OG1 3.32Å; S86-T89 PolarHBondContact O-N 3.44Å; S86-T89 PolarHBondContact O-OG1 2.86Å; T89-L94 HydrophobicContact CG2-CB 4.32Å; T89-I109 HydrophobicContact CG2-CD1 3.9Å; T89-I109 VanDerWaalsContact O-CD1 3.29Å; T89-I109 WeakPolarHBondContact O-CD1 3.45Å; T89-R111 PolarHBondContact O-NH2 3.44Å; T89-L143 HydrophobicContact CG2-CD2 3.82Å; T89-L143 HydrophobicContact CG2-CG 4.41Å; T89-D144 VanDerWaalsContact CA-OD2 3.22Å; T89-D144 WeakPolarHBondContact CA-OD2 3.25Å; T89-D144 WeakPolarHBondContact CB-OD2 3.24Å; T89-D144 WeakPolarHBondContact CG2-OD2 3.37Å; T89-D144 PolarHBondContact OG1-OD2 3.1Å
90T93.3Very high93.7Very high73 Ų7345.5 Ų45.545%0.44825%0.249SC..  trans-91160.5175.258.50000111.1T88 E92 G93 L94 I109T88-T90 PolarHBondContact O-N 3.37Å; T90-E92 PolarHBondContact O-N 3.17Å; T90-G93 PolarHBondContact OG1-N 3.17Å; T90-G93 VanDerWaalsContact OG1-N 3.08Å; T90-L94 PolarHBondContact O-N 2.74Å; T90-I109 VanDerWaalsContact C-CD1 3.46Å; T90-I109 VanDerWaalsContact O-CD1 3.26Å; T90-I109 WeakPolarHBondContact O-CD1 3.36Å
91S92.6Very high93.7Very high46 Ų4647 Ų4732%0.32226%0.255SS..Hα-helixtrans-55.1-44.1171.142.70000111.3L94 R95 Y107S91-L94 PolarHBondContact O-N 2.85Å; S91-R95 WeakPolarHBondContact O-CB 3.12Å; S91-R95 PolarHBondContact O-N 3.47Å; S91-Y107 WeakPolarHBondContact O-CD2 3.49Å
92E94.1Very high93.6Very high76 Ų7645 Ų4536%0.35525%0.251SS..Hα-helixtrans-66.3-48.1-178.9-46.1-39.610800111.9T90 L94 R95 D96T90-E92 PolarHBondContact O-N 3.17Å; E92-L94 PolarHBondContact O-N 3.13Å; E92-R95 CarbonylContact O-C 3.53Å; E92-R95 WeakPolarHBondContact O-CA 3.02Å; E92-R95 WeakPolarHBondContact O-CB 3.15Å; E92-R95 PolarHBondContact O-N 3.4Å; E92-R95 IonicContact OE2-NH1 3.23Å; E92-D96 WeakPolarHBondContact O-CB 3.4Å; E92-D96 PolarHBondContact O-N 3.26Å
93G93Very high93.6Very high20 Ų2051.6 Ų51.621%0.20628%0.282CS..Hα-helixtrans-62.5-28.7178.400000113.4T90 Y97T90-G93 PolarHBondContact OG1-N 3.17Å; T90-G93 VanDerWaalsContact OG1-N 3.08Å; G93-Y97 WeakPolarHBondContact O-CB 3.28Å; G93-Y97 PolarHBondContact O-N 3.44Å
94L93.2Very high93.5Very high1 Ų152.3 Ų52.31%0.00528%0.284CS..Hα-helixtrans-71.8-49171-165.1159.7000110.8L85 T89 T90 S91 E92 Y97 F98 I109 I124 L143L85-L94 HydrophobicContact CD1-CD1 3.57Å; L85-L94 HydrophobicContact CD2-CD1 3.74Å; L85-L94 HydrophobicContact CD2-CG 4.45Å; L85-L94 HydrophobicContact CG-CD1 4.31Å; T89-L94 HydrophobicContact CG2-CB 4.32Å; T90-L94 PolarHBondContact O-N 2.74Å; S91-L94 PolarHBondContact O-N 2.85Å; E92-L94 PolarHBondContact O-N 3.13Å; L94-Y97 PolarHBondContact O-N 3.11Å; L94-F98 HydrophobicContact CD2-CD2 3.76Å; L94-F98 HydrophobicContact CD2-CE2 4.17Å; L94-F98 HydrophobicContact CG-CD2 4.26Å; L94-F98 HydrophobicContact CG-CE2 4.36Å; L94-F98 WeakPolarHBondContact O-CD2 3.4Å; L94-F98 PolarHBondContact O-N 3.28Å; L94-I109 HydrophobicContact CB-CD1 4.32Å; L94-I109 HydrophobicContact CD1-CD1 3.94Å; L94-I109 HydrophobicContact CD1-CG1 3.69Å; L94-I124 HydrophobicContact CD2-CG2 3.23Å; L94-L143 HydrophobicContact CB-CD2 4.5Å
95R94.6Very high93.5Very high84 Ų8459.2 Ų59.232%0.31730%0.302SS..Hα-helixtrans-54.1-56.6175.7174.3-150168.4170.7-2.8110.9S91 E92 Y97 F98 Q99 L104 Y107S91-R95 WeakPolarHBondContact O-CB 3.12Å; S91-R95 PolarHBondContact O-N 3.47Å; E92-R95 CarbonylContact O-C 3.53Å; E92-R95 WeakPolarHBondContact O-CA 3.02Å; E92-R95 WeakPolarHBondContact O-CB 3.15Å; E92-R95 PolarHBondContact O-N 3.4Å; E92-R95 IonicContact OE2-NH1 3.23Å; R95-Y97 PolarHBondContact O-N 3.38Å; R95-F98 PolarHBondContact O-N 3.21Å; R95-Q99 VanDerWaalsContact NH2-OE1 3.11Å; R95-Q99 WeakPolarHBondContact O-CB 3.2Å; R95-Q99 PolarHBondContact O-N 3.14Å; R95-L104 HydrophobicContact CB-CD1 4.2Å; R95-L104 HydrophobicContact CG-CD1 3.93Å; R95-L104 WeakPolarHBondContact O-CD1 3.31Å; R95-Y107 HydrophobicContact CB-CD1 4.25Å; R95-Y107 HydrophobicContact CB-CD2 3.92Å; R95-Y107 HydrophobicContact CB-CE1 4.35Å; R95-Y107 HydrophobicContact CB-CE2 4Å; R95-Y107 HydrophobicContact CB-CG 4.08Å; R95-Y107 HydrophobicContact CG-CD1 4.19Å; R95-Y107 HydrophobicContact CG-CE1 4.02Å; R95-Y107 HydrophobicContact CG-CE2 4.44Å
96D94.7Very high93.4Very high99 Ų9960.8 Ų60.853%0.52931%0.31SS..Hα-helixtrans-57.7-36.4-176.4-63.2-23.9000111.8E92E92-D96 WeakPolarHBondContact O-CB 3.4Å; E92-D96 PolarHBondContact O-N 3.26Å
97Y94.1Very high93.3Very high44 Ų4463.6 Ų63.617%0.17332%0.318CS..Hα-helixtrans-68.5-36.5176.8-174.7-91.4000113.8G93 L94 R95 K100 H141 I142 L143 I148G93-Y97 WeakPolarHBondContact O-CB 3.28Å; G93-Y97 PolarHBondContact O-N 3.44Å; L94-Y97 PolarHBondContact O-N 3.11Å; R95-Y97 PolarHBondContact O-N 3.38Å; Y97-K100 VanDerWaalsContact O-CD 3.22Å; Y97-K100 WeakPolarHBondContact O-CD 3.4Å; Y97-K100 WeakPolarHBondContact O-CE 3.42Å; Y97-K100 WeakPolarHBondContact O-CG 3.45Å; Y97-K100 PolarHBondContact O-NZ 2.79Å; Y97-H141 HydrophobicContact CE1-CB 4.04Å; Y97-H141 AromaticContact CE1-ND1 3.85Å; Y97-H141 WeakPolarHBondContact OH-CA 3.14Å; Y97-H141 WeakPolarHBondContact OH-CB 3.46Å; Y97-I142 WeakPolarHBondContact CE2-O 3.38Å; Y97-I142 PolarHBondContact OH-N 2.77Å; Y97-I142 PolarHBondContact OH-O 2.78Å; Y97-L143 HydrophobicContact CD2-CD1 4.02Å; Y97-L143 HydrophobicContact CG-CD1 4.11Å; Y97-I148 HydrophobicContact CD1-CD1 4.29Å; Y97-I148 HydrophobicContact CE1-CD1 4.08Å
98F94.4Very high93.3Very high0 Ų063.1 Ų63.10%031%0.309CS..Hα-helixtrans-93.3-22.8-177.7-77-74.2000113.8I82 L94 R95 K100 Y101 L104 I124 F126 V135 I148 P150I82-F98 HydrophobicContact CD1-CE1 4.17Å; I82-F98 HydrophobicContact CD1-CE2 3.98Å; I82-F98 HydrophobicContact CD1-CZ 3.66Å; I82-F98 HydrophobicContact CG1-CE2 4.14Å; I82-F98 HydrophobicContact CG1-CZ 4.3Å; I82-F98 HydrophobicContact CG2-CE2 3.97Å; I82-F98 HydrophobicContact CG2-CZ 4.12Å; L94-F98 HydrophobicContact CD2-CD2 3.76Å; L94-F98 HydrophobicContact CD2-CE2 4.17Å; L94-F98 HydrophobicContact CG-CD2 4.26Å; L94-F98 HydrophobicContact CG-CE2 4.36Å; L94-F98 WeakPolarHBondContact O-CD2 3.4Å; L94-F98 PolarHBondContact O-N 3.28Å; R95-F98 PolarHBondContact O-N 3.21Å; F98-K100 PolarHBondContact O-N 2.85Å; F98-Y101 HydrophobicContact CD1-CD2 4.01Å; F98-Y101 HydrophobicContact CD1-CE2 4.12Å; F98-Y101 WeakPolarHBondContact O-CD2 3.42Å; F98-Y101 PolarHBondContact O-N 2.96Å; F98-L104 HydrophobicContact CB-CD1 4Å; F98-L104 HydrophobicContact CB-CD2 4.35Å; F98-I124 HydrophobicContact CB-CD1 4Å; F98-I124 HydrophobicContact CD1-CD1 3.81Å; F98-I124 HydrophobicContact CD2-CD1 4.03Å; F98-I124 HydrophobicContact CE1-CD1 4.31Å; F98-I124 HydrophobicContact CG-CD1 3.67Å; F98-F126 HydrophobicContact CB-CZ 4.2Å; F98-F126 HydrophobicContact CD1-CZ 4.31Å; F98-V135 HydrophobicContact CD1-CG1 4.42Å; F98-V135 HydrophobicContact CD1-CG2 4.01Å; F98-V135 HydrophobicContact CE1-CG1 3.84Å; F98-V135 HydrophobicContact CE1-CG2 4.25Å; F98-I148 HydrophobicContact CE2-CD1 3.8Å; F98-I148 HydrophobicContact CZ-CD1 3.61Å; F98-P150 HydrophobicContact CE1-CB 4.45Å; F98-P150 HydrophobicContact CZ-CB 4.41Å
99Q93.7Very high93.4Very high91 Ų9158.9 Ų58.943%0.42528%0.282SS..THydrogen-bonded Turntrans-59.8-20.5178.8-164.1178.9-72.900113R95 Y101 G102 L104R95-Q99 VanDerWaalsContact NH2-OE1 3.11Å; R95-Q99 WeakPolarHBondContact O-CB 3.2Å; R95-Q99 PolarHBondContact O-N 3.14Å; Q99-Y101 VanDerWaalsContact C-N 3.25Å; Q99-Y101 PolarHBondContact O-N 2.95Å; Q99-G102 CarbonylContact C-O 3.56Å; Q99-G102 WeakPolarHBondContact CA-O 3.25Å; Q99-G102 PolarHBondContact O-N 3.04Å; Q99-L104 HydrophobicContact CB-CD1 4.47Å
100K92.8Very high93.5Very high118 Ų11860.8 Ų60.851%0.51329%0.292SS..THydrogen-bonded Turntrans-69-15.5173.377.3-164.9-180-153.80114.8Y97 F98Y97-K100 VanDerWaalsContact O-CD 3.22Å; Y97-K100 WeakPolarHBondContact O-CD 3.4Å; Y97-K100 WeakPolarHBondContact O-CE 3.42Å; Y97-K100 WeakPolarHBondContact O-CG 3.45Å; Y97-K100 PolarHBondContact O-NZ 2.79Å; F98-K100 PolarHBondContact O-N 2.85Å
101Y93.1Very high93.5Very high32 Ų3262.9 Ų62.913%0.12529%0.292CS..THydrogen-bonded Turntrans-94.8-23.8176.5-60.6-74.7000112.8F98 Q99 C131 K134 V135 T138 H141F98-Y101 HydrophobicContact CD1-CD2 4.01Å; F98-Y101 HydrophobicContact CD1-CE2 4.12Å; F98-Y101 WeakPolarHBondContact O-CD2 3.42Å; F98-Y101 PolarHBondContact O-N 2.96Å; Q99-Y101 VanDerWaalsContact C-N 3.25Å; Q99-Y101 PolarHBondContact O-N 2.95Å; Y101-C131 PolarHBondContact O-SG 2.78Å; Y101-K134 HydrophobicContact CD1-CB 4.5Å; Y101-V135 HydrophobicContact CD1-CG2 4.21Å; Y101-V135 HydrophobicContact CD2-CG2 3.54Å; Y101-V135 HydrophobicContact CE2-CG2 4.04Å; Y101-V135 HydrophobicContact CG-CG2 3.64Å; Y101-T138 HydrophobicContact CE1-CG2 3.87Å; Y101-T138 WeakPolarHBondContact OH-CG2 3.39Å; Y101-H141 AromaticContact CZ-CE1 3.74Å; Y101-H141 PolarHBondContact OH-CE1 2.97Å; Y101-H141 VanDerWaalsContact OH-CE1 3.23Å; Y101-H141 PolarHBondContact OH-ND1 3.31Å
102G92.6Very high93.4Very high18 Ų1862.9 Ų62.919%0.18629%0.288CS..SBendtrans166.2173.7-177.500000112Q99Q99-G102 CarbonylContact C-O 3.56Å; Q99-G102 WeakPolarHBondContact CA-O 3.25Å; Q99-G102 PolarHBondContact O-N 3.04Å
103E94.5Very high93.3Very high139 Ų13963.8 Ų63.865%0.6530%0.3SS*.  trans-69.8142.6177.9-171.1179.3-153.100112.1F126 S127E103-F126 CarbonylContact O-C 3.58Å; E103-F126 WeakPolarHBondContact O-CA 3.42Å; E103-F126 WeakPolarHBondContact O-CD1 3.45Å; E103-S127 PolarHBondContact O-N 3.46Å; E103-S127 PolarHBondContact OE2-OG 2.65Å
104L93.8Very high93.2Very high20 Ų2070.1 Ų70.111%0.10533%0.329CS..EExtended strand (participates in β ladder)trans-107.5111.9-179.4-66.7172.6000110.9R95 F98 Q99 Y107 I124 T125 F126R95-L104 HydrophobicContact CB-CD1 4.2Å; R95-L104 HydrophobicContact CG-CD1 3.93Å; R95-L104 WeakPolarHBondContact O-CD1 3.31Å; F98-L104 HydrophobicContact CB-CD1 4Å; F98-L104 HydrophobicContact CB-CD2 4.35Å; Q99-L104 HydrophobicContact CB-CD1 4.47Å; L104-Y107 HydrophobicContact CB-CD1 4.49Å; L104-I124 HydrophobicContact CD2-CB 4.13Å; L104-I124 HydrophobicContact CD2-CD1 4.17Å; L104-T125 CarbonylContact C-O 3.59Å; L104-F126 HydrophobicContact CD2-CD1 3.59Å; L104-F126 HydrophobicContact CD2-CD2 4.41Å; L104-F126 HydrophobicContact CD2-CE1 3.53Å; L104-F126 HydrophobicContact CD2-CE2 4.37Å; L104-F126 HydrophobicContact CD2-CG 4.04Å; L104-F126 HydrophobicContact CD2-CZ 3.95Å; L104-F126 HydrophobicContact CG-CD1 4.43Å; L104-F126 HydrophobicContact CG-CE1 4.33Å
105R93Very high93.2Very high172 Ų17274.4 Ų74.465%0.64936%0.355SS*.EExtended strand (participates in β ladder)trans-72-33.4174.7-175.5-179.2177.6-140.8-0.5112.4D76 T125D76-R105 IonicContact OD1-NH1 2.59Å; D76-R105 PolarHBondContact OD1-NH1 3.34Å; R105-T125 PolarHBondContact N-O 2.84Å
106E92.4Very high93Very high34 Ų3477.2 Ų77.216%0.15937%0.369CS..EExtended strand (participates in β ladder)trans-150.1143.6-179.4-174.6-172.1-147.500110.7S70 K79 I124 T125S70-E106 PolarHBondContact OG-OE1 3.37Å; K79-E106 IonicContact NZ-OE2 3.97Å; K79-E106 PolarHBondContact NZ-OE2 3Å; E106-I124 CarbonylContact O-C 3.55Å; E106-I124 WeakPolarHBondContact O-CA 3.17Å; E106-T125 PolarHBondContact N-O 3.28Å; E106-T125 PolarHBondContact O-N 3.44Å; E106-T125 PolarHBondContact OE2-OG1 3.05Å
107Y93.8Very high92.9Very high76 Ų7681.2 Ų81.230%0.29838%0.377SS..EExtended strand (participates in β ladder)trans-147.5128.8171.552.1-81.4000110.4S91 R95 L104S91-Y107 WeakPolarHBondContact O-CD2 3.49Å; R95-Y107 HydrophobicContact CB-CD1 4.25Å; R95-Y107 HydrophobicContact CB-CD2 3.92Å; R95-Y107 HydrophobicContact CB-CE1 4.35Å; R95-Y107 HydrophobicContact CB-CE2 4Å; R95-Y107 HydrophobicContact CB-CG 4.08Å; R95-Y107 HydrophobicContact CG-CD1 4.19Å; R95-Y107 HydrophobicContact CG-CE1 4.02Å; R95-Y107 HydrophobicContact CG-CE2 4.44Å; L104-Y107 HydrophobicContact CB-CD1 4.49Å
108M91.8Very high92.8Very high76 Ų7679.7 Ų79.737%0.37437%0.373SS..EExtended strand (participates in β ladder)trans-145.2125-177.2175.2172.349.200111.8M110 G122 F123M108-M110 HydrophobicContact CE-SD 3.97Å; M108-M110 HydrophobicContact CG-SD 4.32Å; M108-M110 HydrophobicContact SD-SD 4.08Å; M108-G122 CarbonylContact O-C 3.59Å; M108-G122 WeakPolarHBondContact O-CA 3.44Å; M108-F123 PolarHBondContact N-O 2.83Å; M108-F123 PolarHBondContact O-N 3.48Å
109I94.6Very high92.8Very high17 Ų1786.5 Ų86.59%0.08740%0.399CS..EExtended strand (participates in β ladder)trans-91.7125.5169.6-64-178.5000109.3L85 T89 T90 L94 R111L85-I109 HydrophobicContact CD1-CD1 4.08Å; L85-I109 HydrophobicContact CD1-CG1 3.89Å; L85-I109 HydrophobicContact CD1-CG2 4.18Å; T89-I109 HydrophobicContact CG2-CD1 3.9Å; T89-I109 VanDerWaalsContact O-CD1 3.29Å; T89-I109 WeakPolarHBondContact O-CD1 3.45Å; T90-I109 VanDerWaalsContact C-CD1 3.46Å; T90-I109 VanDerWaalsContact O-CD1 3.26Å; T90-I109 WeakPolarHBondContact O-CD1 3.36Å; L94-I109 HydrophobicContact CB-CD1 4.32Å; L94-I109 HydrophobicContact CD1-CD1 3.94Å; L94-I109 HydrophobicContact CD1-CG1 3.69Å; I109-R111 HydrophobicContact CG2-CG 4.4Å; I109-R111 PolarHBondContact O-N 3.34Å
110M92.9Very high92.7Very high41 Ų4183 Ų8320%0.20239%0.388CS..EExtended strand (participates in β ladder)trans-75.7117.8-179.9-64.4-60.5-6100110M108 R119 F121 F123M108-M110 HydrophobicContact CE-SD 3.97Å; M108-M110 HydrophobicContact CG-SD 4.32Å; M108-M110 HydrophobicContact SD-SD 4.08Å; M110-R119 VanDerWaalsContact O-CB 3.25Å; M110-R119 WeakPolarHBondContact O-CB 3.27Å; M110-R119 WeakPolarHBondContact O-CG 3.41Å; M110-R119 PolarHBondContact O-N 2.99Å; M110-F121 HydrophobicContact CB-CD2 4.08Å; M110-F121 HydrophobicContact CB-CE1 4.45Å; M110-F121 HydrophobicContact CB-CE2 3.75Å; M110-F121 HydrophobicContact CB-CZ 3.94Å; M110-F121 HydrophobicContact CG-CD2 3.89Å; M110-F121 HydrophobicContact CG-CE2 3.49Å; M110-F121 VanDerWaalsContact CG-CE2 3.49Å; M110-F121 HydrophobicContact CG-CZ 4.11Å; M110-F121 PolarHBondContact N-O 2.93Å; M110-F123 HydrophobicContact CG-CD2 4.14Å; M110-F123 HydrophobicContact CG-CE2 4.03Å; M110-F123 HydrophobicContact SD-CD2 4.34Å; M110-F123 HydrophobicContact SD-CE2 4.36Å
111R93.4Very high92.8Very high117 Ų11779.5 Ų79.544%0.44237%0.372SS..EExtended strand (participates in β ladder)trans-111.5156.5176.8-56.5-168.3171.4-160.3-5.9110.5T89 I109 R117T89-R111 PolarHBondContact O-NH2 3.44Å; I109-R111 HydrophobicContact CG2-CG 4.4Å; I109-R111 PolarHBondContact O-N 3.34Å; R111-R117 CarbonylContact C-O 3.58Å; R111-R117 WeakPolarHBondContact CA-O 3.08Å
112D90.6Very high92.9Very high45 Ų4578 Ų7824%0.24137%0.367CS..  trans-68.7125.9170.3169.912000109.4L114 T115 K116 R117D112-L114 PolarHBondContact O-N 3.07Å; D112-L114 PolarHBondContact OD1-N 2.92Å; D112-T115 VanDerWaalsContact OD2-CB 3.24Å; D112-T115 WeakPolarHBondContact OD2-CB 3.16Å; D112-T115 VanDerWaalsContact OD2-CG2 3.25Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.31Å; D112-T115 PolarHBondContact OD2-N 2.83Å; D112-T115 PolarHBondContact OD2-OG1 2.64Å; D112-K116 WeakPolarHBondContact O-CA 3.46Å; D112-K116 PolarHBondContact O-N 2.87Å; D112-R117 PolarHBondContact N-O 3.39Å
113P91.7Very high93Very high96 Ų9678.3 Ų78.362%0.62336%0.363SS*.THydrogen-bonded Turntrans-60.3-28.3178.225.4-35.7000113.5K116P113-K116 WeakPolarHBondContact O-CE 3.32Å; P113-K116 PolarHBondContact O-NZ 2.85Å
114L92.1Very high93Very high152 Ų15271.7 Ų71.780%0.79633%0.332SS*.THydrogen-bonded Turntrans-85.8-65.2-178.6-60.9177.1000111.5D112 K116D112-L114 PolarHBondContact O-N 3.07Å; D112-L114 PolarHBondContact OD1-N 2.92Å; L114-K116 VanDerWaalsContact C-N 3.31Å; L114-K116 PolarHBondContact O-N 2.78Å
115T93.3Very high93Very high91 Ų9170.8 Ų70.856%0.55833%0.327SS*.THydrogen-bonded Turntrans-80.9-6.8-175.168.60000114.7D112 R117D112-T115 VanDerWaalsContact OD2-CB 3.24Å; D112-T115 WeakPolarHBondContact OD2-CB 3.16Å; D112-T115 VanDerWaalsContact OD2-CG2 3.25Å; D112-T115 WeakPolarHBondContact OD2-CG2 3.31Å; D112-T115 PolarHBondContact OD2-N 2.83Å; D112-T115 PolarHBondContact OD2-OG1 2.64Å; T115-R117 PolarHBondContact O-N 2.95Å; T115-R117 WeakPolarHBondContact OG1-CB 3.49Å; T115-R117 PolarHBondContact OG1-N 2.65Å
116K90.3Very high93.1Very high143 Ų14362.8 Ų62.862%0.62230%0.297SS*.  trans56.64.7-171.1-50.9-52.4-173.7-166.60115.2D112 P113 L114D112-K116 WeakPolarHBondContact O-CA 3.46Å; D112-K116 PolarHBondContact O-N 2.87Å; P113-K116 WeakPolarHBondContact O-CE 3.32Å; P113-K116 PolarHBondContact O-NZ 2.85Å; L114-K116 VanDerWaalsContact C-N 3.31Å; L114-K116 PolarHBondContact O-N 2.78Å
117R91.7Very high93.2Very high183 Ų18363.7 Ų63.769%0.69131%0.307SS*.  trans-64.1137.8177.1-171.1176-70.5-162.1-2.2110.3R111 D112 T115R111-R117 CarbonylContact C-O 3.58Å; R111-R117 WeakPolarHBondContact CA-O 3.08Å; D112-R117 PolarHBondContact N-O 3.39Å; T115-R117 PolarHBondContact O-N 2.95Å; T115-R117 WeakPolarHBondContact OG1-CB 3.49Å; T115-R117 PolarHBondContact OG1-N 2.65Å
118S92.6Very high93.2Very high13 Ų1364.5 Ų64.59%0.09132%0.317CS..EExtended strand (participates in β ladder)trans-61.2134.9170.8170.60000110.5P87 G120P87-S118 WeakPolarHBondContact O-CB 3.39Å; S118-G120 PolarHBondContact O-N 2.94Å; S118-G120 PolarHBondContact OG-N 3Å
119R93.4Very high93.2Very high142 Ų14264 Ų6454%0.53632%0.319SS..EExtended strand (participates in β ladder)trans-81.43.7177.4-61.5171.861.5179.9-0.9112.5M110 F121M110-R119 VanDerWaalsContact O-CB 3.25Å; M110-R119 WeakPolarHBondContact O-CB 3.27Å; M110-R119 WeakPolarHBondContact O-CG 3.41Å; M110-R119 PolarHBondContact O-N 2.99Å; R119-F121 VanDerWaalsContact C-N 3.31Å; R119-F121 HydrophobicContact CB-CD1 3.87Å; R119-F121 HydrophobicContact CB-CE1 3.63Å; R119-F121 WeakPolarHBondContact O-CD1 3.21Å; R119-F121 PolarHBondContact O-N 2.85Å
120G93.3Very high93.1Very high19 Ų1966.8 Ų66.820%0.19634%0.337CS..EExtended strand (participates in β ladder)trans7614.2179.600000114.7G84 L85 S118G84-G120 PolarHBondContact N-O 2.97Å; L85-G120 PolarHBondContact N-O 2.97Å; S118-G120 PolarHBondContact O-N 2.94Å; S118-G120 PolarHBondContact OG-N 3Å
121F94.8Very high93.1Very high44 Ų4465 Ų6519%0.19333%0.328CS..EExtended strand (participates in β ladder)trans-148.2160.2174.571.2-89.3000112.2F81 I82 M110 R119 F123F81-F121 HydrophobicContact CD2-CD2 4.23Å; F81-F121 HydrophobicContact CE2-CB 3.86Å; F81-F121 AromaticContact CE2-CD2 3.46Å; F81-F121 HydrophobicContact CE2-CD2 3.46Å; F81-F121 VanDerWaalsContact CE2-CD2 3.46Å; F81-F121 HydrophobicContact CE2-CE2 4.15Å; F81-F121 AromaticContact CE2-CG 3.85Å; F81-F121 HydrophobicContact CE2-CG 3.85Å; F81-F121 HydrophobicContact CZ-CB 3.83Å; F81-F121 HydrophobicContact CZ-CD2 4.24Å; F81-F121 HydrophobicContact CZ-CG 4.17Å; I82-F121 CarbonylContact O-C 3.57Å; I82-F121 VanDerWaalsContact O-CA 3.22Å; I82-F121 WeakPolarHBondContact O-CA 3.19Å; I82-F121 WeakPolarHBondContact O-CB 3.39Å; M110-F121 HydrophobicContact CB-CD2 4.08Å; M110-F121 HydrophobicContact CB-CE1 4.45Å; M110-F121 HydrophobicContact CB-CE2 3.75Å; M110-F121 HydrophobicContact CB-CZ 3.94Å; M110-F121 HydrophobicContact CG-CD2 3.89Å; M110-F121 HydrophobicContact CG-CE2 3.49Å; M110-F121 VanDerWaalsContact CG-CE2 3.49Å; M110-F121 HydrophobicContact CG-CZ 4.11Å; M110-F121 PolarHBondContact N-O 2.93Å; R119-F121 VanDerWaalsContact C-N 3.31Å; R119-F121 HydrophobicContact CB-CD1 3.87Å; R119-F121 HydrophobicContact CB-CE1 3.63Å; R119-F121 WeakPolarHBondContact O-CD1 3.21Å; R119-F121 PolarHBondContact O-N 2.85Å; F121-F123 HydrophobicContact CD2-CE2 4.38Å; F121-F123 HydrophobicContact CE2-CE2 4.12Å
122G94.3Very high93Very high0 Ų059.7 Ų59.70%031%0.309CS..EExtended strand (participates in β ladder)trans-148-17717700000112.4I82 M108I82-G122 PolarHBondContact N-O 3.45Å; I82-G122 PolarHBondContact O-N 2.81Å; M108-G122 CarbonylContact O-C 3.59Å; M108-G122 WeakPolarHBondContact O-CA 3.44Å
123F94.9Very high93.1Very high24 Ų2463.2 Ų63.211%0.10532%0.324CS..EExtended strand (participates in β ladder)trans-127.3148171.1-64.9-86.6000109.4M80 F81 M108 M110 F121 A153M80-F123 VanDerWaalsContact O-CA 3.3Å; M80-F123 WeakPolarHBondContact O-CA 3.48Å; F81-F123 HydrophobicContact CB-CD1 4.39Å; F81-F123 HydrophobicContact CB-CE1 4.15Å; F81-F123 AromaticContact CD2-CE1 3.87Å; F81-F123 HydrophobicContact CD2-CE1 3.87Å; F81-F123 AromaticContact CD2-CZ 3.95Å; F81-F123 HydrophobicContact CD2-CZ 3.95Å; M108-F123 PolarHBondContact N-O 2.83Å; M108-F123 PolarHBondContact O-N 3.48Å; M110-F123 HydrophobicContact CG-CD2 4.14Å; M110-F123 HydrophobicContact CG-CE2 4.03Å; M110-F123 HydrophobicContact SD-CD2 4.34Å; M110-F123 HydrophobicContact SD-CE2 4.36Å; F121-F123 HydrophobicContact CD2-CE2 4.38Å; F121-F123 HydrophobicContact CE2-CE2 4.12Å; F123-A153 HydrophobicContact CD1-CB 4.43Å
124I94.7Very high93.2Very high0 Ų063 Ų630%031%0.313CS..EExtended strand (participates in β ladder)trans-129.5155165.358.9178.4000109.4K79 M80 I82 L94 F98 L104 E106 F126K79-I124 CarbonylContact C-O 3.6Å; K79-I124 VanDerWaalsContact CA-O 3.29Å; K79-I124 WeakPolarHBondContact CA-O 3.27Å; M80-I124 HydrophobicContact CB-CD1 4.36Å; M80-I124 HydrophobicContact CB-CG1 3.82Å; M80-I124 HydrophobicContact CG-CG1 4.41Å; M80-I124 PolarHBondContact N-O 3.49Å; M80-I124 PolarHBondContact O-N 3.43Å; M80-I124 HydrophobicContact SD-CD1 4.49Å; I82-I124 HydrophobicContact CD1-CD1 3.81Å; I82-I124 HydrophobicContact CD1-CG1 3.96Å; I82-I124 HydrophobicContact CG1-CD1 4.24Å; I82-I124 HydrophobicContact CG1-CG1 4.08Å; I82-I124 HydrophobicContact CG1-CG2 4.34Å; L94-I124 HydrophobicContact CD2-CG2 3.23Å; F98-I124 HydrophobicContact CB-CD1 4Å; F98-I124 HydrophobicContact CD1-CD1 3.81Å; F98-I124 HydrophobicContact CD2-CD1 4.03Å; F98-I124 HydrophobicContact CE1-CD1 4.31Å; F98-I124 HydrophobicContact CG-CD1 3.67Å; L104-I124 HydrophobicContact CD2-CB 4.13Å; L104-I124 HydrophobicContact CD2-CD1 4.17Å; E106-I124 CarbonylContact O-C 3.55Å; E106-I124 WeakPolarHBondContact O-CA 3.17Å; I124-F126 HydrophobicContact CD1-CD2 4.31Å; I124-F126 HydrophobicContact CD1-CE2 3.58Å; I124-F126 HydrophobicContact CD1-CZ 3.95Å; I124-F126 HydrophobicContact CG1-CE2 4.4Å
125T94.2Very high93.3Very high2 Ų255.8 Ų55.81%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-128.3113.3170.2-46.70000107.3D76 G78 K79 L104 R105 E106D76-T125 HydrophobicContact CB-CG2 4.05Å; G78-T125 WeakPolarHBondContact O-CA 3.45Å; K79-T125 HydrophobicContact CB-CG2 4.46Å; K79-T125 PolarHBondContact NZ-OG1 2.96Å; L104-T125 CarbonylContact C-O 3.59Å; R105-T125 PolarHBondContact N-O 2.84Å; E106-T125 PolarHBondContact N-O 3.28Å; E106-T125 PolarHBondContact O-N 3.44Å; E106-T125 PolarHBondContact OE2-OG1 3.05Å
126F95.2Very high93.2Very high4 Ų454.8 Ų54.82%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-71.2152.5169.9-74.7-80.7000110.5G78 M80 F98 E103 L104 I124 D128 C131 V132 V135G78-F126 PolarHBondContact O-N 3.35Å; M80-F126 HydrophobicContact SD-CD2 4.42Å; M80-F126 HydrophobicContact SD-CE2 3.88Å; F98-F126 HydrophobicContact CB-CZ 4.2Å; F98-F126 HydrophobicContact CD1-CZ 4.31Å; E103-F126 CarbonylContact O-C 3.58Å; E103-F126 WeakPolarHBondContact O-CA 3.42Å; E103-F126 WeakPolarHBondContact O-CD1 3.45Å; L104-F126 HydrophobicContact CD2-CD1 3.59Å; L104-F126 HydrophobicContact CD2-CD2 4.41Å; L104-F126 HydrophobicContact CD2-CE1 3.53Å; L104-F126 HydrophobicContact CD2-CE2 4.37Å; L104-F126 HydrophobicContact CD2-CG 4.04Å; L104-F126 HydrophobicContact CD2-CZ 3.95Å; L104-F126 HydrophobicContact CG-CD1 4.43Å; L104-F126 HydrophobicContact CG-CE1 4.33Å; I124-F126 HydrophobicContact CD1-CD2 4.31Å; I124-F126 HydrophobicContact CD1-CE2 3.58Å; I124-F126 HydrophobicContact CD1-CZ 3.95Å; I124-F126 HydrophobicContact CG1-CE2 4.4Å; F126-D128 WeakPolarHBondContact CB-O 3.32Å; F126-C131 HydrophobicContact CB-CB 4.08Å; F126-C131 HydrophobicContact CD1-CB 3.52Å; F126-C131 HydrophobicContact CD2-CB 4.17Å; F126-C131 HydrophobicContact CE1-CB 3.93Å; F126-C131 HydrophobicContact CG-CB 3.66Å; F126-C131 HydrophobicContact CZ-CB 4.41Å; F126-V132 HydrophobicContact CD2-CG2 4.04Å; F126-V135 HydrophobicContact CE2-CG2 3.87Å; F126-V135 HydrophobicContact CZ-CG2 3.72Å
127S93.6Very high93.3Very high52 Ų5255.7 Ų55.736%0.36427%0.272SS..SBendtrans-63.1-46.2168.1-59.80000110.5E103E103-S127 PolarHBondContact O-N 3.46Å; E103-S127 PolarHBondContact OE2-OG 2.65Å
128D93.5Very high93.3Very high93 Ų9350.3 Ų50.350%0.49726%0.26SS..SBendtrans-102.8130.8178.3-61.9-58.2000112.1F126 V130 C131F126-D128 WeakPolarHBondContact CB-O 3.32Å; D128-V130 VanDerWaalsContact C-N 3.26Å; D128-V130 PolarHBondContact O-N 3.39Å; D128-C131 WeakPolarHBondContact O-CB 3.49Å; D128-C131 PolarHBondContact O-N 3.4Å
129P91.7Very high93Very high65 Ų6552.7 Ų52.742%0.42228%0.281SS..THydrogen-bonded Turntrans-65.6-27.5177.427.3-34.3000112.8P77 C131 V132P77-P129 HydrophobicContact CB-CB 4.43Å; P129-C131 PolarHBondContact O-N 3.09Å; P129-C131 VanDerWaalsContact O-N 3.07Å; P129-V132 WeakPolarHBondContact O-CB 3.49Å; P129-V132 WeakPolarHBondContact O-CG2 3.24Å; P129-V132 PolarHBondContact O-N 3.06Å
130V92.4Very high92.8Very high77 Ų7750.2 Ų50.247%0.46728%0.283SS..Hα-helixtrans-59.8-22177.2-169.30000112.1D128 V132 K134D128-V130 VanDerWaalsContact C-N 3.26Å; D128-V130 PolarHBondContact O-N 3.39Å; V130-V132 VanDerWaalsContact C-N 3.31Å; V130-K134 WeakPolarHBondContact O-CG 3.32Å; V130-K134 PolarHBondContact O-N 2.81Å
131C92.9Very high92.8Very high3 Ų349.3 Ų49.32%0.0227%0.274CS..Hα-helixtrans-74.8-22176.5-59.90000113Y101 F126 D128 P129 V135Y101-C131 PolarHBondContact O-SG 2.78Å; F126-C131 HydrophobicContact CB-CB 4.08Å; F126-C131 HydrophobicContact CD1-CB 3.52Å; F126-C131 HydrophobicContact CD2-CB 4.17Å; F126-C131 HydrophobicContact CE1-CB 3.93Å; F126-C131 HydrophobicContact CG-CB 3.66Å; F126-C131 HydrophobicContact CZ-CB 4.41Å; D128-C131 WeakPolarHBondContact O-CB 3.49Å; D128-C131 PolarHBondContact O-N 3.4Å; P129-C131 PolarHBondContact O-N 3.09Å; P129-C131 VanDerWaalsContact O-N 3.07Å; C131-V135 WeakPolarHBondContact O-CG2 3.46Å; C131-V135 PolarHBondContact O-N 2.71Å
132V92.6Very high92.8Very high5 Ų551.9 Ų51.93%0.0329%0.288CS..Hα-helixtrans-65.1-43173.3177.20000110.8M80 F126 P129 V130 V135 L136 L152M80-V132 HydrophobicContact CE-CG1 3.93Å; M80-V132 HydrophobicContact CG-CB 4.36Å; M80-V132 HydrophobicContact CG-CG1 3.84Å; M80-V132 HydrophobicContact CG-CG2 3.96Å; M80-V132 HydrophobicContact SD-CB 4.26Å; M80-V132 HydrophobicContact SD-CG1 3.91Å; M80-V132 HydrophobicContact SD-CG2 4.3Å; F126-V132 HydrophobicContact CD2-CG2 4.04Å; P129-V132 WeakPolarHBondContact O-CB 3.49Å; P129-V132 WeakPolarHBondContact O-CG2 3.24Å; P129-V132 PolarHBondContact O-N 3.06Å; V130-V132 VanDerWaalsContact C-N 3.31Å; V132-V135 PolarHBondContact O-N 3.34Å; V132-L136 HydrophobicContact CG1-CD1 4.28Å; V132-L136 WeakPolarHBondContact O-CG 3.26Å; V132-L136 PolarHBondContact O-N 3.22Å; V132-L136 VanDerWaalsContact O-N 3.11Å; V132-L152 HydrophobicContact CG1-CD2 3.41Å; V132-L152 VanDerWaalsContact CG1-CD2 3.41Å
133E92Very high92.7Very high119 Ų11952.7 Ų52.756%0.55629%0.293SS*.Hα-helixtrans-65-49.4179.8-62.6174.3154.900110.6V135 L136 E137E133-V135 PolarHBondContact O-N 2.77Å; E133-L136 PolarHBondContact O-N 3.3Å; E133-E137 WeakPolarHBondContact O-CG 3.38Å; E133-E137 PolarHBondContact O-N 3.43Å
134K93.2Very high92.5Very high93 Ų9354.7 Ų54.740%0.40430%0.304SS..Hα-helixtrans-54.5-37.4174.5-63.9173-168.6166.70113.1Y101 V130 T138Y101-K134 HydrophobicContact CD1-CB 4.5Å; V130-K134 WeakPolarHBondContact O-CG 3.32Å; V130-K134 PolarHBondContact O-N 2.81Å; K134-T138 WeakPolarHBondContact O-CB 3.32Å; K134-T138 PolarHBondContact O-N 3.31Å; K134-T138 PolarHBondContact O-OG1 3.41Å
135V93.9Very high92.4Very high0 Ų066.1 Ų66.10%035%0.349CS..Hα-helixtrans-64.6-52.8173.9168.90000110M80 F98 Y101 F126 C131 V132 E133 E137 T138 H141 P150M80-V135 HydrophobicContact CE-CB 4.08Å; M80-V135 HydrophobicContact CE-CG1 3.69Å; M80-V135 HydrophobicContact SD-CB 3.9Å; M80-V135 HydrophobicContact SD-CG1 3.81Å; M80-V135 HydrophobicContact SD-CG2 4.25Å; F98-V135 HydrophobicContact CD1-CG1 4.42Å; F98-V135 HydrophobicContact CD1-CG2 4.01Å; F98-V135 HydrophobicContact CE1-CG1 3.84Å; F98-V135 HydrophobicContact CE1-CG2 4.25Å; Y101-V135 HydrophobicContact CD1-CG2 4.21Å; Y101-V135 HydrophobicContact CD2-CG2 3.54Å; Y101-V135 HydrophobicContact CE2-CG2 4.04Å; Y101-V135 HydrophobicContact CG-CG2 3.64Å; F126-V135 HydrophobicContact CE2-CG2 3.87Å; F126-V135 HydrophobicContact CZ-CG2 3.72Å; C131-V135 WeakPolarHBondContact O-CG2 3.46Å; C131-V135 PolarHBondContact O-N 2.71Å; V132-V135 PolarHBondContact O-N 3.34Å; E133-V135 PolarHBondContact O-N 2.77Å; V135-E137 VanDerWaalsContact C-N 3.26Å; V135-E137 PolarHBondContact O-N 3.36Å; V135-T138 PolarHBondContact O-N 2.76Å; V135-H141 PolarHBondContact O-CE1 3.44Å; V135-H141 VanDerWaalsContact O-CE1 3.32Å; V135-H141 PolarHBondContact O-NE2 2.76Å; V135-P150 HydrophobicContact CG1-CB 3.78Å; V135-P150 HydrophobicContact CG1-CG 3.79Å
136L92Very high92.3Very high70 Ų7070 Ų7037%0.36637%0.366SS..Hα-helixtrans-59.6-35.8-177.9-65.9170.3000112.7M80 V132 E133 P150 L152M80-L136 HydrophobicContact CE-CD2 3.77Å; M80-L136 HydrophobicContact CE-CG 3.86Å; V132-L136 HydrophobicContact CG1-CD1 4.28Å; V132-L136 WeakPolarHBondContact O-CG 3.26Å; V132-L136 PolarHBondContact O-N 3.22Å; V132-L136 VanDerWaalsContact O-N 3.11Å; E133-L136 PolarHBondContact O-N 3.3Å; L136-P150 WeakPolarHBondContact CD2-O 3.5Å; L136-L152 HydrophobicContact CD1-CD2 3.83Å; L136-L152 HydrophobicContact CD1-CG 4.13Å
137E92.8Very high92.3Very high161 Ų16176.9 Ų76.975%0.75240%0.396SS*.Hα-helixtrans-68.1-30.7174.1-69.4178.8156.300113.5E133 V135 A139E133-E137 WeakPolarHBondContact O-CG 3.38Å; E133-E137 PolarHBondContact O-N 3.43Å; V135-E137 VanDerWaalsContact C-N 3.26Å; V135-E137 PolarHBondContact O-N 3.36Å; E137-A139 VanDerWaalsContact C-N 3.27Å; E137-A139 PolarHBondContact O-N 2.89Å
138T91.1Very high92.3Very high70 Ų7074.6 Ų74.643%0.42938%0.379SS..THydrogen-bonded Turntrans-87.915.1-175.8-47.50000113.3Y101 K134 V135Y101-T138 HydrophobicContact CE1-CG2 3.87Å; Y101-T138 WeakPolarHBondContact OH-CG2 3.39Å; K134-T138 WeakPolarHBondContact O-CB 3.32Å; K134-T138 PolarHBondContact O-N 3.31Å; K134-T138 PolarHBondContact O-OG1 3.41Å; V135-T138 PolarHBondContact O-N 2.76Å
139A85.8Confident92.3Very high64 Ų6473.6 Ų73.653%0.52937%0.374SS..PPolyproline II helixtrans-66.3138.1175.700000111.4E137E137-A139 VanDerWaalsContact C-N 3.27Å; E137-A139 PolarHBondContact O-N 2.89Å
140P90.6Very high92.4Very high89 Ų8971.1 Ų71.158%0.57836%0.358SS*.PPolyproline II helixcis-93.5143.613.935.4-34.8000115K147P140-K147 HydrophobicContact CB-CD 4.5Å
141H93.6Very high92.4Very high1 Ų172.4 Ų72.41%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-97.6145.6174.9-56.3-90.2000112Y97 Y101 V135 K147 I148 P150Y97-H141 HydrophobicContact CE1-CB 4.04Å; Y97-H141 AromaticContact CE1-ND1 3.85Å; Y97-H141 WeakPolarHBondContact OH-CA 3.14Å; Y97-H141 WeakPolarHBondContact OH-CB 3.46Å; Y101-H141 AromaticContact CZ-CE1 3.74Å; Y101-H141 PolarHBondContact OH-CE1 2.97Å; Y101-H141 VanDerWaalsContact OH-CE1 3.23Å; Y101-H141 PolarHBondContact OH-ND1 3.31Å; V135-H141 PolarHBondContact O-CE1 3.44Å; V135-H141 VanDerWaalsContact O-CE1 3.32Å; V135-H141 PolarHBondContact O-NE2 2.76Å; H141-K147 WeakPolarHBondContact O-CA 3.38Å; H141-I148 HydrophobicContact CB-CD1 3.96Å; H141-I148 HydrophobicContact CB-CG1 3.45Å; H141-I148 VanDerWaalsContact CB-CG1 3.45Å; H141-I148 PolarHBondContact O-N 2.89Å; H141-P150 WeakPolarHBondContact CD2-CG 3.32Å
142I93.5Very high92.4Very high98 Ų9877.5 Ų77.550%0.50338%0.384SS..EExtended strand (participates in β ladder)trans-135.9128.7178.4-56.7177.5000108.1Y97 K146Y97-I142 WeakPolarHBondContact CE2-O 3.38Å; Y97-I142 PolarHBondContact OH-N 2.77Å; Y97-I142 PolarHBondContact OH-O 2.78Å; I142-K146 WeakPolarHBondContact CA-O 3.42Å
143L92.5Very high92.3Very high17 Ų1778.3 Ų78.39%0.08939%0.391CS..EExtended strand (participates in β ladder)trans-139.5139177.4179.259.4000108.3L85 T89 L94 Y97 Y145 K146 I148L85-L143 HydrophobicContact CD2-CD2 4.35Å; T89-L143 HydrophobicContact CG2-CD2 3.82Å; T89-L143 HydrophobicContact CG2-CG 4.41Å; L94-L143 HydrophobicContact CB-CD2 4.5Å; Y97-L143 HydrophobicContact CD2-CD1 4.02Å; Y97-L143 HydrophobicContact CG-CD1 4.11Å; L143-Y145 VanDerWaalsContact C-N 3.25Å; L143-Y145 PolarHBondContact O-N 3.09Å; L143-K146 PolarHBondContact N-O 3.22Å; L143-K146 WeakPolarHBondContact O-CA 3.32Å; L143-K146 WeakPolarHBondContact O-CB 3.45Å; L143-K146 PolarHBondContact O-N 3.39Å; L143-I148 HydrophobicContact CB-CD1 4.04Å; L143-I148 HydrophobicContact CB-CG2 4.05Å; L143-I148 HydrophobicContact CD2-CD1 4.43Å
144D91.3Very high92Very high65 Ų6578.5 Ų78.535%0.34840%0.4SS..THydrogen-bonded Turntrans49.343.4-175.6-54.4-23.9000113.5T89 K146T89-D144 VanDerWaalsContact CA-OD2 3.22Å; T89-D144 WeakPolarHBondContact CA-OD2 3.25Å; T89-D144 WeakPolarHBondContact CB-OD2 3.24Å; T89-D144 WeakPolarHBondContact CG2-OD2 3.37Å; T89-D144 PolarHBondContact OG1-OD2 3.1Å; D144-K146 PolarHBondContact O-N 2.56Å; D144-K146 VanDerWaalsContact O-N 3.08Å
145Y91.3Very high91.4Very high240 Ų24077.2 Ų77.294%0.94140%0.401SS*.THydrogen-bonded Turntrans58.813.2-174.1-53.5-84.3000115.5L143L143-Y145 VanDerWaalsContact C-N 3.25Å; L143-Y145 PolarHBondContact O-N 3.09Å
146K93.5Very high90.2Very high83 Ų8383.2 Ų83.236%0.36142%0.424SS..EExtended strand (participates in β ladder)trans-117.3133.6-176.8-164.9160.6178.8-79.90110.5G84 L85 I142 L143 D144 I148G84-K146 VanDerWaalsContact C-NZ 3.29Å; G84-K146 PolarHBondContact O-NZ 3.43Å; L85-K146 PolarHBondContact O-NZ 3.01Å; I142-K146 WeakPolarHBondContact CA-O 3.42Å; L143-K146 PolarHBondContact N-O 3.22Å; L143-K146 WeakPolarHBondContact O-CA 3.32Å; L143-K146 WeakPolarHBondContact O-CB 3.45Å; L143-K146 PolarHBondContact O-N 3.39Å; D144-K146 PolarHBondContact O-N 2.56Å; D144-K146 VanDerWaalsContact O-N 3.08Å; K146-I148 PolarHBondContact O-N 3.42Å
147K93.8Very high88.9Confident150 Ų15088 Ų8865%0.65244%0.442SS*.EExtended strand (participates in β ladder)trans-67.5125.3174.1-175175.6178.2175.10109.3P140 H141P140-K147 HydrophobicContact CB-CD 4.5Å; H141-K147 WeakPolarHBondContact O-CA 3.38Å
148I94.8Very high87.1Confident3 Ų386 Ų862%0.01545%0.445CS..EExtended strand (participates in β ladder)trans-105.9156.7176.269.8178.2000110.3I82 G83 L85 Y97 F98 H141 L143 K146 P150I82-I148 HydrophobicContact CG2-CD1 4.14Å; G83-I148 WeakPolarHBondContact O-CA 3.45Å; G83-I148 WeakPolarHBondContact O-CB 3.44Å; L85-I148 HydrophobicContact CD2-CG2 4.2Å; Y97-I148 HydrophobicContact CD1-CD1 4.29Å; Y97-I148 HydrophobicContact CE1-CD1 4.08Å; F98-I148 HydrophobicContact CE2-CD1 3.8Å; F98-I148 HydrophobicContact CZ-CD1 3.61Å; H141-I148 HydrophobicContact CB-CD1 3.96Å; H141-I148 HydrophobicContact CB-CG1 3.45Å; H141-I148 VanDerWaalsContact CB-CG1 3.45Å; H141-I148 PolarHBondContact O-N 2.89Å; L143-I148 HydrophobicContact CB-CD1 4.04Å; L143-I148 HydrophobicContact CB-CG2 4.05Å; L143-I148 HydrophobicContact CD2-CD1 4.43Å; K146-I148 PolarHBondContact O-N 3.42Å; I148-P150 WeakPolarHBondContact O-CD 3.42Å
149D93Very high85.4Confident73 Ų7384.6 Ų84.639%0.3945%0.445SS..EExtended strand (participates in β ladder)trans-127.279.3-168.5179.735.6000109G83 K151G83-D149 PolarHBondContact N-O 3.46Å; G83-D149 PolarHBondContact O-N 3.04Å; D149-K151 VanDerWaalsContact CG-NZ 3.26Å; D149-K151 WeakPolarHBondContact OD1-CE 3.2Å; D149-K151 IonicContact OD1-NZ 2.84Å; D149-K151 PolarHBondContact OD1-NZ 2.92Å; D149-K151 VanDerWaalsContact OD1-NZ 3.07Å; D149-K151 WeakPolarHBondContact OD2-CE 3.21Å; D149-K151 IonicContact OD2-NZ 3.39Å; D149-K151 PolarHBondContact OD2-NZ 2.9Å
150P93.8Very high83.7Confident12 Ų1288.7 Ų88.78%0.07845%0.453CS..EExtended strand (participates in β ladder)trans-75.4131.5177.630.8-31.9000110.5M80 F81 I82 F98 V135 L136 H141 I148M80-P150 HydrophobicContact CE-CB 4.01Å; F81-P150 WeakPolarHBondContact O-CA 3.15Å; I82-P150 HydrophobicContact CD1-CB 3.73Å; F98-P150 HydrophobicContact CE1-CB 4.45Å; F98-P150 HydrophobicContact CZ-CB 4.41Å; V135-P150 HydrophobicContact CG1-CB 3.78Å; V135-P150 HydrophobicContact CG1-CG 3.79Å; L136-P150 WeakPolarHBondContact CD2-O 3.5Å; H141-P150 WeakPolarHBondContact CD2-CG 3.32Å; I148-P150 WeakPolarHBondContact O-CD 3.42Å
151K93.2Very high81.7Confident105 Ų10592.5 Ų92.546%0.45747%0.469SS..EExtended strand (participates in β ladder)trans-138.2158.2-178.4-76.8170.3172.1154.50110M80 F81 D149 A153M80-K151 CarbonylContact C-O 3.6Å; M80-K151 WeakPolarHBondContact CA-O 3.39Å; M80-K151 WeakPolarHBondContact CB-O 3.35Å; F81-K151 PolarHBondContact N-O 3.37Å; F81-K151 PolarHBondContact O-N 2.9Å; D149-K151 VanDerWaalsContact CG-NZ 3.26Å; D149-K151 WeakPolarHBondContact OD1-CE 3.2Å; D149-K151 IonicContact OD1-NZ 2.84Å; D149-K151 PolarHBondContact OD1-NZ 2.92Å; D149-K151 VanDerWaalsContact OD1-NZ 3.07Å; D149-K151 WeakPolarHBondContact OD2-CE 3.21Å; D149-K151 IonicContact OD2-NZ 3.39Å; D149-K151 PolarHBondContact OD2-NZ 2.9Å; K151-A153 PolarHBondContact O-N 3.28Å
152L92.4Very high79.6Confident110 Ų11097.2 Ų97.258%0.57650%0.497SS*.EExtended strand (participates in β ladder)trans-53.3134.1168.4-61.5178.3000109.7V132 L136 V154V132-L152 HydrophobicContact CG1-CD2 3.41Å; V132-L152 VanDerWaalsContact CG1-CD2 3.41Å; L136-L152 HydrophobicContact CD1-CD2 3.83Å; L136-L152 HydrophobicContact CD1-CG 4.13Å; L152-V154 PolarHBondContact O-N 3.24Å; L152-V154 VanDerWaalsContact O-N 3.16Å
153A89.6Confident77.5Confident22 Ų22101.6 Ų101.618%0.18251%0.513CS..  trans-70.2112.8176.400000109.6K79 F123 K151 P155K79-A153 HydrophobicContact CB-CB 3.91Å; K79-A153 HydrophobicContact CD-CB 4.37Å; K79-A153 HydrophobicContact CG-CB 3.88Å; K79-A153 WeakPolarHBondContact O-CB 3.3Å; K79-A153 PolarHBondContact O-N 3.14Å; F123-A153 HydrophobicContact CD1-CB 4.43Å; K151-A153 PolarHBondContact O-N 3.28Å; A153-P155 WeakPolarHBondContact O-CD 3.38Å
154V86.2Confident75.4Confident123 Ų123106.2 Ų106.275%0.74554%0.542SS*.  trans-62.6123.3171.2178.90000108.3L152 R156L152-V154 PolarHBondContact O-N 3.24Å; L152-V154 VanDerWaalsContact O-N 3.16Å; V154-R156 PolarHBondContact O-N 3.14Å; V154-R156 VanDerWaalsContact O-N 3.11Å
155P79.8Confident73.8Confident65 Ų65106.1 Ų106.142%0.42255%0.546SS..  trans-63.6116.8-175.423.9-34000110.5S74 A153 K157S74-P155 WeakPolarHBondContact O-CA 3.19Å; S74-P155 WeakPolarHBondContact O-CB 3.36Å; A153-P155 WeakPolarHBondContact O-CD 3.38Å; P155-K157 PolarHBondContact O-N 3.15Å
156R70.6Confident72.5Confident126 Ų12697.5 Ų97.548%0.47552%0.519SS..  trans-71.9100.6178.8-64.2-166.2-56.9-125.62.8108.8S74 V154 S158S74-R156 VanDerWaalsContact CB-O 3.31Å; S74-R156 WeakPolarHBondContact CB-O 3.43Å; S74-R156 PolarHBondContact OG-O 2.73Å; V154-R156 PolarHBondContact O-N 3.14Å; V154-R156 VanDerWaalsContact O-N 3.11Å; R156-S158 PolarHBondContact O-N 3.01Å
157K63Low71.3Confident172 Ų172100.3 Ų100.375%0.74853%0.531SS*.  trans-48.9114.3167.8-64.4-174.2179.3-174.70108.1P155 G159 Q160P155-K157 PolarHBondContact O-N 3.15Å; K157-G159 PolarHBondContact O-N 3.29Å; K157-Q160 WeakPolarHBondContact O-CB 3.44Å; K157-Q160 PolarHBondContact O-N 3.08Å
158S56.5Low70.8Confident117 Ų11794.4 Ų94.482%0.81851%0.507SS*.THydrogen-bonded Turntrans-58.8-26.8-154.653.60000115R156 Q160R156-S158 PolarHBondContact O-N 3.01Å; S158-Q160 PolarHBondContact O-N 3.24Å
159G53.6Low70.6Confident42 Ų4298.7 Ų98.743%0.43353%0.526SS..THydrogen-bonded Turntrans-79.3-2.5175.900000117K157 N161 T162K157-G159 PolarHBondContact O-N 3.29Å; G159-N161 VanDerWaalsContact C-N 3.29Å; G159-N161 PolarHBondContact O-N 2.96Å; G159-T162 PolarHBondContact O-N 2.96Å
160Q50.5Low70.5Confident149 Ų14998.4 Ų98.470%0.69652%0.519SS*.THydrogen-bonded Turntrans-68.1-20.7-166-160.7171.614.200115.2K157 S158K157-Q160 WeakPolarHBondContact O-CB 3.44Å; K157-Q160 PolarHBondContact O-N 3.08Å; S158-Q160 PolarHBondContact O-N 3.24Å
161N48.6Very low70.5Confident170 Ų17097.9 Ų97.991%0.90952%0.516SS*.THydrogen-bonded Turntrans-85.4-15.1170.5-111.4-5000113.1G159 K163G159-N161 VanDerWaalsContact C-N 3.29Å; G159-N161 PolarHBondContact O-N 2.96Å; N161-K163 PolarHBondContact O-N 2.73Å
162T50.2Low70.5Confident99 Ų9995.2 Ų95.261%0.60750%0.504SS*.SBendtrans-95.675.7-180-52.90000110G159 V164G159-T162 PolarHBondContact O-N 2.96Å; T162-V164 PolarHBondContact O-N 2.95Å
163K48.5Very low70.6Confident190 Ų19090 Ų9083%0.82648%0.477SS*.THydrogen-bonded Turntrans31.169.5169.6-67.3179.3-178.41660115N161 S165N161-K163 PolarHBondContact O-N 2.73Å; K163-S165 VanDerWaalsContact C-N 3.35Å; K163-S165 PolarHBondContact O-N 3.41Å
164V50Low70.8Confident115 Ų11589.3 Ų89.370%0.69747%0.471SS*.THydrogen-bonded Turntrans29.966166.4-170.40000112.8T162 T166T162-V164 PolarHBondContact O-N 2.95Å; V164-T166 HydrophobicContact CG1-CG2 4.19Å; V164-T166 PolarHBondContact O-N 2.78Å
165S57.3Low71.1Confident62 Ų6285 Ų8543%0.43445%0.452SS..  trans-70.872.6169.8-82.30000109.6K163 K167 K243K163-S165 VanDerWaalsContact C-N 3.35Å; K163-S165 PolarHBondContact O-N 3.41Å; S165-K167 PolarHBondContact O-N 2.88Å; S165-K243 PolarHBondContact OG-NZ 3.24Å
166T62.8Low71.8Confident60 Ų6082 Ų8237%0.36843%0.432SS..  trans-52.9123.7154.740.70000107V164 T168V164-T166 HydrophobicContact CG1-CG2 4.19Å; V164-T166 PolarHBondContact O-N 2.78Å; T166-T168 VanDerWaalsContact C-N 3.34Å; T166-T168 PolarHBondContact O-N 2.89Å; T166-T168 PolarHBondContact O-OG1 3.06Å
167K69.7Low72.8Confident141 Ų14176.6 Ų76.661%0.61342%0.415SS*.  trans-65.591.9177-74.3-158.3136.9-72.10109.3S165 E220 E224S165-K167 PolarHBondContact O-N 2.88Å; K167-E220 WeakPolarHBondContact CA-OE1 3.46Å; K167-E220 VanDerWaalsContact CB-CD 3.5Å; K167-E220 WeakPolarHBondContact CB-OE1 3.33Å; K167-E220 WeakPolarHBondContact CD-OE2 3.46Å; K167-E220 WeakPolarHBondContact CG-OE1 3.16Å; K167-E220 IonicContact NZ-OE1 2.67Å; K167-E220 PolarHBondContact NZ-OE1 2.96Å; K167-E220 IonicContact NZ-OE2 3.07Å; K167-E220 PolarHBondContact NZ-OE2 2.77Å; K167-E224 IonicContact NZ-OE2 2.72Å; K167-E224 PolarHBondContact NZ-OE2 2.79Å; K167-E224 VanDerWaalsContact NZ-OE2 3.12Å
168T82.7Confident74Confident26 Ų2672.6 Ų72.616%0.1641%0.405CS..  trans-124.5116.6-169.652.40000111.1T166 R170T166-T168 VanDerWaalsContact C-N 3.34Å; T166-T168 PolarHBondContact O-N 2.89Å; T166-T168 PolarHBondContact O-OG1 3.06Å; T168-R170 PolarHBondContact O-N 2.88Å; T168-R170 PolarHBondContact OG1-O 2.77Å
169K90.4Very high75.6Confident93 Ų9374.5 Ų74.540%0.40440%0.401SS..SBendtrans-53-20.7165.6-70.4-173.5177.7-153.60114.4T216 F217 E218K169-T216 HydrophobicContact CB-CG2 4.13Å; K169-T216 WeakPolarHBondContact O-CA 3.3Å; K169-F217 WeakPolarHBondContact CB-O 3.27Å; K169-F217 WeakPolarHBondContact CD-O 3.45Å; K169-F217 PolarHBondContact O-N 2.73Å; K169-E218 WeakPolarHBondContact CE-O 3.17Å; K169-E218 PolarHBondContact NZ-O 3.36Å
170R92.1Very high77.3Confident68 Ų6872.6 Ų72.626%0.25738%0.381SS..EExtended strand (participates in β ladder)trans-97.1127.5-176.2-167.4171170.6127.5-0.3111.4T168 E199 F214 V215 T216 A244T168-R170 PolarHBondContact O-N 2.88Å; T168-R170 PolarHBondContact OG1-O 2.77Å; R170-E199 IonicContact CZ-OE2 3.5Å; R170-E199 IonicContact NH1-OE2 2.67Å; R170-E199 PolarHBondContact NH1-OE2 3.24Å; R170-E199 IonicContact NH2-OE2 2.8Å; R170-E199 PolarHBondContact NH2-OE2 2.97Å; R170-F214 HydrophobicContact CG-CB 4.32Å; R170-F214 HydrophobicContact CG-CD1 4.38Å; R170-F214 VanDerWaalsContact NH2-CB 3.3Å; R170-V215 CarbonylContact C-O 3.45Å; R170-V215 WeakPolarHBondContact CA-O 3.29Å; R170-T216 HydrophobicContact CB-CG2 4.41Å; R170-A244 HydrophobicContact CB-CB 4.07Å; R170-A244 HydrophobicContact CG-CB 3.83Å; R170-A244 WeakPolarHBondContact O-CB 3.35Å; R170-A244 PolarHBondContact O-N 2.94Å
171V93.2Very high79.2Confident0 Ų068.2 Ų68.20%037%0.365CS..EExtended strand (participates in β ladder)trans-108.4139.7175.4-173.60000108.8I173 F214 V215 F217 A223 V226 A241 K242V171-I173 HydrophobicContact CB-CD1 4.32Å; V171-I173 HydrophobicContact CG1-CD1 3.62Å; V171-F214 VanDerWaalsContact O-CA 3.27Å; V171-F214 WeakPolarHBondContact O-CA 3.46Å; V171-V215 PolarHBondContact N-O 2.93Å; V171-V215 PolarHBondContact O-N 2.98Å; V171-F217 HydrophobicContact CB-CE2 4.42Å; V171-F217 HydrophobicContact CG2-CD2 3.99Å; V171-F217 HydrophobicContact CG2-CE2 3.74Å; V171-A223 HydrophobicContact CG2-CB 3.6Å; V171-V226 HydrophobicContact CG1-CG1 4Å; V171-V226 HydrophobicContact CG2-CG1 4.47Å; V171-A241 HydrophobicContact CG1-CB 4.21Å; V171-K242 CarbonylContact C-O 3.59Å; V171-K242 WeakPolarHBondContact CG1-O 3.45Å
172F93.5Very high81.3Confident49 Ų4963.1 Ų63.122%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-89.1128.2166.7168.4-90.5000108.8F212 F214 K242 A244F172-F212 HydrophobicContact CD2-CD2 4.46Å; F172-F212 HydrophobicContact CE2-CB 3.89Å; F172-F212 AromaticContact CE2-CD2 3.66Å; F172-F212 HydrophobicContact CE2-CD2 3.66Å; F172-F212 HydrophobicContact CE2-CE2 4.44Å; F172-F212 HydrophobicContact CE2-CG 4Å; F172-F212 HydrophobicContact CZ-CB 3.91Å; F172-F212 HydrophobicContact CZ-CD2 4.44Å; F172-F212 HydrophobicContact CZ-CG 4.35Å; F172-F214 HydrophobicContact CB-CD1 4.29Å; F172-F214 HydrophobicContact CB-CE1 4.21Å; F172-F214 HydrophobicContact CD2-CD1 4.41Å; F172-F214 AromaticContact CD2-CE1 3.86Å; F172-F214 HydrophobicContact CD2-CE1 3.86Å; F172-F214 HydrophobicContact CD2-CZ 4.15Å; F172-K242 HydrophobicContact CD1-CB 4.39Å; F172-K242 PolarHBondContact N-O 3.34Å; F172-K242 PolarHBondContact O-N 2.95Å; F172-A244 HydrophobicContact CB-CB 4.31Å
173I93.8Very high83.3Confident2 Ų265.6 Ų65.61%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-114.5108.8-179-57.5-55.6000107.6V171 V176 L185 F189 F212 G213 V215 V239 A241V171-I173 HydrophobicContact CB-CD1 4.32Å; V171-I173 HydrophobicContact CG1-CD1 3.62Å; I173-V176 HydrophobicContact CG2-CG2 3.9Å; I173-L185 HydrophobicContact CG2-CD2 4.29Å; I173-F189 HydrophobicContact CD1-CE1 4.04Å; I173-F189 HydrophobicContact CD1-CE2 3.84Å; I173-F189 HydrophobicContact CD1-CZ 3.56Å; I173-F189 HydrophobicContact CG1-CE2 4Å; I173-F189 HydrophobicContact CG1-CZ 4.23Å; I173-F189 HydrophobicContact CG2-CE2 4Å; I173-F189 HydrophobicContact CG2-CZ 4.27Å; I173-F212 CarbonylContact O-C 3.51Å; I173-F212 WeakPolarHBondContact O-CA 3.44Å; I173-F212 WeakPolarHBondContact O-CB 3.5Å; I173-G213 PolarHBondContact N-O 2.98Å; I173-G213 PolarHBondContact O-N 2.88Å; I173-V215 HydrophobicContact CG1-CB 4.37Å; I173-V215 HydrophobicContact CG1-CG2 3.81Å; I173-V239 HydrophobicContact CG2-CG1 3.29Å; I173-A241 HydrophobicContact CD1-CB 4.11Å
174G93.6Very high85.4Confident6 Ų659.2 Ų59.26%0.06232%0.315CS..EExtended strand (participates in β ladder)trans-110.8154.6-177.100000112.8V239 E240G174-V239 CarbonylContact O-C 3.6Å; G174-V239 WeakPolarHBondContact O-CA 3.42Å; G174-V239 WeakPolarHBondContact O-CG1 3.25Å; G174-E240 PolarHBondContact N-O 3.28Å; G174-E240 PolarHBondContact O-N 3.25Å
175G92.8Very high87.4Confident33 Ų3354 Ų5434%0.3428%0.283SS..  trans84.17.7175.300000115.3G211 K237G175-G211 CarbonylContact C-O 3.49Å; G175-G211 PolarHBondContact N-O 3.38Å; G175-K237 VanDerWaalsContact O-CD 3.24Å; G175-K237 WeakPolarHBondContact O-CD 3.2Å; G175-K237 WeakPolarHBondContact O-CE 3.44Å; G175-K237 PolarHBondContact O-NZ 3.23Å
176V93.4Very high89.1Confident1 Ų152.9 Ų52.91%0.00628%0.275CS..  trans-47.8139.4177.9-173.90000111.9I173 T180 L185 L200 H209 G211 K237 V239I173-V176 HydrophobicContact CG2-CG2 3.9Å; V176-T180 HydrophobicContact CG1-CG2 3.98Å; V176-L185 HydrophobicContact CG1-CD1 4.16Å; V176-L185 HydrophobicContact CG1-CD2 4.49Å; V176-L185 HydrophobicContact CG2-CD1 4.4Å; V176-L185 HydrophobicContact CG2-CD2 4.39Å; V176-L200 HydrophobicContact CG1-CD1 4.38Å; V176-L200 HydrophobicContact CG2-CD1 4.48Å; V176-H209 WeakPolarHBondContact CB-CE1 3.44Å; V176-H209 WeakPolarHBondContact CG1-CE1 3.43Å; V176-H209 PolarHBondContact O-CE1 3.17Å; V176-G211 PolarHBondContact N-O 3.48Å; V176-K237 PolarHBondContact O-NZ 3.32Å; V176-V239 HydrophobicContact CG2-CG1 4.35Å
177A92.3Very high90.6Very high13 Ų1357.4 Ų57.411%0.10729%0.292CS..  trans-73.2143.7178.300000111.2Q179 T180 H209 H235 K237A177-Q179 PolarHBondContact O-N 2.9Å; A177-T180 WeakPolarHBondContact O-CB 3.35Å; A177-T180 PolarHBondContact O-N 3.02Å; A177-T180 PolarHBondContact O-OG1 2.59Å; A177-H209 VanDerWaalsContact C-NE2 3.3Å; A177-H209 PolarHBondContact N-CE1 3.2Å; A177-H209 PolarHBondContact O-CE1 3.12Å; A177-H209 PolarHBondContact O-NE2 2.92Å; A177-H235 HydrophobicContact CB-CB 4.09Å; A177-K237 HydrophobicContact CB-CB 4.32Å; A177-K237 HydrophobicContact CB-CD 3.74Å
178T89.2Confident91.7Very high88 Ų8853.6 Ų53.654%0.5427%0.274SS..THydrogen-bonded Turntrans-67.40.2-171.351.10000115.5H209T178-H209 VanDerWaalsContact CA-NE2 3.31Å; T178-H209 WeakPolarHBondContact CA-NE2 3.29Å
179Q88.7Confident92.2Very high158 Ų15852.3 Ų52.374%0.73827%0.267SS*.THydrogen-bonded Turntrans-103-22.7175.3-60.8175.89.500111.8A177 H209A177-Q179 PolarHBondContact O-N 2.9Å; Q179-H209 PolarHBondContact N-NE2 3.21Å
180T89.5Confident92.4Very high2 Ų251 Ų511%0.01227%0.269CS..  trans-70.3129.9-170.2-53.90000112V176 A177 E184 L185 H209 H235V176-T180 HydrophobicContact CG1-CG2 3.98Å; A177-T180 WeakPolarHBondContact O-CB 3.35Å; A177-T180 PolarHBondContact O-N 3.02Å; A177-T180 PolarHBondContact O-OG1 2.59Å; T180-E184 WeakPolarHBondContact CA-OE2 3.48Å; T180-E184 HydrophobicContact CG2-CB 4.18Å; T180-E184 VanDerWaalsContact CG2-OE2 3.25Å; T180-E184 WeakPolarHBondContact CG2-OE2 3.44Å; T180-L185 HydrophobicContact CG2-CD2 4.32Å; T180-L185 HydrophobicContact CG2-CG 3.97Å; T180-H209 PolarHBondContact N-NE2 3.24Å; T180-H209 PolarHBondContact O-NE2 2.91Å; T180-H235 PolarHBondContact OG1-ND1 2.8Å; T180-H235 VanDerWaalsContact OG1-ND1 3.13Å
181T91.5Very high92.4Very high57 Ų5753.8 Ų53.835%0.3529%0.285SS..  trans-85.2172.7-179.766.90000112.9E183 E184 L185T181-E183 VanDerWaalsContact C-N 3.3Å; T181-E183 PolarHBondContact OG1-N 2.73Å; T181-E184 VanDerWaalsContact CB-OE1 3.28Å; T181-E184 WeakPolarHBondContact CB-OE1 3.43Å; T181-E184 WeakPolarHBondContact CG2-OE1 3.08Å; T181-E184 VanDerWaalsContact N-CD 3.35Å; T181-E184 PolarHBondContact N-OE1 3.28Å; T181-E184 PolarHBondContact N-OE2 3.25Å; T181-E184 WeakPolarHBondContact OG1-CG 3.42Å; T181-E184 PolarHBondContact OG1-N 2.78Å; T181-E184 PolarHBondContact OG1-OE1 3.18Å; T181-L185 WeakPolarHBondContact O-CD1 3.18Å; T181-L185 WeakPolarHBondContact O-CG 3.12Å
182N91.7Very high92.3Very high62 Ų6255.8 Ų55.833%0.33229%0.294SS..Hα-helixtrans-69.2-30.1171.2177.9-116.6000112.1S186 C198 L200N182-S186 WeakPolarHBondContact O-CB 3.41Å; N182-S186 PolarHBondContact O-N 2.67Å; N182-C198 PolarHBondContact ND2-O 3.29Å; N182-C198 PolarHBondContact ND2-SG 2.72Å; N182-L200 HydrophobicContact CB-CB 4.32Å
183E92.8Very high92.3Very high152 Ų15254.4 Ų54.471%0.7129%0.294SS*.Hα-helixtrans-71-48.4-178.3-67.4170.3-159.900111T181 L185 S186 E187T181-E183 VanDerWaalsContact C-N 3.3Å; T181-E183 PolarHBondContact OG1-N 2.73Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 PolarHBondContact O-N 3.25Å; E183-S186 CarbonylContact O-C 3.51Å; E183-S186 WeakPolarHBondContact O-CA 3.43Å; E183-S186 WeakPolarHBondContact O-CB 3.28Å; E183-S186 PolarHBondContact O-N 2.87Å; E183-E187 PolarHBondContact O-N 3.31Å
184E92.2Very high92.3Very high55 Ų5560.5 Ų60.526%0.25732%0.32SS..Hα-helixtrans-58.8-39.5174.7-67.3144-133.700112.7T180 T181 S186 Y188 H235T180-E184 WeakPolarHBondContact CA-OE2 3.48Å; T180-E184 HydrophobicContact CG2-CB 4.18Å; T180-E184 VanDerWaalsContact CG2-OE2 3.25Å; T180-E184 WeakPolarHBondContact CG2-OE2 3.44Å; T181-E184 VanDerWaalsContact CB-OE1 3.28Å; T181-E184 WeakPolarHBondContact CB-OE1 3.43Å; T181-E184 WeakPolarHBondContact CG2-OE1 3.08Å; T181-E184 VanDerWaalsContact N-CD 3.35Å; T181-E184 PolarHBondContact N-OE1 3.28Å; T181-E184 PolarHBondContact N-OE2 3.25Å; T181-E184 WeakPolarHBondContact OG1-CG 3.42Å; T181-E184 PolarHBondContact OG1-N 2.78Å; T181-E184 PolarHBondContact OG1-OE1 3.18Å; E184-S186 VanDerWaalsContact C-N 3.33Å; E184-Y188 VanDerWaalsContact O-CB 3.27Å; E184-Y188 WeakPolarHBondContact O-CB 3.22Å; E184-Y188 PolarHBondContact O-N 2.68Å; E184-H235 IonicContact OE2-CE1 2.96Å; E184-H235 PolarHBondContact OE2-CE1 3.21Å; E184-H235 IonicContact OE2-ND1 3.76Å; E184-H235 IonicContact OE2-NE2 3.62Å
185L92.2Very high92.3Very high7 Ų761.8 Ų61.84%0.03733%0.325CS..Hα-helixtrans-65.1-39.4173.3-73.4167.8000111.2I173 V176 T180 T181 E183 F189 L200 L234I173-L185 HydrophobicContact CG2-CD2 4.29Å; V176-L185 HydrophobicContact CG1-CD1 4.16Å; V176-L185 HydrophobicContact CG1-CD2 4.49Å; V176-L185 HydrophobicContact CG2-CD1 4.4Å; V176-L185 HydrophobicContact CG2-CD2 4.39Å; T180-L185 HydrophobicContact CG2-CD2 4.32Å; T180-L185 HydrophobicContact CG2-CG 3.97Å; T181-L185 WeakPolarHBondContact O-CD1 3.18Å; T181-L185 WeakPolarHBondContact O-CG 3.12Å; E183-L185 VanDerWaalsContact C-N 3.31Å; E183-L185 PolarHBondContact O-N 3.25Å; L185-F189 HydrophobicContact CD2-CD2 4.44Å; L185-F189 HydrophobicContact CD2-CE2 3.96Å; L185-F189 WeakPolarHBondContact O-CB 3.03Å; L185-F189 WeakPolarHBondContact O-CD2 3.29Å; L185-F189 PolarHBondContact O-N 3.19Å; L185-L200 HydrophobicContact CD1-CD1 3.83Å; L185-L200 HydrophobicContact CD1-CD2 4.23Å; L185-L200 HydrophobicContact CD1-CG 4.43Å; L185-L234 HydrophobicContact CD2-CD1 3.73Å
186S93.2Very high92.4Very high38 Ų3866.2 Ų66.227%0.26634%0.337SS..Hα-helixtrans-62.9-50.6177.1-153.60000110.9N182 E183 E184 F189 S190 L195 C198N182-S186 WeakPolarHBondContact O-CB 3.41Å; N182-S186 PolarHBondContact O-N 2.67Å; E183-S186 CarbonylContact O-C 3.51Å; E183-S186 WeakPolarHBondContact O-CA 3.43Å; E183-S186 WeakPolarHBondContact O-CB 3.28Å; E183-S186 PolarHBondContact O-N 2.87Å; E184-S186 VanDerWaalsContact C-N 3.33Å; S186-F189 PolarHBondContact O-N 3.06Å; S186-S190 VanDerWaalsContact O-CB 3.26Å; S186-S190 WeakPolarHBondContact O-CB 3.26Å; S186-S190 PolarHBondContact O-N 3.5Å; S186-L195 VanDerWaalsContact O-CD1 3.32Å; S186-L195 WeakPolarHBondContact O-CD1 3.46Å; S186-C198 PolarHBondContact OG-SG 2.83Å
187E94.1Very high92.4Very high154 Ų15469.2 Ų69.272%0.7236%0.358SS*.Hα-helixtrans-61-49.8179.3-174.6172.1-15400111.5E183 F189 S190E183-E187 PolarHBondContact O-N 3.31Å; E187-F189 PolarHBondContact O-N 2.98Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 2.81Å
188Y93.2Very high92.5Very high61 Ų6169.8 Ų69.824%0.23936%0.361CS..Hα-helixtrans-62.9-40.1178.7-178.7-88.6000112.8E184 Q191 F192 H232 L234E184-Y188 VanDerWaalsContact O-CB 3.27Å; E184-Y188 WeakPolarHBondContact O-CB 3.22Å; E184-Y188 PolarHBondContact O-N 2.68Å; Y188-Q191 VanDerWaalsContact CE2-NE2 3.31Å; Y188-Q191 VanDerWaalsContact O-CG 3.24Å; Y188-Q191 WeakPolarHBondContact O-CG 3.46Å; Y188-Q191 PolarHBondContact O-NE2 2.97Å; Y188-F192 HydrophobicContact CD1-CE2 4.34Å; Y188-F192 AromaticContact CE1-CE2 3.86Å; Y188-F192 HydrophobicContact CE1-CE2 3.86Å; Y188-F192 HydrophobicContact CE1-CZ 4.37Å; Y188-H232 HydrophobicContact CE1-CB 3.73Å; Y188-H232 AromaticContact CE1-CG 3.79Å; Y188-H232 AromaticContact CE1-ND1 3.49Å; Y188-H232 WeakPolarHBondContact CE1-ND1 3.39Å; Y188-H232 AromaticContact CZ-ND1 3.73Å; Y188-H232 WeakPolarHBondContact OH-CB 3.21Å; Y188-H232 PolarHBondContact OH-ND1 2.94Å; Y188-L234 HydrophobicContact CD1-CD1 4.14Å; Y188-L234 HydrophobicContact CD1-CD2 4.27Å; Y188-L234 HydrophobicContact CD1-CG 4.35Å; Y188-L234 HydrophobicContact CD2-CD2 3.84Å; Y188-L234 HydrophobicContact CD2-CG 4.39Å; Y188-L234 HydrophobicContact CE1-CD1 4.49Å; Y188-L234 HydrophobicContact CE2-CD2 4.48Å; Y188-L234 HydrophobicContact CG-CD1 4.42Å; Y188-L234 HydrophobicContact CG-CD2 3.73Å; Y188-L234 HydrophobicContact CG-CG 4.26Å
189F93.4Very high92.6Very high0 Ų068.7 Ų68.70%035%0.349CS..Hα-helixtrans-80.2-21.6179.1-74.8-64.3000113.6I173 L185 S186 E187 Q191 F192 L195 V215 F217 V226 L234I173-F189 HydrophobicContact CD1-CE1 4.04Å; I173-F189 HydrophobicContact CD1-CE2 3.84Å; I173-F189 HydrophobicContact CD1-CZ 3.56Å; I173-F189 HydrophobicContact CG1-CE2 4Å; I173-F189 HydrophobicContact CG1-CZ 4.23Å; I173-F189 HydrophobicContact CG2-CE2 4Å; I173-F189 HydrophobicContact CG2-CZ 4.27Å; L185-F189 HydrophobicContact CD2-CD2 4.44Å; L185-F189 HydrophobicContact CD2-CE2 3.96Å; L185-F189 WeakPolarHBondContact O-CB 3.03Å; L185-F189 WeakPolarHBondContact O-CD2 3.29Å; L185-F189 PolarHBondContact O-N 3.19Å; S186-F189 PolarHBondContact O-N 3.06Å; E187-F189 PolarHBondContact O-N 2.98Å; F189-Q191 PolarHBondContact O-N 2.94Å; F189-F192 AromaticContact CD1-CD2 3.95Å; F189-F192 HydrophobicContact CD1-CD2 3.95Å; F189-F192 HydrophobicContact CD1-CE2 4.02Å; F189-F192 HydrophobicContact CE1-CE2 4.35Å; F189-F192 PolarHBondContact O-N 2.99Å; F189-F192 VanDerWaalsContact O-N 3.14Å; F189-L195 HydrophobicContact CB-CD1 4.26Å; F189-L195 HydrophobicContact CB-CD2 4.29Å; F189-V215 HydrophobicContact CB-CG1 4.1Å; F189-V215 HydrophobicContact CD2-CG2 3.87Å; F189-V215 HydrophobicContact CE2-CG2 4.5Å; F189-V215 HydrophobicContact CG-CG2 4.33Å; F189-F217 HydrophobicContact CB-CE1 4.48Å; F189-F217 HydrophobicContact CB-CZ 4.03Å; F189-F217 HydrophobicContact CD1-CZ 4.31Å; F189-F217 HydrophobicContact CG-CZ 4.48Å; F189-F217 WeakPolarHBondContact O-CE1 3.22Å; F189-V226 HydrophobicContact CD1-CG1 4.08Å; F189-V226 HydrophobicContact CD1-CG2 4.04Å; F189-V226 HydrophobicContact CE1-CG1 3.77Å; F189-V226 HydrophobicContact CE1-CG2 4.37Å; F189-L234 HydrophobicContact CE2-CD1 4.41Å
190S93.1Very high92.8Very high65 Ų6562.2 Ų62.246%0.45532%0.32SS..Hα-helixtrans-57.8-30.1173.5-167.90000113.1S186 E187 F192 G193S186-S190 VanDerWaalsContact O-CB 3.26Å; S186-S190 WeakPolarHBondContact O-CB 3.26Å; S186-S190 PolarHBondContact O-N 3.5Å; E187-S190 WeakPolarHBondContact O-CB 3.45Å; E187-S190 PolarHBondContact O-N 2.81Å; S190-F192 PolarHBondContact O-N 3.03Å; S190-F192 VanDerWaalsContact O-N 3.15Å; S190-G193 CarbonylContact O-C 3.54Å; S190-G193 PolarHBondContact O-N 3.25Å
191Q92.7Very high92.9Very high126 Ų12664.2 Ų64.259%0.58933%0.33SS*.THydrogen-bonded Turntrans-62-22178.285.3-166.8-54.900113.9Y188 F189Y188-Q191 VanDerWaalsContact CE2-NE2 3.31Å; Y188-Q191 VanDerWaalsContact O-CG 3.24Å; Y188-Q191 WeakPolarHBondContact O-CG 3.46Å; Y188-Q191 PolarHBondContact O-NE2 2.97Å; F189-Q191 PolarHBondContact O-N 2.94Å
192F91.5Very high92.9Very high43 Ų4366.1 Ų66.119%0.18934%0.336CS..THydrogen-bonded Turntrans-90.7-9.2175.8-54.8-77.8000113Y188 F189 S190 F217 S222 V226 I229 H232Y188-F192 HydrophobicContact CD1-CE2 4.34Å; Y188-F192 AromaticContact CE1-CE2 3.86Å; Y188-F192 HydrophobicContact CE1-CE2 3.86Å; Y188-F192 HydrophobicContact CE1-CZ 4.37Å; F189-F192 AromaticContact CD1-CD2 3.95Å; F189-F192 HydrophobicContact CD1-CD2 3.95Å; F189-F192 HydrophobicContact CD1-CE2 4.02Å; F189-F192 HydrophobicContact CE1-CE2 4.35Å; F189-F192 PolarHBondContact O-N 2.99Å; F189-F192 VanDerWaalsContact O-N 3.14Å; S190-F192 PolarHBondContact O-N 3.03Å; S190-F192 VanDerWaalsContact O-N 3.15Å; F192-F217 HydrophobicContact CB-CE1 4.3Å; F192-S222 WeakPolarHBondContact O-CB 3.2Å; F192-S222 PolarHBondContact O-OG 3.37Å; F192-V226 HydrophobicContact CB-CG2 3.63Å; F192-V226 HydrophobicContact CD1-CG2 4.02Å; F192-V226 HydrophobicContact CD2-CG2 3.43Å; F192-V226 VanDerWaalsContact CD2-CG2 3.43Å; F192-V226 HydrophobicContact CE2-CG2 4.07Å; F192-V226 HydrophobicContact CG-CG2 3.4Å; F192-V226 VanDerWaalsContact CG-CG2 3.4Å; F192-I229 HydrophobicContact CD1-CD1 4.33Å; F192-I229 HydrophobicContact CE1-CD1 3.51Å; F192-I229 HydrophobicContact CZ-CD1 4.08Å; F192-H232 AromaticContact CE2-CE1 3.88Å; F192-H232 AromaticContact CZ-CE1 3.6Å; F192-H232 AromaticContact CZ-ND1 3.8Å
193G92.7Very high92.8Very high20 Ų2065.4 Ų65.421%0.20633%0.332CS..SBendtrans141.4167.7176.700000113.2S190 L195 S222S190-G193 CarbonylContact O-C 3.54Å; S190-G193 PolarHBondContact O-N 3.25Å; G193-L195 PolarHBondContact O-N 2.58Å; G193-S222 WeakPolarHBondContact CA-OG 3.48Å
194K94.7Very high92.7Very high130 Ų13067.7 Ų67.757%0.56534%0.34SS*.  trans-59.8129.7-172.5179157.8159.6-111.20112.5E218K194-E218 HydrophobicContact CB-CB 4.48Å; K194-E218 WeakPolarHBondContact CD-OE2 3.44Å; K194-E218 WeakPolarHBondContact CE-OE2 3.47Å; K194-E218 HydrophobicContact CG-CB 4.43Å; K194-E218 WeakPolarHBondContact CG-OE2 3.09Å; K194-E218 IonicContact NZ-OE1 3.64Å; K194-E218 PolarHBondContact NZ-OE1 3.02Å; K194-E218 IonicContact NZ-OE2 2.77Å; K194-E218 PolarHBondContact NZ-OE2 2.88Å; K194-E218 PolarHBondContact O-N 3.19Å
195L94.2Very high92.6Very high32 Ų3269.9 Ų69.917%0.16836%0.361CS..EExtended strand (participates in β ladder)trans-87.1141.2178-56-170.3000111.4S186 F189 G193 V215 F217S186-L195 VanDerWaalsContact O-CD1 3.32Å; S186-L195 WeakPolarHBondContact O-CD1 3.46Å; F189-L195 HydrophobicContact CB-CD1 4.26Å; F189-L195 HydrophobicContact CB-CD2 4.29Å; G193-L195 PolarHBondContact O-N 2.58Å; L195-V215 HydrophobicContact CD1-CG1 4.09Å; L195-V215 HydrophobicContact CD2-CG1 3.52Å; L195-V215 HydrophobicContact CG-CG1 4.4Å; L195-F217 HydrophobicContact CD2-CD1 3.39Å; L195-F217 HydrophobicContact CD2-CE1 3.27Å; L195-F217 HydrophobicContact CD2-CE2 4.43Å; L195-F217 HydrophobicContact CD2-CG 4.05Å; L195-F217 HydrophobicContact CD2-CZ 3.83Å
196E94.6Very high92.4Very high127 Ų12773.8 Ų73.859%0.59339%0.385SS*.EExtended strand (participates in β ladder)trans-91.9-41.3170.2-173.4-176149.700110.5T216E196-T216 HydrophobicContact CB-CG2 4.21Å; E196-T216 PolarHBondContact N-O 3.36Å
197S93Very high92.1Very high63 Ų6378.1 Ų78.144%0.44141%0.405SS..EExtended strand (participates in β ladder)trans-166.3138.7178-177.20000112.7T216S197-T216 PolarHBondContact N-O 3.19Å; S197-T216 PolarHBondContact O-N 3.04Å
198C93.3Very high91.8Very high25 Ų2578.1 Ų78.117%0.16940%0.399CS..EExtended strand (participates in β ladder)trans-117.1123172.351.10000110.9N182 S186 F214 V215N182-C198 PolarHBondContact ND2-O 3.29Å; N182-C198 PolarHBondContact ND2-SG 2.72Å; S186-C198 PolarHBondContact OG-SG 2.83Å; C198-F214 CarbonylContact C-O 3.46Å; C198-F214 WeakPolarHBondContact CA-O 3.01Å; C198-V215 HydrophobicContact CB-CG2 4.44Å
199E92.3Very high91.7Very high65 Ų6576 Ų7630%0.30439%0.391SS..EExtended strand (participates in β ladder)trans-121.697.9-174.6-176.1-171.2172.700109.6R170 M201 G213 F214 K247R170-E199 IonicContact CZ-OE2 3.5Å; R170-E199 IonicContact NH1-OE2 2.67Å; R170-E199 PolarHBondContact NH1-OE2 3.24Å; R170-E199 IonicContact NH2-OE2 2.8Å; R170-E199 PolarHBondContact NH2-OE2 2.97Å; E199-M201 HydrophobicContact CG-SD 3.99Å; E199-M201 VanDerWaalsContact OE1-SD 3.39Å; E199-G213 CarbonylContact O-C 3.49Å; E199-G213 WeakPolarHBondContact O-CA 3.4Å; E199-F214 PolarHBondContact N-O 2.84Å; E199-F214 PolarHBondContact O-N 3.08Å; E199-K247 IonicContact OE1-NZ 3.12Å; E199-K247 PolarHBondContact OE1-NZ 2.87Å; E199-K247 IonicContact OE2-NZ 2.65Å
200L92.9Very high91.6Very high23 Ų2383.1 Ų83.112%0.1242%0.418CS..EExtended strand (participates in β ladder)trans-83.4125173.5-175.260000110.1V176 N182 L185 M202 H209V176-L200 HydrophobicContact CG1-CD1 4.38Å; V176-L200 HydrophobicContact CG2-CD1 4.48Å; N182-L200 HydrophobicContact CB-CB 4.32Å; L185-L200 HydrophobicContact CD1-CD1 3.83Å; L185-L200 HydrophobicContact CD1-CD2 4.23Å; L185-L200 HydrophobicContact CD1-CG 4.43Å; L200-M202 HydrophobicContact CG-SD 4.48Å; L200-M202 PolarHBondContact O-N 2.87Å; L200-M202 VanDerWaalsContact O-N 3.13Å; L200-H209 HydrophobicContact CD1-CB 4.06Å; L200-H209 HydrophobicContact CD2-CB 3.84Å; L200-H209 HydrophobicContact CG-CB 3.69Å
201M91.8Very high91.5Very high43 Ų4380.8 Ų80.821%0.21240%0.404CS..EExtended strand (participates in β ladder)trans-82.699.9-168.2-66-60.4-45.900112.2E199 R210 F212 F214E199-M201 HydrophobicContact CG-SD 3.99Å; E199-M201 VanDerWaalsContact OE1-SD 3.39Å; M201-R210 WeakPolarHBondContact O-CB 3.03Å; M201-R210 VanDerWaalsContact O-CG 3.31Å; M201-R210 WeakPolarHBondContact O-CG 3.1Å; M201-R210 PolarHBondContact O-N 2.86Å; M201-F212 HydrophobicContact CB-CD2 4.11Å; M201-F212 HydrophobicContact CB-CE2 3.85Å; M201-F212 HydrophobicContact CB-CZ 4.13Å; M201-F212 WeakPolarHBondContact CB-O 3.31Å; M201-F212 HydrophobicContact CG-CD2 3.83Å; M201-F212 HydrophobicContact CG-CE2 3.54Å; M201-F212 HydrophobicContact CG-CZ 4.26Å; M201-F212 PolarHBondContact N-O 3.39Å; M201-F214 HydrophobicContact CG-CD2 4.2Å; M201-F214 HydrophobicContact CG-CE2 4.05Å; M201-F214 HydrophobicContact SD-CD2 4.2Å; M201-F214 HydrophobicContact SD-CE2 4.12Å
202M90.5Very high91.6Very high98 Ų9877 Ų7748%0.48339%0.386SS..EExtended strand (participates in β ladder)trans-74144.1176.5-51.1-51.7-76.200112.8L200 N207 H209L200-M202 HydrophobicContact CG-SD 4.48Å; L200-M202 PolarHBondContact O-N 2.87Å; L200-M202 VanDerWaalsContact O-N 3.13Å; M202-N207 WeakPolarHBondContact CE-O 3.49Å; M202-H209 HydrophobicContact CE-CB 4.28Å; M202-H209 HydrophobicContact SD-CB 3.59Å; M202-H209 VanDerWaalsContact SD-CB 3.59Å
203D91.1Very high91.7Very high47 Ų4775 Ų7525%0.25138%0.378SS..  trans-84.1128.5160.3167.338.5000110S205 T206 N207 R208 R210D203-S205 VanDerWaalsContact C-N 3.27Å; D203-S205 PolarHBondContact O-N 2.98Å; D203-S205 PolarHBondContact OD1-N 2.86Å; D203-S205 PolarHBondContact OD1-OG 2.96Å; D203-S205 PolarHBondContact OD2-N 3.42Å; D203-S205 PolarHBondContact OD2-OG 3.36Å; D203-T206 WeakPolarHBondContact OD2-CB 3.42Å; D203-T206 WeakPolarHBondContact OD2-CG2 3.38Å; D203-T206 PolarHBondContact OD2-N 2.86Å; D203-T206 PolarHBondContact OD2-OG1 3.16Å; D203-N207 VanDerWaalsContact O-CA 3.3Å; D203-N207 WeakPolarHBondContact O-CA 3.47Å; D203-N207 PolarHBondContact O-N 2.67Å; D203-R208 PolarHBondContact N-O 2.89Å; D203-R210 HydrophobicContact CB-CG 4.03Å
204K90.3Very high91.8Very high200 Ų20074.9 Ų74.987%0.8737%0.371SS*.THydrogen-bonded Turntrans-72-16.4-179-60.5-170177.1-168.20113.8
205S89.1Confident91.8Very high100 Ų10068.9 Ų68.970%0.69935%0.346SS*.THydrogen-bonded Turntrans-91.1-36.4-178.176.80000113.3D203D203-S205 VanDerWaalsContact C-N 3.27Å; D203-S205 PolarHBondContact O-N 2.98Å; D203-S205 PolarHBondContact OD1-N 2.86Å; D203-S205 PolarHBondContact OD1-OG 2.96Å; D203-S205 PolarHBondContact OD2-N 3.42Å; D203-S205 PolarHBondContact OD2-OG 3.36Å
206T89.2Confident91.8Very high89 Ų8968.2 Ų68.255%0.54634%0.343SS..THydrogen-bonded Turntrans-107.7-7.8-178.259.60000114.5D203 R208D203-T206 WeakPolarHBondContact OD2-CB 3.42Å; D203-T206 WeakPolarHBondContact OD2-CG2 3.38Å; D203-T206 PolarHBondContact OD2-N 2.86Å; D203-T206 PolarHBondContact OD2-OG1 3.16Å; T206-R208 PolarHBondContact O-N 3.11Å; T206-R208 PolarHBondContact OG1-N 3.07Å
207N86.5Confident91.8Very high129 Ų12962.1 Ų62.169%0.6932%0.315SS*.  trans52.619.9-169.1-65.9-48.1000114.3M202 D203M202-N207 WeakPolarHBondContact CE-O 3.49Å; D203-N207 VanDerWaalsContact O-CA 3.3Å; D203-N207 WeakPolarHBondContact O-CA 3.47Å; D203-N207 PolarHBondContact O-N 2.67Å
208R88Confident91.9Very high154 Ų15463.6 Ų63.658%0.58132%0.315SS*.  trans-97.2144.8173.8-171.5174.5-69.1-171.7-2.1109.5D203 T206D203-R208 PolarHBondContact N-O 2.89Å; T206-R208 PolarHBondContact O-N 3.11Å; T206-R208 PolarHBondContact OG1-N 3.07Å
209H91.3Very high91.8Very high17 Ų1764.8 Ų64.88%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-70.3149.517272.585.7000111.8V176 A177 T178 Q179 T180 L200 M202 G211V176-H209 WeakPolarHBondContact CB-CE1 3.44Å; V176-H209 WeakPolarHBondContact CG1-CE1 3.43Å; V176-H209 PolarHBondContact O-CE1 3.17Å; A177-H209 VanDerWaalsContact C-NE2 3.3Å; A177-H209 PolarHBondContact N-CE1 3.2Å; A177-H209 PolarHBondContact O-CE1 3.12Å; A177-H209 PolarHBondContact O-NE2 2.92Å; T178-H209 VanDerWaalsContact CA-NE2 3.31Å; T178-H209 WeakPolarHBondContact CA-NE2 3.29Å; Q179-H209 PolarHBondContact N-NE2 3.21Å; T180-H209 PolarHBondContact N-NE2 3.24Å; T180-H209 PolarHBondContact O-NE2 2.91Å; L200-H209 HydrophobicContact CD1-CB 4.06Å; L200-H209 HydrophobicContact CD2-CB 3.84Å; L200-H209 HydrophobicContact CG-CB 3.69Å; M202-H209 HydrophobicContact CE-CB 4.28Å; M202-H209 HydrophobicContact SD-CB 3.59Å; M202-H209 VanDerWaalsContact SD-CB 3.59Å; H209-G211 PolarHBondContact ND1-N 3.43Å; H209-G211 VanDerWaalsContact ND1-N 3.17Å; H209-G211 PolarHBondContact O-N 3.42Å; H209-G211 VanDerWaalsContact O-N 3.17Å
210R90.8Very high91.8Very high149 Ų14964 Ų6456%0.56232%0.319SS*.EExtended strand (participates in β ladder)trans-82.114.6-172-63.5173.362.6-164.8-4.1113.4M201 D203 F212M201-R210 WeakPolarHBondContact O-CB 3.03Å; M201-R210 VanDerWaalsContact O-CG 3.31Å; M201-R210 WeakPolarHBondContact O-CG 3.1Å; M201-R210 PolarHBondContact O-N 2.86Å; D203-R210 HydrophobicContact CB-CG 4.03Å; R210-F212 VanDerWaalsContact C-N 3.26Å; R210-F212 HydrophobicContact CB-CD1 3.82Å; R210-F212 HydrophobicContact CB-CE1 3.57Å; R210-F212 HydrophobicContact CB-CZ 4.43Å; R210-F212 WeakPolarHBondContact O-CD1 3.11Å; R210-F212 PolarHBondContact O-N 3.08Å
211G91.5Very high91.7Very high17 Ų1768.5 Ų68.518%0.17534%0.34CS..EExtended strand (participates in β ladder)trans72.114.5-174.700000114.4G175 V176 H209G175-G211 CarbonylContact C-O 3.49Å; G175-G211 PolarHBondContact N-O 3.38Å; V176-G211 PolarHBondContact N-O 3.48Å; H209-G211 PolarHBondContact ND1-N 3.43Å; H209-G211 VanDerWaalsContact ND1-N 3.17Å; H209-G211 PolarHBondContact O-N 3.42Å; H209-G211 VanDerWaalsContact O-N 3.17Å
212F93.5Very high91.7Very high46 Ų4666.9 Ų66.920%0.20233%0.333CS..EExtended strand (participates in β ladder)trans-149.7157.1174.671.5-89.2000112.4F172 I173 M201 R210 F214F172-F212 HydrophobicContact CD2-CD2 4.46Å; F172-F212 HydrophobicContact CE2-CB 3.89Å; F172-F212 AromaticContact CE2-CD2 3.66Å; F172-F212 HydrophobicContact CE2-CD2 3.66Å; F172-F212 HydrophobicContact CE2-CE2 4.44Å; F172-F212 HydrophobicContact CE2-CG 4Å; F172-F212 HydrophobicContact CZ-CB 3.91Å; F172-F212 HydrophobicContact CZ-CD2 4.44Å; F172-F212 HydrophobicContact CZ-CG 4.35Å; I173-F212 CarbonylContact O-C 3.51Å; I173-F212 WeakPolarHBondContact O-CA 3.44Å; I173-F212 WeakPolarHBondContact O-CB 3.5Å; M201-F212 HydrophobicContact CB-CD2 4.11Å; M201-F212 HydrophobicContact CB-CE2 3.85Å; M201-F212 HydrophobicContact CB-CZ 4.13Å; M201-F212 WeakPolarHBondContact CB-O 3.31Å; M201-F212 HydrophobicContact CG-CD2 3.83Å; M201-F212 HydrophobicContact CG-CE2 3.54Å; M201-F212 HydrophobicContact CG-CZ 4.26Å; M201-F212 PolarHBondContact N-O 3.39Å; R210-F212 VanDerWaalsContact C-N 3.26Å; R210-F212 HydrophobicContact CB-CD1 3.82Å; R210-F212 HydrophobicContact CB-CE1 3.57Å; R210-F212 HydrophobicContact CB-CZ 4.43Å; R210-F212 WeakPolarHBondContact O-CD1 3.11Å; R210-F212 PolarHBondContact O-N 3.08Å; F212-F214 HydrophobicContact CE2-CE2 4.46Å
213G94Very high91.8Very high2 Ų262.3 Ų62.32%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-152.6-171.7177.800000112I173 E199I173-G213 PolarHBondContact N-O 2.98Å; I173-G213 PolarHBondContact O-N 2.88Å; E199-G213 CarbonylContact O-C 3.49Å; E199-G213 WeakPolarHBondContact O-CA 3.4Å
214F94.6Very high91.7Very high16 Ų1662.7 Ų62.77%0.0731%0.311CS..EExtended strand (participates in β ladder)trans-133.5143.4174.6-61.1-89.2000110.4R170 V171 F172 C198 E199 M201 F212 A244R170-F214 HydrophobicContact CG-CB 4.32Å; R170-F214 HydrophobicContact CG-CD1 4.38Å; R170-F214 VanDerWaalsContact NH2-CB 3.3Å; V171-F214 VanDerWaalsContact O-CA 3.27Å; V171-F214 WeakPolarHBondContact O-CA 3.46Å; F172-F214 HydrophobicContact CB-CD1 4.29Å; F172-F214 HydrophobicContact CB-CE1 4.21Å; F172-F214 HydrophobicContact CD2-CD1 4.41Å; F172-F214 AromaticContact CD2-CE1 3.86Å; F172-F214 HydrophobicContact CD2-CE1 3.86Å; F172-F214 HydrophobicContact CD2-CZ 4.15Å; C198-F214 CarbonylContact C-O 3.46Å; C198-F214 WeakPolarHBondContact CA-O 3.01Å; E199-F214 PolarHBondContact N-O 2.84Å; E199-F214 PolarHBondContact O-N 3.08Å; M201-F214 HydrophobicContact CG-CD2 4.2Å; M201-F214 HydrophobicContact CG-CE2 4.05Å; M201-F214 HydrophobicContact SD-CD2 4.2Å; M201-F214 HydrophobicContact SD-CE2 4.12Å; F212-F214 HydrophobicContact CE2-CE2 4.46Å; F214-A244 HydrophobicContact CD1-CB 4.06Å; F214-A244 HydrophobicContact CE1-CB 4.23Å
215V94.7Very high91.8Very high4 Ų457.7 Ų57.72%0.02429%0.289CS..EExtended strand (participates in β ladder)trans-124.1128.4173.9177.30000107.7R170 V171 I173 F189 L195 C198 F217R170-V215 CarbonylContact C-O 3.45Å; R170-V215 WeakPolarHBondContact CA-O 3.29Å; V171-V215 PolarHBondContact N-O 2.93Å; V171-V215 PolarHBondContact O-N 2.98Å; I173-V215 HydrophobicContact CG1-CB 4.37Å; I173-V215 HydrophobicContact CG1-CG2 3.81Å; F189-V215 HydrophobicContact CB-CG1 4.1Å; F189-V215 HydrophobicContact CD2-CG2 3.87Å; F189-V215 HydrophobicContact CE2-CG2 4.5Å; F189-V215 HydrophobicContact CG-CG2 4.33Å; L195-V215 HydrophobicContact CD1-CG1 4.09Å; L195-V215 HydrophobicContact CD2-CG1 3.52Å; L195-V215 HydrophobicContact CG-CG1 4.4Å; C198-V215 HydrophobicContact CB-CG2 4.44Å; V215-F217 HydrophobicContact CB-CE2 4.25Å; V215-F217 HydrophobicContact CG1-CD2 4.1Å; V215-F217 HydrophobicContact CG1-CE2 3.59Å; V215-F217 HydrophobicContact CG1-CZ 3.82Å
216T94Very high91.9Very high18 Ų1852.9 Ų52.911%0.1126%0.256CS..EExtended strand (participates in β ladder)trans-110.3120.4176.7-45.40000107.5K169 R170 E196 S197K169-T216 HydrophobicContact CB-CG2 4.13Å; K169-T216 WeakPolarHBondContact O-CA 3.3Å; R170-T216 HydrophobicContact CB-CG2 4.41Å; E196-T216 HydrophobicContact CB-CG2 4.21Å; E196-T216 PolarHBondContact N-O 3.36Å; S197-T216 PolarHBondContact N-O 3.19Å; S197-T216 PolarHBondContact O-N 3.04Å
217F95.3Very high91.9Very high0 Ų049.2 Ų49.20%023%0.234CC..EExtended strand (participates in β ladder)trans-92.5148.9177.7-68.9-92.2000110.6K169 V171 F189 F192 L195 V215 S219 A223 V226K169-F217 WeakPolarHBondContact CB-O 3.27Å; K169-F217 WeakPolarHBondContact CD-O 3.45Å; K169-F217 PolarHBondContact O-N 2.73Å; V171-F217 HydrophobicContact CB-CE2 4.42Å; V171-F217 HydrophobicContact CG2-CD2 3.99Å; V171-F217 HydrophobicContact CG2-CE2 3.74Å; F189-F217 HydrophobicContact CB-CE1 4.48Å; F189-F217 HydrophobicContact CB-CZ 4.03Å; F189-F217 HydrophobicContact CD1-CZ 4.31Å; F189-F217 HydrophobicContact CG-CZ 4.48Å; F189-F217 WeakPolarHBondContact O-CE1 3.22Å; F192-F217 HydrophobicContact CB-CE1 4.3Å; L195-F217 HydrophobicContact CD2-CD1 3.39Å; L195-F217 HydrophobicContact CD2-CE1 3.27Å; L195-F217 HydrophobicContact CD2-CE2 4.43Å; L195-F217 HydrophobicContact CD2-CG 4.05Å; L195-F217 HydrophobicContact CD2-CZ 3.83Å; V215-F217 HydrophobicContact CB-CE2 4.25Å; V215-F217 HydrophobicContact CG1-CD2 4.1Å; V215-F217 HydrophobicContact CG1-CE2 3.59Å; V215-F217 HydrophobicContact CG1-CZ 3.82Å; F217-S219 VanDerWaalsContact C-N 3.34Å; F217-S219 WeakPolarHBondContact CB-O 3.49Å; F217-A223 HydrophobicContact CB-CB 4.49Å; F217-A223 HydrophobicContact CD2-CB 3.82Å; F217-A223 HydrophobicContact CG-CB 4.41Å; F217-V226 HydrophobicContact CE2-CG2 4.39Å; F217-V226 HydrophobicContact CZ-CB 4.48Å; F217-V226 HydrophobicContact CZ-CG2 3.81Å
218E94.8Very high92Very high94 Ų9450 Ų5044%0.43923%0.233SC..SBendtrans-67.1-37.8173.3-178.1174.1-132.500111.5K169 K194K169-E218 WeakPolarHBondContact CE-O 3.17Å; K169-E218 PolarHBondContact NZ-O 3.36Å; K194-E218 HydrophobicContact CB-CB 4.48Å; K194-E218 WeakPolarHBondContact CD-OE2 3.44Å; K194-E218 WeakPolarHBondContact CE-OE2 3.47Å; K194-E218 HydrophobicContact CG-CB 4.43Å; K194-E218 WeakPolarHBondContact CG-OE2 3.09Å; K194-E218 IonicContact NZ-OE1 3.64Å; K194-E218 PolarHBondContact NZ-OE1 3.02Å; K194-E218 IonicContact NZ-OE2 2.77Å; K194-E218 PolarHBondContact NZ-OE2 2.88Å; K194-E218 PolarHBondContact O-N 3.19Å
219S92.7Very high92.1Very high50 Ų5046.8 Ų46.835%0.3523%0.226SC..SBendtrans-98.4144.5173.4-176.80000111.7F217 E221F217-S219 VanDerWaalsContact C-N 3.34Å; F217-S219 WeakPolarHBondContact CB-O 3.49Å; S219-E221 PolarHBondContact OG-N 2.74Å
220E90.7Very high91.9Very high47 Ų4750.8 Ų50.822%0.2225%0.245CC..Hα-helixtrans-67.2-38.3171.4-158.8-159.9154.300111.7K167 S222 A223 E224K167-E220 WeakPolarHBondContact CA-OE1 3.46Å; K167-E220 VanDerWaalsContact CB-CD 3.5Å; K167-E220 WeakPolarHBondContact CB-OE1 3.33Å; K167-E220 WeakPolarHBondContact CD-OE2 3.46Å; K167-E220 WeakPolarHBondContact CG-OE1 3.16Å; K167-E220 IonicContact NZ-OE1 2.67Å; K167-E220 PolarHBondContact NZ-OE1 2.96Å; K167-E220 IonicContact NZ-OE2 3.07Å; K167-E220 PolarHBondContact NZ-OE2 2.77Å; E220-S222 VanDerWaalsContact C-N 3.25Å; E220-S222 PolarHBondContact O-N 2.78Å; E220-A223 CarbonylContact O-C 3.53Å; E220-A223 WeakPolarHBondContact O-CA 3.5Å; E220-A223 VanDerWaalsContact O-CB 3.32Å; E220-A223 WeakPolarHBondContact O-CB 3.45Å; E220-A223 PolarHBondContact O-N 2.94Å; E220-E224 HydrophobicContact CG-CG 4.43Å; E220-E224 WeakPolarHBondContact O-CG 3.48Å; E220-E224 PolarHBondContact O-N 3.46Å
221E91.2Very high92Very high118 Ų11849 Ų4955%0.55124%0.242SC*.Hα-helixtrans-59.3-35.2-176.5-61.5-179.4-17300113S219 A223 E224 K225S219-E221 PolarHBondContact OG-N 2.74Å; E221-A223 VanDerWaalsContact C-N 3.33Å; E221-E224 PolarHBondContact O-N 2.82Å; E221-K225 WeakPolarHBondContact O-CD 3.38Å; E221-K225 VanDerWaalsContact O-CG 3.29Å; E221-K225 WeakPolarHBondContact O-CG 3.36Å; E221-K225 PolarHBondContact O-N 2.84Å; E221-K225 IonicContact OE2-NZ 2.65Å
222S92.8Very high92Very high10 Ų1048.4 Ų48.47%0.0723%0.234CC..Hα-helixtrans-67.4-35.9176-62.80000111.8F192 G193 E220 V226F192-S222 WeakPolarHBondContact O-CB 3.2Å; F192-S222 PolarHBondContact O-OG 3.37Å; G193-S222 WeakPolarHBondContact CA-OG 3.48Å; E220-S222 VanDerWaalsContact C-N 3.25Å; E220-S222 PolarHBondContact O-N 2.78Å; S222-V226 WeakPolarHBondContact O-CG2 3.33Å; S222-V226 PolarHBondContact O-N 2.96Å
223A91.4Very high91.9Very high2 Ų250.9 Ų50.92%0.01725%0.25CC..Hα-helixtrans-69-34.3171.400000111.9V171 F217 E220 E221 C227V171-A223 HydrophobicContact CG2-CB 3.6Å; F217-A223 HydrophobicContact CB-CB 4.49Å; F217-A223 HydrophobicContact CD2-CB 3.82Å; F217-A223 HydrophobicContact CG-CB 4.41Å; E220-A223 CarbonylContact O-C 3.53Å; E220-A223 WeakPolarHBondContact O-CA 3.5Å; E220-A223 VanDerWaalsContact O-CB 3.32Å; E220-A223 WeakPolarHBondContact O-CB 3.45Å; E220-A223 PolarHBondContact O-N 2.94Å; E221-A223 VanDerWaalsContact C-N 3.33Å; A223-C227 WeakPolarHBondContact O-CB 3.43Å; A223-C227 PolarHBondContact O-N 2.76Å; A223-C227 VanDerWaalsContact O-N 3.14Å; A223-C227 PolarHBondContact O-SG 3.39Å
224E89.6Confident91.6Very high54 Ų5451.4 Ų51.425%0.25225%0.252SS..Hα-helixtrans-69-49.1175.9-53.1-144.585.100111.4K167 E220 E221 V226 C227 E228 K243K167-E224 IonicContact NZ-OE2 2.72Å; K167-E224 PolarHBondContact NZ-OE2 2.79Å; K167-E224 VanDerWaalsContact NZ-OE2 3.12Å; E220-E224 HydrophobicContact CG-CG 4.43Å; E220-E224 WeakPolarHBondContact O-CG 3.48Å; E220-E224 PolarHBondContact O-N 3.46Å; E221-E224 PolarHBondContact O-N 2.82Å; E224-V226 VanDerWaalsContact C-N 3.31Å; E224-V226 PolarHBondContact O-N 3.05Å; E224-C227 CarbonylContact O-C 3.58Å; E224-C227 WeakPolarHBondContact O-CA 3.08Å; E224-C227 WeakPolarHBondContact O-CB 3.33Å; E224-C227 PolarHBondContact O-N 3.31Å; E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.02Å; E224-K243 IonicContact OE1-NZ 3.46Å; E224-K243 PolarHBondContact OE1-NZ 3.27Å
225K91.4Very high91.1Very high95 Ų9555.3 Ų55.341%0.41327%0.27SS..Hα-helixtrans-54.2-42.3176.1-71.2161.1-171.5162.60113E221 C227 E228 I229E221-K225 WeakPolarHBondContact O-CD 3.38Å; E221-K225 VanDerWaalsContact O-CG 3.29Å; E221-K225 WeakPolarHBondContact O-CG 3.36Å; E221-K225 PolarHBondContact O-N 2.84Å; E221-K225 IonicContact OE2-NZ 2.65Å; K225-C227 VanDerWaalsContact C-N 3.35Å; K225-E228 PolarHBondContact O-N 2.82Å; K225-I229 PolarHBondContact O-N 3.21Å
226V92.2Very high90.8Very high0 Ų063.2 Ų63.20%031%0.312CS..Hα-helixtrans-67.9-34.1174.8166.10000112V171 F189 F192 F217 S222 E224 H232 A241V171-V226 HydrophobicContact CG1-CG1 4Å; V171-V226 HydrophobicContact CG2-CG1 4.47Å; F189-V226 HydrophobicContact CD1-CG1 4.08Å; F189-V226 HydrophobicContact CD1-CG2 4.04Å; F189-V226 HydrophobicContact CE1-CG1 3.77Å; F189-V226 HydrophobicContact CE1-CG2 4.37Å; F192-V226 HydrophobicContact CB-CG2 3.63Å; F192-V226 HydrophobicContact CD1-CG2 4.02Å; F192-V226 HydrophobicContact CD2-CG2 3.43Å; F192-V226 VanDerWaalsContact CD2-CG2 3.43Å; F192-V226 HydrophobicContact CE2-CG2 4.07Å; F192-V226 HydrophobicContact CG-CG2 3.4Å; F192-V226 VanDerWaalsContact CG-CG2 3.4Å; F217-V226 HydrophobicContact CE2-CG2 4.39Å; F217-V226 HydrophobicContact CZ-CB 4.48Å; F217-V226 HydrophobicContact CZ-CG2 3.81Å; S222-V226 WeakPolarHBondContact O-CG2 3.33Å; S222-V226 PolarHBondContact O-N 2.96Å; E224-V226 VanDerWaalsContact C-N 3.31Å; E224-V226 PolarHBondContact O-N 3.05Å; V226-H232 PolarHBondContact O-NE2 3.34Å; V226-A241 HydrophobicContact CG1-CB 3.74Å; V226-A241 WeakPolarHBondContact O-CB 3.4Å
227C89.5Confident90.6Very high12 Ų1266.4 Ų66.48%0.08132%0.324CS..Hα-helixtrans-76.4-20.8175.7-68.90000113.9A223 E224 K225 H230 K243A223-C227 WeakPolarHBondContact O-CB 3.43Å; A223-C227 PolarHBondContact O-N 2.76Å; A223-C227 VanDerWaalsContact O-N 3.14Å; A223-C227 PolarHBondContact O-SG 3.39Å; E224-C227 CarbonylContact O-C 3.58Å; E224-C227 WeakPolarHBondContact O-CA 3.08Å; E224-C227 WeakPolarHBondContact O-CB 3.33Å; E224-C227 PolarHBondContact O-N 3.31Å; K225-C227 VanDerWaalsContact C-N 3.35Å; C227-H230 PolarHBondContact O-CE1 2.78Å; C227-H230 PolarHBondContact O-ND1 3.36Å; C227-K243 HydrophobicContact CB-CG 4.09Å; C227-K243 WeakPolarHBondContact SG-CG 3.42Å; C227-K243 PolarHBondContact SG-N 3.23Å; C227-K243 VanDerWaalsContact SG-N 3.36Å
228E89.1Confident90.4Very high145 Ų14571.1 Ų71.168%0.67835%0.348SS*.Hα-helixtrans-74-38.4175.9-73.6166.9177.500112.4E224 K225 H230E224-E228 WeakPolarHBondContact O-CG 3.41Å; E224-E228 PolarHBondContact O-N 3.02Å; K225-E228 PolarHBondContact O-N 2.82Å; E228-H230 VanDerWaalsContact C-N 3.29Å; E228-H230 PolarHBondContact O-N 3.03Å
229I89.6Confident90.3Very high86 Ų8666.7 Ų66.744%0.44133%0.327SS..Hα-helixtrans-67.9-29.7179.4-67164.2000111.7F192 K225 F231F192-I229 HydrophobicContact CD1-CD1 4.33Å; F192-I229 HydrophobicContact CE1-CD1 3.51Å; F192-I229 HydrophobicContact CZ-CD1 4.08Å; K225-I229 PolarHBondContact O-N 3.21Å; I229-F231 WeakPolarHBondContact CG2-O 3.43Å; I229-F231 PolarHBondContact O-N 2.8Å
230H86.3Confident90.4Very high101 Ų10167.2 Ų67.247%0.46832%0.324SS..  trans60.2-39.3-176.6-72.7-31.3000117.1C227 E228 E240 A241C227-H230 PolarHBondContact O-CE1 2.78Å; C227-H230 PolarHBondContact O-ND1 3.36Å; E228-H230 VanDerWaalsContact C-N 3.29Å; E228-H230 PolarHBondContact O-N 3.03Å; H230-E240 CarbonylContact O-C 3.6Å; H230-E240 WeakPolarHBondContact O-CA 3.45Å; H230-A241 PolarHBondContact O-N 3.16Å
231F92.3Very high90.5Very high113 Ų11365 Ų6550%0.49631%0.314SS..EExtended strand (participates in β ladder)trans-131126.8-175.5-61.2-78.2000111.6I229 M238 V239 E240I229-F231 WeakPolarHBondContact CG2-O 3.43Å; I229-F231 PolarHBondContact O-N 2.8Å; F231-M238 HydrophobicContact CB-CE 3.82Å; F231-V239 CarbonylContact C-O 3.58Å; F231-V239 WeakPolarHBondContact CA-O 3.22Å; F231-E240 HydrophobicContact CD1-CB 4.4Å; F231-E240 HydrophobicContact CD1-CG 4.42Å; F231-E240 HydrophobicContact CE1-CB 4.35Å; F231-E240 HydrophobicContact CE1-CG 4.06Å
232H92.2Very high90.5Very high3 Ų363.6 Ų63.61%0.01431%0.306CS..EExtended strand (participates in β ladder)trans-119.9133.8-178.2-65.9-85.1000110.2Y188 F192 V226 V239Y188-H232 HydrophobicContact CE1-CB 3.73Å; Y188-H232 AromaticContact CE1-CG 3.79Å; Y188-H232 AromaticContact CE1-ND1 3.49Å; Y188-H232 WeakPolarHBondContact CE1-ND1 3.39Å; Y188-H232 AromaticContact CZ-ND1 3.73Å; Y188-H232 WeakPolarHBondContact OH-CB 3.21Å; Y188-H232 PolarHBondContact OH-ND1 2.94Å; F192-H232 AromaticContact CE2-CE1 3.88Å; F192-H232 AromaticContact CZ-CE1 3.6Å; F192-H232 AromaticContact CZ-ND1 3.8Å; V226-H232 PolarHBondContact O-NE2 3.34Å; H232-V239 PolarHBondContact N-O 3.03Å; H232-V239 WeakPolarHBondContact O-CB 3.36Å; H232-V239 PolarHBondContact O-N 3.23Å
233D90.7Very high90.4Very high99 Ų9965.3 Ų65.353%0.52931%0.312SS..EExtended strand (participates in β ladder)trans-85118.5175.3-86.9-63.9000111.8M238D233-M238 VanDerWaalsContact OD1-SD 3.33Å
234L88.6Confident90.2Very high13 Ų1365.4 Ų65.47%0.06831%0.313CS..EExtended strand (participates in β ladder)trans-137122.2176.7-81162.2000108.8L185 Y188 F189 N236 K237 V239L185-L234 HydrophobicContact CD2-CD1 3.73Å; Y188-L234 HydrophobicContact CD1-CD1 4.14Å; Y188-L234 HydrophobicContact CD1-CD2 4.27Å; Y188-L234 HydrophobicContact CD1-CG 4.35Å; Y188-L234 HydrophobicContact CD2-CD2 3.84Å; Y188-L234 HydrophobicContact CD2-CG 4.39Å; Y188-L234 HydrophobicContact CE1-CD1 4.49Å; Y188-L234 HydrophobicContact CE2-CD2 4.48Å; Y188-L234 HydrophobicContact CG-CD1 4.42Å; Y188-L234 HydrophobicContact CG-CD2 3.73Å; Y188-L234 HydrophobicContact CG-CG 4.26Å; F189-L234 HydrophobicContact CE2-CD1 4.41Å; L234-N236 VanDerWaalsContact C-N 3.34Å; L234-N236 PolarHBondContact O-N 3.21Å; L234-K237 PolarHBondContact N-O 3.18Å; L234-K237 VanDerWaalsContact N-O 3.14Å; L234-K237 WeakPolarHBondContact O-CB 3.45Å; L234-K237 PolarHBondContact O-N 3.23Å; L234-K237 VanDerWaalsContact O-N 3.11Å; L234-V239 HydrophobicContact CB-CG2 3.9Å; L234-V239 HydrophobicContact CD1-CB 4.19Å; L234-V239 HydrophobicContact CD1-CG1 4.3Å; L234-V239 HydrophobicContact CD1-CG2 3.97Å
235H84.8Confident89.9Confident98 Ų9866.1 Ų66.145%0.45432%0.321SS..THydrogen-bonded Turntrans52.748.1-179.7-65.982.9000113.5A177 T180 E184 K237A177-H235 HydrophobicContact CB-CB 4.09Å; T180-H235 PolarHBondContact OG1-ND1 2.8Å; T180-H235 VanDerWaalsContact OG1-ND1 3.13Å; E184-H235 IonicContact OE2-CE1 2.96Å; E184-H235 PolarHBondContact OE2-CE1 3.21Å; E184-H235 IonicContact OE2-ND1 3.76Å; E184-H235 IonicContact OE2-NE2 3.62Å; H235-K237 PolarHBondContact O-N 2.83Å
236N87.1Confident89.4Confident170 Ų17064.4 Ų64.491%0.90932%0.319SS*.THydrogen-bonded Turntrans53.534.2-176.8-61.114.3000113.6L234L234-N236 VanDerWaalsContact C-N 3.34Å; L234-N236 PolarHBondContact O-N 3.21Å
237K90.4Very high88.5Confident84 Ų8469.6 Ų69.637%0.36534%0.342SS..EExtended strand (participates in β ladder)trans-139.9130.2-178.3-166.8-176.1-179.1-161.60110.7G175 V176 A177 L234 H235 V239G175-K237 VanDerWaalsContact O-CD 3.24Å; G175-K237 WeakPolarHBondContact O-CD 3.2Å; G175-K237 WeakPolarHBondContact O-CE 3.44Å; G175-K237 PolarHBondContact O-NZ 3.23Å; V176-K237 PolarHBondContact O-NZ 3.32Å; A177-K237 HydrophobicContact CB-CB 4.32Å; A177-K237 HydrophobicContact CB-CD 3.74Å; L234-K237 PolarHBondContact N-O 3.18Å; L234-K237 VanDerWaalsContact N-O 3.14Å; L234-K237 WeakPolarHBondContact O-CB 3.45Å; L234-K237 PolarHBondContact O-N 3.23Å; L234-K237 VanDerWaalsContact O-N 3.11Å; H235-K237 PolarHBondContact O-N 2.83Å; K237-V239 PolarHBondContact O-N 2.93Å
238M90.9Very high87.6Confident100 Ų10076.9 Ų76.949%0.49338%0.375SS..EExtended strand (participates in β ladder)trans-62.6121.4172-46.8-49.6-50.900110.4F231 D233F231-M238 HydrophobicContact CB-CE 3.82Å; D233-M238 VanDerWaalsContact OD1-SD 3.33Å
239V94Very high86.4Confident0 Ų074.1 Ų74.10%037%0.368CS..EExtended strand (participates in β ladder)trans-107.9124.8172.7173.70000108.4I173 G174 V176 F231 H232 L234 K237I173-V239 HydrophobicContact CG2-CG1 3.29Å; G174-V239 CarbonylContact O-C 3.6Å; G174-V239 WeakPolarHBondContact O-CA 3.42Å; G174-V239 WeakPolarHBondContact O-CG1 3.25Å; V176-V239 HydrophobicContact CG2-CG1 4.35Å; F231-V239 CarbonylContact C-O 3.58Å; F231-V239 WeakPolarHBondContact CA-O 3.22Å; H232-V239 PolarHBondContact N-O 3.03Å; H232-V239 WeakPolarHBondContact O-CB 3.36Å; H232-V239 PolarHBondContact O-N 3.23Å; L234-V239 HydrophobicContact CB-CG2 3.9Å; L234-V239 HydrophobicContact CD1-CB 4.19Å; L234-V239 HydrophobicContact CD1-CG1 4.3Å; L234-V239 HydrophobicContact CD1-CG2 3.97Å; K237-V239 PolarHBondContact O-N 2.93Å
240E93.3Very high85.2Confident62 Ų6274.1 Ų74.129%0.2937%0.367SS..EExtended strand (participates in β ladder)trans-92.6124.9-173.9-170.4-170.2-142.900111.1G174 H230 F231 K242G174-E240 PolarHBondContact N-O 3.28Å; G174-E240 PolarHBondContact O-N 3.25Å; H230-E240 CarbonylContact O-C 3.6Å; H230-E240 WeakPolarHBondContact O-CA 3.45Å; F231-E240 HydrophobicContact CD1-CB 4.4Å; F231-E240 HydrophobicContact CD1-CG 4.42Å; F231-E240 HydrophobicContact CE1-CB 4.35Å; F231-E240 HydrophobicContact CE1-CG 4.06Å; E240-K242 WeakPolarHBondContact OE1-CE 3.37Å; E240-K242 IonicContact OE1-NZ 2.64Å; E240-K242 PolarHBondContact OE1-NZ 3.34Å; E240-K242 WeakPolarHBondContact OE2-CE 3.5Å; E240-K242 IonicContact OE2-NZ 3.39Å; E240-K242 PolarHBondContact OE2-NZ 2.99Å
241A93.2Very high84.1Confident0 Ų072.7 Ų72.70%037%0.368CS..EExtended strand (participates in β ladder)trans-104.9130.2178.300000112.1V171 I173 V226 H230V171-A241 HydrophobicContact CG1-CB 4.21Å; I173-A241 HydrophobicContact CD1-CB 4.11Å; V226-A241 HydrophobicContact CG1-CB 3.74Å; V226-A241 WeakPolarHBondContact O-CB 3.4Å; H230-A241 PolarHBondContact O-N 3.16Å
242K91.2Very high82.4Confident88 Ų8871.2 Ų71.238%0.38337%0.368SS..EExtended strand (participates in β ladder)trans-141.9147.3-179.9-73.4171.3173.6155.80111V171 F172 E240 A244V171-K242 CarbonylContact C-O 3.59Å; V171-K242 WeakPolarHBondContact CG1-O 3.45Å; F172-K242 HydrophobicContact CD1-CB 4.39Å; F172-K242 PolarHBondContact N-O 3.34Å; F172-K242 PolarHBondContact O-N 2.95Å; E240-K242 WeakPolarHBondContact OE1-CE 3.37Å; E240-K242 IonicContact OE1-NZ 2.64Å; E240-K242 PolarHBondContact OE1-NZ 3.34Å; E240-K242 WeakPolarHBondContact OE2-CE 3.5Å; E240-K242 IonicContact OE2-NZ 3.39Å; E240-K242 PolarHBondContact OE2-NZ 2.99Å; K242-A244 PolarHBondContact O-N 2.89Å
243K89.6Confident80.5Confident46 Ų4676.7 Ų76.720%0.240%0.398CS..EExtended strand (participates in β ladder)trans-56.4129.7170.6-66.6-172.6176.7179.60110S165 E224 C227 V245S165-K243 PolarHBondContact OG-NZ 3.24Å; E224-K243 IonicContact OE1-NZ 3.46Å; E224-K243 PolarHBondContact OE1-NZ 3.27Å; C227-K243 HydrophobicContact CB-CG 4.09Å; C227-K243 WeakPolarHBondContact SG-CG 3.42Å; C227-K243 PolarHBondContact SG-N 3.23Å; C227-K243 VanDerWaalsContact SG-N 3.36Å; K243-V245 PolarHBondContact O-N 3Å
244A87.9Confident78.8Confident5 Ų578 Ų784%0.04141%0.405CS..  trans-78.2114.4-172.800000111.4R170 F172 F214 K242R170-A244 HydrophobicContact CB-CB 4.07Å; R170-A244 HydrophobicContact CG-CB 3.83Å; R170-A244 WeakPolarHBondContact O-CB 3.35Å; R170-A244 PolarHBondContact O-N 2.94Å; F172-A244 HydrophobicContact CB-CB 4.31Å; F214-A244 HydrophobicContact CD1-CB 4.06Å; F214-A244 HydrophobicContact CE1-CB 4.23Å; K242-A244 PolarHBondContact O-N 2.89Å
245V84.3Confident77.1Confident68 Ų6880.7 Ų80.741%0.41243%0.425SS..  trans-66.7132170.6-174.60000109.4K243 V249 M250K243-V245 PolarHBondContact O-N 3Å; V245-V249 HydrophobicContact CG1-CB 3.92Å; V245-V249 HydrophobicContact CG1-CG1 4.12Å; V245-M250 HydrophobicContact CB-CE 3.81Å; V245-M250 HydrophobicContact CB-CG 4.4Å; V245-M250 HydrophobicContact CG1-CG 4.39Å; V245-M250 HydrophobicContact CG2-CE 4.48Å
246P79.9Confident75.6Confident59 Ų5981.3 Ų81.338%0.38343%0.431SS..  trans-53.9141.8178.5-29.636.4000113.9E248 V249 M250P246-E248 PolarHBondContact O-N 3.11Å; P246-E248 VanDerWaalsContact O-N 3.1Å; P246-V249 PolarHBondContact O-N 3.2Å; P246-V249 VanDerWaalsContact O-N 3.09Å; P246-M250 PolarHBondContact O-N 3.34Å
247K73.1Confident74.2Confident110 Ų11079 Ų7948%0.47842%0.417SS..Hα-helixtrans-57-29.3-176.5-67.8-179.9179.4175.80112.4E199 M250 S251E199-K247 IonicContact OE1-NZ 3.12Å; E199-K247 PolarHBondContact OE1-NZ 2.87Å; E199-K247 IonicContact OE2-NZ 2.65Å; K247-M250 PolarHBondContact O-N 3.3Å; K247-S251 WeakPolarHBondContact O-CB 3.34Å; K247-S251 PolarHBondContact O-N 2.96Å; K247-S251 VanDerWaalsContact O-N 3.09Å; K247-S251 PolarHBondContact O-OG 3.44Å
248E70.6Confident72.6Confident165 Ų16583.5 Ų83.577%0.77144%0.437SS*.Hα-helixtrans-58.2-50.9174.8-66.4167.8-157.300112.6P246 M250 S251P246-E248 PolarHBondContact O-N 3.11Å; P246-E248 VanDerWaalsContact O-N 3.1Å; E248-M250 PolarHBondContact O-N 2.82Å; E248-S251 PolarHBondContact O-N 3.05Å
249V64.9Low70.9Confident87 Ų8786.2 Ų86.253%0.52745%0.448SS..Hα-helixtrans-68.6-36.2-179.3-175.20000111.2V245 P246V245-V249 HydrophobicContact CG1-CB 3.92Å; V245-V249 HydrophobicContact CG1-CG1 4.12Å; P246-V249 PolarHBondContact O-N 3.2Å; P246-V249 VanDerWaalsContact O-N 3.09Å
250M64.2Low69.1Low85 Ų8596 Ų9642%0.41949%0.485SS..Hα-helixtrans-67.9-34.6177.8-68.5-162.6177.300113.5V245 P246 K247 E248 T252V245-M250 HydrophobicContact CB-CE 3.81Å; V245-M250 HydrophobicContact CB-CG 4.4Å; V245-M250 HydrophobicContact CG1-CG 4.39Å; V245-M250 HydrophobicContact CG2-CE 4.48Å; P246-M250 PolarHBondContact O-N 3.34Å; K247-M250 PolarHBondContact O-N 3.3Å; E248-M250 PolarHBondContact O-N 2.82Å; M250-T252 PolarHBondContact O-N 3.37Å
251S62.2Low67.2Low71 Ų71101.4 Ų101.450%0.49751%0.51SS..Hα-helixtrans-69.3-32.2-169.9-63.80000113.5K247 E248 S255K247-S251 WeakPolarHBondContact O-CB 3.34Å; K247-S251 PolarHBondContact O-N 2.96Å; K247-S251 VanDerWaalsContact O-N 3.09Å; K247-S251 PolarHBondContact O-OG 3.44Å; E248-S251 PolarHBondContact O-N 3.05Å; S251-S255 PolarHBondContact O-OG 2.95Å
252T56.8Low65.4Low82 Ų82109.6 Ų109.650%0.50355%0.549SS..Hα-helixtrans-62.1-45.8179.5-53.30000112.1M250 N254 S255 L256M250-T252 PolarHBondContact O-N 3.37Å; T252-N254 PolarHBondContact O-N 3.27Å; T252-S255 WeakPolarHBondContact O-CB 3.48Å; T252-S255 PolarHBondContact O-N 3.17Å; T252-L256 HydrophobicContact CG2-CD1 3.98Å; T252-L256 VanDerWaalsContact O-CD1 3.31Å; T252-L256 WeakPolarHBondContact O-CD1 3.49Å
253N53.6Low63.6Low118 Ų118114.1 Ų114.163%0.63157%0.568SS**Hα-helixtrans-64.8-35.6-173.6-71.3-17.2000113.3S255N253-S255 VanDerWaalsContact C-N 3.28Å; N253-S255 PolarHBondContact O-N 2.89Å
254N54.6Low61.9Low126 Ų126119.4 Ų119.467%0.67460%0.597SS**Hα-helixtrans-75.9-14.5177.2-104.6-15.1000113.7T252T252-N254 PolarHBondContact O-N 3.27Å
255S52.5Low60Low70 Ų70131.3 Ų131.349%0.4964%0.641SS.*Hα-helixtrans-87-44.6-174.5-60.30000112.2S251 T252 N253 I257 K258S251-S255 PolarHBondContact O-OG 2.95Å; T252-S255 WeakPolarHBondContact O-CB 3.48Å; T252-S255 PolarHBondContact O-N 3.17Å; N253-S255 VanDerWaalsContact C-N 3.28Å; N253-S255 PolarHBondContact O-N 2.89Å; S255-I257 VanDerWaalsContact C-N 3.28Å; S255-I257 PolarHBondContact O-N 3.07Å; S255-K258 PolarHBondContact O-N 3.2Å
256L53.9Low58.5Low112 Ų112132.2 Ų132.259%0.58666%0.656SS**Hα-helixtrans-63.4-31.1-178.7-81.579.7000113.2T252 K258 Q259T252-L256 HydrophobicContact CG2-CD1 3.98Å; T252-L256 VanDerWaalsContact O-CD1 3.31Å; T252-L256 WeakPolarHBondContact O-CD1 3.49Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.3Å; L256-Q259 PolarHBondContact O-N 2.7Å
257I57.1Low57.1Low121 Ų121135.4 Ų135.462%0.62168%0.676SS**Hα-helixtrans-64.9-34.5179.8-65.2172.6000111.2S255S255-I257 VanDerWaalsContact C-N 3.28Å; S255-I257 PolarHBondContact O-N 3.07Å
258K56.5Low56.1Low178 Ų178138.7 Ų138.777%0.77470%0.697SS**Hα-helixtrans-75.8-27.1-178.4-72.8-171.6174.2-175.40114.2S255 L256S255-K258 PolarHBondContact O-N 3.2Å; L256-K258 VanDerWaalsContact C-N 3.29Å; L256-K258 PolarHBondContact O-N 3.3Å
259Q56.2Low55.4Low158 Ų158134.6 Ų134.674%0.73869%0.687SS**Hα-helixtrans-77.9-21.3179.4-77.7-165.7-47.600114.2L256 H261L256-Q259 PolarHBondContact O-N 2.7Å; Q259-H261 PolarHBondContact O-N 3.44Å; Q259-H261 VanDerWaalsContact O-N 3.09Å
260R54.7Low54.9Low206 Ų206139 Ų13978%0.77770%0.702SS**THydrogen-bonded Turntrans-70.4-3.7-176.2-68.3-173.572.9103.7-2.1115.3
261H54Low54.2Low175 Ų175145 Ų14581%0.8173%0.726SS**THydrogen-bonded Turntrans-103.86.5-172.2-97.760.2000116.3Q259Q259-H261 PolarHBondContact O-N 3.44Å; Q259-H261 VanDerWaalsContact O-N 3.09Å
262Q55.8Low53.3Low172 Ų172149 Ų14980%0.80474%0.741SS**SBendtrans-111.8-5.1178.8-73-165.5-13.600116.2
263F52.7Low52.8Low182 Ų182150.3 Ų150.380%0.79875%0.751SS**SBendtrans-118.213.7-168-78.6-78.6000116.6
264I53.9Low52.5Low158 Ų158148.9 Ų148.981%0.8176%0.755SS**  trans-127.171.2177.6-48.1-178.9000110.6
265R48Very low51.9Low254 Ų254151.2 Ų151.296%0.95876%0.762SS**  trans-153.284.3165.2-120.2-176.7178-165-2.7111.5
266A54.3Low51.5Low88 Ų88154.2 Ų154.273%0.72777%0.772SS**  trans-134.9122.8166.400000108.1
267P50Low51.1Low125 Ų125156.3 Ų156.381%0.81278%0.784SS**  trans-79.2129.5177.931.3-32000110.2
268I52.3Low50.4Low179 Ų179154 Ų15492%0.91879%0.79SS**  trans-91.1114.3171.4-61.3176.7000108
269S55.6Low49.7Very low80 Ų80150.4 Ų150.456%0.55979%0.793SS**  trans-117.6123.8-178.954.90000111.9
270H54.8Low49Very low180 Ų180147.8 Ų147.883%0.83380%0.799SS**  trans72.597.9157.8-41.5-34.7000118.6
271F48.9Very low48.4Very low209 Ų209142.8 Ų142.892%0.91780%0.802SS**  trans-152.4136.6131.3-141.9-103.6000111.8
272L42.6Very low47.9Very low156 Ų156139 Ų13982%0.81780%0.8SS**  trans-174.4169-172.1-101.1177.3000106.6
273P47.2Very low47.4Very low109 Ų109135.9 Ų135.971%0.70880%0.804SS**  cis-134.3-152.1-7.542.1-23.2000112.6
274A47.3Very low47Very low88 Ų88131.4 Ų131.473%0.72780%0.801SS**  trans76.3137.7166.100000115.8
275Q42Very low46.5Very low175 Ų175128.6 Ų128.682%0.81880%0.802SS**  cis-128.1-174.115.8-75.5-171.5-5.100111.7
276L44Very low46.2Very low134 Ų134121.4 Ų121.470%0.70280%0.796SS**  cis-143.6-11410.4-144.1170.8000113
277N44.6Very low45.8Very low155 Ų155121.8 Ų121.883%0.82980%0.8SS**  trans-121.4159-165.2-78.1-13.4000115.2
278G42.1Very low45.5Very low74 Ų74120.3 Ų120.376%0.76380%0.797SS**  trans126.377.2159.300000114.4
279A43.1Very low45.3Very low101 Ų101116.3 Ų116.384%0.83579%0.791SS**  95.8139.866.700000113.5
280A41.1Very low45.1Very low103 Ų103116.2 Ų116.285%0.85179%0.791SS**  trans66.1123-166.900000114.7
281A43.3Very low44.7Very low102 Ų102117.6 Ų117.684%0.84379%0.79SS**  cis98143.435.900000113
282A43.5Very low44.8Very low94 Ų94113.2 Ų113.278%0.77778%0.781SS**  cis-169.4161.2-18.400000111
283A45.3Very low45Very low107 Ų107113 Ų11388%0.88478%0.779SS**  trans63.2159171.300000116.9
284A42.8Very low45.2Very low89 Ų89113.7 Ų113.774%0.73678%0.782SS**  cis-137.4155.5-600000107.6
285A44Very low44.9Very low99 Ų99114.2 Ų114.282%0.81879%0.786SS**  cis66.5139.842.900000114.8
286A42.4Very low45.4Very low102 Ų102112.2 Ų112.284%0.84379%0.786SS**  cis-170.6143.7-21.700000110.9
287A44.4Very low45.7Very low97 Ų97111 Ų11180%0.80279%0.789SS**  trans-169.1125.8159.400000108.4
288A43.6Very low46Very low93 Ų93109.2 Ų109.277%0.76979%0.786SS**  70.794.956.100000112
289A48.3Very low46.1Very low95 Ų95113.5 Ų113.579%0.78579%0.79SS**  86.2149.589.600000111.7
290S52.6Low46.1Very low79 Ų79115.2 Ų115.255%0.55279%0.79SS**  cis-157.2177.522.5-65.60000112.4
291Y46.4Very low46.2Very low208 Ų208114.7 Ų114.782%0.81679%0.786SS**  trans75.3132.5161.6-45.3-55.6000117.2
292T51.2Low46.1Very low117 Ų117121 Ų12172%0.71879%0.788SS**  cis76.3130.735.172.50000113.9
293L46.4Very low45.8Very low151 Ų151125.3 Ų125.379%0.79179%0.791SS**  cis-154.7171.117.6-118.2154000113.2
294T49.7Very low45.7Very low125 Ų125125.1 Ų125.177%0.76778%0.781SS**  trans-30.5150.117548.40000122.1
295A42.8Very low45.6Very low99 Ų99125.8 Ų125.882%0.81878%0.78SS**  -162149.2121.700000114.9
296T52.4Low45.5Very low132 Ų132126 Ų12681%0.8178%0.783SS**  trans-47.1160.8167.545.80000116.2
297S49.5Very low45.5Very low109 Ų109131.6 Ų131.676%0.76278%0.783SS**  cis-159.9173.412.2-115.10000111.7
298P51.3Low45.3Very low118 Ų118131.6 Ų131.677%0.76678%0.784SS**  trans-102.2156-159.938.2-36.2000117.5
299I44.1Very low45.2Very low164 Ų164137 Ų13784%0.84179%0.785SS**  trans-149.3142.8153.6-112167.1000111.7
300T42.7Very low45.4Very low137 Ų137140.8 Ų140.884%0.8479%0.792SS**  trans4.3108.3166.4-500000120.5
301A42.5Very low45Very low92 Ų92141.6 Ų141.676%0.7680%0.795SS**  trans-154.4115.3154.600000115.3
302R42Very low45Very low235 Ų235135.5 Ų135.589%0.88780%0.795SS**  trans27102.2134-167.4178.2-173.4174.80.7119.1
303Q37.6Very low44.3Very low183 Ų183140.3 Ų140.386%0.85580%0.802SS**  trans-69.4137.7162.9-77.1-76.2-28.200112.4
304P42Very low44.1Very low103 Ų103143.8 Ų143.867%0.66981%0.806SS**  trans-143.7149.6130.537.7-24.4000115.1
305S42.4Very low43.8Very low103 Ų103145.5 Ų145.572%0.7281%0.81SS**  trans46.694.9150.8179.90000119.1
306A40.6Very low44Very low105 Ų105145.6 Ų145.687%0.86880%0.804SS**  trans-97.9116.1157.300000111
307Y42.1Very low44Very low218 Ų218145.6 Ų145.686%0.85581%0.806SS**  trans-80.2144.8161.6-100.4-101.1000109.5
308A40.9Very low43.7Very low98 Ų98143.7 Ų143.781%0.8180%0.804SS**  trans-126.1130.6168.100000109.7
309Y42.6Very low43.2Very low205 Ų205147.4 Ų147.480%0.80481%0.811SS**  trans-79.3143.6-174.4-111.3-114.2000112.6P311Y309-P311 HydrophobicContact CD1-CG 4.22Å
310L51.1Low43.2Very low176 Ų176145.6 Ų145.692%0.92181%0.812SS**  trans-147113.4143.7-80.8-173.4000109.4
311P44.4Very low43.6Very low96 Ų96144.7 Ų144.762%0.62381%0.808SS**  trans-98.8144.7173.235.5-27.9000111.6Y309Y309-P311 HydrophobicContact CD1-CG 4.22Å
312G46.2Very low43.6Very low79 Ų79148 Ų14881%0.81481%0.812SS**  trans-156.7116.9172.900000110.2
313Y37Very low44Very low218 Ų218140.9 Ų140.986%0.85580%0.799SS**  trans-95.3140.6-175.7-69.5-97.5000111.7
314Y41.9Very low44.5Very low225 Ų225141.1 Ų141.188%0.88280%0.8SS**  trans-153.2130.8140.2-125.5-83.2000109.4
315L44Very low44.9Very low161 Ų161141.7 Ų141.784%0.84380%0.803SS**  trans-154.2116-179.4-145172.2000108.1
316S46.7Very low45.1Very low100 Ų100144.7 Ų144.770%0.69981%0.811SS**  trans-88.2136.1-179.4-59.50000111.1
317P51.8Low45.6Very low132 Ų132144.9 Ų144.986%0.85781%0.805SS**  trans-99.4166.5-169.938.7-37.1000114.9
318G44.5Very low45.8Very low70 Ų70141 Ų14172%0.72280%0.804SS**  trans132.7124.7174.700000110.9
319E40.5Very low46.5Very low195 Ų195145.5 Ų145.591%0.91181%0.806SS**  cis-137.2169.3-0.1-71.9165.8106.800110.5
320C43.5Very low47.1Very low126 Ų126142.7 Ų142.785%0.85180%0.804SS**  trans-159.4178.3-169.9-83.40000109.6
321P51Low48.1Very low118 Ų118139.5 Ų139.577%0.76679%0.794SS**  cis-129.5-171.7-46.239.2-24.8000110.6
322L42.8Very low49.2Very low162 Ų162140.7 Ų140.785%0.84880%0.801SS**  trans-157.4141.1150.4-108.5167000113.4
323S50.2Low49.7Very low86 Ų86143.1 Ų143.160%0.60180%0.801SS**  trans-21.6157165.953.90000120.1
324Q48.9Very low50.6Low187 Ų187137.8 Ų137.887%0.87480%0.802SS**  cis-163.6165.4-1.1-112165.6900109.5
325P49.5Very low51.5Low115 Ų115134.7 Ų134.775%0.74780%0.799SS**  trans-97.2160.3-175.938-34.2000114.5
326L47.1Very low52.1Low167 Ų167134.5 Ų134.587%0.87480%0.798SS**  trans-138.3139169.6-78.8179.4000114.6
327S50.6Low53.1Low108 Ų108135.5 Ų135.576%0.75580%0.802SS**  trans39.8108.315259.80000121
328V47.4Very low53.8Low136 Ų136133.8 Ų133.882%0.82479%0.791SS**  trans-37.7135.7146.4179.50000113.2
329F54.9Low54.3Low193 Ų193140.7 Ų140.785%0.84680%0.797SS**  trans-148.7135.3147.5-152.1-99.5000110.6
330L54.9Low55Low146 Ų146136.3 Ų136.376%0.76479%0.793SS**  trans-121.3129.1179.4-14781.1000108.4
331P73Confident55.5Low109 Ų109137.4 Ų137.471%0.70879%0.791SS**PPolyproline II helixtrans-71.7143.2175.629.5-33.9000111
332P67.2Low55.6Low121 Ų121137.5 Ų137.579%0.78679%0.789SS**PPolyproline II helixtrans-79.8156.6-176.632.7-36.1000113.1
333T55.8Low56.3Low131 Ų131137.5 Ų137.580%0.80479%0.788SS**PPolyproline II helixtrans-70.6128.6168.943.10000111.6
334A56.8Low56.6Low106 Ų106137.5 Ų137.588%0.87679%0.788SS**PPolyproline II helixtrans-77.9147170.100000111.5
335I61Low56.9Low160 Ų160136.9 Ų136.982%0.82179%0.788SS**  trans-109.2143.6-169-65.6169.3000110.6
336L55.2Low57.5Low157 Ų157141.3 Ų141.382%0.82281%0.813SS**  trans-72.7138.2175.3-73.7166.3000112
337P69.4Low58Low120 Ų120140.1 Ų140.178%0.77981%0.81SS**  trans-77.2134.7167.931.7-32.7000111.2
338P66.4Low58.4Low96 Ų96141.7 Ų141.762%0.62381%0.813SS**  trans-105.2165.3177.538.2-32.9000114.2
339Y54.2Low59Low216 Ų216142.1 Ų142.185%0.84781%0.812SS**  trans67.8116.3167.1-49.3-69.9000119.7
340A56.3Low59.2Low102 Ų102139.1 Ų139.184%0.84381%0.81SS**  -156.8159.8111.200000109.7
341N52.8Low59.5Low149 Ų149138.6 Ų138.680%0.79781%0.813SS**  trans-118.7147.1-174.1-91.8-44.2000112.6
342V52.9Low58.6Low120 Ų120140.6 Ų140.673%0.72782%0.82SS**  trans44116140.1-176.30000119.6
343I58.3Low58Low162 Ų162142 Ų14283%0.83182%0.822SS**  trans-174.2120.6138.3-90.9144.9000103.8
344S56.3Low58.1Low87 Ų87142.8 Ų142.861%0.60882%0.824SS**  cis88.8106.527.4-161.70000114.4
345M55.3Low58.2Low174 Ų174145.9 Ų145.986%0.85782%0.819SS**  trans68.5143.4179.2-48.9-175.5-177.200114.5
346T60.9Low58Low208 Ų208144.6 Ų144.6100%1.27682%0.819SS**  cis-122.901.452.30000111.5

Retrieved 346 of 346 residues in 398.7 ms (Link to these results)