A0A060D3Y5_MAIZE Loading...

WRKY transcription factor

AlphaFold DB (K7V3N0), UniProt , Accession A0A060D3Y5, Species MAIZE (Zea mays, Maize), Gene WRKY28, Length 359 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
1M50Low55.9Low237 Ų237125.9 Ų125.9100%1.16787%0.874SS**  0154.70-67.6156.579.800107.8
2S55.9Low55.8Low127 Ų127127 Ų12789%0.88886%0.863SS**  trans58.292.5174.4-530000116.6
3S53.4Low56.3Low120 Ų120132.2 Ų132.284%0.83987%0.866SS**  trans-77.5158.2161.645.10000111.5
4G60.8Low56.1Low80 Ų80135.9 Ų135.983%0.82587%0.865SS**  trans-142.5102.9172.900000110.8
5V55.6Low55.9Low123 Ų123132.1 Ų132.175%0.74586%0.862SS**  trans-132.4127-179.2-175.70000108.8
6R62.4Low55.6Low251 Ų251131.4 Ų131.495%0.94785%0.854SS**  trans-141.7132.4161.7-57.9-163.189.2-164.74.1109.4
7S55.2Low55.1Low122 Ų122134.6 Ų134.685%0.85385%0.854SS**  trans-112.9156.1178.3-57.30000111
8G57Low54.8Low81 Ų81134.5 Ų134.584%0.83584%0.841SS**  trans168.5136.2166.100000111.1
9G56.1Low54.6Low81 Ų81135.3 Ų135.384%0.83583%0.833SS**  cis158.4123.6-12.200000114.1
10G54.1Low54.1Low86 Ų86138.5 Ų138.589%0.88784%0.838SS**  trans86.2146.7167.600000115.9
11G54.8Low53.4Low77 Ų77135 Ų13579%0.79483%0.83SS**  trans147.328170.300000118.3
12D55Low53.3Low139 Ų139133.4 Ų133.474%0.74382%0.819SS**  trans-62.8144.4173.9-57.7-91.6000112.8
13H61.9Low52.5Low195 Ų195130.6 Ų130.690%0.90381%0.811SS**  trans-169.4106.4134.4-100.5-61.4000111.1
14H53.3Low51.8Low183 Ų183133.3 Ų133.385%0.84781%0.81SS**  trans-81.3130.9168.3-77.2-91.6000110.8
15G52.5Low50.9Low79 Ų79136.1 Ų136.181%0.81481%0.805SS**  trans-131104.4170.300000110.5
16V52Low50Low121 Ų121135 Ų13573%0.73381%0.809SS**  trans-107.4123.1178.3-179.80000109.1
17H47.5Very low48.7Very low186 Ų186126.6 Ų126.686%0.86180%0.8SS**  trans-133.4140.6159-145.4108.7000109.7
18H49Very low48.3Very low133 Ų133125.1 Ų125.162%0.61680%0.796SS**  trans-84.8146.9-176-9523000113.3
19Q50.4Low47.5Very low149 Ų149128.9 Ų128.970%0.69680%0.796SS**  trans38.4130.8134-50.3-179.436.200119.3
20H45.4Very low47.1Very low200 Ų200132 Ų13293%0.92679%0.794SS**  -158.5148.3106.3-94.983.7000107.7
21G39.6Very low46.3Very low65 Ų65131.4 Ų131.467%0.6779%0.787SS**  trans-127.9134.1-166.300000115.5
22H46.9Very low45.5Very low203 Ų203132.4 Ų132.494%0.9479%0.788SS**  trans-154.8142.7157.1-85.7-91.3000106.4
23G39.3Very low44.6Very low69 Ų69134.3 Ų134.371%0.71179%0.793SS**  cis156.749.7-3.400000114
24H39.9Very low43.3Very low177 Ų177133.4 Ų133.482%0.81978%0.783SS**  trans-149.3161.9173.3-140.763.2000116
25L40.6Very low42.5Very low138 Ų138127.9 Ų127.972%0.72377%0.769SS**  trans-57144.3-177.1-50.5174.9000111.7
26A38.2Very low41.9Very low100 Ų100130.1 Ų130.183%0.82676%0.756SS**  cis77.6128.543.900000113.9
27G35.1Very low41.4Very low75 Ų75133.9 Ų133.977%0.77376%0.759SS**  trans115.386.1-166.200000110.1
28A45Very low41Very low91 Ų91127.6 Ų127.675%0.75274%0.736SS**  78.5116.175.900000112.1
29D40.5Very low40.5Very low159 Ų159126.1 Ų126.185%0.8573%0.732SS**  trans-91.9129.9161.195.1-87000108.1
30D47.9Very low40.2Very low148 Ų148123.8 Ų123.879%0.79173%0.725SS**  trans-140.9145178.8-94.4-61.6000108.4
31G38.2Very low39.8Very low72 Ų72117.5 Ų117.574%0.74270%0.697SS**  trans-64.1138.6-17400000112.4E33G31-E33 VanDerWaalsContact C-N 3.29Å; G31-E33 PolarHBondContact O-N 3.35Å
32A38Very low39.9Very low99 Ų99119.6 Ų119.682%0.81869%0.689SS**  trans-69.88017900000112.4Y34A32-Y34 PolarHBondContact O-N 2.79Å; A32-Y34 VanDerWaalsContact O-N 3.09Å
33E35.1Very low39.3Very low179 Ų179112.7 Ų112.784%0.83666%0.664SS**  trans-6899.1167.1-171.7178.5135.400109.3G31 A35G31-E33 VanDerWaalsContact C-N 3.29Å; G31-E33 PolarHBondContact O-N 3.35Å; E33-A35 PolarHBondContact O-N 2.94Å
34Y34.6Very low39.2Very low176 Ų176116.6 Ų116.669%0.6966%0.661SS**  trans-80.180.5-173.6-154.3-79000111.6A32 F36A32-Y34 PolarHBondContact O-N 2.79Å; A32-Y34 VanDerWaalsContact O-N 3.09Å; Y34-F36 AromaticContact CD1-CD2 3.62Å; Y34-F36 HydrophobicContact CD1-CD2 3.62Å; Y34-F36 AromaticContact CD1-CE2 3.51Å; Y34-F36 HydrophobicContact CD1-CE2 3.51Å; Y34-F36 HydrophobicContact CD1-CG 4.44Å; Y34-F36 HydrophobicContact CD1-CZ 4.26Å; Y34-F36 AromaticContact CE1-CD2 3.86Å; Y34-F36 HydrophobicContact CE1-CD2 3.86Å; Y34-F36 HydrophobicContact CE1-CE1 4.32Å; Y34-F36 AromaticContact CE1-CE2 3.44Å; Y34-F36 HydrophobicContact CE1-CE2 3.44Å; Y34-F36 VanDerWaalsContact CE1-CE2 3.44Å; Y34-F36 HydrophobicContact CE1-CG 4.47Å; Y34-F36 AromaticContact CE1-CZ 3.7Å; Y34-F36 HydrophobicContact CE1-CZ 3.7Å; Y34-F36 PolarHBondContact O-N 3.48Å; Y34-F36 VanDerWaalsContact O-N 3.08Å
35A37.9Very low39Very low67 Ų67112.9 Ų112.955%0.55464%0.643SS**  trans-70.796.4179.300000112.3E33 Y37E33-A35 PolarHBondContact O-N 2.94Å; A35-Y37 PolarHBondContact O-N 3.37Å
36F39.2Very low38.9Very low125 Ų125114.7 Ų114.755%0.54865%0.645SS.*  trans-71.2104.1169.1-94.3-79.9000111Y34Y34-F36 AromaticContact CD1-CD2 3.62Å; Y34-F36 HydrophobicContact CD1-CD2 3.62Å; Y34-F36 AromaticContact CD1-CE2 3.51Å; Y34-F36 HydrophobicContact CD1-CE2 3.51Å; Y34-F36 HydrophobicContact CD1-CG 4.44Å; Y34-F36 HydrophobicContact CD1-CZ 4.26Å; Y34-F36 AromaticContact CE1-CD2 3.86Å; Y34-F36 HydrophobicContact CE1-CD2 3.86Å; Y34-F36 HydrophobicContact CE1-CE1 4.32Å; Y34-F36 AromaticContact CE1-CE2 3.44Å; Y34-F36 HydrophobicContact CE1-CE2 3.44Å; Y34-F36 VanDerWaalsContact CE1-CE2 3.44Å; Y34-F36 HydrophobicContact CE1-CG 4.47Å; Y34-F36 AromaticContact CE1-CZ 3.7Å; Y34-F36 HydrophobicContact CE1-CZ 3.7Å; Y34-F36 PolarHBondContact O-N 3.48Å; Y34-F36 VanDerWaalsContact O-N 3.08Å
37Y40.6Very low38.7Very low200 Ų200116 Ų11678%0.78464%0.638SS**  trans-66.1144.1162.3-79.2-97.7000109.8A35A35-Y37 PolarHBondContact O-N 3.37Å
38S39.1Very low38.7Very low54 Ų54120.9 Ų120.938%0.37864%0.641SS.*  trans-147.846.1-152.2-1700000113.1K200S38-K200 VanDerWaalsContact O-CE 3.24Å; S38-K200 WeakPolarHBondContact O-CE 3.35Å; S38-K200 PolarHBondContact O-NZ 3.06Å
39N39.5Very low38.3Very low102 Ų102122 Ų12255%0.54564%0.641SS.*  trans-115.6-21.7-170.9-68.2-8.3000114.9M41 K200N39-M41 VanDerWaalsContact C-N 3.29Å; N39-M41 PolarHBondContact O-N 3.18Å; N39-K200 PolarHBondContact OD1-NZ 3.11Å
40D43.1Very low38.1Very low101 Ų101119 Ų11954%0.5464%0.637SS.*THydrogen-bonded Turntrans-82.33.1-175.2-64.9-89.9000115.2S43 H107D40-S43 PolarHBondContact O-OG 3.13Å; D40-H107 IonicContact OD2-CD2 3.74Å; D40-H107 IonicContact OD2-NE2 2.7Å
41M38.3Very low37.7Very low68 Ų68117.4 Ų117.434%0.33564%0.638SS.*THydrogen-bonded Turntrans-85.7-28.2176.2-157-171.283.200113.3N39 S43 F44 F45 T199N39-M41 VanDerWaalsContact C-N 3.29Å; N39-M41 PolarHBondContact O-N 3.18Å; M41-S43 VanDerWaalsContact C-N 3.31Å; M41-S43 PolarHBondContact O-N 3.08Å; M41-F44 WeakPolarHBondContact O-CB 3.35Å; M41-F44 PolarHBondContact O-N 3.09Å; M41-F44 VanDerWaalsContact O-N 3.13Å; M41-F45 HydrophobicContact CE-CD2 4.19Å; M41-F45 HydrophobicContact CE-CE2 3.78Å; M41-F45 HydrophobicContact CE-CZ 4.25Å; M41-F45 HydrophobicContact CG-CD2 4.16Å; M41-F45 HydrophobicContact CG-CE2 3.78Å; M41-F45 WeakPolarHBondContact O-CD2 3.4Å; M41-F45 HydrophobicContact SD-CE2 3.96Å; M41-T199 HydrophobicContact CE-CG2 3.89Å
42E40.6Very low37.7Very low108 Ų108118.2 Ų118.251%0.50564%0.638SS.*Hα-helixtrans-70-30.2-171.7-65.5179.7142.800112.1F44E42-F44 VanDerWaalsContact C-N 3.28Å; E42-F44 PolarHBondContact O-N 2.94Å
43S35.8Very low37.6Very low59 Ų59121.3 Ų121.341%0.41364%0.641SS.*Hα-helixtrans-64.7-29.7172.859.40000113.2D40 M41 N47D40-S43 PolarHBondContact O-OG 3.13Å; M41-S43 VanDerWaalsContact C-N 3.31Å; M41-S43 PolarHBondContact O-N 3.08Å; S43-N47 WeakPolarHBondContact CA-ND2 3.28Å; S43-N47 WeakPolarHBondContact O-CB 3.18Å; S43-N47 PolarHBondContact O-N 3.21Å; S43-N47 PolarHBondContact O-ND2 3.1Å
44F35.6Very low38.1Very low151 Ų151119.3 Ų119.366%0.66264%0.64SS**Hα-helixtrans-77.9-23.1-173-123.4-82.6000113.9M41 E42M41-F44 WeakPolarHBondContact O-CB 3.35Å; M41-F44 PolarHBondContact O-N 3.09Å; M41-F44 VanDerWaalsContact O-N 3.13Å; E42-F44 VanDerWaalsContact C-N 3.28Å; E42-F44 PolarHBondContact O-N 2.94Å
45F36.2Very low38.4Very low99 Ų99118.6 Ų118.643%0.43465%0.648SS.*Hα-helixtrans-100.9-19.8-175.6-78.1-107.4000113.7M41 V74M41-F45 HydrophobicContact CE-CD2 4.19Å; M41-F45 HydrophobicContact CE-CE2 3.78Å; M41-F45 HydrophobicContact CE-CZ 4.25Å; M41-F45 HydrophobicContact CG-CD2 4.16Å; M41-F45 HydrophobicContact CG-CE2 3.78Å; M41-F45 WeakPolarHBondContact O-CD2 3.4Å; M41-F45 HydrophobicContact SD-CE2 3.96Å; F45-V74 HydrophobicContact CE1-CB 3.76Å; F45-V74 HydrophobicContact CE1-CG2 3.74Å; F45-V74 HydrophobicContact CZ-CB 4.27Å; F45-V74 HydrophobicContact CZ-CG2 3.74Å
46F38.5Very low38.5Very low176 Ų176123.1 Ų123.177%0.77266%0.663SS**Hα-helixtrans-122.1-11.8-169.9-69.9-76000115.8Q48F46-Q48 VanDerWaalsContact C-N 3.32Å; F46-Q48 PolarHBondContact O-N 3.12Å
47N34.4Very low38.4Very low126 Ų126120.6 Ų120.667%0.67467%0.673SS**  trans-7879.4174.7-79.9-62.2000112.2S43 P49S43-N47 WeakPolarHBondContact CA-ND2 3.28Å; S43-N47 WeakPolarHBondContact O-CB 3.18Å; S43-N47 PolarHBondContact O-N 3.21Å; S43-N47 PolarHBondContact O-ND2 3.1Å; N47-P49 VanDerWaalsContact O-CD 3.32Å; N47-P49 WeakPolarHBondContact O-CD 3.24Å
48Q34.3Very low38.1Very low179 Ų179115 Ų11584%0.83668%0.675SS**  trans-79.9109.4149.7-176.6174.8106.100107.4F46 A50F46-Q48 VanDerWaalsContact C-N 3.32Å; F46-Q48 PolarHBondContact O-N 3.12Å; Q48-A50 PolarHBondContact O-N 2.96Å
49P36.8Very low38.1Very low115 Ų115118.3 Ų118.375%0.74770%0.698SS**  trans-65121.6175.626.9-33.1000108.9N47 S51N47-P49 VanDerWaalsContact O-CD 3.32Å; N47-P49 WeakPolarHBondContact O-CD 3.24Å; P49-S51 PolarHBondContact O-N 3.24Å; P49-S51 VanDerWaalsContact O-N 3.14Å
50A36.8Very low38.3Very low94 Ų94124 Ų12478%0.77771%0.713SS**  trans-61.2117.6176.300000109.4Q48 A52Q48-A50 PolarHBondContact O-N 2.96Å; A50-A52 PolarHBondContact O-N 3.3Å
51S39Very low38.4Very low115 Ų115125.6 Ų125.680%0.80473%0.726SS**  trans-71.491-177.556.50000110.8P49P49-S51 PolarHBondContact O-N 3.24Å; P49-S51 VanDerWaalsContact O-N 3.14Å
52A38.8Very low38.2Very low90 Ų90126.4 Ų126.474%0.74475%0.752SS**  trans-78129.4173.300000111A50 V54A50-A52 PolarHBondContact O-N 3.3Å; A52-V54 PolarHBondContact O-N 3.34Å
53D35.3Very low38.3Very low164 Ų164125.8 Ų125.888%0.87777%0.765SS**  trans-67.6114.3-176.9-57.6-89.3000113.4
54V44.7Very low38.5Very low137 Ų137130.6 Ų130.683%0.8379%0.786SS**  trans-138.6117.9160.5-1800000110.8A52A52-V54 PolarHBondContact O-N 3.34Å
55N42Very low38.6Very low160 Ų160130.6 Ų130.686%0.85679%0.788SS**  trans-68.5137.6165.3-74.7-74.3000110.7
56N40.2Very low38.9Very low163 Ų163132.6 Ų132.687%0.87280%0.802SS**  -175.7155109-160.46.8000111.2
57G36.9Very low39.2Very low72 Ų72129.1 Ų129.174%0.74280%0.796SS**  trans-83.1147.2178.200000114
58G34.5Very low39.9Very low81 Ų81128.2 Ų128.284%0.83579%0.789SS**  trans-16255.6-178.500000113.8R60G58-R60 PolarHBondContact O-N 3.4Å
59S38.1Very low40.6Very low124 Ų124123.8 Ų123.887%0.86778%0.776SS**  trans-68124.6-177.6179.50000112.9
60R44.6Very low41.2Very low223 Ų223124 Ų12484%0.84278%0.777SS**  trans-164.1141.5155.3-116.6166.2178.8-143.3-6.5114.3G58G58-R60 PolarHBondContact O-N 3.4Å
61T45.3Very low41.6Very low134 Ų134123.9 Ų123.982%0.82276%0.757SS**  trans49.8103.5160.750.90000117.4
62G33.6Very low42.2Very low85 Ų85123.4 Ų123.488%0.87675%0.754SS**  trans-73.7132.917300000113.4
63A42.6Very low43Very low94 Ų94120.4 Ų120.478%0.77773%0.728SS**  trans-100.116014000000107.8E65A63-E65 PolarHBondContact O-N 3.35Å
64D39.7Very low44.1Very low161 Ų161114.5 Ų114.586%0.86170%0.697SS**  trans-81.568.2-177.2-153.63.8000110.4L66D64-L66 PolarHBondContact O-N 3.42Å
65E37.5Very low44.9Very low151 Ų151108.3 Ų108.371%0.70666%0.66SS**  trans-75.4110178.1-167-171.911400109.9A63 T67A63-E65 PolarHBondContact O-N 3.35Å; E65-T67 PolarHBondContact O-N 3.18Å; E65-T67 PolarHBondContact OE1-OG1 3.13Å
66L43.2Very low45.8Very low140 Ų140103.7 Ų103.773%0.73364%0.635SS**  trans-74.762.8172.2-76.2166.3000111.1D64 M68D64-L66 PolarHBondContact O-N 3.42Å; L66-M68 HydrophobicContact CB-CE 4.26Å; L66-M68 PolarHBondContact O-N 3.05Å
67T45.7Very low46.7Very low104 Ų104101.2 Ų101.264%0.63861%0.614SS**  trans-60.2101.2171.5-38.70000108.6E65E65-T67 PolarHBondContact O-N 3.18Å; E65-T67 PolarHBondContact OE1-OG1 3.13Å
68M48.2Very low48Very low106 Ų10698.7 Ų98.752%0.52258%0.584SS.*  trans-62.6138.5-176-76.2-72.9101.900111.4L66L66-M68 HydrophobicContact CB-CE 4.26Å; L66-M68 PolarHBondContact O-N 3.05Å
69P49.6Very low49.3Very low87 Ų8796.6 Ų96.657%0.56555%0.552SS**  trans-65.6148.1173.729.4-34.7000110.5Y71P69-Y71 PolarHBondContact O-N 2.78Å
70P49.1Very low50.2Low120 Ų12091.8 Ų91.878%0.77952%0.522SS*.  trans-68.3103.1-179.426.8-34000111.6S72P70-S72 PolarHBondContact O-N 3.42Å; P70-S72 PolarHBondContact O-OG 2.9Å
71Y45.6Very low50.8Low91 Ų9183.5 Ų83.536%0.35749%0.492SS..  trans-55.5120.2176.1-69.9-75.3000111.2P69 S73 D76 Y77P69-Y71 PolarHBondContact O-N 2.78Å; Y71-S73 VanDerWaalsContact C-N 3.31Å; Y71-S73 PolarHBondContact O-N 3.29Å; Y71-D76 HydrophobicContact CD1-CB 4.09Å; Y71-Y77 AromaticContact CD2-CD2 3.98Å; Y71-Y77 HydrophobicContact CD2-CD2 3.98Å; Y71-Y77 HydrophobicContact CE2-CD2 4.3Å
72S50.6Low51.4Low104 Ų10480 Ų8073%0.72747%0.467SS*.SBendtrans-87.65-167.8-60.70000114.3P70 D76P70-S72 PolarHBondContact O-N 3.42Å; P70-S72 PolarHBondContact O-OG 2.9Å; S72-D76 PolarHBondContact N-OD2 2.86Å
73S55.1Low52.7Low28 Ų2881 Ų8120%0.19645%0.452CS..SBendtrans-160.5153174.9165.80000109.5Y71 T75 D76 Y77 D208Y71-S73 VanDerWaalsContact C-N 3.31Å; Y71-S73 PolarHBondContact O-N 3.29Å; S73-T75 PolarHBondContact O-N 3.2Å; S73-T75 PolarHBondContact OG-N 2.71Å; S73-T75 VanDerWaalsContact OG-N 3.15Å; S73-D76 WeakPolarHBondContact O-CB 3.47Å; S73-D76 PolarHBondContact O-N 2.91Å; S73-Y77 PolarHBondContact O-N 2.71Å; S73-D208 PolarHBondContact OG-O 2.78Å
74V59.1Low53.2Low40 Ų4081.7 Ų81.724%0.24244%0.441CS..Hα-helixtrans-47.2-43.516863.50000111.8F45 D76 Y77 L78 D208F45-V74 HydrophobicContact CE1-CB 3.76Å; F45-V74 HydrophobicContact CE1-CG2 3.74Å; F45-V74 HydrophobicContact CZ-CB 4.27Å; F45-V74 HydrophobicContact CZ-CG2 3.74Å; V74-D76 VanDerWaalsContact C-N 3.27Å; V74-D76 PolarHBondContact O-N 2.84Å; V74-Y77 WeakPolarHBondContact O-CB 3.47Å; V74-Y77 PolarHBondContact O-N 2.58Å; V74-L78 HydrophobicContact CG2-CD2 4.27Å; V74-L78 HydrophobicContact CG2-CG 4.4Å; V74-L78 VanDerWaalsContact O-CG 3.22Å; V74-L78 WeakPolarHBondContact O-CG 3.33Å; V74-L78 PolarHBondContact O-N 3.06Å; V74-D208 HydrophobicContact CG1-CB 4.14Å
75T61.6Low53.7Low6 Ų678.5 Ų78.54%0.03742%0.424CS..Hα-helixtrans-70.9-22.9-177.5-40.10000113S73 L78 Q79 D208 Y210S73-T75 PolarHBondContact O-N 3.2Å; S73-T75 PolarHBondContact OG-N 2.71Å; S73-T75 VanDerWaalsContact OG-N 3.15Å; T75-L78 PolarHBondContact O-N 3.06Å; T75-Q79 WeakPolarHBondContact O-CB 3.17Å; T75-Q79 PolarHBondContact O-N 3.22Å; T75-D208 WeakPolarHBondContact OG1-CB 3.31Å; T75-D208 PolarHBondContact OG1-O 2.86Å; T75-Y210 HydrophobicContact CG2-CD2 3.66Å; T75-Y210 HydrophobicContact CG2-CE2 3.35Å
76D60.4Low54.4Low63 Ų6374.4 Ų74.434%0.33741%0.41SS..Hα-helixtrans-74-43175.9-151.941000109.5Y71 S72 S73 V74 Q79 G80Y71-D76 HydrophobicContact CD1-CB 4.09Å; S72-D76 PolarHBondContact N-OD2 2.86Å; S73-D76 WeakPolarHBondContact O-CB 3.47Å; S73-D76 PolarHBondContact O-N 2.91Å; V74-D76 VanDerWaalsContact C-N 3.27Å; V74-D76 PolarHBondContact O-N 2.84Å; D76-Q79 WeakPolarHBondContact O-CB 3.19Å; D76-Q79 PolarHBondContact O-N 3.32Å; D76-G80 PolarHBondContact O-N 3.27Å; D76-G80 VanDerWaalsContact O-N 3.11Å
77Y59.7Low54.8Low112 Ų11271.2 Ų71.244%0.43940%0.399SS..Hα-helixtrans-63.6-38.8167.8-178.2-101.7000112.2Y71 S73 V74 Q79 G80 F81Y71-Y77 AromaticContact CD2-CD2 3.98Å; Y71-Y77 HydrophobicContact CD2-CD2 3.98Å; Y71-Y77 HydrophobicContact CE2-CD2 4.3Å; S73-Y77 PolarHBondContact O-N 2.71Å; V74-Y77 WeakPolarHBondContact O-CB 3.47Å; V74-Y77 PolarHBondContact O-N 2.58Å; Y77-Q79 VanDerWaalsContact C-N 3.25Å; Y77-Q79 PolarHBondContact O-N 3.21Å; Y77-G80 PolarHBondContact O-N 3.39Å; Y77-F81 WeakPolarHBondContact O-CB 3.43Å; Y77-F81 PolarHBondContact O-N 2.79Å
78L63.8Low55.1Low19 Ų1967.7 Ų67.710%0.09938%0.384CS..Hα-helixtrans-63.3-33.2173.7-59.4-158.3000112.2V74 T75 F81 M82 F197 Y257V74-L78 HydrophobicContact CG2-CD2 4.27Å; V74-L78 HydrophobicContact CG2-CG 4.4Å; V74-L78 VanDerWaalsContact O-CG 3.22Å; V74-L78 WeakPolarHBondContact O-CG 3.33Å; V74-L78 PolarHBondContact O-N 3.06Å; T75-L78 PolarHBondContact O-N 3.06Å; L78-F81 PolarHBondContact O-N 3.38Å; L78-M82 WeakPolarHBondContact O-CG 3.48Å; L78-M82 PolarHBondContact O-N 3.1Å; L78-F197 HydrophobicContact CD1-CD2 4.35Å; L78-F197 HydrophobicContact CD1-CE2 3.35Å; L78-F197 HydrophobicContact CD1-CZ 3.48Å; L78-F197 VanDerWaalsContact CD1-CZ 3.48Å; L78-F197 HydrophobicContact CD2-CE1 3.7Å; L78-F197 HydrophobicContact CD2-CE2 4.03Å; L78-F197 HydrophobicContact CD2-CZ 3.26Å; L78-F197 HydrophobicContact CG-CE2 4.32Å; L78-F197 HydrophobicContact CG-CZ 3.99Å; L78-Y257 HydrophobicContact CD1-CD2 4.15Å; L78-Y257 HydrophobicContact CD1-CE2 4.23Å
79Q62.9Low55.1Low37 Ų3766.2 Ų66.217%0.17338%0.378CS..Hα-helixtrans-67.7-47.5177-165.749.569.500109.9T75 D76 Y77 F81 M82 D83T75-Q79 WeakPolarHBondContact O-CB 3.17Å; T75-Q79 PolarHBondContact O-N 3.22Å; D76-Q79 WeakPolarHBondContact O-CB 3.19Å; D76-Q79 PolarHBondContact O-N 3.32Å; Y77-Q79 VanDerWaalsContact C-N 3.25Å; Y77-Q79 PolarHBondContact O-N 3.21Å; Q79-F81 VanDerWaalsContact C-N 3.31Å; Q79-F81 PolarHBondContact O-N 2.96Å; Q79-M82 PolarHBondContact O-N 3.3Å; Q79-M82 VanDerWaalsContact O-N 3.12Å; Q79-D83 VanDerWaalsContact NE2-CG 3.31Å; Q79-D83 PolarHBondContact NE2-OD1 3.4Å; Q79-D83 PolarHBondContact NE2-OD2 3.25Å; Q79-D83 PolarHBondContact O-N 3.35Å
80G56.9Low54.9Low22 Ų2264.3 Ų64.323%0.22737%0.37CS..Hα-helixtrans-56.6-40.7170.500000113.5D76 Y77 M82 D83 M84D76-G80 PolarHBondContact O-N 3.27Å; D76-G80 VanDerWaalsContact O-N 3.11Å; Y77-G80 PolarHBondContact O-N 3.39Å; G80-M82 VanDerWaalsContact C-N 3.33Å; G80-M82 PolarHBondContact O-N 2.7Å; G80-D83 PolarHBondContact O-N 2.86Å; G80-M84 WeakPolarHBondContact O-CB 3.37Å; G80-M84 PolarHBondContact O-N 3.03Å
81F56.3Low55Low49 Ų4968 Ų6822%0.21537%0.368CS..Hα-helixtrans-66.9-29.8176.7-176.8-98.1000113.6Y77 L78 Q79 L89 V111 V113Y77-F81 WeakPolarHBondContact O-CB 3.43Å; Y77-F81 PolarHBondContact O-N 2.79Å; L78-F81 PolarHBondContact O-N 3.38Å; Q79-F81 VanDerWaalsContact C-N 3.31Å; Q79-F81 PolarHBondContact O-N 2.96Å; F81-L89 HydrophobicContact CD2-CD1 4.31Å; F81-L89 HydrophobicContact CE2-CD1 3.68Å; F81-L89 HydrophobicContact CZ-CD1 4.43Å; F81-V111 HydrophobicContact CE1-CG1 3.88Å; F81-V111 HydrophobicContact CE2-CG1 4.49Å; F81-V111 HydrophobicContact CZ-CB 4.41Å; F81-V111 HydrophobicContact CZ-CG1 3.58Å; F81-V113 HydrophobicContact CE1-CG2 3.54Å; F81-V113 HydrophobicContact CZ-CG2 3.69Å
82M58.2Low54.8Low61 Ų6171 Ų7130%0.339%0.385SS..Hα-helixtrans-83.5-24.2175.3-73.7-161.47000113.9L78 Q79 G80 P193 Q260L78-M82 WeakPolarHBondContact O-CG 3.48Å; L78-M82 PolarHBondContact O-N 3.1Å; Q79-M82 PolarHBondContact O-N 3.3Å; Q79-M82 VanDerWaalsContact O-N 3.12Å; G80-M82 VanDerWaalsContact C-N 3.33Å; G80-M82 PolarHBondContact O-N 2.7Å; M82-P193 HydrophobicContact CE-CB 3.85Å; M82-P193 HydrophobicContact CE-CG 3.8Å; M82-Q260 HydrophobicContact CE-CB 4.35Å; M82-Q260 HydrophobicContact SD-CB 4.49Å
83D60.1Low54.8Low106 Ų10673 Ų7357%0.56739%0.387SS*.Hα-helixtrans-93.6-8.6179.6-62.8-37.9000113Q79 G80 Q260Q79-D83 VanDerWaalsContact NE2-CG 3.31Å; Q79-D83 PolarHBondContact NE2-OD1 3.4Å; Q79-D83 PolarHBondContact NE2-OD2 3.25Å; Q79-D83 PolarHBondContact O-N 3.35Å; G80-D83 PolarHBondContact O-N 2.86Å; D83-Q260 PolarHBondContact OD1-NE2 3Å
84M54.5Low54.7Low108 Ų10877.5 Ų77.553%0.53241%0.409SS..SBendtrans-81.7137.4173.9-173.564.374.300112G80 P86G80-M84 WeakPolarHBondContact O-CB 3.37Å; G80-M84 PolarHBondContact O-N 3.03Å; M84-P86 WeakPolarHBondContact O-CD 3.49Å
85D49.9Very low53.9Low94 Ų9478.5 Ų78.550%0.50342%0.421SS..  trans-65.1124.7170.2-179.6-8.8000110S87 G88D85-S87 PolarHBondContact O-N 2.89Å; D85-S87 WeakPolarHBondContact OD1-CB 3.41Å; D85-S87 PolarHBondContact OD1-N 2.91Å; D85-S87 PolarHBondContact OD1-OG 3.3Å; D85-S87 PolarHBondContact OD2-OG 3.19Å; D85-G88 PolarHBondContact O-N 3.41Å
86P53Low52.9Low66 Ų6683.7 Ų83.743%0.42946%0.455SS..Hα-helixtrans-52.5-27.2174.9-27.935.9000114.2M84 G88 L89 A90M84-P86 WeakPolarHBondContact O-CD 3.49Å; P86-G88 PolarHBondContact O-N 3.13Å; P86-L89 PolarHBondContact O-N 3.38Å; P86-A90 PolarHBondContact O-N 2.94Å
87S51.3Low51.7Low72 Ų7286.8 Ų86.850%0.50348%0.48SS..Hα-helixtrans-61.1-29.7174.5-44.50000112.7D85 R91D85-S87 PolarHBondContact O-N 2.89Å; D85-S87 WeakPolarHBondContact OD1-CB 3.41Å; D85-S87 PolarHBondContact OD1-N 2.91Å; D85-S87 PolarHBondContact OD1-OG 3.3Å; D85-S87 PolarHBondContact OD2-OG 3.19Å; S87-R91 WeakPolarHBondContact O-CG 3.48Å; S87-R91 PolarHBondContact O-N 2.9Å
88G50.7Low50.7Low31 Ų3188.8 Ų88.832%0.3250%0.498SS..Hα-helixtrans-70.8-37.2175.900000113D85 P86 R91 H92D85-G88 PolarHBondContact O-N 3.41Å; P86-G88 PolarHBondContact O-N 3.13Å; G88-R91 PolarHBondContact O-N 2.82Å; G88-H92 PolarHBondContact O-N 2.73Å; G88-H92 VanDerWaalsContact O-N 3.12Å
89L48.1Very low49.4Very low74 Ų7496.1 Ų96.139%0.38754%0.536SS..Hα-helixtrans-66.2-43.6176.7-71.2170.8000111.6F81 P86 R91 H92 L93F81-L89 HydrophobicContact CD2-CD1 4.31Å; F81-L89 HydrophobicContact CE2-CD1 3.68Å; F81-L89 HydrophobicContact CZ-CD1 4.43Å; P86-L89 PolarHBondContact O-N 3.38Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 2.87Å; L89-H92 PolarHBondContact O-N 2.93Å; L89-H92 VanDerWaalsContact O-N 3.1Å; L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 2.97Å
90A45.6Very low48.2Very low48 Ų4899 Ų9940%0.39757%0.566SS.*Hα-helixtrans-56.3-46.8173.600000111.5P86 H92 L93 D94P86-A90 PolarHBondContact O-N 2.94Å; A90-H92 PolarHBondContact O-N 2.87Å; A90-L93 PolarHBondContact O-N 2.76Å; A90-D94 WeakPolarHBondContact O-CB 3.39Å; A90-D94 PolarHBondContact O-N 3.23Å
91R50.7Low47.4Very low197 Ų197107 Ų10774%0.74360%0.597SS**Hα-helixtrans-62-26.1177.5-65.1-10264.8174.6-0.2114S87 G88 L89S87-R91 WeakPolarHBondContact O-CG 3.48Å; S87-R91 PolarHBondContact O-N 2.9Å; G88-R91 PolarHBondContact O-N 2.82Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 2.87Å
92H41.5Very low46.5Very low154 Ų154112.5 Ų112.571%0.71363%0.629SS**Hα-helixtrans-90.5-25.4179.4-157.5-41000112.9G88 L89 A90G88-H92 PolarHBondContact O-N 2.73Å; G88-H92 VanDerWaalsContact O-N 3.12Å; L89-H92 PolarHBondContact O-N 2.93Å; L89-H92 VanDerWaalsContact O-N 3.1Å; A90-H92 PolarHBondContact O-N 2.87Å
93L51.7Low45.5Very low145 Ų145113.8 Ų113.876%0.75965%0.649SS**Hα-helixtrans-82.9-34.2174.7-67.3167.8000112.1L89 A90 A95L89-L93 WeakPolarHBondContact O-CG 3.42Å; L89-L93 PolarHBondContact O-N 2.97Å; A90-L93 PolarHBondContact O-N 2.76Å; L93-A95 PolarHBondContact O-N 2.85Å; L93-A95 VanDerWaalsContact O-N 3.13Å
94D52.7Low44.5Very low123 Ų123114.9 Ų114.966%0.65866%0.662SS**SBendtrans-7717.2176.4-74.1-38.3000114.2A90 P96A90-D94 WeakPolarHBondContact O-CB 3.39Å; A90-D94 PolarHBondContact O-N 3.23Å; D94-P96 WeakPolarHBondContact O-CD 3.42Å
95A42.3Very low43.7Very low61 Ų61117.8 Ų117.850%0.50468%0.679SS.*  trans-84.7111.2178.900000110.6L93 C97L93-A95 PolarHBondContact O-N 2.85Å; L93-A95 VanDerWaalsContact O-N 3.13Å; A95-C97 PolarHBondContact O-N 3.42Å
96P41.1Very low43.5Very low115 Ų115122.6 Ų122.675%0.74770%0.696SS**  trans-71.5126.3-171.928.2-34.7000112.1D94 L98D94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-L98 PolarHBondContact O-N 2.9Å
97C34.4Very low42.7Very low129 Ų129123.6 Ų123.687%0.87270%0.695SS**  trans-58.4134.3175.2-55.30000111.5A95A95-C97 PolarHBondContact O-N 3.42Å
98L39.5Very low41.8Very low153 Ų153127.3 Ų127.380%0.80170%0.704SS**  trans-111.1127.2170.5-61.8-174.6000110.5P96P96-L98 PolarHBondContact O-N 2.9Å
99L36.4Very low41Very low173 Ų173132.5 Ų132.591%0.90672%0.724SS**SBendtrans76.2157.4168.2-52.5171.6000117.5
100A37.2Very low40.5Very low97 Ų97132.9 Ų132.980%0.80273%0.732SS**  trans69.868.4172.700000117.9
101E40.6Very low40.1Very low190 Ų190134.1 Ų134.189%0.88874%0.735SS**  trans17147.6137.2-44.8-162.5109.500122.4
102D38.3Very low39.5Very low165 Ų165130.3 Ų130.388%0.88273%0.729SS**  trans79.7131.6170.9-75.7-47.4000121.4
103A36.8Very low39.5Very low88 Ų88126.3 Ų126.373%0.72772%0.716SS**  trans59.9109167.200000120.1L105A103-L105 PolarHBondContact O-N 3.5Å
104P37.7Very low39.1Very low129 Ų129125.1 Ų125.184%0.83872%0.719SS**  trans-86.2101.9176.233.6-33.2000113.3
105L39.4Very low38.7Very low170 Ų170126.8 Ų126.889%0.8972%0.717SS**  trans-88.9128.2162.9-76.7173.5000110.7A103A103-L105 PolarHBondContact O-N 3.5Å
106K44.4Very low38.5Very low195 Ų195131.1 Ų131.185%0.84873%0.732SS**  trans-97.1112.6178.8-55.9174-173.1175.70108.9
107H35.8Very low38.7Very low87 Ų87130.1 Ų130.140%0.40373%0.728SS.*  trans-12188.4178.6-172.5-92.3000111.1D40D40-H107 IonicContact OD2-CD2 3.74Å; D40-H107 IonicContact OD2-NE2 2.7Å
108E32.6Very low39Very low150 Ų150132.3 Ų132.370%0.70173%0.725SS**  trans-87.3108-175-65.4-81.497.100111.4S110E108-S110 PolarHBondContact O-N 2.7Å
109L35.1Very low38.9Very low140 Ų140128.8 Ų128.873%0.73373%0.726SS**  trans-87.296.8173.1-74.3171.6000110.9V111L109-V111 PolarHBondContact O-N 2.8Å
110S37.3Very low39.1Very low81 Ų81126.7 Ų126.757%0.56672%0.72SS**  trans-72.3108175.7-165.40000111.7E108 D112E108-S110 PolarHBondContact O-N 2.7Å; S110-D112 PolarHBondContact OG-OD2 3.41Å; S110-D112 VanDerWaalsContact OG-OD2 3.13Å
111V37.7Very low39.2Very low74 Ų74127.9 Ų127.945%0.44872%0.723SS.*  trans-112.994.3170.6-1710000109.3F81 L109 V113 V195F81-V111 HydrophobicContact CE1-CG1 3.88Å; F81-V111 HydrophobicContact CE2-CG1 4.49Å; F81-V111 HydrophobicContact CZ-CB 4.41Å; F81-V111 HydrophobicContact CZ-CG1 3.58Å; L109-V111 PolarHBondContact O-N 2.8Å; V111-V113 VanDerWaalsContact C-N 3.28Å; V111-V113 HydrophobicContact CG1-CG2 4.17Å; V111-V113 PolarHBondContact O-N 2.7Å; V111-V195 HydrophobicContact CG1-CG1 4.43Å
112D37.6Very low39.1Very low118 Ų118122.7 Ų122.763%0.63172%0.721SS**  trans-68.470.3-176.1-76.7-96.4000114.6S110 S114S110-D112 PolarHBondContact OG-OD2 3.41Å; S110-D112 VanDerWaalsContact OG-OD2 3.13Å; D112-S114 PolarHBondContact O-N 3.12Å; D112-S114 VanDerWaalsContact O-N 3.1Å
113V40.7Very low39.3Very low70 Ų70119.7 Ų119.742%0.42472%0.718SS.*  trans-80.582.3167.6-173.10000109.7F81 V111 Y115F81-V113 HydrophobicContact CE1-CG2 3.54Å; F81-V113 HydrophobicContact CZ-CG2 3.69Å; V111-V113 VanDerWaalsContact C-N 3.28Å; V111-V113 HydrophobicContact CG1-CG2 4.17Å; V111-V113 PolarHBondContact O-N 2.7Å; V113-Y115 HydrophobicContact CG1-CD1 4.48Å; V113-Y115 PolarHBondContact O-N 2.87Å
114S44.5Very low39.6Very low119 Ų119121.8 Ų121.883%0.83273%0.725SS**  trans-68.792.4171.5-62.50000111.7D112D112-S114 PolarHBondContact O-N 3.12Å; D112-S114 VanDerWaalsContact O-N 3.1Å
115Y42.8Very low39.9Very low158 Ų158119 Ų11962%0.6272%0.719SS**  trans-102141.5161.371.8-89.9000110.4V113 S117V113-Y115 HydrophobicContact CG1-CD1 4.48Å; V113-Y115 PolarHBondContact O-N 2.87Å; Y115-S117 WeakPolarHBondContact CD2-OG 3.49Å
116D39.2Very low40.1Very low152 Ų152119.4 Ų119.481%0.81372%0.723SS**  trans-114.584.6-173.4-159.5-49000109.1
117S45.5Very low39.9Very low94 Ų94114 Ų11466%0.65772%0.722SS**  trans-88.8113.4-178.4-810000111.3Y115 G119Y115-S117 WeakPolarHBondContact CD2-OG 3.49Å; S117-G119 PolarHBondContact O-N 3.48Å
118Q40.3Very low40.2Very low176 Ų176115 Ų11582%0.82275%0.746SS**  trans-75.894-178.4-67.5179.9-8.900111.6
119G37.3Very low40.6Very low79 Ų79113 Ų11381%0.81475%0.754SS**  trans-68.3134.7173.300000112.7S117S117-G119 PolarHBondContact O-N 3.48Å
120T41.4Very low40.8Very low128 Ų128110 Ų11079%0.78575%0.75SS**  trans-105.3108.3-177.854.10000112.5
121S38Very low41.1Very low122 Ų122113.2 Ų113.285%0.85376%0.758SS**  trans37.5104.6150.659.10000119.4
122G38.7Very low41.1Very low82 Ų82117.6 Ų117.685%0.84577%0.773SS**  trans-134.4138.2155.200000109.7
123A43.1Very low41.3Very low101 Ų101118.7 Ų118.784%0.83578%0.784SS**  trans-95.3159.2-173.200000112.6
124P42.2Very low41.7Very low133 Ų133121 Ų12186%0.86480%0.8SS**  trans-94.9175.8-16138.4-37.8000115.1
125G44.1Very low41.4Very low70 Ų70122.5 Ų122.572%0.72280%0.799SS**  trans-131.1155.5163.400000111.2
126D42.8Very low41.3Very low179 Ų179119.1 Ų119.196%0.95780%0.799SS**  trans-83.8152.1-160.1-53.4-91.3000116.4
127G40.9Very low41.4Very low82 Ų82117.6 Ų117.685%0.84580%0.8SS**  trans-168.4120.1169.700000111
128A42.4Very low41.3Very low108 Ų108120.2 Ų120.289%0.89381%0.811SS**  trans-103.7136-161.500000115.2
129A41.5Very low41.2Very low106 Ų106117.6 Ų117.688%0.87681%0.813SS**  trans-157131.8151.400000112.7
130A39.6Very low41.4Very low77 Ų77122.3 Ų122.364%0.63682%0.818SS**  trans-49.7141.9-174.900000117.9
131M42.7Very low41.2Very low150 Ų150122.1 Ų122.174%0.73982%0.822SS**  63.2138.798.6-55.6-167.6-58.700116.2
132H38.4Very low41.3Very low166 Ų166120.5 Ų120.577%0.76981%0.811SS**  cis-161165.7-5.5-92.4152.2000109.2
133T42.2Very low41.7Very low140 Ų140122.3 Ų122.386%0.85981%0.81SS**  trans-116.5139.6166.548.20000112.6
134P47.5Very low41.8Very low119 Ų119123.8 Ų123.877%0.77380%0.804SS**  trans-141.4132.4133.233.1-17.4000111.8
135N38Very low42.5Very low151 Ų151129.4 Ų129.481%0.80781%0.808SS**  93.3150.969-169.739.7000114.6
136S42.1Very low42.8Very low87 Ų87135.6 Ų135.661%0.60882%0.819SS**  trans67.994.1161.146.80000121.1
137S40.1Very low43.4Very low119 Ų119131 Ų13183%0.83281%0.813SS**  35.9121.1115.4-45.50000121.7
138V44.9Very low43.7Very low149 Ų149136.8 Ų136.890%0.90382%0.818SS**  trans-141.2150.2143.3-75.40000110.4
139S36.6Very low43.8Very low122 Ų122135.2 Ų135.285%0.85381%0.812SS**  trans-112.7151.2179.5-54.10000111.3
140L42.9Very low44.1Very low178 Ų178139 Ų13993%0.93281%0.812SS**  trans-135.3147.4171.4-71.2176.7000111.8
141S37.1Very low44.4Very low123 Ų123142.5 Ų142.586%0.8682%0.819SS**  trans-166.5162.2179.6-149.50000108.6
142S40.6Very low44.9Very low89 Ų89147 Ų14762%0.62283%0.828SS**  cis-141.9-178.82.9680000110.5
143S46.5Very low45.1Very low119 Ų119150.2 Ų150.283%0.83283%0.833SS**  trans-175.5150.8130.536.80000113.5
144D44.9Very low45.3Very low132 Ų132149.6 Ų149.671%0.70683%0.833SS**  trans-98.5156.3-167-48.5-99.9000113.6
145R56.1Low45.3Very low252 Ų252155 Ų15595%0.95184%0.838SS**  trans-142.5133.7155-70.6-60.3167.3126.2-2.4111.1
146E51.7Low45.6Very low200 Ų200157.8 Ų157.894%0.93584%0.843SS**  trans-94.2163.3-174-58.3172.8118.200112.3
147G55.2Low45.7Very low81 Ų81157.2 Ų157.284%0.83585%0.85SS**  trans-166.399.8174.800000112.5
148E47.3Very low46.4Very low205 Ų205163.1 Ų163.196%0.95885%0.854SS**  trans-81.9152.4-175.8-62-17092.500114.2
149G45.3Very low46.8Very low75 Ų75161.7 Ų161.777%0.77385%0.848SS**  trans-154.841.9-166.900000118.6
150Q47Very low47.4Very low185 Ų185164 Ų16486%0.86484%0.843SS**  trans48.198.4159.5-61.7-169.431.100121.6
151L45Very low47.8Very low150 Ų150158.4 Ų158.479%0.78582%0.822SS**  trans-6.7129.5138.1-65.2162.1000120
152R53Low48.7Very low244 Ų244159.1 Ų159.192%0.92181%0.812SS**  trans-143.5145.1133-75.7-58166.9152.5-6.4112.7
153R43.2Very low49.5Very low234 Ų234161.5 Ų161.588%0.88382%0.818SS**  trans-139.7137.1176.9-78.2178.9168.4177.1-3.8110.6
154C47Very low50Low127 Ų127163.1 Ų163.186%0.85882%0.817SS**  trans-158.4124.7152.2-94.50000107
155R46.9Very low50.5Low233 Ų233161.3 Ų161.388%0.87982%0.821SS**  cis94.995.344.9-86.3-164.1166.4-168.3-0.5115.3
156K44.8Very low50.3Low210 Ų210159 Ų15991%0.91382%0.82SS**  94.6123.5115.8-171.8169-180171.20121.2
157G43.2Very low50.1Low74 Ų74153 Ų15376%0.76381%0.812SS**  trans129.2144155.600000113.6
158R55Low49.9Very low243 Ų243156.5 Ų156.592%0.91781%0.812SS**  cis-161.6146.1-14.6176.3178.7174.9-115.60.7108.2
159P54.8Low50.1Low119 Ų119154.4 Ų154.477%0.77380%0.802SS**  trans-107.5159-170.339.9-35.4000116.9
160K48.6Very low50.4Low172 Ų172159.8 Ų159.875%0.74880%0.804SS**  trans-176.7149.7153.7-108.5-131.1144.3-1540107.2E162K160-E162 IonicContact NZ-OE1 2.75Å; K160-E162 PolarHBondContact NZ-OE1 2.93Å; K160-E162 IonicContact NZ-OE2 3.34Å; K160-E162 PolarHBondContact NZ-OE2 3.42Å
161A51.4Low50.5Low59 Ų59156.9 Ų156.949%0.48879%0.794SS.*  cis-167.3177-14.800000111.4
162E56.1Low50.6Low139 Ų139157.8 Ų157.865%0.6580%0.795SS**  trans35.2133.814076.7-132.6155.900120K160K160-E162 IonicContact NZ-OE1 2.75Å; K160-E162 PolarHBondContact NZ-OE1 2.93Å; K160-E162 IonicContact NZ-OE2 3.34Å; K160-E162 PolarHBondContact NZ-OE2 3.42Å
163D57.1Low50.5Low138 Ų138155.4 Ų155.474%0.73879%0.794SS**  cis-144.7152.828.6-67.6-62.2000116.2
164D57.4Low50.5Low154 Ų154152.4 Ų152.482%0.82480%0.795SS**  trans50.7151135.8-62.6-16.7000129
165A53.8Low50.4Low94 Ų94150.1 Ų150.178%0.77779%0.793SS**  trans108.498.7144.800000120.6
166E51.9Low50.4Low203 Ų203148.4 Ų148.495%0.94980%0.795SS**  trans29.6143.9140-55.1-175.2158.100122.3
167G47.7Very low50.1Low73 Ų73145.5 Ų145.575%0.75379%0.79SS**  cis165.5-166.60.600000114.1
168D51.9Low50.2Low156 Ų156146.2 Ų146.283%0.83478%0.783SS**  trans77.9147179-155.328.8000118.7
169E50.9Low49.8Very low161 Ų161141.9 Ų141.975%0.75278%0.784SS**  trans-138.5146.3-162.7-54.5171.6123.200111.1
170K52.2Low49.4Very low188 Ų188146 Ų14682%0.81779%0.789SS**  trans-170.9150.6133.5-104.7155.3-153.994.70116.8
171D48.2Very low49.2Very low123 Ų123142.1 Ų142.166%0.65879%0.789SS**  trans-65156.8-173.1-68.1-92.1000118.5
172Q47.1Very low48.8Very low170 Ų170146.2 Ų146.279%0.79480%0.803SS**  23.8128.7127.2-48.3169.880.300118.8
173E50.5Low48.6Very low194 Ų194151.7 Ų151.791%0.90782%0.818SS**  -163.8161.598.4-106.3-176.7168.600111.4
174D43.9Very low48.5Very low171 Ų171149.5 Ų149.591%0.91481%0.814SS**  trans-77.1148.2-177.4-64.5-82.5000113.1
175G44.1Very low48.4Very low79 Ų79152.3 Ų152.381%0.81482%0.818SS**  trans-161.4102.2179.800000113.9
176E47.1Very low48.5Very low197 Ų197157.5 Ų157.592%0.92182%0.823SS**  trans-74.2163.4171.9-74.3-173.377.100113.2
177N38.7Very low48.6Very low149 Ų149157.1 Ų157.180%0.79782%0.819SS**  trans103.2128.4153.2-155.917.1000119.8
178S45.6Very low49.1Very low89 Ų89158 Ų15862%0.62282%0.819SS**  trans38.297.2156.965.60000121.3
179T47.8Very low49.5Very low152 Ų152159.1 Ų159.193%0.93382%0.82SS**  trans-128.969.7138.938.60000111.4
180K46.5Very low50Low204 Ų204161.1 Ų161.189%0.88783%0.826SS**  trans-69141.6170.4-173.6175.7-179.8177.30109.8
181A42.5Very low50.7Low91 Ų91163 Ų16375%0.75283%0.828SS**  trans70.489.3169.400000118.6
182N43.6Very low51.7Low145 Ų145161.5 Ų161.578%0.77582%0.817SS**  -14969.9118.5-157-20.2000112.1S184N182-S184 PolarHBondContact O-N 2.75Å
183R53Low53.3Low254 Ų254157 Ų15796%0.95880%0.802SS**  trans-7971.5173.5-154.8-178.8-157.3-156.57.6109.3K185R183-K185 PolarHBondContact O-N 3.46Å
184S53.6Low55.1Low93 Ų93153 Ų15365%0.6578%0.779SS**  trans-54.3132.6-170.7550000111.8N182 K186N182-S184 PolarHBondContact O-N 2.75Å; S184-K186 VanDerWaalsContact C-N 3.29Å; S184-K186 PolarHBondContact O-N 2.93Å
185K56.6Low57.2Low212 Ų212145.8 Ų145.892%0.92274%0.741SS**  trans-71.877.8-165.8-167.8173.8-176.21760110.7R183 K187R183-K185 PolarHBondContact O-N 3.46Å; K185-K187 PolarHBondContact O-N 2.86Å
186K55.9Low59.5Low203 Ų203144.6 Ų144.688%0.88372%0.724SS**  trans-56.8103.9-176.3-167.9171.7-174.8175.80109.5S184 A188S184-K186 VanDerWaalsContact C-N 3.29Å; S184-K186 PolarHBondContact O-N 2.93Å; K186-A188 PolarHBondContact O-N 2.93Å
187K53.7Low61.5Low195 Ų195137.5 Ų137.585%0.84869%0.69SS**  trans-41.7118.3-176.2-178.1179.2-179.5179.80110K185 E189K185-K187 PolarHBondContact O-N 2.86Å; K187-E189 PolarHBondContact O-N 2.95Å
188A57.5Low64.1Low93 Ų93135.3 Ų135.377%0.76968%0.677SS**  trans-59.6111.3-179.600000109.2K186 K190K186-A188 PolarHBondContact O-N 2.93Å; A188-K190 PolarHBondContact O-N 2.75Å
189E59.8Low66.4Low179 Ų179131.9 Ų131.984%0.83665%0.652SS**  trans-67.1116.4173.1-171.4177.9160.700107.4K187 R191K187-E189 PolarHBondContact O-N 2.95Å; E189-R191 PolarHBondContact O-N 3.23Å
190K61.7Low68.5Low203 Ų203128.2 Ų128.288%0.88362%0.624SS**  trans-59.9102.8179.1-72.4-167.7174.5-166.40108.2A188 Q192A188-K190 PolarHBondContact O-N 2.75Å; K190-Q192 PolarHBondContact O-N 2.82Å
191R68.1Low70.7Confident227 Ų227119.6 Ų119.686%0.85759%0.589SS**PPolyproline II helixtrans-59.2137.4177-70.1179.2170.4179.7-2.3108.5E189E189-R191 PolarHBondContact O-N 3.23Å
192Q69.1Low73Confident92 Ų92124.2 Ų124.243%0.4360%0.595SS.*PPolyproline II helixtrans-62.8146.3176.8-63.7-170.7-60.700109.5K190 R194 E258K190-Q192 PolarHBondContact O-N 2.82Å; Q192-R194 PolarHBondContact O-N 3.36Å; Q192-E258 HydrophobicContact CB-CG 3.81Å
193P80.2Confident75.3Confident76 Ų76121.4 Ų121.449%0.49458%0.583SS.*PPolyproline II helixtrans-57.4137.5173.225.7-34.5000109.3M82 G259M82-P193 HydrophobicContact CE-CB 3.85Å; M82-P193 HydrophobicContact CE-CG 3.8Å; P193-G259 PolarHBondContact O-N 3.49Å
194R87.2Confident77Confident109 Ų109111.6 Ų111.641%0.41155%0.55SS..EExtended strand (participates in β ladder)trans-138.6128.1-175.1-80.8175.748.7-134.6-22.4109Q192 T256 Y257 E258Q192-R194 PolarHBondContact O-N 3.36Å; R194-T256 HydrophobicContact CB-CG2 4.47Å; R194-Y257 VanDerWaalsContact CA-O 3.26Å; R194-Y257 WeakPolarHBondContact CA-O 3.27Å; R194-E258 HydrophobicContact CG-CB 3.74Å; R194-E258 HydrophobicContact CG-CG 3.67Å
195V89Confident78.7Confident20 Ų20111.5 Ų111.512%0.12154%0.539CS..EExtended strand (participates in β ladder)trans-120142.2175.5-157.70000108V111 F197 T256 Y257V111-V195 HydrophobicContact CG1-CG1 4.43Å; V195-F197 HydrophobicContact CB-CE2 3.98Å; V195-F197 HydrophobicContact CB-CZ 3.98Å; V195-F197 HydrophobicContact CG1-CE1 4.08Å; V195-F197 HydrophobicContact CG1-CE2 3.79Å; V195-F197 HydrophobicContact CG1-CZ 3.33Å; V195-T256 CarbonylContact O-C 3.58Å; V195-T256 WeakPolarHBondContact O-CA 3.45Å; V195-Y257 PolarHBondContact N-O 3.4Å; V195-Y257 PolarHBondContact O-N 2.86Å
196A92.2Very high80.1Confident54 Ų54104 Ų10445%0.44651%0.509SS..EExtended strand (participates in β ladder)trans-131.2142.5-178.500000110.6T255 T256A196-T255 WeakPolarHBondContact CA-O 3.45Å; A196-T256 HydrophobicContact CB-CG2 4.24Å
197F89.6Confident81.7Confident48 Ų48102 Ų10221%0.21150%0.503CS..EExtended strand (participates in β ladder)trans-128.5139.4-178.7-53.3-84.2000109L78 V195 V254 T255 Y257L78-F197 HydrophobicContact CD1-CD2 4.35Å; L78-F197 HydrophobicContact CD1-CE2 3.35Å; L78-F197 HydrophobicContact CD1-CZ 3.48Å; L78-F197 VanDerWaalsContact CD1-CZ 3.48Å; L78-F197 HydrophobicContact CD2-CE1 3.7Å; L78-F197 HydrophobicContact CD2-CE2 4.03Å; L78-F197 HydrophobicContact CD2-CZ 3.26Å; L78-F197 HydrophobicContact CG-CE2 4.32Å; L78-F197 HydrophobicContact CG-CZ 3.99Å; V195-F197 HydrophobicContact CB-CE2 3.98Å; V195-F197 HydrophobicContact CB-CZ 3.98Å; V195-F197 HydrophobicContact CG1-CE1 4.08Å; V195-F197 HydrophobicContact CG1-CE2 3.79Å; V195-F197 HydrophobicContact CG1-CZ 3.33Å; F197-V254 WeakPolarHBondContact O-CA 3.34Å; F197-T255 PolarHBondContact N-O 3.41Å; F197-T255 PolarHBondContact O-N 3.36Å; F197-Y257 HydrophobicContact CD2-CD2 4Å; F197-Y257 AromaticContact CD2-CE2 3.93Å; F197-Y257 HydrophobicContact CD2-CE2 3.93Å; F197-Y257 AromaticContact CE2-CD2 3.86Å; F197-Y257 HydrophobicContact CE2-CD2 3.86Å; F197-Y257 HydrophobicContact CE2-CE2 4.1Å
198L93.3Very high83.4Confident103 Ų10392.8 Ų92.854%0.53946%0.462SS..EExtended strand (participates in β ladder)trans-96.4133.9165.6-84.859.8000106.9T252 V254L198-T252 HydrophobicContact CB-CG2 3.99Å; L198-T252 HydrophobicContact CD2-CG2 4.13Å; L198-T252 HydrophobicContact CG-CG2 3.83Å; L198-V254 HydrophobicContact CD1-CG1 4.3Å; L198-V254 HydrophobicContact CD1-CG2 4.04Å; L198-V254 HydrophobicContact CG-CG2 4.16Å
199T92.5Very high85Confident16 Ų1688.8 Ų88.810%0.09843%0.43CS..EExtended strand (participates in β ladder)trans-137.1121.3179.2-550000109.3M41 S201 L206 V253M41-T199 HydrophobicContact CE-CG2 3.89Å; T199-S201 PolarHBondContact O-N 3.31Å; T199-L206 HydrophobicContact CG2-CD1 3.83Å; T199-L206 HydrophobicContact CG2-CD2 4.41Å; T199-V253 PolarHBondContact N-O 3.48Å; T199-V253 PolarHBondContact O-N 3.44Å
200K93.8Very high86.6Confident75 Ų7580.8 Ų80.833%0.32639%0.392SS..EExtended strand (participates in β ladder)trans-63.4115.2165.3-71.9173171.71740108.3S38 N39 S251S38-K200 VanDerWaalsContact O-CE 3.24Å; S38-K200 WeakPolarHBondContact O-CE 3.35Å; S38-K200 PolarHBondContact O-NZ 3.06Å; N39-K200 PolarHBondContact OD1-NZ 3.11Å; K200-S251 CarbonylContact C-O 3.52Å; K200-S251 WeakPolarHBondContact CA-O 3.38Å
201S90.7Very high88.2Confident24 Ų2479 Ų7917%0.16838%0.38CS..  trans-165.1131.1-176.9177.60000110.9T199 V203 R245 S251T199-S201 PolarHBondContact O-N 3.31Å; S201-V203 PolarHBondContact O-N 3.34Å; S201-V203 WeakPolarHBondContact OG-CA 3.46Å; S201-V203 PolarHBondContact OG-N 3.37Å; S201-V203 PolarHBondContact OG-O 3.27Å; S201-R245 PolarHBondContact O-NH1 2.83Å; S201-R245 PolarHBondContact O-NH2 2.81Å; S201-S251 PolarHBondContact N-O 3.49Å
202E92.2Very high89.5Confident187 Ų18770.4 Ų70.487%0.87435%0.348SS*.SBendtrans-65.4-22.5166.4-168175.2-171.100111.5R245E202-R245 VanDerWaalsContact C-NH2 3.34Å; E202-R245 PolarHBondContact O-NH2 2.74Å
203V91.1Very high90.9Very high86 Ų8672.3 Ų72.352%0.52135%0.351SS..  trans-101.6120.7-175.5-1770000111.6S201 H205S201-V203 PolarHBondContact O-N 3.34Å; S201-V203 WeakPolarHBondContact OG-CA 3.46Å; S201-V203 PolarHBondContact OG-N 3.37Å; S201-V203 PolarHBondContact OG-O 3.27Å; V203-H205 PolarHBondContact O-N 3.32Å
204D90.2Very high91.7Very high48 Ų4873 Ų7326%0.25735%0.346SS..SBendtrans-59.8-31.9175.1-75.3-10.3000112.9V243 R245D204-V243 HydrophobicContact CB-CG1 4.05Å; D204-V243 WeakPolarHBondContact O-CG1 3.46Å; D204-R245 IonicContact OD1-CZ 3.16Å; D204-R245 IonicContact OD1-NE 2.8Å; D204-R245 PolarHBondContact OD1-NE 2.63Å; D204-R245 IonicContact OD1-NH2 3.56Å; D204-R245 PolarHBondContact OD1-NH2 3.2Å
205H88.3Confident92.2Very high92 Ų9273.3 Ų73.343%0.42635%0.348SS..  trans-110.478.8-164.4-56.3103.6000111.1V203 Y230V203-H205 PolarHBondContact O-N 3.32Å; H205-Y230 AromaticContact CD2-CE2 3.97Å; H205-Y230 AromaticContact CD2-CZ 3.72Å; H205-Y230 PolarHBondContact CD2-OH 2.72Å; H205-Y230 AromaticContact NE2-CZ 3.66Å; H205-Y230 PolarHBondContact NE2-OH 2.86Å
206L86.8Confident92.7Very high54 Ų5473.8 Ų73.828%0.28336%0.357SS..  trans-63.3132.7173.1-53.4176.8000110.8T199 D208 K241T199-L206 HydrophobicContact CG2-CD1 3.83Å; T199-L206 HydrophobicContact CG2-CD2 4.41Å; L206-D208 PolarHBondContact O-N 3.33Å; L206-K241 PolarHBondContact O-NZ 3.3Å
207E88.3Confident92.9Very high162 Ų16276.3 Ų76.376%0.75736%0.359SS*.  trans-78105.9170.6-179.853.3-111.900108.5G209E207-G209 VanDerWaalsContact OE1-CA 3.27Å; E207-G209 WeakPolarHBondContact OE1-CA 3.48Å; E207-G209 PolarHBondContact OE1-N 3.01Å
208D88.8Confident93.4Very high1 Ų180.1 Ų80.11%0.00538%0.376CS..  trans-102.47.3-175.661.413.8000112.2S73 V74 T75 L206 Y210 W212 K241 Y257S73-D208 PolarHBondContact OG-O 2.78Å; V74-D208 HydrophobicContact CG1-CB 4.14Å; T75-D208 WeakPolarHBondContact OG1-CB 3.31Å; T75-D208 PolarHBondContact OG1-O 2.86Å; L206-D208 PolarHBondContact O-N 3.33Å; D208-Y210 PolarHBondContact O-N 3.33Å; D208-Y210 WeakPolarHBondContact OD1-CA 3.4Å; D208-Y210 WeakPolarHBondContact OD1-CB 3.26Å; D208-Y210 PolarHBondContact OD1-N 3.12Å; D208-W212 VanDerWaalsContact CG-NE1 3.25Å; D208-W212 PolarHBondContact OD1-NE1 2.8Å; D208-W212 PolarHBondContact OD2-NE1 2.87Å; D208-K241 IonicContact OD2-NZ 2.7Å; D208-K241 PolarHBondContact OD2-NZ 2.74Å; D208-Y257 PolarHBondContact OD2-OH 3.32Å; D208-Y257 VanDerWaalsContact OD2-OH 3.12Å
209G91.6Very high93.6Very high9 Ų979.8 Ų79.89%0.09339%0.388CS..SBendtrans82.1-6.5-175.200000113.9E207 S265 P266E207-G209 VanDerWaalsContact OE1-CA 3.27Å; E207-G209 WeakPolarHBondContact OE1-CA 3.48Å; E207-G209 PolarHBondContact OE1-N 3.01Å; G209-S265 PolarHBondContact O-OG 3.23Å; G209-P266 WeakPolarHBondContact O-CD 3.41Å; G209-P266 WeakPolarHBondContact O-CG 3.5Å
210Y94.2Very high93.8Very high10 Ų1080.3 Ų80.34%0.03939%0.391CS..SBendtrans-103.3136.3-177.7-76.6-101.5000111.5T75 D208 W212 H261 H263 S265T75-Y210 HydrophobicContact CG2-CD2 3.66Å; T75-Y210 HydrophobicContact CG2-CE2 3.35Å; D208-Y210 PolarHBondContact O-N 3.33Å; D208-Y210 WeakPolarHBondContact OD1-CA 3.4Å; D208-Y210 WeakPolarHBondContact OD1-CB 3.26Å; D208-Y210 PolarHBondContact OD1-N 3.12Å; Y210-W212 PolarHBondContact O-N 2.87Å; Y210-W212 PolarHBondContact O-NE1 2.87Å; Y210-W212 VanDerWaalsContact O-NE1 3.13Å; Y210-H261 AromaticContact CD1-CD2 3.93Å; Y210-H261 AromaticContact CD1-CE1 3.27Å; Y210-H261 WeakPolarHBondContact CD1-CE1 3.49Å; Y210-H261 AromaticContact CD1-CG 3.74Å; Y210-H261 AromaticContact CD1-ND1 3.31Å; Y210-H261 VanDerWaalsContact CD1-ND1 3.31Å; Y210-H261 WeakPolarHBondContact CD1-ND1 3.4Å; Y210-H261 AromaticContact CD1-NE2 3.68Å; Y210-H261 HydrophobicContact CE1-CB 3.73Å; Y210-H261 AromaticContact CE1-CD2 3.75Å; Y210-H261 AromaticContact CE1-CE1 3.72Å; Y210-H261 AromaticContact CE1-CG 3.31Å; Y210-H261 AromaticContact CE1-ND1 3.29Å; Y210-H261 VanDerWaalsContact CE1-ND1 3.29Å; Y210-H261 WeakPolarHBondContact CE1-ND1 3.32Å; Y210-H261 AromaticContact CG-CE1 3.98Å; Y210-H261 AromaticContact CZ-CG 3.96Å; Y210-H263 AromaticContact CD1-CE1 3.49Å; Y210-H263 VanDerWaalsContact CD1-CE1 3.49Å; Y210-H263 WeakPolarHBondContact CD1-CE1 3.26Å; Y210-H263 AromaticContact CE1-CE1 3.39Å; Y210-H263 WeakPolarHBondContact CE1-CE1 3.44Å; Y210-H263 AromaticContact CE1-ND1 3.93Å; Y210-H263 PolarHBondContact OH-O 2.89Å; Y210-S265 PolarHBondContact OH-N 2.98Å
211R94.9Very high93.9Very high165 Ų16585.6 Ų85.662%0.62341%0.414SS*.  trans-82112.5-179.9-70.917571.8-163.57.1110T233 P266R211-T233 WeakPolarHBondContact CB-OG1 3.47Å; R211-T233 WeakPolarHBondContact O-CB 3.5Å; R211-T233 VanDerWaalsContact O-CG2 3.24Å; R211-T233 WeakPolarHBondContact O-CG2 3.22Å; R211-T233 PolarHBondContact O-N 3.18Å; R211-T233 PolarHBondContact O-OG1 3Å; R211-P266 HydrophobicContact CB-CG 4.32Å; R211-P266 HydrophobicContact CG-CB 4.44Å; R211-P266 HydrophobicContact CG-CG 3.72Å
212W96.4Very high94Very high47 Ų4790 Ų9018%0.17844%0.436CS..EExtended strand (participates in β ladder)trans-100.1153179.8-59.497.4000113D208 Y210 Y230 R231 C232 T233 V239 K241 Y257 H261D208-W212 VanDerWaalsContact CG-NE1 3.25Å; D208-W212 PolarHBondContact OD1-NE1 2.8Å; D208-W212 PolarHBondContact OD2-NE1 2.87Å; Y210-W212 PolarHBondContact O-N 2.87Å; Y210-W212 PolarHBondContact O-NE1 2.87Å; Y210-W212 VanDerWaalsContact O-NE1 3.13Å; W212-Y230 HydrophobicContact CB-CD1 4.15Å; W212-Y230 HydrophobicContact CB-CG 4.47Å; W212-R231 VanDerWaalsContact CE3-C 3.5Å; W212-C232 HydrophobicContact CZ3-CB 4.15Å; W212-T233 VanDerWaalsContact C-CG2 3.49Å; W212-V239 HydrophobicContact CH2-CB 4.44Å; W212-V239 HydrophobicContact CH2-CG1 3.86Å; W212-V239 HydrophobicContact CZ3-CG1 4.3Å; W212-K241 HydrophobicContact CD2-CB 4.18Å; W212-K241 HydrophobicContact CD2-CD 4.36Å; W212-K241 HydrophobicContact CE3-CB 3.78Å; W212-K241 HydrophobicContact CH2-CB 3.8Å; W212-K241 HydrophobicContact CZ2-CB 4.16Å; W212-K241 HydrophobicContact CZ2-CD 4.08Å; W212-K241 HydrophobicContact CZ3-CB 3.58Å; W212-Y257 HydrophobicContact CH2-CD1 4.14Å; W212-Y257 HydrophobicContact CH2-CE1 4.26Å; W212-Y257 HydrophobicContact CZ2-CD1 4.19Å; W212-Y257 AromaticContact CZ2-CE1 3.84Å; W212-Y257 HydrophobicContact CZ2-CE1 3.84Å; W212-H261 AromaticContact CH2-CE1 3.79Å; W212-H261 AromaticContact CH2-NE2 3.55Å; W212-H261 AromaticContact CZ2-NE2 3.84Å
213R97Very high94.1Very high133 Ų13382.2 Ų82.250%0.50240%0.402SS..EExtended strand (participates in β ladder)trans-125.3126162.7-87.7169.1-165.1127.80.5109.6R231 T233R213-R231 HydrophobicContact CB-CG 4.48Å; R213-R231 PolarHBondContact N-O 3.42Å; R213-R231 PolarHBondContact O-N 2.99Å; R213-R231 PolarHBondContact O-NH1 3.24Å; R213-T233 HydrophobicContact CB-CG2 3.84Å; R213-T233 HydrophobicContact CG-CG2 3.42Å; R213-T233 VanDerWaalsContact CG-CG2 3.42Å
214K98.1Very high94.3Very high91 Ų9182.6 Ų82.640%0.39641%0.406SS..EExtended strand (participates in β ladder)trans-57.6140.2169.8-155161.9-179.4159.80109S228 Y229 Y230 R231K214-S228 WeakPolarHBondContact CE-OG 3.35Å; K214-S228 PolarHBondContact NZ-OG 2.88Å; K214-Y229 WeakPolarHBondContact CA-O 3.43Å; K214-Y230 HydrophobicContact CB-CD1 3.94Å; K214-Y230 HydrophobicContact CB-CE1 3.57Å; K214-Y230 HydrophobicContact CD-CE1 3.95Å; K214-Y230 HydrophobicContact CG-CD1 4.26Å; K214-Y230 HydrophobicContact CG-CE1 3.7Å; K214-R231 PolarHBondContact O-NH1 3.33Å
215Y97.9Very high94.6Very high115 Ų11584 Ų8445%0.45141%0.408SS..EExtended strand (participates in β ladder)trans-129.4-9.6173.474.4-96.7000113Y229 Y230 R231Y215-Y229 WeakPolarHBondContact CD1-O 3.46Å; Y215-Y229 PolarHBondContact N-O 3.14Å; Y215-Y230 WeakPolarHBondContact CE1-O 3.38Å; Y215-R231 HydrophobicContact CD1-CB 4.06Å; Y215-R231 HydrophobicContact CD1-CG 4.45Å; Y215-R231 HydrophobicContact CE1-CB 4.44Å
216G98.1Very high95Very high29 Ų2981.9 Ų81.930%0.29940%0.403SS..EExtended strand (participates in β ladder)trans-172.9170.6174.700000112.5Y229G216-Y229 PolarHBondContact N-O 3.21Å; G216-Y229 PolarHBondContact O-N 2.93Å
217Q98.3Very high95.5Very high107 Ų10782.5 Ų82.550%0.540%0.401SS..EExtended strand (participates in β ladder)trans-145.4143.3172.2-176.8168.8-57.100106.9P226 R227Q217-P226 HydrophobicContact CG-CB 3.74Å; Q217-P226 HydrophobicContact CG-CG 4.31Å; Q217-R227 CarbonylContact C-O 3.55Å; Q217-R227 WeakPolarHBondContact CA-O 3.15Å
218K98.4Very high96Very high129 Ų12975 Ų7556%0.56137%0.367SS*.EExtended strand (participates in β ladder)trans-129.5136.6174.6-64.1-169177.7-167.90109.5P226 R227 Y229K218-P226 CarbonylContact O-C 3.58Å; K218-P226 WeakPolarHBondContact O-CA 3.38Å; K218-R227 PolarHBondContact N-O 3.07Å; K218-R227 PolarHBondContact O-N 3.03Å; K218-Y229 HydrophobicContact CB-CE2 4.11Å; K218-Y229 HydrophobicContact CD-CE2 3.99Å; K218-Y229 HydrophobicContact CG-CD2 4.48Å; K218-Y229 HydrophobicContact CG-CE2 3.8Å
219A97.8Very high96.4Very high95 Ų9576.6 Ų76.679%0.78537%0.373SS*.PPolyproline II helixtrans-59.6139.2162.900000109
220V96.3Very high96.7Very high28 Ų2877.3 Ų77.317%0.1737%0.373CS..PPolyproline II helixtrans-98.5130.8176.6174.30000107.5N222 S223 R227 E244V220-N222 PolarHBondContact O-N 2.95Å; V220-S223 PolarHBondContact O-N 2.86Å; V220-R227 HydrophobicContact CG2-CB 3.58Å; V220-E244 WeakPolarHBondContact CG1-OE1 3.47Å; V220-E244 WeakPolarHBondContact CG2-OE1 3.12Å
221K95.9Very high96.9Very high185 Ų18582.2 Ų82.280%0.80439%0.391SS*.THydrogen-bonded Turntrans-63134.7176.5-162.5-154.7170.9-168.90108.2S223K221-S223 VanDerWaalsContact C-N 3.27Å; K221-S223 PolarHBondContact O-N 3.27Å
222N93.7Very high97Very high118 Ų11874.9 Ų74.963%0.63137%0.365SS*.THydrogen-bonded Turntrans6614.5-178.9-60.387.6000115.9V220 Y247V220-N222 PolarHBondContact O-N 2.95Å; N222-Y247 WeakPolarHBondContact O-CD1 3.41Å; N222-Y247 WeakPolarHBondContact O-CD2 3.34Å; N222-Y247 WeakPolarHBondContact O-CE1 3.44Å
223S94.5Very high97Very high23 Ų2374.1 Ų74.116%0.16137%0.366CS..  trans-131.6142173.1179.90000111.6V220 K221 Y225V220-S223 PolarHBondContact O-N 2.86Å; K221-S223 VanDerWaalsContact C-N 3.27Å; K221-S223 PolarHBondContact O-N 3.27Å; S223-Y225 PolarHBondContact OG-N 2.89Å; S223-Y225 VanDerWaalsContact OG-N 3.12Å
224P95.9Very high96.9Very high93 Ų9369 Ų6960%0.60435%0.352SS*.SBendtrans-73.6-17.317032.8-34.7000112
225Y95.6Very high96.8Very high77 Ų7770.2 Ų70.230%0.30237%0.369SS..SBendtrans-89.5124.9-175.1-51.9-61.8000111.5S223 R245 S246 P250S223-Y225 PolarHBondContact OG-N 2.89Å; S223-Y225 VanDerWaalsContact OG-N 3.12Å; Y225-R245 HydrophobicContact CD1-CB 4.47Å; Y225-R245 HydrophobicContact CD2-CB 4.07Å; Y225-R245 HydrophobicContact CD2-CG 4Å; Y225-R245 HydrophobicContact CE2-CG 4.29Å; Y225-R245 HydrophobicContact CG-CB 3.89Å; Y225-R245 HydrophobicContact CG-CG 4.14Å; Y225-S246 WeakPolarHBondContact CD2-O 3.46Å; Y225-S246 WeakPolarHBondContact CE2-O 3.48Å; Y225-P250 HydrophobicContact CE2-CB 4.26Å; Y225-P250 HydrophobicContact CE2-CG 4.22Å; Y225-P250 WeakPolarHBondContact OH-CB 3.27Å
226P97.1Very high96.6Very high48 Ų4875 Ų7531%0.31239%0.392SS..PPolyproline II helixtrans-86.2130.4-177.633.4-34.1000112.2Q217 K218 S228Q217-P226 HydrophobicContact CG-CB 3.74Å; Q217-P226 HydrophobicContact CG-CG 4.31Å; K218-P226 CarbonylContact O-C 3.58Å; K218-P226 WeakPolarHBondContact O-CA 3.38Å; P226-S228 PolarHBondContact O-N 2.72Å
227R97.4Very high96.5Very high68 Ų6874.5 Ų74.526%0.25738%0.384SS..EExtended strand (participates in β ladder)trans-67.9119.4175.2-178.3-173.8-66.4136.10.2110.3Q217 K218 V220 Y229 V243 E244Q217-R227 CarbonylContact C-O 3.55Å; Q217-R227 WeakPolarHBondContact CA-O 3.15Å; K218-R227 PolarHBondContact N-O 3.07Å; K218-R227 PolarHBondContact O-N 3.03Å; V220-R227 HydrophobicContact CG2-CB 3.58Å; R227-Y229 HydrophobicContact CB-CE2 4.3Å; R227-Y229 VanDerWaalsContact CD-OH 3.26Å; R227-Y229 WeakPolarHBondContact CD-OH 3.45Å; R227-Y229 HydrophobicContact CG-CD2 4.36Å; R227-Y229 HydrophobicContact CG-CE2 3.76Å; R227-V243 CarbonylContact C-O 3.57Å; R227-V243 WeakPolarHBondContact CA-O 3.44Å; R227-E244 HydrophobicContact CB-CB 4.43Å; R227-E244 HydrophobicContact CG-CB 4.21Å; R227-E244 IonicContact CZ-OE1 2.86Å; R227-E244 IonicContact CZ-OE2 3.41Å; R227-E244 VanDerWaalsContact NE-CD 3.28Å; R227-E244 IonicContact NE-OE1 2.63Å; R227-E244 PolarHBondContact NE-OE1 3.35Å; R227-E244 IonicContact NE-OE2 3.22Å; R227-E244 PolarHBondContact NE-OE2 2.75Å; R227-E244 IonicContact NH2-OE1 2.72Å; R227-E244 PolarHBondContact NH2-OE1 3.33Å; R227-E244 IonicContact NH2-OE2 2.72Å; R227-E244 PolarHBondContact NH2-OE2 3.12Å
228S98Very high96.3Very high4 Ų471.9 Ų71.93%0.02839%0.385CS..EExtended strand (participates in β ladder)trans-96.5143.2179-71.20000111.8K214 P226 Y230 R242 V243K214-S228 WeakPolarHBondContact CE-OG 3.35Å; K214-S228 PolarHBondContact NZ-OG 2.88Å; P226-S228 PolarHBondContact O-N 2.72Å; S228-Y230 VanDerWaalsContact CB-CE2 3.5Å; S228-R242 WeakPolarHBondContact O-CA 3.22Å; S228-V243 PolarHBondContact N-O 3.15Å; S228-V243 PolarHBondContact O-N 3.47Å
229Y98.1Very high96.2Very high34 Ų3465.8 Ų65.813%0.13336%0.359CS..EExtended strand (participates in β ladder)trans-123.7127.3-175.1-70.6-99.2000111.7K214 Y215 G216 K218 R227 R242K214-Y229 WeakPolarHBondContact CA-O 3.43Å; Y215-Y229 WeakPolarHBondContact CD1-O 3.46Å; Y215-Y229 PolarHBondContact N-O 3.14Å; G216-Y229 PolarHBondContact N-O 3.21Å; G216-Y229 PolarHBondContact O-N 2.93Å; K218-Y229 HydrophobicContact CB-CE2 4.11Å; K218-Y229 HydrophobicContact CD-CE2 3.99Å; K218-Y229 HydrophobicContact CG-CD2 4.48Å; K218-Y229 HydrophobicContact CG-CE2 3.8Å; R227-Y229 HydrophobicContact CB-CE2 4.3Å; R227-Y229 VanDerWaalsContact CD-OH 3.26Å; R227-Y229 WeakPolarHBondContact CD-OH 3.45Å; R227-Y229 HydrophobicContact CG-CD2 4.36Å; R227-Y229 HydrophobicContact CG-CE2 3.76Å; Y229-R242 HydrophobicContact CD1-CG 4.04Å; Y229-R242 HydrophobicContact CE1-CG 4.16Å
230Y98.1Very high96.2Very high25 Ų2564 Ų6410%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-127.6145.4-170.9-64.8-78.2000111.6H205 W212 K214 Y215 S228 K240 K241 V243H205-Y230 AromaticContact CD2-CE2 3.97Å; H205-Y230 AromaticContact CD2-CZ 3.72Å; H205-Y230 PolarHBondContact CD2-OH 2.72Å; H205-Y230 AromaticContact NE2-CZ 3.66Å; H205-Y230 PolarHBondContact NE2-OH 2.86Å; W212-Y230 HydrophobicContact CB-CD1 4.15Å; W212-Y230 HydrophobicContact CB-CG 4.47Å; K214-Y230 HydrophobicContact CB-CD1 3.94Å; K214-Y230 HydrophobicContact CB-CE1 3.57Å; K214-Y230 HydrophobicContact CD-CE1 3.95Å; K214-Y230 HydrophobicContact CG-CD1 4.26Å; K214-Y230 HydrophobicContact CG-CE1 3.7Å; Y215-Y230 WeakPolarHBondContact CE1-O 3.38Å; S228-Y230 VanDerWaalsContact CB-CE2 3.5Å; Y230-K240 CarbonylContact O-C 3.57Å; Y230-K240 WeakPolarHBondContact O-CA 3.39Å; Y230-K241 WeakPolarHBondContact CA-O 3.45Å; Y230-K241 WeakPolarHBondContact CB-O 3.38Å; Y230-K241 PolarHBondContact N-O 3.02Å; Y230-K241 PolarHBondContact O-N 2.96Å; Y230-V243 HydrophobicContact CD2-CG2 4.06Å; Y230-V243 HydrophobicContact CE2-CB 4.25Å; Y230-V243 HydrophobicContact CE2-CG2 3.96Å
231R97.3Very high96.1Very high113 Ų11363 Ų6343%0.42633%0.327SS..EExtended strand (participates in β ladder)trans-121.2148.4170.270.7-166.6-176.1-74.514109.6W212 R213 K214 Y215W212-R231 VanDerWaalsContact CE3-C 3.5Å; R213-R231 HydrophobicContact CB-CG 4.48Å; R213-R231 PolarHBondContact N-O 3.42Å; R213-R231 PolarHBondContact O-N 2.99Å; R213-R231 PolarHBondContact O-NH1 3.24Å; K214-R231 PolarHBondContact O-NH1 3.33Å; Y215-R231 HydrophobicContact CD1-CB 4.06Å; Y215-R231 HydrophobicContact CD1-CG 4.45Å; Y215-R231 HydrophobicContact CE1-CB 4.44Å
232C96.6Very high96.2Very high11 Ų1157.4 Ų57.47%0.07430%0.301CS..EExtended strand (participates in β ladder)trans-61.1152.5172.5-166.90000110.6W212 C237 V239 H263W212-C232 HydrophobicContact CZ3-CB 4.15Å; C232-C237 HydrophobicContact CB-CB 4.13Å; C232-C237 VanDerWaalsContact CB-SG 3.6Å; C232-V239 HydrophobicContact CB-CB 4.43Å; C232-V239 PolarHBondContact N-O 3.36Å; C232-H263 PolarHBondContact SG-NE2 2.68Å; C232-H263 VanDerWaalsContact SG-NE2 3.38Å
233T96.3Very high96.3Very high31 Ų3152 Ų5219%0.1927%0.272CS..  trans-99.7-10.8-179.158.40000114.7R211 W212 R213R211-T233 WeakPolarHBondContact CB-OG1 3.47Å; R211-T233 WeakPolarHBondContact O-CB 3.5Å; R211-T233 VanDerWaalsContact O-CG2 3.24Å; R211-T233 WeakPolarHBondContact O-CG2 3.22Å; R211-T233 PolarHBondContact O-N 3.18Å; R211-T233 PolarHBondContact O-OG1 3Å; W212-T233 VanDerWaalsContact C-CG2 3.49Å; R213-T233 HydrophobicContact CB-CG2 3.84Å; R213-T233 HydrophobicContact CG-CG2 3.42Å; R213-T233 VanDerWaalsContact CG-CG2 3.42Å
234A95.5Very high96.4Very high25 Ų2552.8 Ų52.821%0.20727%0.273CS..SBendtrans-67.4145.2179.500000111.3K236 C237 H263A234-K236 PolarHBondContact O-N 2.97Å; A234-C237 HydrophobicContact CB-CB 3.93Å; A234-C237 WeakPolarHBondContact O-CB 3.46Å; A234-C237 PolarHBondContact O-N 3.21Å; A234-H263 VanDerWaalsContact CB-NE2 3.34Å; A234-H263 WeakPolarHBondContact CB-NE2 3.36Å
235P95.4Very high96.4Very high117 Ų11749.6 Ų49.676%0.7625%0.249SC*.THydrogen-bonded Turntrans-60.6139.2178.526.9-34.7000110.8C237P235-C237 PolarHBondContact O-N 3.21Å
236K94.3Very high96.4Very high215 Ų21547.1 Ų47.194%0.93524%0.243SC*.THydrogen-bonded Turntrans62.2-2.2-178.6-52.3178-178.5177.10116.3A234A234-K236 PolarHBondContact O-N 2.97Å
237C95.5Very high96.2Very high19 Ų1951.2 Ų51.213%0.12825%0.253CS..  trans-75.2125.5-179.9-173.40000111.9C232 A234 P235 H261 H263C232-C237 HydrophobicContact CB-CB 4.13Å; C232-C237 VanDerWaalsContact CB-SG 3.6Å; A234-C237 HydrophobicContact CB-CB 3.93Å; A234-C237 WeakPolarHBondContact O-CB 3.46Å; A234-C237 PolarHBondContact O-N 3.21Å; P235-C237 PolarHBondContact O-N 3.21Å; C237-H261 PolarHBondContact SG-ND1 2.96Å; C237-H263 PolarHBondContact SG-NE2 3.03Å
238G95Very high96.1Very high51 Ų5155.8 Ų55.853%0.52628%0.277SS..  trans-90.1-6.3-176.600000115.8
239V95.9Very high95.8Very high1 Ų158.2 Ų58.21%0.00629%0.29CS..  trans-67.8135.8-167.5-172.20000112.4W212 C232 E258 Q260 H261W212-V239 HydrophobicContact CH2-CB 4.44Å; W212-V239 HydrophobicContact CH2-CG1 3.86Å; W212-V239 HydrophobicContact CZ3-CG1 4.3Å; C232-V239 HydrophobicContact CB-CB 4.43Å; C232-V239 PolarHBondContact N-O 3.36Å; V239-E258 WeakPolarHBondContact CA-O 3.32Å; V239-Q260 WeakPolarHBondContact CG2-O 3.5Å; V239-H261 HydrophobicContact CG2-CB 4.46Å
240K96.8Very high95.6Very high58 Ų5859.6 Ų59.625%0.25230%0.303SS..EExtended strand (participates in β ladder)trans-115.6141.5175.1-64.3163.6-115.8139.10109.8Y230 Y257 E258Y230-K240 CarbonylContact O-C 3.57Å; Y230-K240 WeakPolarHBondContact O-CA 3.39Å; K240-Y257 CarbonylContact O-C 3.54Å; K240-Y257 WeakPolarHBondContact O-CA 3.24Å; K240-E258 HydrophobicContact CB-CB 4.33Å; K240-E258 WeakPolarHBondContact CD-OE2 3.43Å; K240-E258 PolarHBondContact N-O 3.31Å; K240-E258 VanDerWaalsContact N-O 3.07Å; K240-E258 IonicContact NZ-OE2 2.61Å; K240-E258 PolarHBondContact NZ-OE2 3.38Å; K240-E258 PolarHBondContact O-N 3.13Å
241K95.9Very high95.4Very high7 Ų760.9 Ų60.93%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-119.7138.1172.9174162.3113.1169.90109.5L206 D208 W212 Y230 V243 T255 T256 Y257L206-K241 PolarHBondContact O-NZ 3.3Å; D208-K241 IonicContact OD2-NZ 2.7Å; D208-K241 PolarHBondContact OD2-NZ 2.74Å; W212-K241 HydrophobicContact CD2-CB 4.18Å; W212-K241 HydrophobicContact CD2-CD 4.36Å; W212-K241 HydrophobicContact CE3-CB 3.78Å; W212-K241 HydrophobicContact CH2-CB 3.8Å; W212-K241 HydrophobicContact CZ2-CB 4.16Å; W212-K241 HydrophobicContact CZ2-CD 4.08Å; W212-K241 HydrophobicContact CZ3-CB 3.58Å; Y230-K241 WeakPolarHBondContact CA-O 3.45Å; Y230-K241 WeakPolarHBondContact CB-O 3.38Å; Y230-K241 PolarHBondContact N-O 3.02Å; Y230-K241 PolarHBondContact O-N 2.96Å; K241-V243 HydrophobicContact CG-CG2 4.23Å; K241-T255 HydrophobicContact CD-CG2 3.74Å; K241-T255 HydrophobicContact CG-CG2 3.86Å; K241-T256 CarbonylContact C-O 3.59Å; K241-T256 WeakPolarHBondContact CA-O 3.34Å; K241-Y257 HydrophobicContact CB-CD1 4.19Å; K241-Y257 HydrophobicContact CB-CE1 4.28Å; K241-Y257 HydrophobicContact CD-CD1 4.07Å; K241-Y257 HydrophobicContact CD-CE1 3.31Å; K241-Y257 HydrophobicContact CG-CD1 4.31Å; K241-Y257 HydrophobicContact CG-CE1 4.03Å
242R96.6Very high95.3Very high68 Ų6856.1 Ų56.126%0.25730%0.299SS..EExtended strand (participates in β ladder)trans-123.3134.2175.9-47.3-179-51.2175.613.3107.9S228 Y229 T255 T256S228-R242 WeakPolarHBondContact O-CA 3.22Å; Y229-R242 HydrophobicContact CD1-CG 4.04Å; Y229-R242 HydrophobicContact CE1-CG 4.16Å; R242-T255 CarbonylContact O-C 3.56Å; R242-T255 WeakPolarHBondContact O-CA 3.37Å; R242-T256 PolarHBondContact N-O 2.89Å; R242-T256 PolarHBondContact NE-OG1 3.13Å; R242-T256 PolarHBondContact NH2-OG1 2.87Å; R242-T256 PolarHBondContact O-N 3.43Å
243V96.9Very high95.2Very high3 Ų355.6 Ų55.62%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-124.9131.3-177.6174.70000108.6D204 R227 S228 Y230 K241 V253 T255D204-V243 HydrophobicContact CB-CG1 4.05Å; D204-V243 WeakPolarHBondContact O-CG1 3.46Å; R227-V243 CarbonylContact C-O 3.57Å; R227-V243 WeakPolarHBondContact CA-O 3.44Å; S228-V243 PolarHBondContact N-O 3.15Å; S228-V243 PolarHBondContact O-N 3.47Å; Y230-V243 HydrophobicContact CD2-CG2 4.06Å; Y230-V243 HydrophobicContact CE2-CB 4.25Å; Y230-V243 HydrophobicContact CE2-CG2 3.96Å; K241-V243 HydrophobicContact CG-CG2 4.23Å; V243-V253 HydrophobicContact CG1-CG1 3.88Å; V243-T255 HydrophobicContact CG2-CG2 4.43Å
244E96.4Very high95.2Very high41 Ų4156 Ų5619%0.19230%0.298CS..EExtended strand (participates in β ladder)trans-150.1119-177.5179.7166.3-153.600110.2V220 R227 V254V220-E244 WeakPolarHBondContact CG1-OE1 3.47Å; V220-E244 WeakPolarHBondContact CG2-OE1 3.12Å; R227-E244 HydrophobicContact CB-CB 4.43Å; R227-E244 HydrophobicContact CG-CB 4.21Å; R227-E244 IonicContact CZ-OE1 2.86Å; R227-E244 IonicContact CZ-OE2 3.41Å; R227-E244 VanDerWaalsContact NE-CD 3.28Å; R227-E244 IonicContact NE-OE1 2.63Å; R227-E244 PolarHBondContact NE-OE1 3.35Å; R227-E244 IonicContact NE-OE2 3.22Å; R227-E244 PolarHBondContact NE-OE2 2.75Å; R227-E244 IonicContact NH2-OE1 2.72Å; R227-E244 PolarHBondContact NH2-OE1 3.33Å; R227-E244 IonicContact NH2-OE2 2.72Å; R227-E244 PolarHBondContact NH2-OE2 3.12Å; E244-V254 PolarHBondContact N-O 2.92Å; E244-V254 WeakPolarHBondContact O-CA 3.27Å; E244-V254 WeakPolarHBondContact O-CB 3.31Å; E244-V254 PolarHBondContact O-N 3.17Å
245R96.2Very high95.2Very high26 Ų2654.9 Ų54.910%0.09829%0.289CS..EExtended strand (participates in β ladder)trans-75.6135.9170.9-171.4169.1-66.8-91.2-4.9109.8S201 E202 D204 Y225 P250 V253S201-R245 PolarHBondContact O-NH1 2.83Å; S201-R245 PolarHBondContact O-NH2 2.81Å; E202-R245 VanDerWaalsContact C-NH2 3.34Å; E202-R245 PolarHBondContact O-NH2 2.74Å; D204-R245 IonicContact OD1-CZ 3.16Å; D204-R245 IonicContact OD1-NE 2.8Å; D204-R245 PolarHBondContact OD1-NE 2.63Å; D204-R245 IonicContact OD1-NH2 3.56Å; D204-R245 PolarHBondContact OD1-NH2 3.2Å; Y225-R245 HydrophobicContact CD1-CB 4.47Å; Y225-R245 HydrophobicContact CD2-CB 4.07Å; Y225-R245 HydrophobicContact CD2-CG 4Å; Y225-R245 HydrophobicContact CE2-CG 4.29Å; Y225-R245 HydrophobicContact CG-CB 3.89Å; Y225-R245 HydrophobicContact CG-CG 4.14Å; R245-P250 VanDerWaalsContact CD-O 3.27Å; R245-P250 WeakPolarHBondContact CD-O 3.39Å; R245-P250 PolarHBondContact NH1-O 2.61Å; R245-V253 VanDerWaalsContact NH2-CG2 3.33Å
246S94.2Very high95.2Very high25 Ų2549.7 Ų49.718%0.17526%0.255CS..  trans-61.1147.1177.6172.80000110.6Y225 Q248 D249 T252Y225-S246 WeakPolarHBondContact CD2-O 3.46Å; Y225-S246 WeakPolarHBondContact CE2-O 3.48Å; S246-Q248 PolarHBondContact OG-N 3.17Å; S246-D249 VanDerWaalsContact CB-O 3.31Å; S246-D249 WeakPolarHBondContact CB-O 3.46Å; S246-D249 PolarHBondContact OG-N 2.86Å; S246-T252 WeakPolarHBondContact CB-O 3.49Å; S246-T252 PolarHBondContact N-O 3.29Å
247Y93.6Very high95.2Very high134 Ų13440.4 Ų40.453%0.52521%0.214SC..SBendtrans-84.7-37.2175.6172.1-122.3000111.5N222N222-Y247 WeakPolarHBondContact O-CD1 3.41Å; N222-Y247 WeakPolarHBondContact O-CD2 3.34Å; N222-Y247 WeakPolarHBondContact O-CE1 3.44Å
248Q94.5Very high95.2Very high163 Ų16341.8 Ų41.876%0.76222%0.219SC*.SBendtrans-70.7-37.3-179.8-67.576.35.100111.6S246S246-Q248 PolarHBondContact OG-N 3.17Å
249D93.6Very high95.1Very high56 Ų5640.1 Ų40.130%0.29920%0.202SC..  trans-132.799.7178168.327.2000110S246 S251 T252S246-D249 VanDerWaalsContact CB-O 3.31Å; S246-D249 WeakPolarHBondContact CB-O 3.46Å; S246-D249 PolarHBondContact OG-N 2.86Å; D249-S251 PolarHBondContact O-N 2.81Å; D249-S251 WeakPolarHBondContact OD1-CA 3.2Å; D249-S251 VanDerWaalsContact OD1-CB 3.28Å; D249-S251 WeakPolarHBondContact OD1-CB 3.36Å; D249-S251 PolarHBondContact OD1-N 2.89Å; D249-S251 PolarHBondContact OD1-OG 3.47Å; D249-S251 PolarHBondContact OD2-OG 2.75Å; D249-T252 PolarHBondContact O-N 2.92Å; D249-T252 WeakPolarHBondContact OD2-CB 3.29Å; D249-T252 PolarHBondContact OD2-N 2.95Å; D249-T252 PolarHBondContact OD2-OG1 3Å
250P93.7Very high94.9Very high62 Ų6244.3 Ų44.340%0.40322%0.221SC..THydrogen-bonded Turntrans-58.6-13.8174.6-28.637.6000115.4Y225 R245Y225-P250 HydrophobicContact CE2-CB 4.26Å; Y225-P250 HydrophobicContact CE2-CG 4.22Å; Y225-P250 WeakPolarHBondContact OH-CB 3.27Å; R245-P250 VanDerWaalsContact CD-O 3.27Å; R245-P250 WeakPolarHBondContact CD-O 3.39Å; R245-P250 PolarHBondContact NH1-O 2.61Å
251S94Very high94.7Very high53 Ų5342.4 Ų42.437%0.37121%0.213SC..THydrogen-bonded Turntrans-79.8-23.8174.180.70000113K200 S201 D249K200-S251 CarbonylContact C-O 3.52Å; K200-S251 WeakPolarHBondContact CA-O 3.38Å; S201-S251 PolarHBondContact N-O 3.49Å; D249-S251 PolarHBondContact O-N 2.81Å; D249-S251 WeakPolarHBondContact OD1-CA 3.2Å; D249-S251 VanDerWaalsContact OD1-CB 3.28Å; D249-S251 WeakPolarHBondContact OD1-CB 3.36Å; D249-S251 PolarHBondContact OD1-N 2.89Å; D249-S251 PolarHBondContact OD1-OG 3.47Å; D249-S251 PolarHBondContact OD2-OG 2.75Å
252T94.5Very high94.5Very high13 Ų1347.3 Ų47.38%0.0824%0.244CC..EExtended strand (participates in β ladder)trans-90.5125.4-178-71.80000112.9L198 S246 D249L198-T252 HydrophobicContact CB-CG2 3.99Å; L198-T252 HydrophobicContact CD2-CG2 4.13Å; L198-T252 HydrophobicContact CG-CG2 3.83Å; S246-T252 WeakPolarHBondContact CB-O 3.49Å; S246-T252 PolarHBondContact N-O 3.29Å; D249-T252 PolarHBondContact O-N 2.92Å; D249-T252 WeakPolarHBondContact OD2-CB 3.29Å; D249-T252 PolarHBondContact OD2-N 2.95Å; D249-T252 PolarHBondContact OD2-OG1 3Å
253V95.4Very high94.3Very high0 Ų046.4 Ų46.40%024%0.243CC..EExtended strand (participates in β ladder)trans-106.6123.9171.7-177.10000110T199 V243 R245T199-V253 PolarHBondContact N-O 3.48Å; T199-V253 PolarHBondContact O-N 3.44Å; V243-V253 HydrophobicContact CG1-CG1 3.88Å; R245-V253 VanDerWaalsContact NH2-CG2 3.33Å
254V94.8Very high94Very high38 Ų3853.2 Ų53.223%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-90.7117.7172.7-1750000109.4F197 L198 E244F197-V254 WeakPolarHBondContact O-CA 3.34Å; L198-V254 HydrophobicContact CD1-CG1 4.3Å; L198-V254 HydrophobicContact CD1-CG2 4.04Å; L198-V254 HydrophobicContact CG-CG2 4.16Å; E244-V254 PolarHBondContact N-O 2.92Å; E244-V254 WeakPolarHBondContact O-CA 3.27Å; E244-V254 WeakPolarHBondContact O-CB 3.31Å; E244-V254 PolarHBondContact O-N 3.17Å
255T95.4Very high93.5Very high3 Ų351.8 Ų51.82%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-113116.1174.6-59.20000110.3A196 F197 K241 R242 V243 Y257A196-T255 WeakPolarHBondContact CA-O 3.45Å; F197-T255 PolarHBondContact N-O 3.41Å; F197-T255 PolarHBondContact O-N 3.36Å; K241-T255 HydrophobicContact CD-CG2 3.74Å; K241-T255 HydrophobicContact CG-CG2 3.86Å; R242-T255 CarbonylContact O-C 3.56Å; R242-T255 WeakPolarHBondContact O-CA 3.37Å; V243-T255 HydrophobicContact CG2-CG2 4.43Å; T255-Y257 HydrophobicContact CG2-CD2 4.22Å; T255-Y257 HydrophobicContact CG2-CE2 3.52Å
256T95.4Very high92.8Very high8 Ų852.9 Ų52.95%0.04928%0.279CS..EExtended strand (participates in β ladder)trans-103.3131172.5-400000111.1R194 V195 A196 K241 R242R194-T256 HydrophobicContact CB-CG2 4.47Å; V195-T256 CarbonylContact O-C 3.58Å; V195-T256 WeakPolarHBondContact O-CA 3.45Å; A196-T256 HydrophobicContact CB-CG2 4.24Å; K241-T256 CarbonylContact C-O 3.59Å; K241-T256 WeakPolarHBondContact CA-O 3.34Å; R242-T256 PolarHBondContact N-O 2.89Å; R242-T256 PolarHBondContact NE-OG1 3.13Å; R242-T256 PolarHBondContact NH2-OG1 2.87Å; R242-T256 PolarHBondContact O-N 3.43Å
257Y95.6Very high91.8Very high20 Ų2054 Ų548%0.07829%0.289CS..EExtended strand (participates in β ladder)trans-101.9151166.8-59.2-95.7000110.3L78 R194 V195 F197 D208 W212 K240 K241 T255L78-Y257 HydrophobicContact CD1-CD2 4.15Å; L78-Y257 HydrophobicContact CD1-CE2 4.23Å; R194-Y257 VanDerWaalsContact CA-O 3.26Å; R194-Y257 WeakPolarHBondContact CA-O 3.27Å; V195-Y257 PolarHBondContact N-O 3.4Å; V195-Y257 PolarHBondContact O-N 2.86Å; F197-Y257 HydrophobicContact CD2-CD2 4Å; F197-Y257 AromaticContact CD2-CE2 3.93Å; F197-Y257 HydrophobicContact CD2-CE2 3.93Å; F197-Y257 AromaticContact CE2-CD2 3.86Å; F197-Y257 HydrophobicContact CE2-CD2 3.86Å; F197-Y257 HydrophobicContact CE2-CE2 4.1Å; D208-Y257 PolarHBondContact OD2-OH 3.32Å; D208-Y257 VanDerWaalsContact OD2-OH 3.12Å; W212-Y257 HydrophobicContact CH2-CD1 4.14Å; W212-Y257 HydrophobicContact CH2-CE1 4.26Å; W212-Y257 HydrophobicContact CZ2-CD1 4.19Å; W212-Y257 AromaticContact CZ2-CE1 3.84Å; W212-Y257 HydrophobicContact CZ2-CE1 3.84Å; K240-Y257 CarbonylContact O-C 3.54Å; K240-Y257 WeakPolarHBondContact O-CA 3.24Å; K241-Y257 HydrophobicContact CB-CD1 4.19Å; K241-Y257 HydrophobicContact CB-CE1 4.28Å; K241-Y257 HydrophobicContact CD-CD1 4.07Å; K241-Y257 HydrophobicContact CD-CE1 3.31Å; K241-Y257 HydrophobicContact CG-CD1 4.31Å; K241-Y257 HydrophobicContact CG-CE1 4.03Å; T255-Y257 HydrophobicContact CG2-CD2 4.22Å; T255-Y257 HydrophobicContact CG2-CE2 3.52Å
258E94.6Very high90.5Very high47 Ų4751 Ų5122%0.2229%0.288CS..EExtended strand (participates in β ladder)trans-139.1117.5178-178.8176.2-132.200110.1Q192 R194 V239 K240Q192-E258 HydrophobicContact CB-CG 3.81Å; R194-E258 HydrophobicContact CG-CB 3.74Å; R194-E258 HydrophobicContact CG-CG 3.67Å; V239-E258 WeakPolarHBondContact CA-O 3.32Å; K240-E258 HydrophobicContact CB-CB 4.33Å; K240-E258 WeakPolarHBondContact CD-OE2 3.43Å; K240-E258 PolarHBondContact N-O 3.31Å; K240-E258 VanDerWaalsContact N-O 3.07Å; K240-E258 IonicContact NZ-OE2 2.61Å; K240-E258 PolarHBondContact NZ-OE2 3.38Å; K240-E258 PolarHBondContact O-N 3.13Å
259G92.3Very high88.8Confident17 Ų1750.6 Ų50.618%0.17528%0.284CS..SBendtrans86.9169.6-172.600000114.4P193P193-G259 PolarHBondContact O-N 3.49Å
260Q92.1Very high87Confident89 Ų8958.4 Ų58.442%0.41631%0.31SS..  trans-107.1146.5-175.3-176.4177.60.200111.4M82 D83 V239M82-Q260 HydrophobicContact CE-CB 4.35Å; M82-Q260 HydrophobicContact SD-CB 4.49Å; D83-Q260 PolarHBondContact OD1-NE2 3Å; V239-Q260 WeakPolarHBondContact CG2-O 3.5Å
261H93.5Very high85.3Confident18 Ų1859.9 Ų59.98%0.08333%0.327CS..  trans-82.5117.6-178.6-81.4-79.4000111.8Y210 W212 C237 V239 H263Y210-H261 AromaticContact CD1-CD2 3.93Å; Y210-H261 AromaticContact CD1-CE1 3.27Å; Y210-H261 WeakPolarHBondContact CD1-CE1 3.49Å; Y210-H261 AromaticContact CD1-CG 3.74Å; Y210-H261 AromaticContact CD1-ND1 3.31Å; Y210-H261 VanDerWaalsContact CD1-ND1 3.31Å; Y210-H261 WeakPolarHBondContact CD1-ND1 3.4Å; Y210-H261 AromaticContact CD1-NE2 3.68Å; Y210-H261 HydrophobicContact CE1-CB 3.73Å; Y210-H261 AromaticContact CE1-CD2 3.75Å; Y210-H261 AromaticContact CE1-CE1 3.72Å; Y210-H261 AromaticContact CE1-CG 3.31Å; Y210-H261 AromaticContact CE1-ND1 3.29Å; Y210-H261 VanDerWaalsContact CE1-ND1 3.29Å; Y210-H261 WeakPolarHBondContact CE1-ND1 3.32Å; Y210-H261 AromaticContact CG-CE1 3.98Å; Y210-H261 AromaticContact CZ-CG 3.96Å; W212-H261 AromaticContact CH2-CE1 3.79Å; W212-H261 AromaticContact CH2-NE2 3.55Å; W212-H261 AromaticContact CZ2-NE2 3.84Å; C237-H261 PolarHBondContact SG-ND1 2.96Å; V239-H261 HydrophobicContact CG2-CB 4.46Å; H261-H263 AromaticContact ND1-CE1 3.7Å; H261-H263 AromaticContact ND1-NE2 3.13Å; H261-H263 PolarHBondContact ND1-NE2 3.33Å; H261-H263 VanDerWaalsContact ND1-NE2 3.13Å; H261-H263 PolarHBondContact O-N 2.94Å
262T91.4Very high83.3Confident109 Ų10961.2 Ų61.267%0.66935%0.349SS*.SBendtrans-87.131178.267.40000112.8
263H92.5Very high81.3Confident50 Ų5062.5 Ų62.523%0.23137%0.365CS..SBendtrans-165.6151.7-177.265.489000110.2Y210 C232 A234 C237 H261Y210-H263 AromaticContact CD1-CE1 3.49Å; Y210-H263 VanDerWaalsContact CD1-CE1 3.49Å; Y210-H263 WeakPolarHBondContact CD1-CE1 3.26Å; Y210-H263 AromaticContact CE1-CE1 3.39Å; Y210-H263 WeakPolarHBondContact CE1-CE1 3.44Å; Y210-H263 AromaticContact CE1-ND1 3.93Å; Y210-H263 PolarHBondContact OH-O 2.89Å; C232-H263 PolarHBondContact SG-NE2 2.68Å; C232-H263 VanDerWaalsContact SG-NE2 3.38Å; A234-H263 VanDerWaalsContact CB-NE2 3.34Å; A234-H263 WeakPolarHBondContact CB-NE2 3.36Å; C237-H263 PolarHBondContact SG-NE2 3.03Å; H261-H263 AromaticContact ND1-CE1 3.7Å; H261-H263 AromaticContact ND1-NE2 3.13Å; H261-H263 PolarHBondContact ND1-NE2 3.33Å; H261-H263 VanDerWaalsContact ND1-NE2 3.13Å; H261-H263 PolarHBondContact O-N 2.94Å
264H90.2Very high79.4Confident145 Ų14567.6 Ų67.667%0.67141%0.407SS*.  trans-63.9158.1174.4-52.3-71000112.6F269H264-F269 HydrophobicContact CB-CE2 4.17Å
265S86.1Confident77.4Confident11 Ų1173.4 Ų73.48%0.07743%0.431CS..  trans-56.2125.8168.3166.80000110.8G209 Y210 A267 S268G209-S265 PolarHBondContact O-OG 3.23Å; Y210-S265 PolarHBondContact OH-N 2.98Å; S265-A267 PolarHBondContact O-N 3.03Å; S265-A267 PolarHBondContact OG-N 3.03Å; S265-A267 VanDerWaalsContact OG-N 3.17Å; S265-S268 WeakPolarHBondContact O-CB 3.07Å; S265-S268 PolarHBondContact O-N 3.4Å; S265-S268 VanDerWaalsContact O-N 3.14Å; S265-S268 PolarHBondContact OG-N 2.99Å
266P80.6Confident75.5Confident50 Ų5079.5 Ų79.533%0.32546%0.463SS..THydrogen-bonded Turntrans-63.8-15.8172.524.9-34.2000113.8G209 R211G209-P266 WeakPolarHBondContact O-CD 3.41Å; G209-P266 WeakPolarHBondContact O-CG 3.5Å; R211-P266 HydrophobicContact CB-CG 4.32Å; R211-P266 HydrophobicContact CG-CB 4.44Å; R211-P266 HydrophobicContact CG-CG 3.72Å
267A73.2Confident73.4Confident47 Ų4788.3 Ų88.339%0.38850%0.501SS..THydrogen-bonded Turntrans-76.1-34.817200000112.7S265 F269 R270S265-A267 PolarHBondContact O-N 3.03Å; S265-A267 PolarHBondContact OG-N 3.03Å; S265-A267 VanDerWaalsContact OG-N 3.17Å; A267-F269 PolarHBondContact O-N 3.15Å; A267-F269 VanDerWaalsContact O-N 3.15Å; A267-R270 PolarHBondContact O-N 3.45Å
268S66.7Low71.5Confident73 Ų7395.3 Ų95.351%0.5154%0.537SS..G310 helixtrans-53.9-36.9-178.6174.50000112.9S265 R270 A271S265-S268 WeakPolarHBondContact O-CB 3.07Å; S265-S268 PolarHBondContact O-N 3.4Å; S265-S268 VanDerWaalsContact O-N 3.14Å; S265-S268 PolarHBondContact OG-N 2.99Å; S268-R270 PolarHBondContact O-N 3.27Å; S268-A271 PolarHBondContact O-N 3.14Å
269F59.8Low69.4Low153 Ų15399 Ų9967%0.67156%0.564SS**G310 helixtrans-61.9-12.5177.7-73.5-82.8000115.4H264 A267H264-F269 HydrophobicContact CB-CE2 4.17Å; A267-F269 PolarHBondContact O-N 3.15Å; A267-F269 VanDerWaalsContact O-N 3.15Å
270R56.1Low67.3Low221 Ų221105.7 Ų105.783%0.83460%0.596SS**G310 helixtrans-90.3-18.1179.1-68.1-171.8169.5-160.4-5.7114.3A267 S268A267-R270 PolarHBondContact O-N 3.45Å; S268-R270 PolarHBondContact O-N 3.27Å
271A56.5Low65.3Low93 Ų93105.2 Ų105.277%0.76961%0.608SS**SBendtrans-84.5-10.6-167.800000115.6S268S268-A271 PolarHBondContact O-N 3.14Å
272G53.2Low63.4Low80 Ų80113.4 Ų113.483%0.82565%0.645SS**SBendtrans-157.822.6-168.700000118.6
273G51.9Low61.4Low41 Ų41112.9 Ų112.942%0.42365%0.652SS.*  trans-142-7.7-172.800000118.6H275G273-H275 PolarHBondContact O-N 3.2Å
274A55.1Low59.7Low107 Ų107118 Ų11888%0.88468%0.681SS**THydrogen-bonded Turntrans-71.2-1.2-164.300000116.6
275H52.6Low58.6Low159 Ų159116.3 Ų116.374%0.73668%0.682SS**THydrogen-bonded Turntrans-102-28.4-175.1173.6-124.2000114.4G273G273-H275 PolarHBondContact O-N 3.2Å
276L56.2Low57Low132 Ų132122.1 Ų122.169%0.69172%0.719SS**SBendtrans-98.65.8-159.4-64.2178.3000116.2
277F52.2Low55.5Low193 Ų193128.9 Ų128.985%0.84675%0.747SS**  trans-129.644.6-177.9-66.4-71.8000114.1
278M54.4Low54.4Low167 Ų167134.6 Ų134.682%0.82377%0.765SS**  trans-81.1123.3150.4-66.2-144.976.300108.7N280M278-N280 PolarHBondContact O-N 3.49Å; M278-N280 VanDerWaalsContact O-N 3.14Å
279P50.6Low53.5Low123 Ų123136.8 Ų136.880%0.79977%0.77SS**  trans-66.1115169.127.5-31.6000108.2
280N47.6Very low53.3Low159 Ų159137.6 Ų137.685%0.8578%0.779SS**  trans-57.7149.9178.9-171.421.6000110.8M278M278-N280 PolarHBondContact O-N 3.49Å; M278-N280 VanDerWaalsContact O-N 3.14Å
281A51.4Low53.1Low79 Ų79134.1 Ų134.165%0.65378%0.776SS**  trans-55.9148.9-169.400000113.4A283A281-A283 PolarHBondContact O-N 3.5Å
282H52.2Low52.9Low190 Ų190135 Ų13588%0.8877%0.773SS**  trans-59.7102.1170.7-72.7-76.2000110.3L284H282-L284 PolarHBondContact O-N 3.34Å
283A50.6Low52.8Low98 Ų98136.4 Ų136.481%0.8177%0.771SS**  trans-69.696.4177.600000110.7A281A281-A283 PolarHBondContact O-N 3.5Å
284L57Low53.2Low158 Ų158139.4 Ų139.483%0.82779%0.785SS**PPolyproline II helixtrans-75.4131.5165.2-67.9173.4000109H282H282-L284 PolarHBondContact O-N 3.34Å
285P66.1Low53Low108 Ų108143.9 Ų143.970%0.70179%0.785SS**PPolyproline II helixtrans-72.3152.6-173.228.3-35000112.9
286P53.7Low52.8Low133 Ų133147.7 Ų147.786%0.86479%0.793SS**PPolyproline II helixtrans-63.4148.7178.8-21.933.9000113.6
287Q49.1Very low52.3Low193 Ų193146.8 Ų146.890%0.90280%0.795SS**PPolyproline II helixtrans-94.7126-179.1-55.117817.500110.7
288H49.2Very low52.1Low166 Ų166141.4 Ų141.477%0.76979%0.786SS**  trans-151.2108.4165.9-157.5-100.2000113.8
289L48.6Very low51.8Low119 Ų119140.3 Ų140.362%0.62378%0.784SS**  trans30.4118.9153.2-49.7-177.4000120
290M55Low51.8Low171 Ų171141.3 Ų141.384%0.84278%0.782SS**  -162.1157.6103.8-96.5-56141.300111.7
291L52.9Low51.9Low148 Ų148142.4 Ų142.478%0.77578%0.784SS**  trans-118.4-178.4-173.9-103.874.5000110.1
292P52.3Low51.8Low110 Ų110141.8 Ų141.871%0.71479%0.785SS**  cis-137.5167.6-40.937.4-22.4000113.2
293S51.1Low51.9Low111 Ų111141.6 Ų141.678%0.77679%0.787SS**  trans-165.6108.8144.349.10000115.8
294S58.6Low52.1Low103 Ų103143.2 Ų143.272%0.7279%0.786SS**  trans70.2143.3138.7-50.10000123.1
295F52.7Low51.8Low202 Ų202144 Ų14489%0.88679%0.785SS**  trans78111.3164.4-57.6-66.4000120.5
296R47.9Very low51.5Low238 Ų238144.1 Ų144.190%0.89879%0.786SS**  trans-162.4170.1174-86.7-84179.3155.5-4105.4
297P46.4Very low51.3Low113 Ų113144.9 Ų144.973%0.73479%0.788SS**  -126.4-172.5-5839.6-23.9000110.6
298A47.7Very low51.3Low81 Ų81140.1 Ų140.167%0.66978%0.776SS**  trans158.1161139.700000113.2
299D46.6Very low51.7Low144 Ų144140.9 Ų140.977%0.7778%0.782SS**  trans62.2154.1156.4-69.6-32.3000120.6
300L50.9Low51.8Low144 Ų144138.5 Ų138.575%0.75479%0.786SS**  cis-158.9173.8-28.9-170.353.6000109.1
301M49.9Very low51.7Low182 Ų182134.8 Ų134.890%0.89778%0.782SS**  trans-46.3143-176.4-56.5171.7-179.700118.2
302G49.5Very low51.6Low65 Ų65135.2 Ų135.267%0.6779%0.785SS**  trans178.7121.7160.800000110.7
303M55.1Low51.1Low187 Ų187138.5 Ų138.592%0.92180%0.796SS**  65125.777.8-67.6-165.4-173.700113.5
304V53.1Low51.1Low132 Ų132137.9 Ų137.980%0.879%0.792SS**  cis-155.1168.67.4-104.80000114.2
305H50.8Low50.6Low174 Ų174141.4 Ų141.481%0.80680%0.799SS**  trans-56.2-169.5170.9-66.7-109.1000116.9
306P60.8Low50.9Low110 Ų110140.9 Ų140.971%0.71480%0.797SS**  -141.4160.6-55.339.6-23.6000115.8
307V49.2Very low50.7Low150 Ų150137.6 Ų137.691%0.90980%0.796SS**  trans-151.6170.4158.3-159.50000109.2
308S49.9Very low51Low92 Ų92138.3 Ų138.364%0.64380%0.801SS**  -161177.5-78.7-165.50000110
309M57.7Low51Low183 Ų183140.8 Ų140.890%0.90181%0.808SS**  trans68.1130.1177.6-44.3-60.9179.600116.7
310G49.1Very low51.3Low69 Ų69142 Ų14271%0.71181%0.811SS**  cis165.7149.9-12.800000113.7
311A53.1Low51.6Low92 Ų92140.7 Ų140.776%0.7681%0.811SS**  trans53144.6156.500000120.6
312N51.5Low52Low157 Ų157138 Ų13884%0.8481%0.808SS**  cis-159147.8-7.3-114.8-23000109
313L42.7Very low52.4Low179 Ų179143.6 Ų143.694%0.93782%0.816SS**  trans-132126.7166.4-146.280.6000108.3
314S51Low52.4Low99 Ų99143.2 Ų143.269%0.69281%0.814SS**  trans-121.1138.9-175.6-169.50000111.2
315M47.7Very low52.4Low177 Ų177142.2 Ų142.287%0.87281%0.81SS**  trans-100.4134.9-176.9-59.2-164-58.900111.6
316F57.6Low52.2Low190 Ų190139.7 Ų139.783%0.83381%0.812SS**  trans-139.4122.7162.4-73.5-75000110.9
317L43.7Very low52Low170 Ų170140.3 Ų140.389%0.8982%0.816SS**  trans-94.5157.2165-74.2164.9000109.5
318P53.8Low51.9Low127 Ų127137.6 Ų137.683%0.82581%0.81SS**  trans-133.7169.813634.5-21.9000113.8
319T48.4Very low51.8Low134 Ų134138.3 Ų138.382%0.82281%0.814SS**  trans-102.5158.6-165.1-61.70000113.9
320M51.8Low51.3Low168 Ų168141.2 Ų141.283%0.82882%0.815SS**  trans-39.1158.5174.1-53.8-63.816000116.7
321P56.6Low51.1Low118 Ų118142.4 Ų142.477%0.76682%0.818SS**  -139163.599.338.6-27.3000115.5
322P59.1Low51.2Low126 Ų126146.2 Ų146.282%0.81882%0.82SS**  trans-98.3160-173.138.3-35.8000115.2
323H57.4Low51.1Low181 Ų181143.9 Ų143.984%0.83881%0.813SS**  trans-154.3160.3155.362.5-85.5000112.4
324M55.4Low50.9Low179 Ų179141.6 Ų141.688%0.88280%0.801SS**  trans-135.1164.3172.5-50.7-175.7175.700107.4
325P52.1Low50.8Low112 Ų112144.7 Ų144.773%0.72781%0.805SS**  -155.2151.17739.3-18.9000118.7
326S47.7Very low51.1Low120 Ų120145.3 Ų145.384%0.83981%0.805SS**  trans59.8158.8140.1-63.70000123.7
327P57.3Low50.6Low124 Ų124142.4 Ų142.481%0.80580%0.795SS**  trans-122.8168.5-166.242.7-29.9000116
328A46.3Very low50.7Low93 Ų93141.3 Ų141.377%0.76979%0.785SS**  trans-168.4138.7144.800000115.2
329S47.1Very low50.4Low106 Ų106142.4 Ų142.474%0.74178%0.779SS**  trans67.7114.6143.8-63.80000124.3
330R47Very low50.3Low245 Ų245142.9 Ų142.993%0.92577%0.772SS**  trans66.7139.4137.3-73.5174.6159.5153.6-7119.5
331A45.4Very low50.1Low93 Ų93142 Ų14277%0.76976%0.763SS**  cis-157.3170.7-600000112.7
332H55.2Low49.9Very low172 Ų172140.2 Ų140.280%0.79675%0.75SS**  trans-76.8-178.3179.3-73.2-110.1000114.1
333P48.9Very low49.4Very low109 Ų109139.3 Ų139.371%0.70874%0.739SS**  cis-118.1171.4-1611.214.3000111.9
334L38.5Very low49Very low130 Ų130137.9 Ų137.968%0.68173%0.727SS**  cis61.766.431.6-80.6-178.5000116.7
335Q50.7Low49.1Very low164 Ų164132 Ų13277%0.76671%0.707SS**  trans-123.6-28.6168.8-170.1170.5-17.900114.2Q337Q335-Q337 VanDerWaalsContact C-N 3.31Å; Q335-Q337 PolarHBondContact O-N 3.37Å
336Q52.2Low49.4Very low190 Ų190132.2 Ų132.289%0.88870%0.701SS**THydrogen-bonded Turntrans-74.7-12.5-171.9-162.2164.648.200115.1
337Q48.7Very low49.9Very low129 Ų129131.5 Ų131.560%0.60369%0.688SS**THydrogen-bonded Turntrans-92.5-22.6-176.2-167.8171.1-7.600114.1Q335 Q340Q335-Q337 VanDerWaalsContact C-N 3.31Å; Q335-Q337 PolarHBondContact O-N 3.37Å; Q337-Q340 PolarHBondContact O-N 3.37Å
338Q45.8Very low50Low147 Ų147132.4 Ų132.469%0.68768%0.681SS**THydrogen-bonded Turntrans-67.7-37-179.9-83.4-171.8-89.200112.9Q340 F341 T342Q338-Q340 PolarHBondContact O-N 3.27Å; Q338-F341 PolarHBondContact O-N 3.08Å; Q338-T342 PolarHBondContact O-N 3.46Å; Q338-T342 PolarHBondContact O-OG1 3.2Å
339H46.7Very low50.6Low151 Ų151134.6 Ų134.670%0.69968%0.68SS**Hα-helixtrans-60.5-31.5-178.2-131.798.3000112.4F341H339-F341 VanDerWaalsContact C-N 3.3Å; H339-F341 PolarHBondContact O-N 3.35Å
340Q47.2Very low51.3Low143 Ų143135.5 Ų135.567%0.66868%0.675SS**Hα-helixtrans-74.4-14.8174.2-67.5-136.1-67.700114.3Q337 Q338 Y344Q337-Q340 PolarHBondContact O-N 3.37Å; Q338-Q340 PolarHBondContact O-N 3.27Å; Q340-Y344 WeakPolarHBondContact O-CD2 3.44Å; Q340-Y344 WeakPolarHBondContact O-CE2 3.42Å
341F47Very low52Low150 Ų150131 Ų13166%0.65866%0.663SS**Hα-helixtrans-94.1-28.1177.6-110.2-89.3000112.9Q338 H339 Y344 A345Q338-F341 PolarHBondContact O-N 3.08Å; H339-F341 VanDerWaalsContact C-N 3.3Å; H339-F341 PolarHBondContact O-N 3.35Å; F341-Y344 PolarHBondContact O-N 3.26Å; F341-A345 PolarHBondContact O-N 3.22Å
342T51.8Low52.7Low80 Ų80131.8 Ų131.849%0.49166%0.66SS.*Hα-helixtrans-62.7-42179.5-48.30000112.3Q338 Y344 A345 L346Q338-T342 PolarHBondContact O-N 3.46Å; Q338-T342 PolarHBondContact O-OG1 3.2Å; T342-Y344 VanDerWaalsContact C-N 3.31Å; T342-Y344 PolarHBondContact O-N 3.43Å; T342-A345 WeakPolarHBondContact O-CB 3.22Å; T342-A345 PolarHBondContact O-N 2.89Å; T342-A345 VanDerWaalsContact O-N 3.08Å; T342-L346 PolarHBondContact O-N 3.25Å
343D48.1Very low52.6Low107 Ų107129.7 Ų129.757%0.57267%0.665SS**Hα-helixtrans-62.1-36.2178.4-75.6-42.1000112.8A345 L346 L347D343-A345 VanDerWaalsContact C-N 3.26Å; D343-A345 PolarHBondContact O-N 3.49Å; D343-L346 PolarHBondContact O-N 3.1Å; D343-L347 WeakPolarHBondContact O-CB 3.04Å; D343-L347 PolarHBondContact O-N 3Å; D343-L347 VanDerWaalsContact O-N 3.1Å
344Y50.7Low52.8Low152 Ų152130.3 Ų130.360%0.59667%0.667SS**Hα-helixtrans-70.5-20.3176.4-67.8-68000113.3Q340 F341 T342 Q348Q340-Y344 WeakPolarHBondContact O-CD2 3.44Å; Q340-Y344 WeakPolarHBondContact O-CE2 3.42Å; F341-Y344 PolarHBondContact O-N 3.26Å; T342-Y344 VanDerWaalsContact C-N 3.31Å; T342-Y344 PolarHBondContact O-N 3.43Å; Y344-Q348 WeakPolarHBondContact O-CG 3.5Å; Y344-Q348 PolarHBondContact O-NE2 3.07Å
345A57.4Low53.5Low55 Ų55132.4 Ų132.446%0.45568%0.675SS.*Hα-helixtrans-74.7-51.3173.300000110.8F341 T342 D343 L347 Q348F341-A345 PolarHBondContact O-N 3.22Å; T342-A345 WeakPolarHBondContact O-CB 3.22Å; T342-A345 PolarHBondContact O-N 2.89Å; T342-A345 VanDerWaalsContact O-N 3.08Å; D343-A345 VanDerWaalsContact C-N 3.26Å; D343-A345 PolarHBondContact O-N 3.49Å; A345-L347 PolarHBondContact O-N 2.8Å; A345-Q348 PolarHBondContact O-N 3.07Å; A345-Q348 VanDerWaalsContact O-N 3.07Å
346L57Low54.1Low117 Ų117129.7 Ų129.761%0.61367%0.672SS**Hα-helixtrans-63.1-27178.2-79.8167.4000113.3T342 D343 Q348T342-L346 PolarHBondContact O-N 3.25Å; D343-L346 PolarHBondContact O-N 3.1Å; L346-Q348 VanDerWaalsContact C-N 3.28Å; L346-Q348 PolarHBondContact O-N 3.37Å
347L58.4Low54.3Low105 Ų105128.4 Ų128.455%0.5567%0.671SS.*THydrogen-bonded Turntrans-75.6-11.7176.6-149.173.2000114D343 A345D343-L347 WeakPolarHBondContact O-CB 3.04Å; D343-L347 PolarHBondContact O-N 3Å; D343-L347 VanDerWaalsContact O-N 3.1Å; A345-L347 PolarHBondContact O-N 2.8Å
348Q59.3Low54.7Low142 Ų142129 Ų12966%0.66468%0.678SS**THydrogen-bonded Turntrans-85.6-29178.3-77.4170.785.800113Y344 A345 L346 L350 F351Y344-Q348 WeakPolarHBondContact O-CG 3.5Å; Y344-Q348 PolarHBondContact O-NE2 3.07Å; A345-Q348 PolarHBondContact O-N 3.07Å; A345-Q348 VanDerWaalsContact O-N 3.07Å; L346-Q348 VanDerWaalsContact C-N 3.28Å; L346-Q348 PolarHBondContact O-N 3.37Å; Q348-L350 PolarHBondContact O-N 2.92Å; Q348-F351 PolarHBondContact O-N 3.14Å
349D60.5Low55.6Low139 Ų139130.9 Ų130.974%0.74370%0.704SS**THydrogen-bonded Turntrans-70.1-14.1177.5-73-39000113.6
350L61Low56Low125 Ų125129.9 Ų129.965%0.65470%0.704SS**THydrogen-bonded Turntrans-85.7-7.2178.2-93.267.4000114.4Q348Q348-L350 PolarHBondContact O-N 2.92Å
351F62.6Low56.5Low151 Ų151129.2 Ų129.266%0.66271%0.706SS**SBendtrans-132.390.7-176-67.6-76.5000112.8Q348 S353Q348-F351 PolarHBondContact O-N 3.14Å; F351-S353 PolarHBondContact O-N 2.91Å
352P59.6Low57Low110 Ų110128.1 Ų128.171%0.71471%0.708SS**  trans-56.3114.4171.2-24.234.6000111.1T354P352-T354 PolarHBondContact O-N 2.99Å
353S53.4Low57.3Low127 Ų127130.9 Ų130.989%0.88872%0.721SS**  trans-77.282.1-176.2-72.20000111.8F351F351-S353 PolarHBondContact O-N 2.91Å
354T52.8Low57.9Low122 Ų122132.4 Ų132.475%0.74873%0.73SS**  trans-11489.3174.758.90000111.4P352P352-T354 PolarHBondContact O-N 2.99Å
355M53.2Low58.4Low174 Ų174131.1 Ų131.186%0.85774%0.739SS**  trans-125.6131161.2-85.8-68.7-71.900108.5
356P62.8Low58.5Low108 Ų108136.5 Ų136.570%0.70176%0.76SS**  trans-82.2153.3-168.332.5-35.8000113.3
357N56.9Low58.6Low163 Ų163138 Ų13887%0.87277%0.771SS**  trans-69.6146164.9-162.627000110.2
358N57.5Low58.6Low140 Ų140140.8 Ų140.875%0.74979%0.79SS**  trans-135.5148.3-175.2-150.538.7000107.8
359P63.7Low58.5Low188 Ų188140.6 Ų140.6100%1.22180%0.801SS**  -86.20-120.3-7.326.6000115.2

Retrieved 359 of 359 residues in 45.5 ms (Link to these results)