A0A087X815_POEFO Loading...

Ventral anterior homeobox 1

AlphaFold DB , UniProt , Accession A0A087X815, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 295 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
1V39.9Very low41.6Very low184 Ų184158 Ų158100%1.11583%0.825SS**  0112.40-1800000106.1
2Q36.3Very low41.5Very low163 Ų163161.8 Ų161.876%0.76282%0.823SS**  trans-97.5117.8-172.2-170.9152.3-28.600105.2
3E42.1Very low41.5Very low169 Ų169159.2 Ų159.279%0.7981%0.812SS**  trans-110.898.2175.3-72.2-69145.900106.8
4D39Very low41.6Very low134 Ų134159.3 Ų159.372%0.71781%0.807SS**  trans-69.5121.9173.2-74.7-49.1000109.7
5N43.1Very low41.9Very low158 Ų158159.3 Ų159.385%0.84580%0.803SS**  trans-101.9109.4172.4-170.314.1000108.8S7N5-S7 PolarHBondContact O-N 3.44Å
6P51.1Low42.4Very low114 Ų114154.8 Ų154.874%0.7479%0.787SS**  trans-80.3115.4-17929.8-30.2000111M8P6-M8 PolarHBondContact O-N 3.33Å
7S37.4Very low42.8Very low111 Ų111153.4 Ų153.478%0.77678%0.776SS**  trans-55.8116.6166.7-172.20000110.9N5 E9N5-S7 PolarHBondContact O-N 3.44Å; S7-E9 VanDerWaalsContact C-N 3.35Å; S7-E9 PolarHBondContact O-N 3.32Å; S7-E9 VanDerWaalsContact O-N 3.1Å
8M43.2Very low43.4Very low182 Ų182148.6 Ų148.690%0.89776%0.764SS**  trans-77.388.5165.9-88.5-149.5-151.200109.3P6 V10P6-M8 PolarHBondContact O-N 3.33Å; M8-V10 PolarHBondContact O-N 2.81Å
9E40.7Very low43.9Very low170 Ų170148.3 Ų148.379%0.79476%0.761SS**  trans-72.7101.9165.7-157.5171.2-154.100108.3S7 R11S7-E9 VanDerWaalsContact C-N 3.35Å; S7-E9 PolarHBondContact O-N 3.32Å; S7-E9 VanDerWaalsContact O-N 3.1Å; E9-R11 VanDerWaalsContact C-N 3.28Å; E9-R11 PolarHBondContact O-N 3.5Å
10V42Very low44.5Very low133 Ų133147.3 Ų147.381%0.80676%0.756SS**  trans-7088.6175.9-178.80000108.1M8 Y12M8-V10 PolarHBondContact O-N 2.81Å; V10-Y12 PolarHBondContact O-N 3.2Å
11R42.6Very low45Very low220 Ų220146.4 Ų146.483%0.8375%0.752SS**  trans-59.8106.3172-116.2-179.6-176141.91.9109.3E9 N13E9-R11 VanDerWaalsContact C-N 3.28Å; E9-R11 PolarHBondContact O-N 3.5Å; R11-N13 PolarHBondContact O-N 3.1Å
12Y40.2Very low45.4Very low204 Ų204146 Ų14680%0.874%0.735SS**  trans-60.6121.4170.2-171.7-100.2000109.6V10 Q14V10-Y12 PolarHBondContact O-N 3.2Å; Y12-Q14 PolarHBondContact O-N 2.87Å
13N41.4Very low45.8Very low128 Ų128144.6 Ų144.668%0.68473%0.733SS**  trans-71.593.1-178-79-60.1000111R11 E15 T16R11-N13 PolarHBondContact O-N 3.1Å; N13-E15 PolarHBondContact O-N 3.02Å; N13-T16 PolarHBondContact O-OG1 3.47Å
14Q44.1Very low46.1Very low160 Ų160146.9 Ų146.975%0.74874%0.735SS**THydrogen-bonded Turntrans-76-9.8173.6-164.8130.230.400113Y12Y12-Q14 PolarHBondContact O-N 2.87Å
15E45.3Very low46.4Very low159 Ų159147.9 Ų147.974%0.74374%0.739SS**THydrogen-bonded Turntrans-82.6-17.7-169.8-147.5134161.500114.1N13N13-E15 PolarHBondContact O-N 3.02Å
16T49.8Very low46.3Very low88 Ų88149.2 Ų149.254%0.5474%0.737SS.*THydrogen-bonded Turntrans-79-27.3-179.5490000113.3N13N13-T16 PolarHBondContact O-OG1 3.47Å
17E50.3Low45.8Very low131 Ų131152.9 Ų152.961%0.61275%0.745SS**Hα-helixtrans-74.8-31.6179.9-75-71119.800112.5M19E17-M19 VanDerWaalsContact C-N 3.29Å; E17-M19 PolarHBondContact O-N 3.12Å
18A53.4Low46.1Very low66 Ų66152 Ų15255%0.54574%0.744SS.*Hα-helixtrans-71.3-23.2-178.400000113.4
19M52.1Low46Very low144 Ų144152.6 Ų152.671%0.70974%0.741SS**Hα-helixtrans-86.5-28.2-177.4-136.6-175-71.800112.7E17E17-M19 VanDerWaalsContact C-N 3.29Å; E17-M19 PolarHBondContact O-N 3.12Å
20L55.5Low45.8Very low127 Ų127152 Ų15267%0.66574%0.744SS**Hα-helixtrans-78.9-26.8178.7-79.6167.9000113.3
21L56.2Low45.7Very low130 Ų130151.8 Ų151.868%0.68175%0.748SS**Hα-helixtrans-77.1-26.3179.2-125.3122.7000113.3
22K47.3Very low45.7Very low174 Ų174150.4 Ų150.476%0.75775%0.748SS**Hα-helixtrans-73.8-25.4179.3-83.3178.7175.7175.10114.1
23N44.9Very low45.3Very low134 Ų134148.2 Ų148.272%0.71775%0.75SS**SBendtrans-81.8-16.9178.9-86.2-27.7000113.9
24R48.5Very low45.2Very low218 Ų218148.1 Ų148.182%0.82376%0.76SS**SBendtrans-86.8-15.2-178-166.1179.2-76.2-129.31.7114.1
25L45.3Very low44.7Very low154 Ų154149.8 Ų149.881%0.80677%0.768SS**SBendtrans-89.3-6.1-177.7-134.483.2000114.4
26K41.8Very low44.1Very low187 Ų187146.1 Ų146.181%0.81377%0.772SS**SBendtrans-94.1-11.8-174.8-160.8164.8178.7177.80114.5
27E39.8Very low43.4Very low191 Ų191148.2 Ų148.289%0.89378%0.78SS**SBendtrans-101.58.8-178.2-69.2-141.7121.700115
28A43Very low42.8Very low92 Ų92150.5 Ų150.576%0.7680%0.796SS**SBendtrans-101.215.1-178.800000114.4
29K41.8Very low42Very low194 Ų194151.8 Ų151.884%0.84380%0.801SS**SBendtrans-136.648.4-172.6-164.9148.8179.3156.90114.1
30D36.7Very low41.2Very low159 Ų159155.1 Ų155.185%0.8581%0.811SS**SBendtrans-157.271.9164.6-125.6-48.9000111
31S39.6Very low40.1Very low127 Ų127152.6 Ų152.689%0.88882%0.816SS**  trans-172.272.6163.2-87.40000109.7
32K42Very low38.8Very low191 Ų191155.8 Ų155.883%0.8383%0.825SS**  trans-151.292.7161.6-167.4170.2-171.8172.40106.7
33D32.7Very low38.3Very low159 Ų159154.2 Ų154.285%0.8582%0.824SS**  trans179.9105.6150.9-84.1-28.4000109.7
34S39.1Very low37.8Very low126 Ų126155.6 Ų155.688%0.88182%0.823SS**  trans-173.6103.9142.818.60000109.4
35Q33.7Very low37Very low195 Ų195153.6 Ų153.691%0.91182%0.824SS**  trans-63.2144.2166.6-71.4-174.1-95.500111.2
36G32.5Very low36.5Very low82 Ų82154.5 Ų154.585%0.84582%0.824SS**  trans-156.686.816300000109.1
37N34.8Very low36.2Very low131 Ų131153.6 Ų153.670%0.70182%0.822SS**  trans-107.9116-176.8-155.2-31.5000107.4
38L37.6Very low35.7Very low179 Ų179151.7 Ų151.794%0.93782%0.818SS**  trans-141.5119.4162.2-78.7178.9000109.7
39S38Very low35.5Very low94 Ų94152.1 Ų152.166%0.65782%0.816SS**  trans-80.2156.8-171.8-49.70000114.6
40K35.5Very low35Very low213 Ų213152 Ų15293%0.92682%0.815SS**  128.7127.8128.6-80.3179.6177.2174.70113.7
41G32.3Very low35.3Very low74 Ų74149.7 Ų149.776%0.76381%0.812SS**  trans151.786.5145.900000117.1
42F29Very low35.5Very low198 Ų198149.9 Ų149.987%0.86881%0.81SS**  78.893.3126.7-150.4-98.9000120.8
43L36.6Very low35.6Very low140 Ų140147 Ų14773%0.73381%0.814SS**  trans27.4132.6130.1-132.295.1000121.8
44K33.6Very low35.6Very low163 Ų163143.1 Ų143.171%0.70981%0.812SS**  trans102.687.6137.8-15180.9177.9-178.10117.1
45E32.6Very low35.9Very low177 Ų177143.9 Ų143.983%0.82781%0.806SS**  trans-64.9128.8150.2-171.2169.491.500109.8
46Q33.5Very low36.3Very low173 Ų173143.1 Ų143.181%0.80880%0.804SS**  trans-141.4121.3157.6-159164.64.800108
47Q35.7Very low36.9Very low168 Ų168145.5 Ų145.579%0.78580%0.798SS**  trans-59.5132.8177.8-69.1163.29.600110.3
48D29.4Very low37Very low151 Ų151145.1 Ų145.181%0.80780%0.796SS**  trans-142.1133149.1-103.4-39.6000111F50D48-F50 HydrophobicContact CB-CE2 4.5Å
49S39.7Very low37.5Very low101 Ų101141.5 Ų141.571%0.70678%0.784SS**  trans-80.6120.5-173.2-177.90000110.3
50F30.8Very low37.6Very low191 Ų191144.5 Ų144.584%0.83879%0.788SS**  trans-143.5118.4160.9-72.3-73.8000111.4D48D48-F50 HydrophobicContact CB-CE2 4.5Å
51S41.9Very low38Very low111 Ų111143 Ų14378%0.77678%0.781SS**  trans-69148169.4-60.20000111
52P45.2Very low38.3Very low131 Ų131146.9 Ų146.985%0.85179%0.785SS**  trans-106.4100.4155.321.6-4000109.9
53S42.8Very low39.2Very low130 Ų130148.6 Ų148.691%0.90979%0.785SS**  trans-78.5127.9150.4-89.90000108.1
54G34.4Very low39.4Very low78 Ų78145.5 Ų145.580%0.80479%0.787SS**  trans-166.670.9177.100000109.9
55N44.1Very low40.1Very low141 Ų141144.3 Ų144.375%0.75479%0.788SS**  trans-84116.3165.2-167.137.8000107.8
56M43.3Very low41.1Very low179 Ų179141.1 Ų141.188%0.88279%0.792SS**  trans-147.1107.5150.8-85.5-167.777.500108.6N58M56-N58 PolarHBondContact O-N 3.28Å
57D44.8Very low42.4Very low133 Ų133136.2 Ų136.271%0.71179%0.788SS**  trans-40125160.2-56.9-99000112
58N37.1Very low43.3Very low123 Ų123131 Ų13166%0.65877%0.765SS**  trans-122.977.4154.9-162.414.7000109.8M56 E60M56-N58 PolarHBondContact O-N 3.28Å; N58-E60 PolarHBondContact ND2-OE2 3.1Å; N58-E60 PolarHBondContact O-N 3.12Å; N58-E60 VanDerWaalsContact OD1-CG 3.3Å; N58-E60 WeakPolarHBondContact OD1-CG 3.38Å
59C46.7Very low45.1Very low103 Ų103126.9 Ų126.970%0.69675%0.747SS**  trans-80.476161.7-177.30000108.1K61C59-K61 VanDerWaalsContact C-N 3.26Å; C59-K61 PolarHBondContact O-N 3.27Å
60E40.6Very low46.5Very low156 Ų156128.4 Ų128.473%0.72975%0.747SS**  trans-76.287.3167.1-98.5173.9136.700108.7N58 N62N58-E60 PolarHBondContact ND2-OE2 3.1Å; N58-E60 PolarHBondContact O-N 3.12Å; N58-E60 VanDerWaalsContact OD1-CG 3.3Å; N58-E60 WeakPolarHBondContact OD1-CG 3.38Å; E60-N62 VanDerWaalsContact C-N 3.32Å; E60-N62 PolarHBondContact O-N 3.02Å
61K43.2Very low48.5Very low181 Ų181127.1 Ų127.179%0.78774%0.738SS**  trans-49.499.3158.5-79167.7177.2167.20108.1C59 R63C59-K61 VanDerWaalsContact C-N 3.26Å; C59-K61 PolarHBondContact O-N 3.27Å; K61-R63 PolarHBondContact O-N 3.47Å
62N39Very low50.2Low157 Ų157122.7 Ų122.784%0.8471%0.707SS**  trans-56.2113.6170.1-159.9-11.3000107.3E60 G64E60-N62 VanDerWaalsContact C-N 3.32Å; E60-N62 PolarHBondContact O-N 3.02Å; N62-G64 PolarHBondContact O-N 3.19Å
63R48.4Very low51.9Low234 Ų234121.1 Ų121.188%0.88368%0.684SS**  trans-56.2111.6-178.8-66.2-170-160.6-151.46107.7K61 N65K61-R63 PolarHBondContact O-N 3.47Å; R63-N65 PolarHBondContact O-N 3.09Å
64G41Very low53.8Low74 Ų74120.3 Ų120.376%0.76366%0.661SS**  trans-56.4113172.600000109N62 A66N62-G64 PolarHBondContact O-N 3.19Å; G64-A66 PolarHBondContact O-N 2.77Å
65N47.5Very low56.3Low139 Ų139119.6 Ų119.674%0.74364%0.638SS**  trans-64.3119.2168.8-157.739.7000107R63 G67R63-N65 PolarHBondContact O-N 3.09Å; N65-G67 PolarHBondContact O-N 2.98Å
66A54.3Low58.5Low110 Ų110118.6 Ų118.691%0.90963%0.632SS**THydrogen-bonded Turntrans-73.351-165.500000114.6G64G64-A66 PolarHBondContact O-N 2.77Å
67G60.5Low60.7Low69 Ų69112.9 Ų112.971%0.71161%0.607SS**THydrogen-bonded Turntrans-163.513.3178.500000115.5N65N65-G67 PolarHBondContact O-N 2.98Å
68D54.8Low63Low59 Ų59115.4 Ų115.432%0.31661%0.607SS.*  trans-91.9123.2-177.7-153.325.4000111D70 R74D68-D70 PolarHBondContact O-N 3.5Å; D68-R74 IonicContact OD1-CZ 3.81Å; D68-R74 IonicContact OD1-NE 2.93Å; D68-R74 IonicContact OD1-NH1 3.46Å; D68-R74 PolarHBondContact OD1-NH1 2.97Å; D68-R74 IonicContact OD1-NH2 3.61Å; D68-R74 PolarHBondContact OD1-NH2 3.11Å; D68-R74 IonicContact OD2-CZ 2.72Å; D68-R74 IonicContact OD2-NE 2.85Å; D68-R74 PolarHBondContact OD2-NE 3.23Å; D68-R74 IonicContact OD2-NH1 2.71Å; D68-R74 IonicContact OD2-NH2 2.89Å; D68-R74 PolarHBondContact OD2-NH2 2.78Å
69P66.9Low65.3Low65 Ų65111 Ų11142%0.42258%0.583SS.*  trans-56.8123.8175.8-2231.7000111.2Y71 C72P69-Y71 HydrophobicContact CB-CD1 3.55Å; P69-Y71 HydrophobicContact CB-CE1 3.21Å; P69-Y71 HydrophobicContact CG-CE1 4.14Å; P69-Y71 PolarHBondContact O-N 3.21Å; P69-C72 PolarHBondContact O-N 3.4Å
70D69.9Low67.1Low133 Ų133111.7 Ų111.771%0.71160%0.597SS**THydrogen-bonded Turntrans-68.72.5-167.2-157.315000114.6D68 K91D68-D70 PolarHBondContact O-N 3.5Å; D70-K91 WeakPolarHBondContact O-CD 3.49Å; D70-K91 WeakPolarHBondContact O-CE 3.4Å; D70-K91 PolarHBondContact O-NZ 3.13Å; D70-K91 IonicContact OD1-NZ 3.23Å; D70-K91 PolarHBondContact OD1-NZ 3.17Å
71Y71.8Confident69.2Low164 Ų164111.6 Ų111.664%0.64359%0.594SS**THydrogen-bonded Turntrans-91.4-11.8-178.968.8-95.1000114.4P69 K91P69-Y71 HydrophobicContact CB-CD1 3.55Å; P69-Y71 HydrophobicContact CB-CE1 3.21Å; P69-Y71 HydrophobicContact CG-CE1 4.14Å; P69-Y71 PolarHBondContact O-N 3.21Å; Y71-K91 PolarHBondContact O-N 3.5Å
72C77Confident71.2Confident18 Ų18105.1 Ų105.112%0.12258%0.578CS.*EExtended strand (participates in β ladder)trans-124135.5-176-85.60000114.1P69 I88 L89 K91P69-C72 PolarHBondContact O-N 3.4Å; C72-I88 HydrophobicContact CB-CG2 3.55Å; C72-I88 WeakPolarHBondContact SG-CG2 3.47Å; C72-L89 CarbonylContact C-O 3.59Å; C72-L89 WeakPolarHBondContact CA-O 3.43Å; C72-K91 VanDerWaalsContact C-CG 3.43Å; C72-K91 WeakPolarHBondContact O-CE 3.45Å
73R82.1Confident73.6Confident97 Ų97100 Ų10037%0.36656%0.555SS.*EExtended strand (participates in β ladder)trans-95.1123.9168-177.2178.6-68.3-156.91.2108.1I75 L89 K91 D96R73-I75 HydrophobicContact CG-CG1 4.13Å; R73-L89 PolarHBondContact N-O 3.16Å; R73-L89 PolarHBondContact O-N 3.41Å; R73-K91 HydrophobicContact CB-CG 4.07Å; R73-D96 IonicContact CZ-OD1 2.72Å; R73-D96 IonicContact CZ-OD2 3.73Å; R73-D96 IonicContact NH1-OD1 3.56Å; R73-D96 PolarHBondContact NH1-OD1 2.96Å; R73-D96 IonicContact NH1-OD2 2.76Å; R73-D96 PolarHBondContact NH1-OD2 3.46Å; R73-D96 IonicContact NH2-OD1 3.58Å; R73-D96 IonicContact NH2-OD2 3.82Å; R73-D96 PolarHBondContact NH2-OD2 2.81Å
74R82.6Confident75.5Confident113 Ų11393.7 Ų93.743%0.42654%0.537SS..EExtended strand (participates in β ladder)trans-95119.2174.8-55.9-174.4-50.6-144.3-20.5108.9D68 E86 I88D68-R74 IonicContact OD1-CZ 3.81Å; D68-R74 IonicContact OD1-NE 2.93Å; D68-R74 IonicContact OD1-NH1 3.46Å; D68-R74 PolarHBondContact OD1-NH1 2.97Å; D68-R74 IonicContact OD1-NH2 3.61Å; D68-R74 PolarHBondContact OD1-NH2 3.11Å; D68-R74 IonicContact OD2-CZ 2.72Å; D68-R74 IonicContact OD2-NE 2.85Å; D68-R74 PolarHBondContact OD2-NE 3.23Å; D68-R74 IonicContact OD2-NH1 2.71Å; D68-R74 IonicContact OD2-NH2 2.89Å; D68-R74 PolarHBondContact OD2-NH2 2.78Å; R74-E86 HydrophobicContact CB-CG 4.38Å; R74-E86 WeakPolarHBondContact CB-OE1 3.42Å; R74-E86 WeakPolarHBondContact CD-OE1 3.49Å; R74-E86 IonicContact NE-OE1 2.96Å; R74-E86 PolarHBondContact NE-OE1 3.12Å; R74-I88 HydrophobicContact CG-CG1 4.36Å
75I86.6Confident77.7Confident64 Ų6496.9 Ų96.933%0.32853%0.527SS..EExtended strand (participates in β ladder)trans-112119.6177.7-54.9-177.9000107.4R73 V77 I87 L89 L95R73-I75 HydrophobicContact CG-CG1 4.13Å; I75-V77 HydrophobicContact CG2-CG2 4.23Å; I75-I87 PolarHBondContact N-O 3.43Å; I75-I87 PolarHBondContact O-N 2.96Å; I75-L89 HydrophobicContact CD1-CD1 3.99Å; I75-L89 HydrophobicContact CG1-CD1 4.39Å; I75-L95 HydrophobicContact CD1-CD1 4.16Å
76L90.1Very high79.6Confident119 Ų11995.3 Ų95.362%0.62352%0.515SS*.EExtended strand (participates in β ladder)trans-87114.9175.5-60.7179.7000109I84 R85 E86L76-I84 HydrophobicContact CB-CG2 3.82Å; L76-I84 HydrophobicContact CD1-CG2 4.43Å; L76-I84 HydrophobicContact CD2-CG2 4.17Å; L76-I84 HydrophobicContact CG-CG2 4.35Å; L76-R85 WeakPolarHBondContact CA-O 3.5Å; L76-E86 HydrophobicContact CD2-CB 3.95Å; L76-E86 HydrophobicContact CD2-CG 4.16Å
77V90.3Very high81Confident60 Ų6093.9 Ų93.936%0.36449%0.491SS..EExtended strand (participates in β ladder)trans-103.6124.3176178.80000109I75 R85 I87I75-V77 HydrophobicContact CG2-CG2 4.23Å; V77-R85 PolarHBondContact N-O 3.04Å; V77-R85 PolarHBondContact O-N 3.42Å; V77-I87 HydrophobicContact CB-CD1 4.15Å; V77-I87 HydrophobicContact CG2-CD1 3.42Å; V77-I87 VanDerWaalsContact CG2-CD1 3.42Å; V77-I87 HydrophobicContact CG2-CG1 4Å
78R92.4Very high82Confident185 Ų18595.2 Ų95.270%0.69848%0.481SS*.EExtended strand (participates in β ladder)trans-90.2127.4174.7-173-178-71.5178-2109.8S83R78-S83 CarbonylContact C-O 3.45Å; R78-S83 WeakPolarHBondContact CA-O 3.13Å
79D85.9Confident83.2Confident30 Ų3094.2 Ų94.216%0.1648%0.475CS..PPolyproline II helixtrans-77.1164.9174.6-62.3-38.1000112.2K81 G82 S83 R85D79-K81 HydrophobicContact CB-CG 3.86Å; D79-K81 PolarHBondContact O-N 3.39Å; D79-K81 VanDerWaalsContact O-N 3.13Å; D79-G82 PolarHBondContact O-N 3.33Å; D79-S83 PolarHBondContact N-O 2.94Å; D79-R85 VanDerWaalsContact CG-CZ 3.43Å; D79-R85 VanDerWaalsContact CG-NE 3.28Å; D79-R85 IonicContact OD1-CZ 2.75Å; D79-R85 VanDerWaalsContact OD1-CZ 3.23Å; D79-R85 IonicContact OD1-NE 2.89Å; D79-R85 PolarHBondContact OD1-NE 2.99Å; D79-R85 IonicContact OD1-NH2 3.78Å; D79-R85 PolarHBondContact OD1-NH2 3Å; D79-R85 IonicContact OD2-CZ 3.39Å; D79-R85 IonicContact OD2-NE 2.63Å; D79-R85 PolarHBondContact OD2-NE 3.42Å; D79-R85 IonicContact OD2-NH1 3.6Å; D79-R85 IonicContact OD2-NH2 3.11Å; D79-R85 PolarHBondContact OD2-NH2 3.37Å
80A83.8Confident83.8Confident119 Ų11994.4 Ų94.498%0.98348%0.477SS*.THydrogen-bonded Turntrans-57.7-25.7173.800000114G82A80-G82 VanDerWaalsContact C-N 3.28Å; A80-G82 PolarHBondContact O-N 2.97Å
81K85.8Confident83.6Confident154 Ų15492.2 Ų92.267%0.6746%0.461SS*.THydrogen-bonded Turntrans-845174.460.3173.4179.1174.30114.1D79 S83D79-K81 HydrophobicContact CB-CG 3.86Å; D79-K81 PolarHBondContact O-N 3.39Å; D79-K81 VanDerWaalsContact O-N 3.13Å; K81-S83 VanDerWaalsContact C-N 3.26Å; K81-S83 VanDerWaalsContact CE-OG 3.29Å; K81-S83 WeakPolarHBondContact CE-OG 3.36Å; K81-S83 PolarHBondContact O-N 3.41Å
82G85.8Confident83.3Confident45 Ų4588 Ų8846%0.46447%0.467SS..SBendtrans80-4.6-179.400000115.5D79 A80D79-G82 PolarHBondContact O-N 3.33Å; A80-G82 VanDerWaalsContact C-N 3.28Å; A80-G82 PolarHBondContact O-N 2.97Å
83S88Confident82.9Confident50 Ų5091.8 Ų91.835%0.3549%0.486SS..  trans-68.3138.3174.2-53.60000111.2R78 D79 K81R78-S83 CarbonylContact C-O 3.45Å; R78-S83 WeakPolarHBondContact CA-O 3.13Å; D79-S83 PolarHBondContact N-O 2.94Å; K81-S83 VanDerWaalsContact C-N 3.26Å; K81-S83 VanDerWaalsContact CE-OG 3.29Å; K81-S83 WeakPolarHBondContact CE-OG 3.36Å; K81-S83 PolarHBondContact O-N 3.41Å
84I89.2Confident82.1Confident100 Ų10091.7 Ų91.751%0.51349%0.493SS..EExtended strand (participates in β ladder)trans-98.8125.2176.9-57.3173.2000108.2L76L76-I84 HydrophobicContact CB-CG2 3.82Å; L76-I84 HydrophobicContact CD1-CG2 4.43Å; L76-I84 HydrophobicContact CD2-CG2 4.17Å; L76-I84 HydrophobicContact CG-CG2 4.35Å
85R86.6Confident81.5Confident142 Ų14290.4 Ų90.454%0.53649%0.494SS..EExtended strand (participates in β ladder)trans-111.6138.8173.2-69.1-167.3-102.1-138.23.8110.2L76 V77 D79L76-R85 WeakPolarHBondContact CA-O 3.5Å; V77-R85 PolarHBondContact N-O 3.04Å; V77-R85 PolarHBondContact O-N 3.42Å; D79-R85 VanDerWaalsContact CG-CZ 3.43Å; D79-R85 VanDerWaalsContact CG-NE 3.28Å; D79-R85 IonicContact OD1-CZ 2.75Å; D79-R85 VanDerWaalsContact OD1-CZ 3.23Å; D79-R85 IonicContact OD1-NE 2.89Å; D79-R85 PolarHBondContact OD1-NE 2.99Å; D79-R85 IonicContact OD1-NH2 3.78Å; D79-R85 PolarHBondContact OD1-NH2 3Å; D79-R85 IonicContact OD2-CZ 3.39Å; D79-R85 IonicContact OD2-NE 2.63Å; D79-R85 PolarHBondContact OD2-NE 3.42Å; D79-R85 IonicContact OD2-NH1 3.6Å; D79-R85 IonicContact OD2-NH2 3.11Å; D79-R85 PolarHBondContact OD2-NH2 3.37Å
86E86.9Confident80.5Confident105 Ų10592.4 Ų92.449%0.49151%0.505SS..EExtended strand (participates in β ladder)trans-91.2126.8175.9-177.9169.2-129.800110.5R74 L76 I88R74-E86 HydrophobicContact CB-CG 4.38Å; R74-E86 WeakPolarHBondContact CB-OE1 3.42Å; R74-E86 WeakPolarHBondContact CD-OE1 3.49Å; R74-E86 IonicContact NE-OE1 2.96Å; R74-E86 PolarHBondContact NE-OE1 3.12Å; L76-E86 HydrophobicContact CD2-CB 3.95Å; L76-E86 HydrophobicContact CD2-CG 4.16Å; E86-I88 HydrophobicContact CG-CG1 4.1Å
87I85Confident79.6Confident80 Ų8094.8 Ų94.841%0.4151%0.506SS..EExtended strand (participates in β ladder)trans-112.5120171.9-46.8-175.8000108I75 V77 L89I75-I87 PolarHBondContact N-O 3.43Å; I75-I87 PolarHBondContact O-N 2.96Å; V77-I87 HydrophobicContact CB-CD1 4.15Å; V77-I87 HydrophobicContact CG2-CD1 3.42Å; V77-I87 VanDerWaalsContact CG2-CD1 3.42Å; V77-I87 HydrophobicContact CG2-CG1 4Å; I87-L89 HydrophobicContact CB-CD1 4.1Å; I87-L89 HydrophobicContact CG2-CD1 3.44Å; I87-L89 VanDerWaalsContact CG2-CD1 3.44Å; I87-L89 HydrophobicContact CG2-CG 4.49Å
88I81.2Confident78.7Confident98 Ų9897.4 Ų97.450%0.50352%0.524SS..EExtended strand (participates in β ladder)trans-99.5112.6179.7-53.9179.8000108C72 R74 E86C72-I88 HydrophobicContact CB-CG2 3.55Å; C72-I88 WeakPolarHBondContact SG-CG2 3.47Å; R74-I88 HydrophobicContact CG-CG1 4.36Å; E86-I88 HydrophobicContact CG-CG1 4.1Å
89L80.4Confident78Confident37 Ų3797.9 Ų97.919%0.19453%0.531CS..EExtended strand (participates in β ladder)trans-108.4138.2174.5-7388.5000109.6C72 R73 I75 I87 K91 L93 L95C72-L89 CarbonylContact C-O 3.59Å; C72-L89 WeakPolarHBondContact CA-O 3.43Å; R73-L89 PolarHBondContact N-O 3.16Å; R73-L89 PolarHBondContact O-N 3.41Å; I75-L89 HydrophobicContact CD1-CD1 3.99Å; I75-L89 HydrophobicContact CG1-CD1 4.39Å; I87-L89 HydrophobicContact CB-CD1 4.1Å; I87-L89 HydrophobicContact CG2-CD1 3.44Å; I87-L89 VanDerWaalsContact CG2-CD1 3.44Å; I87-L89 HydrophobicContact CG2-CG 4.49Å; L89-K91 PolarHBondContact O-N 2.88Å; L89-L93 HydrophobicContact CD2-CD1 4.32Å; L89-L95 HydrophobicContact CB-CD1 4.49Å; L89-L95 HydrophobicContact CD2-CD1 3.75Å; L89-L95 HydrophobicContact CD2-CD2 4.28Å; L89-L95 HydrophobicContact CD2-CG 4.5Å
90P77.8Confident77.4Confident70 Ų70107.2 Ų107.246%0.45556%0.564SS.*EExtended strand (participates in β ladder)trans-56.1131.1167.8-20.229.9000110.1G92 L93P90-G92 PolarHBondContact O-N 3.46Å; P90-G92 VanDerWaalsContact O-N 3.11Å; P90-L93 HydrophobicContact CB-CG 4.38Å; P90-L93 HydrophobicContact CG-CD1 4.39Å; P90-L93 HydrophobicContact CG-CG 4.46Å; P90-L93 WeakPolarHBondContact O-CB 3.44Å; P90-L93 PolarHBondContact O-N 3.43Å
91K66.3Low77.1Confident87 Ų87107.7 Ų107.738%0.37856%0.555SS.*THydrogen-bonded Turntrans-63.1-17-179.8-64.2-167.2-161.3173.80113.3D70 Y71 C72 R73 L89 L93D70-K91 WeakPolarHBondContact O-CD 3.49Å; D70-K91 WeakPolarHBondContact O-CE 3.4Å; D70-K91 PolarHBondContact O-NZ 3.13Å; D70-K91 IonicContact OD1-NZ 3.23Å; D70-K91 PolarHBondContact OD1-NZ 3.17Å; Y71-K91 PolarHBondContact O-N 3.5Å; C72-K91 VanDerWaalsContact C-CG 3.43Å; C72-K91 WeakPolarHBondContact O-CE 3.45Å; R73-K91 HydrophobicContact CB-CG 4.07Å; L89-K91 PolarHBondContact O-N 2.88Å; K91-L93 VanDerWaalsContact C-N 3.27Å
92G66.1Low77Confident76 Ų76111.6 Ų111.678%0.78457%0.565SS**THydrogen-bonded Turntrans-76.8-8.4172.900000114.5P90 D94P90-G92 PolarHBondContact O-N 3.46Å; P90-G92 VanDerWaalsContact O-N 3.11Å; G92-D94 PolarHBondContact O-N 3.45Å
93L69Low76.9Confident96 Ų96113.5 Ų113.550%0.50357%0.568SS.*SBendtrans-75.9101.9162.8-62-176.6000106.4L89 P90 K91 L95L89-L93 HydrophobicContact CD2-CD1 4.32Å; P90-L93 HydrophobicContact CB-CG 4.38Å; P90-L93 HydrophobicContact CG-CD1 4.39Å; P90-L93 HydrophobicContact CG-CG 4.46Å; P90-L93 WeakPolarHBondContact O-CB 3.44Å; P90-L93 PolarHBondContact O-N 3.43Å; K91-L93 VanDerWaalsContact C-N 3.27Å; L93-L95 WeakPolarHBondContact O-CG 3.39Å; L93-L95 PolarHBondContact O-N 2.87Å
94D65.6Low77.1Confident96 Ų96116.4 Ų116.451%0.51359%0.588SS.*  trans-67.469.1-176.6-163.97.9000110.7G92 D96 R97G92-D94 PolarHBondContact O-N 3.45Å; D94-D96 PolarHBondContact O-N 2.75Å; D94-R97 HydrophobicContact CB-CB 4.02Å; D94-R97 VanDerWaalsContact O-CB 3.28Å; D94-R97 WeakPolarHBondContact O-CB 3.3Å; D94-R97 PolarHBondContact O-N 3.18Å; D94-R97 WeakPolarHBondContact OD1-CA 3.43Å; D94-R97 PolarHBondContact OD1-N 3.42Å; D94-R97 WeakPolarHBondContact OD2-CB 3.33Å; D94-R97 WeakPolarHBondContact OD2-CD 3.41Å; D94-R97 WeakPolarHBondContact OD2-CG 3.48Å; D94-R97 IonicContact OD2-NE 2.95Å
95L68.3Low77.4Confident86 Ų86114.1 Ų114.145%0.4557%0.574SS.*THydrogen-bonded Turntrans-69.2-24.3175.4-62173.8000111.2I75 L89 L93 R97I75-L95 HydrophobicContact CD1-CD1 4.16Å; L89-L95 HydrophobicContact CB-CD1 4.49Å; L89-L95 HydrophobicContact CD2-CD1 3.75Å; L89-L95 HydrophobicContact CD2-CD2 4.28Å; L89-L95 HydrophobicContact CD2-CG 4.5Å; L93-L95 WeakPolarHBondContact O-CG 3.39Å; L93-L95 PolarHBondContact O-N 2.87Å; L95-R97 VanDerWaalsContact C-N 3.32Å
96D66.8Low78Confident105 Ų105110.9 Ų110.956%0.56157%0.571SS**THydrogen-bonded Turntrans-88.2-3.2175.9-63.5-16.5000111.7R73 D94 P98R73-D96 IonicContact CZ-OD1 2.72Å; R73-D96 IonicContact CZ-OD2 3.73Å; R73-D96 IonicContact NH1-OD1 3.56Å; R73-D96 PolarHBondContact NH1-OD1 2.96Å; R73-D96 IonicContact NH1-OD2 2.76Å; R73-D96 PolarHBondContact NH1-OD2 3.46Å; R73-D96 IonicContact NH2-OD1 3.58Å; R73-D96 IonicContact NH2-OD2 3.82Å; R73-D96 PolarHBondContact NH2-OD2 2.81Å; D94-D96 PolarHBondContact O-N 2.75Å; D96-P98 WeakPolarHBondContact O-CD 3.42Å; D96-P98 VanDerWaalsContact O-N 3.16Å
97R70.6Confident78.5Confident170 Ų170109.9 Ų109.964%0.64258%0.58SS**SBendtrans-55.9125.8170.9-151.8167.4-161.6-108.5-3.8107.6D94 L95 K99D94-R97 HydrophobicContact CB-CB 4.02Å; D94-R97 VanDerWaalsContact O-CB 3.28Å; D94-R97 WeakPolarHBondContact O-CB 3.3Å; D94-R97 PolarHBondContact O-N 3.18Å; D94-R97 WeakPolarHBondContact OD1-CA 3.43Å; D94-R97 PolarHBondContact OD1-N 3.42Å; D94-R97 WeakPolarHBondContact OD2-CB 3.33Å; D94-R97 WeakPolarHBondContact OD2-CD 3.41Å; D94-R97 WeakPolarHBondContact OD2-CG 3.48Å; D94-R97 IonicContact OD2-NE 2.95Å; L95-R97 VanDerWaalsContact C-N 3.32Å; R97-K99 PolarHBondContact O-N 3.27Å
98P72Confident79.1Confident114 Ų114112.9 Ų112.974%0.7459%0.593SS**  trans-51114172.3-27.134.6000109D96 R100D96-P98 WeakPolarHBondContact O-CD 3.42Å; D96-P98 VanDerWaalsContact O-N 3.16Å; P98-R100 PolarHBondContact O-N 2.77Å
99K76.1Confident79.9Confident195 Ų195109.9 Ų109.985%0.84858%0.576SS**  trans-57.4111.9174.8-84.7162.3180167.60106.1R97 T101R97-K99 PolarHBondContact O-N 3.27Å; K99-T101 PolarHBondContact O-N 3.29Å
100R73.5Confident80.7Confident227 Ų227111.6 Ų111.686%0.85759%0.585SS**  trans-53.3119.1-179.3-164.5-177-163.6179.95.7107.7P98 R102P98-R100 PolarHBondContact O-N 2.77Å; R100-R102 PolarHBondContact O-N 2.88Å; R100-R102 VanDerWaalsContact O-N 3.12Å
101T77.7Confident81.7Confident128 Ų128115.8 Ų115.879%0.78559%0.593SS**  trans-52.4122.6179.5-54.40000108.9K99 T103K99-T101 PolarHBondContact O-N 3.29Å; T101-T103 PolarHBondContact O-N 3.47Å
102R83.9Confident83.2Confident237 Ų237116.7 Ų116.789%0.89459%0.594SS**  trans-75.8115.3-178.2-159.4176.9-177.2-144.81107.7R100R100-R102 PolarHBondContact O-N 2.88Å; R100-R102 VanDerWaalsContact O-N 3.12Å
103T83.6Confident84.7Confident85 Ų85113.1 Ų113.152%0.52156%0.557SS.*PPolyproline II helixtrans-74126.6173.543.10000110T101T101-T103 PolarHBondContact O-N 3.47Å
104S92.1Very high86.1Confident111 Ų111111 Ų11178%0.77654%0.544SS*.PPolyproline II helixtrans-88.9142.5165.248.70000109.9
105F96.6Very high87.7Confident51 Ų51109.3 Ų109.322%0.22454%0.535CS..PPolyproline II helixtrans-99.2146.9172.2-59.3-54.3000109.4Q109 L110 L137 Q141 W145F105-Q109 HydrophobicContact CB-CB 4.3Å; F105-L110 HydrophobicContact CB-CD2 3.85Å; F105-L110 HydrophobicContact CB-CG 3.93Å; F105-L110 HydrophobicContact CD2-CD2 4.07Å; F105-L110 HydrophobicContact CG-CD2 4.4Å; F105-L137 HydrophobicContact CD1-CD1 4.04Å; F105-L137 HydrophobicContact CD1-CD2 3.87Å; F105-L137 HydrophobicContact CE1-CD1 3.93Å; F105-L137 HydrophobicContact CE1-CD2 3.79Å; F105-Q141 HydrophobicContact CE1-CB 4.33Å; F105-Q141 HydrophobicContact CZ-CB 4.25Å; F105-W145 AromaticContact CD2-CD1 3.71Å; F105-W145 HydrophobicContact CE2-CB 4.4Å; F105-W145 AromaticContact CE2-CD1 3.55Å; F105-W145 HydrophobicContact CE2-CG 4.34Å
106T97.8Very high89.1Confident75 Ų75107.7 Ų107.746%0.4652%0.524SS..PPolyproline II helixtrans-69.9160.917471.10000110.7E108 Q109 L110T106-E108 VanDerWaalsContact C-N 3.27Å; T106-E108 PolarHBondContact O-N 2.88Å; T106-Q109 PolarHBondContact O-N 3.34Å; T106-Q109 VanDerWaalsContact OG1-CG 3.26Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.33Å; T106-Q109 PolarHBondContact OG1-N 2.93Å; T106-Q109 PolarHBondContact OG1-OE1 3.14Å; T106-L110 WeakPolarHBondContact O-CG 3.42Å; T106-L110 PolarHBondContact O-N 3.33Å
107A97.3Very high90.6Very high83 Ų83103 Ų10369%0.68650%0.499SS*.Hα-helixtrans-59.4-39.7177.200000112.1L110 Y111A107-L110 PolarHBondContact O-N 3.01Å; A107-Y111 WeakPolarHBondContact O-CB 3.32Å; A107-Y111 PolarHBondContact O-N 3.07Å
108E97.7Very high91.9Very high144 Ų144102.1 Ų102.167%0.67350%0.502SS*.Hα-helixtrans-63.8-43.9176.8-174.5-178.7176.900112.1T106 L110 Y111 R112T106-E108 VanDerWaalsContact C-N 3.27Å; T106-E108 PolarHBondContact O-N 2.88Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 3.38Å; E108-Y111 PolarHBondContact O-N 3.16Å; E108-R112 WeakPolarHBondContact O-CG 3.38Å; E108-R112 PolarHBondContact O-N 3.12Å
109Q98Very high93.1Very high34 Ų34106.2 Ų106.216%0.15950%0.503CS..Hα-helixtrans-60.6-45.6175.8-74.3170.9-25.500111.2F105 T106 Y111 R112 L113 L135F105-Q109 HydrophobicContact CB-CB 4.3Å; T106-Q109 PolarHBondContact O-N 3.34Å; T106-Q109 VanDerWaalsContact OG1-CG 3.26Å; T106-Q109 WeakPolarHBondContact OG1-CG 3.33Å; T106-Q109 PolarHBondContact OG1-N 2.93Å; T106-Q109 PolarHBondContact OG1-OE1 3.14Å; Q109-Y111 VanDerWaalsContact C-N 3.35Å; Q109-Y111 PolarHBondContact O-N 3.24Å; Q109-R112 PolarHBondContact O-N 2.93Å; Q109-L113 WeakPolarHBondContact O-CB 3.21Å; Q109-L113 WeakPolarHBondContact O-CD1 3.44Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.49Å; Q109-L135 HydrophobicContact CG-CB 4.43Å; Q109-L135 PolarHBondContact NE2-O 3.34Å
110L98.1Very high94Very high73 Ų7399.1 Ų99.138%0.38248%0.477SS..Hα-helixtrans-62.1-42.3177.5-69174.2000112F105 T106 A107 E108 L113 E114F105-L110 HydrophobicContact CB-CD2 3.85Å; F105-L110 HydrophobicContact CB-CG 3.93Å; F105-L110 HydrophobicContact CD2-CD2 4.07Å; F105-L110 HydrophobicContact CG-CD2 4.4Å; T106-L110 WeakPolarHBondContact O-CG 3.42Å; T106-L110 PolarHBondContact O-N 3.33Å; A107-L110 PolarHBondContact O-N 3.01Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-L110 PolarHBondContact O-N 3.38Å; L110-L113 PolarHBondContact O-N 3.03Å; L110-E114 WeakPolarHBondContact O-CB 3.32Å; L110-E114 PolarHBondContact O-N 3.34Å
111Y98.1Very high95.2Very high159 Ų15992.3 Ų92.362%0.62446%0.455SS*.Hα-helixtrans-59.7-49.6177.5173.2-101.8000111.7A107 E108 Q109 L113 E114 M115A107-Y111 WeakPolarHBondContact O-CB 3.32Å; A107-Y111 PolarHBondContact O-N 3.07Å; E108-Y111 PolarHBondContact O-N 3.16Å; Q109-Y111 VanDerWaalsContact C-N 3.35Å; Q109-Y111 PolarHBondContact O-N 3.24Å; Y111-L113 PolarHBondContact O-N 2.92Å; Y111-E114 PolarHBondContact O-N 3.11Å; Y111-M115 WeakPolarHBondContact O-CB 3.02Å; Y111-M115 PolarHBondContact O-N 3.42Å
112R98.2Very high96.1Very high106 Ų10692.6 Ų92.640%0.444%0.443SS..Hα-helixtrans-62.9-42.4177.9-72.3-68.5-141.6149.15.4112.6E108 Q109 E114 M115 E116 L135E108-R112 WeakPolarHBondContact O-CG 3.38Å; E108-R112 PolarHBondContact O-N 3.12Å; Q109-R112 PolarHBondContact O-N 2.93Å; R112-E114 VanDerWaalsContact C-N 3.34Å; R112-M115 PolarHBondContact O-N 3.44Å; R112-E116 PolarHBondContact O-N 3.42Å; R112-L135 HydrophobicContact CB-CD1 4.29Å; R112-L135 HydrophobicContact CB-CD2 3.51Å; R112-L135 HydrophobicContact CB-CG 4.5Å; R112-L135 HydrophobicContact CG-CD2 3.81Å
113L98.4Very high96.7Very high0 Ų081.9 Ų81.90%040%0.404CS..Hα-helixtrans-61.9-41.7176-73.4165.2000111.8Q109 L110 Y111 E116 F117 L131 L135 L137 V142 W145 F146Q109-L113 WeakPolarHBondContact O-CB 3.21Å; Q109-L113 WeakPolarHBondContact O-CD1 3.44Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.49Å; L110-L113 PolarHBondContact O-N 3.03Å; Y111-L113 PolarHBondContact O-N 2.92Å; L113-E116 PolarHBondContact O-N 3.09Å; L113-F117 WeakPolarHBondContact O-CB 3.48Å; L113-F117 PolarHBondContact O-N 3.2Å; L113-L131 HydrophobicContact CD2-CD2 4Å; L113-L131 HydrophobicContact CD2-CG 4.44Å; L113-L135 HydrophobicContact CD1-CD1 4.36Å; L113-L135 HydrophobicContact CD2-CD1 3.66Å; L113-L135 HydrophobicContact CG-CD1 3.6Å; L113-L137 HydrophobicContact CD1-CD1 4.23Å; L113-V142 HydrophobicContact CD2-CG1 4.4Å; L113-W145 HydrophobicContact CB-CD2 3.93Å; L113-W145 HydrophobicContact CB-CE3 3.88Å; L113-W145 HydrophobicContact CB-CH2 3.62Å; L113-W145 HydrophobicContact CB-CZ2 3.62Å; L113-W145 HydrophobicContact CB-CZ3 3.74Å; L113-W145 HydrophobicContact CD1-CD2 3.85Å; L113-W145 HydrophobicContact CD1-CE3 4.47Å; L113-W145 HydrophobicContact CD1-CG 3.85Å; L113-W145 HydrophobicContact CD2-CD2 4.32Å; L113-W145 HydrophobicContact CD2-CE3 4.17Å; L113-W145 HydrophobicContact CG-CD2 4.25Å; L113-W145 HydrophobicContact CG-CE3 4.4Å; L113-F146 HydrophobicContact CD2-CE2 3.92Å
114E98.3Very high97.4Very high51 Ų5182.2 Ų82.224%0.23841%0.406CS..Hα-helixtrans-68.6-41.5178-168.465.8-15500111.9L110 Y111 R112 E116 F117 Q118 W145 R149L110-E114 WeakPolarHBondContact O-CB 3.32Å; L110-E114 PolarHBondContact O-N 3.34Å; Y111-E114 PolarHBondContact O-N 3.11Å; R112-E114 VanDerWaalsContact C-N 3.34Å; E114-E116 VanDerWaalsContact C-N 3.33Å; E114-E116 PolarHBondContact O-N 3.06Å; E114-F117 WeakPolarHBondContact O-CB 3.23Å; E114-F117 PolarHBondContact O-N 2.83Å; E114-F117 VanDerWaalsContact O-N 3.17Å; E114-Q118 WeakPolarHBondContact O-CG 3.34Å; E114-Q118 PolarHBondContact O-N 3.08Å; E114-W145 HydrophobicContact CB-CH2 4.47Å; E114-R149 VanDerWaalsContact CD-NE 3.34Å; E114-R149 IonicContact OE1-CZ 3.83Å; E114-R149 VanDerWaalsContact OE1-CZ 3.32Å; E114-R149 IonicContact OE1-NE 3.11Å; E114-R149 PolarHBondContact OE1-NE 3.02Å; E114-R149 IonicContact OE1-NH2 3.63Å; E114-R149 PolarHBondContact OE1-NH2 3.02Å; E114-R149 WeakPolarHBondContact OE2-CD 3.43Å; E114-R149 IonicContact OE2-CZ 3.77Å; E114-R149 IonicContact OE2-NE 4Å; E114-R149 PolarHBondContact OE2-NE 3.1Å; E114-R149 IonicContact OE2-NH2 2.99Å
115M98.1Very high97.6Very high62 Ų6278.8 Ų78.831%0.30539%0.387SS..Hα-helixtrans-59.2-45175.4-175.7-174.368.900111.2Y111 R112 F117 Q118 R119Y111-M115 WeakPolarHBondContact O-CB 3.02Å; Y111-M115 PolarHBondContact O-N 3.42Å; R112-M115 PolarHBondContact O-N 3.44Å; M115-F117 VanDerWaalsContact C-N 3.35Å; M115-Q118 PolarHBondContact O-N 3.14Å; M115-R119 PolarHBondContact O-N 2.93Å
116E98Very high97.6Very high51 Ų5187 Ų8724%0.23842%0.417CS..Hα-helixtrans-67.2-38.1175.8-16164-116.300111.4R112 L113 E114 Q118 R119 C120 V123 L131 F146R112-E116 PolarHBondContact O-N 3.42Å; L113-E116 PolarHBondContact O-N 3.09Å; E114-E116 VanDerWaalsContact C-N 3.33Å; E114-E116 PolarHBondContact O-N 3.06Å; E116-Q118 VanDerWaalsContact C-N 3.28Å; E116-Q118 PolarHBondContact O-N 3.34Å; E116-R119 WeakPolarHBondContact O-CB 3.29Å; E116-R119 PolarHBondContact O-N 3.15Å; E116-R119 IonicContact OE1-NE 3.38Å; E116-C120 PolarHBondContact O-N 3.16Å; E116-V123 HydrophobicContact CG-CG1 4.3Å; E116-L131 HydrophobicContact CB-CD1 4.49Å; E116-L131 HydrophobicContact CB-CD2 4.21Å; E116-L131 HydrophobicContact CG-CD2 4.06Å; E116-F146 HydrophobicContact CB-CZ 4.3Å; E116-F146 HydrophobicContact CG-CZ 4.4Å
117F98.2Very high97.6Very high6 Ų688.7 Ų88.73%0.02642%0.42CS..Hα-helixtrans-60.6-36.5176.9-173.1-99.4000113.2L113 E114 M115 R119 C120 Q121 W145 F146 R149 R150L113-F117 WeakPolarHBondContact O-CB 3.48Å; L113-F117 PolarHBondContact O-N 3.2Å; E114-F117 WeakPolarHBondContact O-CB 3.23Å; E114-F117 PolarHBondContact O-N 2.83Å; E114-F117 VanDerWaalsContact O-N 3.17Å; M115-F117 VanDerWaalsContact C-N 3.35Å; F117-R119 VanDerWaalsContact C-N 3.3Å; F117-C120 CarbonylContact O-C 3.54Å; F117-Q121 HydrophobicContact CD2-CB 4.43Å; F117-Q121 HydrophobicContact CE1-CG 4.1Å; F117-Q121 HydrophobicContact CE2-CB 3.86Å; F117-Q121 HydrophobicContact CE2-CG 4.02Å; F117-Q121 HydrophobicContact CZ-CB 4.06Å; F117-Q121 HydrophobicContact CZ-CG 3.78Å; F117-W145 HydrophobicContact CB-CH2 4.22Å; F117-W145 HydrophobicContact CB-CZ3 4.04Å; F117-W145 HydrophobicContact CD2-CZ3 4.32Å; F117-W145 HydrophobicContact CG-CZ3 4.38Å; F117-F146 HydrophobicContact CB-CE1 4.26Å; F117-F146 AromaticContact CD2-CD1 3.78Å; F117-F146 HydrophobicContact CD2-CD1 3.78Å; F117-F146 AromaticContact CD2-CE1 3.85Å; F117-F146 HydrophobicContact CD2-CE1 3.85Å; F117-F146 HydrophobicContact CE2-CD1 4.4Å; F117-R149 HydrophobicContact CD1-CG 3.72Å; F117-R149 HydrophobicContact CD2-CB 4.22Å; F117-R149 HydrophobicContact CD2-CG 3.65Å; F117-R149 HydrophobicContact CE1-CG 3.71Å; F117-R149 HydrophobicContact CE2-CB 4.07Å; F117-R149 HydrophobicContact CE2-CG 3.64Å; F117-R149 HydrophobicContact CG-CG 3.7Å; F117-R149 HydrophobicContact CZ-CB 4.41Å; F117-R149 HydrophobicContact CZ-CG 3.67Å; F117-R150 HydrophobicContact CE2-CG 3.72Å; F117-R150 HydrophobicContact CZ-CG 3.96Å
118Q97.6Very high97.6Very high152 Ų15287.4 Ų87.471%0.7140%0.397SS*.Hα-helixtrans-65.7-34174.6-72175.8-600112.2E114 M115 E116E114-Q118 WeakPolarHBondContact O-CG 3.34Å; E114-Q118 PolarHBondContact O-N 3.08Å; M115-Q118 PolarHBondContact O-N 3.14Å; E116-Q118 VanDerWaalsContact C-N 3.28Å; E116-Q118 PolarHBondContact O-N 3.34Å
119R96.9Very high97.6Very high201 Ų20183.7 Ų83.776%0.75838%0.384SS*.Hα-helixtrans-76.7-45.4175.7-69.1178.457.777.93.9112.1M115 E116 F117M115-R119 PolarHBondContact O-N 2.93Å; E116-R119 WeakPolarHBondContact O-CB 3.29Å; E116-R119 PolarHBondContact O-N 3.15Å; E116-R119 IonicContact OE1-NE 3.38Å; F117-R119 VanDerWaalsContact C-N 3.3Å
120C96.7Very high97.6Very high45 Ų4585.4 Ų85.430%0.30439%0.392SS..  trans-146.8117.4-178.4-169.10000110.9E116 F117 Y122 F146E116-C120 PolarHBondContact O-N 3.16Å; F117-C120 CarbonylContact O-C 3.54Å; C120-Y122 PolarHBondContact O-N 3.12Å; C120-Y122 PolarHBondContact SG-O 3.41Å; C120-F146 WeakPolarHBondContact O-CE1 3.28Å
121Q97.2Very high97.6Very high84 Ų8482.4 Ų82.439%0.39338%0.376SS..SBendtrans-74.5-8-178.7-64.6177.1-1.500113.7F117 R150 Q153F117-Q121 HydrophobicContact CD2-CB 4.43Å; F117-Q121 HydrophobicContact CE1-CG 4.1Å; F117-Q121 HydrophobicContact CE2-CB 3.86Å; F117-Q121 HydrophobicContact CE2-CG 4.02Å; F117-Q121 HydrophobicContact CZ-CB 4.06Å; F117-Q121 HydrophobicContact CZ-CG 3.78Å; Q121-R150 WeakPolarHBondContact O-CD 3.44Å; Q121-Q153 VanDerWaalsContact NE2-NE2 3.11Å
122Y97.9Very high97.6Very high134 Ų13475 Ų7553%0.52535%0.348SS..  trans-136.298.1-175.3-68-97.9000110.9C120 R150C120-Y122 PolarHBondContact O-N 3.12Å; C120-Y122 PolarHBondContact SG-O 3.41Å; Y122-R150 VanDerWaalsContact CZ-CD 3.43Å; Y122-R150 VanDerWaalsContact CZ-NH1 3.34Å; Y122-R150 PolarHBondContact OH-NH1 3.32Å; Y122-R150 VanDerWaalsContact OH-NH1 3.12Å
123V97Very high97.6Very high13 Ų1377.6 Ų77.68%0.07936%0.358CS..  trans-86.4132174.1-67.20000111.7E116 R128 L131 V142 F146E116-V123 HydrophobicContact CG-CG1 4.3Å; V123-R128 HydrophobicContact CB-CB 4.37Å; V123-R128 HydrophobicContact CG2-CB 4.31Å; V123-L131 HydrophobicContact CG1-CD2 4.48Å; V123-V142 HydrophobicContact CG2-CG1 3.96Å; V123-F146 HydrophobicContact CB-CE1 4.29Å; V123-F146 HydrophobicContact CB-CZ 4.29Å; V123-F146 HydrophobicContact CG1-CD1 4.23Å; V123-F146 HydrophobicContact CG1-CE1 3.52Å; V123-F146 HydrophobicContact CG1-CE2 4.08Å; V123-F146 HydrophobicContact CG1-CZ 3.44Å; V123-F146 VanDerWaalsContact CG1-CZ 3.44Å; V123-F146 HydrophobicContact CG2-CB 4.46Å; V123-F146 HydrophobicContact CG2-CD1 3.85Å; V123-F146 HydrophobicContact CG2-CD2 3.61Å; V123-F146 HydrophobicContact CG2-CE1 3.92Å; V123-F146 HydrophobicContact CG2-CE2 3.69Å; V123-F146 HydrophobicContact CG2-CG 3.7Å; V123-F146 HydrophobicContact CG2-CZ 3.85Å
124V96.7Very high97.6Very high92 Ų9281.7 Ų81.756%0.55838%0.377SS*.  trans-134.7154.6-175.8-64.60000112.1R126 E127V124-R126 PolarHBondContact O-N 2.86Å; V124-R126 VanDerWaalsContact O-N 3.12Å; V124-E127 PolarHBondContact O-N 3.45Å; V124-E127 VanDerWaalsContact O-N 3.1Å
125G96.1Very high97.6Very high38 Ų3879.9 Ų79.939%0.39237%0.369SS..Hα-helixtrans45.2-116.2171.600000113.6E127 R128 T129G125-E127 PolarHBondContact O-N 2.82Å; G125-R128 PolarHBondContact O-N 3.02Å; G125-T129 PolarHBondContact O-N 2.97Å; G125-T129 PolarHBondContact O-OG1 2.93Å; G125-T129 VanDerWaalsContact O-OG1 3.13Å
126R97.1Very high97.5Very high224 Ų22484 Ų8485%0.84539%0.392SS*.Hα-helixtrans-60.3-43.8-176.9-178.3-175.4-78.1-167.7-3.7113.6V124 R128 T129 E130V124-R126 PolarHBondContact O-N 2.86Å; V124-R126 VanDerWaalsContact O-N 3.12Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 2.85Å; R126-T129 PolarHBondContact O-N 2.95Å; R126-E130 PolarHBondContact O-N 3.44Å
127E97.3Very high97.5Very high110 Ų11082.6 Ų82.651%0.51439%0.386SS..Hα-helixtrans-63.3-40-177.2-63.6-180155.100111V124 G125 E130 L131V124-E127 PolarHBondContact O-N 3.45Å; V124-E127 VanDerWaalsContact O-N 3.1Å; G125-E127 PolarHBondContact O-N 2.82Å; E127-E130 PolarHBondContact O-N 3.27Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 PolarHBondContact O-N 3.4Å
128R98.4Very high97.4Very high56 Ų5684.8 Ų84.821%0.21140%0.403CS..Hα-helixtrans-64.1-45.2174.8175.2175.355.8-135.6-6.9111.5V123 G125 R126 E130 A132 E139 V142V123-R128 HydrophobicContact CB-CB 4.37Å; V123-R128 HydrophobicContact CG2-CB 4.31Å; G125-R128 PolarHBondContact O-N 3.02Å; R126-R128 VanDerWaalsContact C-N 3.29Å; R126-R128 PolarHBondContact O-N 2.85Å; R128-E130 VanDerWaalsContact C-N 3.33Å; R128-A132 WeakPolarHBondContact O-CB 3.31Å; R128-A132 PolarHBondContact O-N 3.36Å; R128-E139 HydrophobicContact CG-CB 4.08Å; R128-E139 HydrophobicContact CG-CG 4.13Å; R128-E139 IonicContact CZ-OE2 3.08Å; R128-E139 IonicContact NE-OE2 3.38Å; R128-E139 PolarHBondContact NE-OE2 3.28Å; R128-E139 VanDerWaalsContact NE-OE2 3.11Å; R128-V142 HydrophobicContact CG-CB 4.39Å; R128-V142 HydrophobicContact CG-CG1 4.22Å
129T98.4Very high97.5Very high66 Ų6681.1 Ų81.141%0.40539%0.386SS..Hα-helixtrans-60.9-43.6178.4-54.30000111.1G125 R126 A132 R133 E139G125-T129 PolarHBondContact O-N 2.97Å; G125-T129 PolarHBondContact O-OG1 2.93Å; G125-T129 VanDerWaalsContact O-OG1 3.13Å; R126-T129 PolarHBondContact O-N 2.95Å; T129-A132 PolarHBondContact O-N 2.88Å; T129-R133 WeakPolarHBondContact O-CB 3.41Å; T129-R133 PolarHBondContact O-N 3.48Å; T129-E139 VanDerWaalsContact OG1-CD 3.26Å; T129-E139 PolarHBondContact OG1-OE1 2.89Å
130E98.1Very high97.4Very high71 Ų7175.7 Ų75.733%0.33238%0.375SS..Hα-helixtrans-68.9-43.3-179.8-178.554.2-159.100112.2R126 E127 R128 A132 R133 Q134R126-E130 PolarHBondContact O-N 3.44Å; E127-E130 PolarHBondContact O-N 3.27Å; R128-E130 VanDerWaalsContact C-N 3.33Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.34Å; E130-R133 WeakPolarHBondContact O-CB 3.45Å; E130-R133 PolarHBondContact O-N 3Å; E130-R133 IonicContact OE1-CZ 2.77Å; E130-R133 IonicContact OE1-NE 3.32Å; E130-R133 IonicContact OE1-NH2 3.07Å; E130-R133 PolarHBondContact OE1-NH2 2.78Å; E130-R133 IonicContact OE2-CZ 3.81Å; E130-R133 IonicContact OE2-NE 3.83Å; E130-R133 PolarHBondContact OE2-NE 2.72Å; E130-R133 IonicContact OE2-NH2 2.67Å; E130-Q134 WeakPolarHBondContact O-CG 3.3Å; E130-Q134 PolarHBondContact O-N 3.18Å; E130-Q134 WeakPolarHBondContact OE1-CG 3.26Å; E130-Q134 PolarHBondContact OE1-NE2 2.91Å
131L97.9Very high97.4Very high9 Ų976 Ų765%0.04737%0.372CS..Hα-helixtrans-63-40.4176.3-173.162.8000111.8L113 E116 V123 E127 Q134 L135 V142 F146L113-L131 HydrophobicContact CD2-CD2 4Å; L113-L131 HydrophobicContact CD2-CG 4.44Å; E116-L131 HydrophobicContact CB-CD1 4.49Å; E116-L131 HydrophobicContact CB-CD2 4.21Å; E116-L131 HydrophobicContact CG-CD2 4.06Å; V123-L131 HydrophobicContact CG1-CD2 4.48Å; E127-L131 WeakPolarHBondContact O-CB 3.43Å; E127-L131 PolarHBondContact O-N 3.4Å; L131-Q134 PolarHBondContact O-N 2.9Å; L131-L135 HydrophobicContact CD1-CD1 3.79Å; L131-L135 HydrophobicContact CD1-CG 4.2Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3Å; L131-L135 VanDerWaalsContact O-N 3.1Å; L131-V142 HydrophobicContact CD2-CG1 3.92Å; L131-F146 HydrophobicContact CD2-CE2 3.72Å; L131-F146 HydrophobicContact CD2-CZ 3.99Å
132A98.1Very high97.5Very high4 Ų472 Ų723%0.03335%0.353CS..Hα-helixtrans-59.7-46.217500000111.2R128 T129 E130 L135 N136 L137 E139 V142R128-A132 WeakPolarHBondContact O-CB 3.31Å; R128-A132 PolarHBondContact O-N 3.36Å; T129-A132 PolarHBondContact O-N 2.88Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.34Å; A132-L135 PolarHBondContact O-N 3.36Å; A132-N136 PolarHBondContact O-N 3.14Å; A132-N136 VanDerWaalsContact O-N 3.09Å; A132-L137 CarbonylContact C-O 3.42Å; A132-L137 WeakPolarHBondContact CB-O 3.32Å; A132-L137 PolarHBondContact O-N 3.35Å; A132-L137 VanDerWaalsContact O-O 3.1Å; A132-E139 HydrophobicContact CB-CG 4.05Å; A132-V142 HydrophobicContact CB-CG2 3.93Å
133R98.2Very high97.4Very high160 Ų16072 Ų7260%0.60436%0.356SS*.Hα-helixtrans-62-46.8177.3-167.6-16669.275.52.5112.1T129 E130 L135 N136T129-R133 WeakPolarHBondContact O-CB 3.41Å; T129-R133 PolarHBondContact O-N 3.48Å; E130-R133 WeakPolarHBondContact O-CB 3.45Å; E130-R133 PolarHBondContact O-N 3Å; E130-R133 IonicContact OE1-CZ 2.77Å; E130-R133 IonicContact OE1-NE 3.32Å; E130-R133 IonicContact OE1-NH2 3.07Å; E130-R133 PolarHBondContact OE1-NH2 2.78Å; E130-R133 IonicContact OE2-CZ 3.81Å; E130-R133 IonicContact OE2-NE 3.83Å; E130-R133 PolarHBondContact OE2-NE 2.72Å; E130-R133 IonicContact OE2-NH2 2.67Å; R133-L135 VanDerWaalsContact C-N 3.28Å; R133-L135 PolarHBondContact O-N 3.42Å; R133-N136 PolarHBondContact O-N 3.38Å
134Q97.7Very high97.4Very high87 Ų8774.8 Ų74.841%0.40737%0.372SS..Hα-helixtrans-63.3-33.7-179.5-71.9178.711.400112.9E130 L131E130-Q134 WeakPolarHBondContact O-CG 3.3Å; E130-Q134 PolarHBondContact O-N 3.18Å; E130-Q134 WeakPolarHBondContact OE1-CG 3.26Å; E130-Q134 PolarHBondContact OE1-NE2 2.91Å; L131-Q134 PolarHBondContact O-N 2.9Å
135L97.3Very high97.5Very high13 Ų1371.7 Ų71.77%0.06835%0.351CS..Hα-helixtrans-95.5-0.1-176.8-59.1-178.5000113.9Q109 R112 L113 L131 A132 R133 L137Q109-L135 HydrophobicContact CG-CB 4.43Å; Q109-L135 PolarHBondContact NE2-O 3.34Å; R112-L135 HydrophobicContact CB-CD1 4.29Å; R112-L135 HydrophobicContact CB-CD2 3.51Å; R112-L135 HydrophobicContact CB-CG 4.5Å; R112-L135 HydrophobicContact CG-CD2 3.81Å; L113-L135 HydrophobicContact CD1-CD1 4.36Å; L113-L135 HydrophobicContact CD2-CD1 3.66Å; L113-L135 HydrophobicContact CG-CD1 3.6Å; L131-L135 HydrophobicContact CD1-CD1 3.79Å; L131-L135 HydrophobicContact CD1-CG 4.2Å; L131-L135 HydrophobicContact CG-CD1 3.98Å; L131-L135 WeakPolarHBondContact O-CB 3.43Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.44Å; L131-L135 PolarHBondContact O-N 3Å; L131-L135 VanDerWaalsContact O-N 3.1Å; A132-L135 PolarHBondContact O-N 3.36Å; R133-L135 VanDerWaalsContact C-N 3.28Å; R133-L135 PolarHBondContact O-N 3.42Å; L135-L137 HydrophobicContact CB-CD1 4.02Å; L135-L137 HydrophobicContact CB-CG 3.95Å; L135-L137 HydrophobicContact CD1-CD1 4.37Å; L135-L137 PolarHBondContact O-N 3.05Å
136N97.6Very high97.6Very high147 Ų14770.2 Ų70.279%0.78633%0.334SS*.THydrogen-bonded Turntrans5342.9-171.8-57.6-71.2000112.2A132 R133A132-N136 PolarHBondContact O-N 3.14Å; A132-N136 VanDerWaalsContact O-N 3.09Å; R133-N136 PolarHBondContact O-N 3.38Å
137L96.8Very high97.6Very high22 Ų2263.6 Ų63.612%0.11531%0.312CS..  trans-115.1160.1176.5-62.4-179.1000109.9F105 L113 A132 L135 Q141 V142F105-L137 HydrophobicContact CD1-CD1 4.04Å; F105-L137 HydrophobicContact CD1-CD2 3.87Å; F105-L137 HydrophobicContact CE1-CD1 3.93Å; F105-L137 HydrophobicContact CE1-CD2 3.79Å; L113-L137 HydrophobicContact CD1-CD1 4.23Å; A132-L137 CarbonylContact C-O 3.42Å; A132-L137 WeakPolarHBondContact CB-O 3.32Å; A132-L137 PolarHBondContact O-N 3.35Å; A132-L137 VanDerWaalsContact O-O 3.1Å; L135-L137 HydrophobicContact CB-CD1 4.02Å; L135-L137 HydrophobicContact CB-CG 3.95Å; L135-L137 HydrophobicContact CD1-CD1 4.37Å; L135-L137 PolarHBondContact O-N 3.05Å; L137-Q141 HydrophobicContact CB-CB 4.45Å; L137-V142 HydrophobicContact CB-CG2 4.18Å; L137-V142 HydrophobicContact CD1-CG2 4.47Å
138S97.4Very high97.6Very high53 Ų5363.1 Ų63.137%0.37131%0.313SS..  trans-76.9150.1167.665.10000111.2T140 Q141 V142S138-T140 PolarHBondContact O-N 3.26Å; S138-T140 VanDerWaalsContact O-N 3.11Å; S138-Q141 WeakPolarHBondContact O-CB 3.19Å; S138-Q141 PolarHBondContact O-N 3.46Å; S138-Q141 VanDerWaalsContact OG-CG 3.25Å; S138-Q141 WeakPolarHBondContact OG-CG 3.32Å; S138-Q141 PolarHBondContact OG-N 2.86Å; S138-Q141 PolarHBondContact OG-OE1 2.94Å; S138-V142 PolarHBondContact O-N 3.38Å; S138-V142 VanDerWaalsContact O-N 3.1Å
139E97.8Very high97.6Very high75 Ų7562.5 Ų62.535%0.3531%0.311SS..Hα-helixtrans-54-33.8173.3-71.4-164.5-142.800112.6R128 T129 A132 V142 K143R128-E139 HydrophobicContact CG-CB 4.08Å; R128-E139 HydrophobicContact CG-CG 4.13Å; R128-E139 IonicContact CZ-OE2 3.08Å; R128-E139 IonicContact NE-OE2 3.38Å; R128-E139 PolarHBondContact NE-OE2 3.28Å; R128-E139 VanDerWaalsContact NE-OE2 3.11Å; T129-E139 VanDerWaalsContact OG1-CD 3.26Å; T129-E139 PolarHBondContact OG1-OE1 2.89Å; A132-E139 HydrophobicContact CB-CG 4.05Å; E139-V142 PolarHBondContact O-N 3.43Å; E139-K143 VanDerWaalsContact O-CB 3.31Å; E139-K143 WeakPolarHBondContact O-CB 3.4Å; E139-K143 PolarHBondContact O-N 3.34Å
140T96.8Very high97.6Very high86 Ų8662.1 Ų62.153%0.52830%0.302SS..Hα-helixtrans-66.7-41.1177-62.30000111.5S138 K143 V144S138-T140 PolarHBondContact O-N 3.26Å; S138-T140 VanDerWaalsContact O-N 3.11Å; T140-K143 PolarHBondContact O-N 2.87Å; T140-V144 HydrophobicContact CG2-CG2 4.35Å; T140-V144 WeakPolarHBondContact O-CB 3.32Å; T140-V144 VanDerWaalsContact O-CG2 3.26Å; T140-V144 WeakPolarHBondContact O-CG2 3.38Å; T140-V144 PolarHBondContact O-N 3.11Å
141Q96.8Very high97.5Very high52 Ų5262.5 Ų62.524%0.24331%0.309CS..Hα-helixtrans-64-43.6175.8-75.9163.7-56.800111.4F105 L137 S138 V144 W145F105-Q141 HydrophobicContact CE1-CB 4.33Å; F105-Q141 HydrophobicContact CZ-CB 4.25Å; L137-Q141 HydrophobicContact CB-CB 4.45Å; S138-Q141 WeakPolarHBondContact O-CB 3.19Å; S138-Q141 PolarHBondContact O-N 3.46Å; S138-Q141 VanDerWaalsContact OG-CG 3.25Å; S138-Q141 WeakPolarHBondContact OG-CG 3.32Å; S138-Q141 PolarHBondContact OG-N 2.86Å; S138-Q141 PolarHBondContact OG-OE1 2.94Å; Q141-V144 PolarHBondContact O-N 2.94Å; Q141-W145 WeakPolarHBondContact O-CB 3.35Å; Q141-W145 PolarHBondContact O-N 3.5Å
142V97.8Very high97.4Very high0 Ų067.5 Ų67.50%033%0.331CS..Hα-helixtrans-59.8-49174.5177.80000110.1L113 V123 R128 L131 A132 L137 S138 E139 V144 W145 F146L113-V142 HydrophobicContact CD2-CG1 4.4Å; V123-V142 HydrophobicContact CG2-CG1 3.96Å; R128-V142 HydrophobicContact CG-CB 4.39Å; R128-V142 HydrophobicContact CG-CG1 4.22Å; L131-V142 HydrophobicContact CD2-CG1 3.92Å; A132-V142 HydrophobicContact CB-CG2 3.93Å; L137-V142 HydrophobicContact CB-CG2 4.18Å; L137-V142 HydrophobicContact CD1-CG2 4.47Å; S138-V142 PolarHBondContact O-N 3.38Å; S138-V142 VanDerWaalsContact O-N 3.1Å; E139-V142 PolarHBondContact O-N 3.43Å; V142-V144 PolarHBondContact O-N 3.43Å; V142-W145 PolarHBondContact O-N 2.92Å; V142-F146 HydrophobicContact CG1-CD2 3.81Å; V142-F146 HydrophobicContact CG1-CE2 3.84Å; V142-F146 VanDerWaalsContact O-CD2 3.32Å; V142-F146 WeakPolarHBondContact O-CD2 3.41Å; V142-F146 PolarHBondContact O-N 2.77Å
143K97.2Very high97.3Very high134 Ų13469.5 Ų69.558%0.58334%0.34SS*.Hα-helixtrans-55.3-48.2176.7-179.6-176.4176.4-178.20112.2E139 T140 F146 Q147E139-K143 VanDerWaalsContact O-CB 3.31Å; E139-K143 WeakPolarHBondContact O-CB 3.4Å; E139-K143 PolarHBondContact O-N 3.34Å; T140-K143 PolarHBondContact O-N 2.87Å; K143-F146 PolarHBondContact O-N 3.07Å; K143-Q147 WeakPolarHBondContact O-CB 3.49Å; K143-Q147 PolarHBondContact O-N 2.72Å
144V97.1Very high97.1Very high71 Ų7169.3 Ų69.343%0.4334%0.343SS..Hα-helixtrans-65.9-40.2179.6170.30000110.9T140 Q141 V142 Q147 N148T140-V144 HydrophobicContact CG2-CG2 4.35Å; T140-V144 WeakPolarHBondContact O-CB 3.32Å; T140-V144 VanDerWaalsContact O-CG2 3.26Å; T140-V144 WeakPolarHBondContact O-CG2 3.38Å; T140-V144 PolarHBondContact O-N 3.11Å; Q141-V144 PolarHBondContact O-N 2.94Å; V142-V144 PolarHBondContact O-N 3.43Å; V144-Q147 PolarHBondContact O-N 2.91Å; V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 VanDerWaalsContact O-CG 3.24Å; V144-N148 PolarHBondContact O-N 2.9Å; V144-N148 PolarHBondContact O-ND2 3.46Å
145W97.6Very high96.8Very high28 Ų2871.5 Ų71.511%0.10635%0.351CS..Hα-helixtrans-61.6-48.8176.9-172.997.6000111.2F105 L113 E114 F117 Q141 V142 Q147 N148 R149F105-W145 AromaticContact CD2-CD1 3.71Å; F105-W145 HydrophobicContact CE2-CB 4.4Å; F105-W145 AromaticContact CE2-CD1 3.55Å; F105-W145 HydrophobicContact CE2-CG 4.34Å; L113-W145 HydrophobicContact CB-CD2 3.93Å; L113-W145 HydrophobicContact CB-CE3 3.88Å; L113-W145 HydrophobicContact CB-CH2 3.62Å; L113-W145 HydrophobicContact CB-CZ2 3.62Å; L113-W145 HydrophobicContact CB-CZ3 3.74Å; L113-W145 HydrophobicContact CD1-CD2 3.85Å; L113-W145 HydrophobicContact CD1-CE3 4.47Å; L113-W145 HydrophobicContact CD1-CG 3.85Å; L113-W145 HydrophobicContact CD2-CD2 4.32Å; L113-W145 HydrophobicContact CD2-CE3 4.17Å; L113-W145 HydrophobicContact CG-CD2 4.25Å; L113-W145 HydrophobicContact CG-CE3 4.4Å; E114-W145 HydrophobicContact CB-CH2 4.47Å; F117-W145 HydrophobicContact CB-CH2 4.22Å; F117-W145 HydrophobicContact CB-CZ3 4.04Å; F117-W145 HydrophobicContact CD2-CZ3 4.32Å; F117-W145 HydrophobicContact CG-CZ3 4.38Å; Q141-W145 WeakPolarHBondContact O-CB 3.35Å; Q141-W145 PolarHBondContact O-N 3.5Å; V142-W145 PolarHBondContact O-N 2.92Å; W145-Q147 VanDerWaalsContact C-N 3.31Å; W145-Q147 PolarHBondContact O-N 3.42Å; W145-N148 PolarHBondContact O-N 3.3Å; W145-R149 HydrophobicContact CE3-CB 4.06Å; W145-R149 HydrophobicContact CH2-CB 4.06Å; W145-R149 HydrophobicContact CH2-CG 3.74Å; W145-R149 HydrophobicContact CZ2-CG 4.42Å; W145-R149 HydrophobicContact CZ3-CB 3.81Å; W145-R149 HydrophobicContact CZ3-CG 3.84Å; W145-R149 VanDerWaalsContact O-CB 3.32Å; W145-R149 WeakPolarHBondContact O-CB 3.34Å; W145-R149 PolarHBondContact O-N 2.92Å
146F98.4Very high96.3Very high6 Ų673 Ų733%0.02636%0.359CS..Hα-helixtrans-62.1-38.6177.4-88.5-101.9000112.2L113 E116 F117 C120 V123 L131 V142 K143 R149 R150L113-F146 HydrophobicContact CD2-CE2 3.92Å; E116-F146 HydrophobicContact CB-CZ 4.3Å; E116-F146 HydrophobicContact CG-CZ 4.4Å; F117-F146 HydrophobicContact CB-CE1 4.26Å; F117-F146 AromaticContact CD2-CD1 3.78Å; F117-F146 HydrophobicContact CD2-CD1 3.78Å; F117-F146 AromaticContact CD2-CE1 3.85Å; F117-F146 HydrophobicContact CD2-CE1 3.85Å; F117-F146 HydrophobicContact CE2-CD1 4.4Å; C120-F146 WeakPolarHBondContact O-CE1 3.28Å; V123-F146 HydrophobicContact CB-CE1 4.29Å; V123-F146 HydrophobicContact CB-CZ 4.29Å; V123-F146 HydrophobicContact CG1-CD1 4.23Å; V123-F146 HydrophobicContact CG1-CE1 3.52Å; V123-F146 HydrophobicContact CG1-CE2 4.08Å; V123-F146 HydrophobicContact CG1-CZ 3.44Å; V123-F146 VanDerWaalsContact CG1-CZ 3.44Å; V123-F146 HydrophobicContact CG2-CB 4.46Å; V123-F146 HydrophobicContact CG2-CD1 3.85Å; V123-F146 HydrophobicContact CG2-CD2 3.61Å; V123-F146 HydrophobicContact CG2-CE1 3.92Å; V123-F146 HydrophobicContact CG2-CE2 3.69Å; V123-F146 HydrophobicContact CG2-CG 3.7Å; V123-F146 HydrophobicContact CG2-CZ 3.85Å; L131-F146 HydrophobicContact CD2-CE2 3.72Å; L131-F146 HydrophobicContact CD2-CZ 3.99Å; V142-F146 HydrophobicContact CG1-CD2 3.81Å; V142-F146 HydrophobicContact CG1-CE2 3.84Å; V142-F146 VanDerWaalsContact O-CD2 3.32Å; V142-F146 WeakPolarHBondContact O-CD2 3.41Å; V142-F146 PolarHBondContact O-N 2.77Å; K143-F146 PolarHBondContact O-N 3.07Å; F146-R149 PolarHBondContact O-N 3.43Å; F146-R150 WeakPolarHBondContact O-CG 3.42Å; F146-R150 PolarHBondContact O-N 3.17Å
147Q98.1Very high95.7Very high86 Ų8671.2 Ų71.240%0.40235%0.346SS..Hα-helixtrans-63-46.2174.6-175.158.272.100111.7K143 V144 W145 R149 T151K143-Q147 WeakPolarHBondContact O-CB 3.49Å; K143-Q147 PolarHBondContact O-N 2.72Å; V144-Q147 PolarHBondContact O-N 2.91Å; W145-Q147 VanDerWaalsContact C-N 3.31Å; W145-Q147 PolarHBondContact O-N 3.42Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; Q147-T151 PolarHBondContact O-N 3.46Å; Q147-T151 VanDerWaalsContact O-N 3.14Å; Q147-T151 PolarHBondContact O-OG1 3.3Å; Q147-T151 VanDerWaalsContact O-OG1 3.11Å
148N97.4Very high94.8Very high100 Ų10072.1 Ų72.154%0.53536%0.361SS..Hα-helixtrans-65.2-39.2177.2-72-19.7000111.7V144 W145 T151 K152V144-N148 WeakPolarHBondContact O-CB 3.47Å; V144-N148 VanDerWaalsContact O-CG 3.24Å; V144-N148 PolarHBondContact O-N 2.9Å; V144-N148 PolarHBondContact O-ND2 3.46Å; W145-N148 PolarHBondContact O-N 3.3Å; N148-T151 PolarHBondContact O-N 2.8Å; N148-K152 PolarHBondContact O-N 3.08Å
149R97.7Very high93.7Very high42 Ų4274.4 Ų74.416%0.15836%0.364CS..Hα-helixtrans-63.6-43179.8-176.263.9-170.794.6-3.1111.8E114 F117 W145 F146 Q147 K152 Q153E114-R149 VanDerWaalsContact CD-NE 3.34Å; E114-R149 IonicContact OE1-CZ 3.83Å; E114-R149 VanDerWaalsContact OE1-CZ 3.32Å; E114-R149 IonicContact OE1-NE 3.11Å; E114-R149 PolarHBondContact OE1-NE 3.02Å; E114-R149 IonicContact OE1-NH2 3.63Å; E114-R149 PolarHBondContact OE1-NH2 3.02Å; E114-R149 WeakPolarHBondContact OE2-CD 3.43Å; E114-R149 IonicContact OE2-CZ 3.77Å; E114-R149 IonicContact OE2-NE 4Å; E114-R149 PolarHBondContact OE2-NE 3.1Å; E114-R149 IonicContact OE2-NH2 2.99Å; F117-R149 HydrophobicContact CD1-CG 3.72Å; F117-R149 HydrophobicContact CD2-CB 4.22Å; F117-R149 HydrophobicContact CD2-CG 3.65Å; F117-R149 HydrophobicContact CE1-CG 3.71Å; F117-R149 HydrophobicContact CE2-CB 4.07Å; F117-R149 HydrophobicContact CE2-CG 3.64Å; F117-R149 HydrophobicContact CG-CG 3.7Å; F117-R149 HydrophobicContact CZ-CB 4.41Å; F117-R149 HydrophobicContact CZ-CG 3.67Å; W145-R149 HydrophobicContact CE3-CB 4.06Å; W145-R149 HydrophobicContact CH2-CB 4.06Å; W145-R149 HydrophobicContact CH2-CG 3.74Å; W145-R149 HydrophobicContact CZ2-CG 4.42Å; W145-R149 HydrophobicContact CZ3-CB 3.81Å; W145-R149 HydrophobicContact CZ3-CG 3.84Å; W145-R149 VanDerWaalsContact O-CB 3.32Å; W145-R149 WeakPolarHBondContact O-CB 3.34Å; W145-R149 PolarHBondContact O-N 2.92Å; F146-R149 PolarHBondContact O-N 3.43Å; Q147-R149 VanDerWaalsContact C-N 3.34Å; R149-K152 PolarHBondContact O-N 2.95Å; R149-Q153 WeakPolarHBondContact O-CB 3.44Å; R149-Q153 PolarHBondContact O-N 3.23Å
150R97.6Very high92.4Very high59 Ų5975.3 Ų75.322%0.22337%0.371CS..Hα-helixtrans-62.6-43.7172.9-72.5-171.8-73130.5-0112.2F117 Q121 Y122 F146 K152 Q153 K154F117-R150 HydrophobicContact CE2-CG 3.72Å; F117-R150 HydrophobicContact CZ-CG 3.96Å; Q121-R150 WeakPolarHBondContact O-CD 3.44Å; Y122-R150 VanDerWaalsContact CZ-CD 3.43Å; Y122-R150 VanDerWaalsContact CZ-NH1 3.34Å; Y122-R150 PolarHBondContact OH-NH1 3.32Å; Y122-R150 VanDerWaalsContact OH-NH1 3.12Å; F146-R150 WeakPolarHBondContact O-CG 3.42Å; F146-R150 PolarHBondContact O-N 3.17Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 2.83Å; R150-Q153 PolarHBondContact O-N 2.76Å; R150-K154 PolarHBondContact O-N 3.18Å
151T96.9Very high91.1Very high79 Ų7975.1 Ų75.149%0.48537%0.373SS..Hα-helixtrans-59.5-44.4175.3-58.90000111.5Q147 N148 K154 K155Q147-T151 PolarHBondContact O-N 3.46Å; Q147-T151 VanDerWaalsContact O-N 3.14Å; Q147-T151 PolarHBondContact O-OG1 3.3Å; Q147-T151 VanDerWaalsContact O-OG1 3.11Å; N148-T151 PolarHBondContact O-N 2.8Å; T151-K154 PolarHBondContact O-N 3.49Å; T151-K155 PolarHBondContact O-N 3.46Å
152K95.2Very high89.9Confident113 Ų11379.2 Ų79.249%0.49139%0.393SS..Hα-helixtrans-62.2-47.2175.2-177.6-178.7177-67.30111.3N148 R149 R150 K154 K155 D156N148-K152 PolarHBondContact O-N 3.08Å; R149-K152 PolarHBondContact O-N 2.95Å; R150-K152 VanDerWaalsContact C-N 3.33Å; R150-K152 PolarHBondContact O-N 2.83Å; K152-K154 VanDerWaalsContact C-N 3.3Å; K152-K154 PolarHBondContact O-N 2.71Å; K152-K155 WeakPolarHBondContact O-CB 3.25Å; K152-K155 PolarHBondContact O-N 3.21Å; K152-K155 VanDerWaalsContact O-N 3.08Å; K152-D156 WeakPolarHBondContact CG-OD2 3.34Å; K152-D156 IonicContact NZ-OD2 3.21Å; K152-D156 PolarHBondContact NZ-OD2 3.39Å; K152-D156 PolarHBondContact O-N 2.96Å
153Q95.4Very high88.6Confident47 Ų4784.4 Ų84.422%0.2242%0.42CS..Hα-helixtrans-58.4-41.4178.3-166.3-165.45.200112.1Q121 R149 R150 D156 Q157Q121-Q153 VanDerWaalsContact NE2-NE2 3.11Å; R149-Q153 WeakPolarHBondContact O-CB 3.44Å; R149-Q153 PolarHBondContact O-N 3.23Å; R150-Q153 PolarHBondContact O-N 2.76Å; Q153-D156 PolarHBondContact O-N 3.1Å; Q153-Q157 WeakPolarHBondContact O-CB 3.42Å; Q153-Q157 VanDerWaalsContact O-CG 3.3Å; Q153-Q157 WeakPolarHBondContact O-CG 3.39Å; Q153-Q157 PolarHBondContact O-N 2.96Å; Q153-Q157 PolarHBondContact O-NE2 3.43Å
154K93.9Very high87.4Confident156 Ų15687.2 Ų87.268%0.67843%0.427SS*.Hα-helixtrans-64-41.7175.3-168.9178.874.2170.10111.7R150 T151 K152 G158R150-K154 PolarHBondContact O-N 3.18Å; T151-K154 PolarHBondContact O-N 3.49Å; K152-K154 VanDerWaalsContact C-N 3.3Å; K152-K154 PolarHBondContact O-N 2.71Å; K154-G158 PolarHBondContact O-N 2.78Å; K154-G158 VanDerWaalsContact O-N 3.14Å
155K91.8Very high86.1Confident133 Ų13387.3 Ų87.358%0.57843%0.43SS*.Hα-helixtrans-65-41.1177.2-173.6175.6-175.9176.80111.9T151 K152 G158 K159T151-K155 PolarHBondContact O-N 3.46Å; K152-K155 WeakPolarHBondContact O-CB 3.25Å; K152-K155 PolarHBondContact O-N 3.21Å; K152-K155 VanDerWaalsContact O-N 3.08Å; K155-G158 PolarHBondContact O-N 3.49Å; K155-K159 HydrophobicContact CG-CD 4.39Å; K155-K159 WeakPolarHBondContact O-CG 3.45Å; K155-K159 PolarHBondContact O-N 3.09Å; K155-K159 VanDerWaalsContact O-N 3.16Å
156D87.7Confident85.1Confident45 Ų4589.6 Ų89.624%0.24145%0.447CS..Hα-helixtrans-66.7-45.2179.7-64.5-15.2000110.2K152 Q153 G158 K159 D160K152-D156 WeakPolarHBondContact CG-OD2 3.34Å; K152-D156 IonicContact NZ-OD2 3.21Å; K152-D156 PolarHBondContact NZ-OD2 3.39Å; K152-D156 PolarHBondContact O-N 2.96Å; Q153-D156 PolarHBondContact O-N 3.1Å; D156-G158 VanDerWaalsContact C-N 3.33Å; D156-G158 PolarHBondContact O-N 2.92Å; D156-K159 PolarHBondContact O-N 3.36Å; D156-K159 VanDerWaalsContact O-N 3.15Å; D156-D160 PolarHBondContact O-N 2.93Å
157Q85.4Confident84.1Confident109 Ų10993.9 Ų93.951%0.50947%0.474SS..Hα-helixtrans-59-39.2175-74.2169.689.400113.7Q153 S161Q153-Q157 WeakPolarHBondContact O-CB 3.42Å; Q153-Q157 VanDerWaalsContact O-CG 3.3Å; Q153-Q157 WeakPolarHBondContact O-CG 3.39Å; Q153-Q157 PolarHBondContact O-N 2.96Å; Q153-Q157 PolarHBondContact O-NE2 3.43Å; Q157-S161 WeakPolarHBondContact O-CB 3.19Å; Q157-S161 PolarHBondContact O-N 3.5Å; Q157-S161 VanDerWaalsContact O-N 3.09Å; Q157-S161 PolarHBondContact O-OG 3.41Å
158G77.1Confident83.2Confident41 Ų4193.7 Ų93.742%0.42348%0.482SS..Hα-helixtrans-65.2-41.3176.200000112.5K154 K155 D156 S161 E162K154-G158 PolarHBondContact O-N 2.78Å; K154-G158 VanDerWaalsContact O-N 3.14Å; K155-G158 PolarHBondContact O-N 3.49Å; D156-G158 VanDerWaalsContact C-N 3.33Å; D156-G158 PolarHBondContact O-N 2.92Å; G158-S161 PolarHBondContact O-N 3.3Å; G158-E162 PolarHBondContact O-N 3.36Å; G158-E162 VanDerWaalsContact O-N 3.12Å
159K75.3Confident82.2Confident100 Ų10094.9 Ų94.944%0.43548%0.484SS..Hα-helixtrans-70-41.6177.3-69.9169.8170.2-168.90112.8K155 D156 S161 E162 L163K155-K159 HydrophobicContact CG-CD 4.39Å; K155-K159 WeakPolarHBondContact O-CG 3.45Å; K155-K159 PolarHBondContact O-N 3.09Å; K155-K159 VanDerWaalsContact O-N 3.16Å; D156-K159 PolarHBondContact O-N 3.36Å; D156-K159 VanDerWaalsContact O-N 3.15Å; K159-S161 PolarHBondContact O-N 3.02Å; K159-E162 PolarHBondContact O-N 3.19Å; K159-L163 WeakPolarHBondContact O-CB 3.43Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.36Å; K159-L163 PolarHBondContact O-N 2.89Å
160D69.9Low81.7Confident95 Ų9596.5 Ų96.551%0.50850%0.499SS..Hα-helixtrans-61.7-36.3175.7-87.7-61.1000110.9D156 R164D156-D160 PolarHBondContact O-N 2.93Å; D160-R164 WeakPolarHBondContact O-CB 3.1Å; D160-R164 WeakPolarHBondContact O-CG 3.49Å; D160-R164 PolarHBondContact O-N 3.4Å
161S69.9Low81Confident81 Ų8196.2 Ų96.257%0.56651%0.509SS*.Hα-helixtrans-66.1-43.2175.4-56.60000112.1Q157 G158 K159 R164 S165Q157-S161 WeakPolarHBondContact O-CB 3.19Å; Q157-S161 PolarHBondContact O-N 3.5Å; Q157-S161 VanDerWaalsContact O-N 3.09Å; Q157-S161 PolarHBondContact O-OG 3.41Å; G158-S161 PolarHBondContact O-N 3.3Å; K159-S161 PolarHBondContact O-N 3.02Å; S161-R164 PolarHBondContact O-N 3.36Å; S161-S165 WeakPolarHBondContact O-CB 3.26Å; S161-S165 PolarHBondContact O-N 2.84Å
162E70.5Confident80.5Confident139 Ų13995 Ų9565%0.6551%0.507SS*.Hα-helixtrans-67.6-45.6176.7-172.8168-176.700112G158 K159 R164 S165 V166G158-E162 PolarHBondContact O-N 3.36Å; G158-E162 VanDerWaalsContact O-N 3.12Å; K159-E162 PolarHBondContact O-N 3.19Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.17Å; E162-S165 WeakPolarHBondContact O-CB 3.37Å; E162-S165 PolarHBondContact O-N 3.46Å; E162-S165 VanDerWaalsContact O-N 3.16Å; E162-V166 WeakPolarHBondContact O-CG2 3.18Å; E162-V166 PolarHBondContact O-N 3.37Å
163L70.4Confident80.1Confident108 Ų10893 Ų9357%0.56551%0.505SS*.Hα-helixtrans-61.6-40.9174.7-72.5171.5000111.8K159 S165 V166 V167K159-L163 WeakPolarHBondContact O-CB 3.43Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.36Å; K159-L163 PolarHBondContact O-N 2.89Å; L163-S165 VanDerWaalsContact C-N 3.33Å; L163-V166 PolarHBondContact O-N 3.21Å; L163-V167 WeakPolarHBondContact O-CB 3.16Å; L163-V167 VanDerWaalsContact O-CG2 3.23Å; L163-V167 WeakPolarHBondContact O-CG2 3.14Å; L163-V167 PolarHBondContact O-N 3.01Å
164R71.2Confident79.5Confident194 Ų19494.1 Ų94.173%0.73252%0.517SS*.Hα-helixtrans-62.8-39.5174.4-77.4-85.6149.6139.7-8.5111.7D160 S161 E162 S168D160-R164 WeakPolarHBondContact O-CB 3.1Å; D160-R164 WeakPolarHBondContact O-CG 3.49Å; D160-R164 PolarHBondContact O-N 3.4Å; S161-R164 PolarHBondContact O-N 3.36Å; E162-R164 VanDerWaalsContact C-N 3.34Å; E162-R164 PolarHBondContact O-N 3.17Å; R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3.47Å
165S71.3Confident79.2Confident72 Ų7290.4 Ų90.450%0.50351%0.51SS..Hα-helixtrans-62.8-49.9175.4-167.80000111.5S161 E162 L163 V167 S168 E169S161-S165 WeakPolarHBondContact O-CB 3.26Å; S161-S165 PolarHBondContact O-N 2.84Å; E162-S165 WeakPolarHBondContact O-CB 3.37Å; E162-S165 PolarHBondContact O-N 3.46Å; E162-S165 VanDerWaalsContact O-N 3.16Å; L163-S165 VanDerWaalsContact C-N 3.33Å; S165-V167 VanDerWaalsContact C-N 3.35Å; S165-V167 PolarHBondContact O-N 3.37Å; S165-S168 PolarHBondContact O-N 3.26Å; S165-E169 WeakPolarHBondContact O-CB 3.41Å; S165-E169 PolarHBondContact O-N 3.11Å
166V76.4Confident79.1Confident76 Ų7688.1 Ų88.146%0.46151%0.507SS..Hα-helixtrans-63.3-39.8179.9175.40000111.7E162 L163 E169 T170E162-V166 WeakPolarHBondContact O-CG2 3.18Å; E162-V166 PolarHBondContact O-N 3.37Å; L163-V166 PolarHBondContact O-N 3.21Å; V166-E169 PolarHBondContact O-N 3.35Å; V166-T170 WeakPolarHBondContact O-CB 3.18Å; V166-T170 PolarHBondContact O-N 2.77Å; V166-T170 PolarHBondContact O-OG1 3.41Å
167V77.8Confident79Confident97 Ų9790.8 Ų90.859%0.58852%0.521SS*.Hα-helixtrans-65.1-42175.2170.50000111L163 S165 T170 A171L163-V167 WeakPolarHBondContact O-CB 3.16Å; L163-V167 VanDerWaalsContact O-CG2 3.23Å; L163-V167 WeakPolarHBondContact O-CG2 3.14Å; L163-V167 PolarHBondContact O-N 3.01Å; S165-V167 VanDerWaalsContact C-N 3.35Å; S165-V167 PolarHBondContact O-N 3.37Å; V167-T170 PolarHBondContact O-N 2.87Å; V167-A171 VanDerWaalsContact O-CB 3.3Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.83Å
168S77.8Confident79Confident81 Ų8192.9 Ų92.957%0.56652%0.524SS*.Hα-helixtrans-65-40.7177-168.70000112.1R164 S165 A171 A172R164-S168 WeakPolarHBondContact O-CB 3.41Å; R164-S168 PolarHBondContact O-N 3.47Å; S165-S168 PolarHBondContact O-N 3.26Å; S168-A171 PolarHBondContact O-N 2.87Å; S168-A172 WeakPolarHBondContact O-CB 3.42Å; S168-A172 PolarHBondContact O-N 3.2Å
169E77.2Confident79.4Confident125 Ų12595.8 Ų95.858%0.58453%0.529SS*.Hα-helixtrans-67.5-41.8177.1-173.7175.2175.100111.8S165 V166 A172 T173S165-E169 WeakPolarHBondContact O-CB 3.41Å; S165-E169 PolarHBondContact O-N 3.11Å; V166-E169 PolarHBondContact O-N 3.35Å; E169-A172 PolarHBondContact O-N 2.96Å; E169-T173 WeakPolarHBondContact O-CB 3.34Å; E169-T173 PolarHBondContact O-N 2.94Å; E169-T173 PolarHBondContact O-OG1 3.28Å
170T85.9Confident79.7Confident76 Ų7696.3 Ų96.347%0.46654%0.536SS..Hα-helixtrans-63-44.1174.3-56.10000110.7V166 V167 A172 T173 C174V166-T170 WeakPolarHBondContact O-CB 3.18Å; V166-T170 PolarHBondContact O-N 2.77Å; V166-T170 PolarHBondContact O-OG1 3.41Å; V167-T170 PolarHBondContact O-N 2.87Å; T170-A172 PolarHBondContact O-N 2.71Å; T170-T173 PolarHBondContact O-N 3.02Å; T170-C174 PolarHBondContact O-N 3.33Å; T170-C174 PolarHBondContact O-SG 2.95Å
171A84.3Confident79.9Confident53 Ų5399.6 Ų99.644%0.43855%0.549SS..Hα-helixtrans-64.3-38.4177.100000112.6V167 S168 S175V167-A171 VanDerWaalsContact O-CB 3.3Å; V167-A171 WeakPolarHBondContact O-CB 3.46Å; V167-A171 PolarHBondContact O-N 2.83Å; S168-A171 PolarHBondContact O-N 2.87Å; A171-S175 WeakPolarHBondContact O-CB 3.28Å; A171-S175 PolarHBondContact O-N 3.24Å; A171-S175 PolarHBondContact O-OG 3.49Å
172A86.4Confident80.1Confident53 Ų53100.6 Ų100.644%0.43854%0.544SS..Hα-helixtrans-65.6-43.7173.900000111.2S168 E169 T170 S175 V176S168-A172 WeakPolarHBondContact O-CB 3.42Å; S168-A172 PolarHBondContact O-N 3.2Å; E169-A172 PolarHBondContact O-N 2.96Å; T170-A172 PolarHBondContact O-N 2.71Å; A172-S175 WeakPolarHBondContact O-CB 3.48Å; A172-S175 PolarHBondContact O-N 2.88Å; A172-S175 VanDerWaalsContact O-N 3.14Å; A172-V176 WeakPolarHBondContact O-CG2 2.9Å; A172-V176 PolarHBondContact O-N 3.44Å
173T86.3Confident79.6Confident73 Ų7397 Ų9745%0.44855%0.545SS..Hα-helixtrans-60.8-47.4176.6-55.20000111.3E169 T170 S175 V176 L177E169-T173 WeakPolarHBondContact O-CB 3.34Å; E169-T173 PolarHBondContact O-N 2.94Å; E169-T173 PolarHBondContact O-OG1 3.28Å; T170-T173 PolarHBondContact O-N 3.02Å; T173-S175 VanDerWaalsContact C-N 3.26Å; T173-S175 PolarHBondContact O-N 3.12Å; T173-V176 PolarHBondContact O-N 3.39Å; T173-L177 HydrophobicContact CG2-CD1 4.17Å; T173-L177 HydrophobicContact CG2-CG 4.48Å; T173-L177 VanDerWaalsContact O-CG 3.32Å; T173-L177 WeakPolarHBondContact O-CG 3.44Å; T173-L177 PolarHBondContact O-N 2.75Å
174C83.3Confident79Confident70 Ų70101.6 Ų101.647%0.47356%0.555SS.*Hα-helixtrans-59.8-37.7174.9-69.90000112.1T170 R178T170-C174 PolarHBondContact O-N 3.33Å; T170-C174 PolarHBondContact O-SG 2.95Å; C174-R178 PolarHBondContact O-N 2.63Å
175S88.1Confident78.3Confident77 Ų7799 Ų9954%0.53856%0.555SS.*Hα-helixtrans-65.6-43.7177.5-580000111.7A171 A172 T173 R178 L179A171-S175 WeakPolarHBondContact O-CB 3.28Å; A171-S175 PolarHBondContact O-N 3.24Å; A171-S175 PolarHBondContact O-OG 3.49Å; A172-S175 WeakPolarHBondContact O-CB 3.48Å; A172-S175 PolarHBondContact O-N 2.88Å; A172-S175 VanDerWaalsContact O-N 3.14Å; T173-S175 VanDerWaalsContact C-N 3.26Å; T173-S175 PolarHBondContact O-N 3.12Å; S175-R178 PolarHBondContact O-N 2.89Å; S175-L179 PolarHBondContact O-N 2.83Å; S175-L179 VanDerWaalsContact O-N 3.16Å
176V88.4Confident77.3Confident85 Ų85103.5 Ų103.552%0.51557%0.572SS.*Hα-helixtrans-63.8-46.1175.71720000111.2A172 T173 R178 L179 L180A172-V176 WeakPolarHBondContact O-CG2 2.9Å; A172-V176 PolarHBondContact O-N 3.44Å; T173-V176 PolarHBondContact O-N 3.39Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 3.38Å; V176-L179 WeakPolarHBondContact O-CB 3.29Å; V176-L179 PolarHBondContact O-N 2.67Å; V176-L180 HydrophobicContact CG1-CD1 4.03Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CG 3.43Å; V176-L180 PolarHBondContact O-N 2.95Å
177L87.1Confident75.9Confident102 Ų102105.9 Ų105.953%0.53459%0.587SS.*Hα-helixtrans-60.1-42.8178.5-69.9174.3000111.9T173 L179 L180 E181T173-L177 HydrophobicContact CG2-CD1 4.17Å; T173-L177 HydrophobicContact CG2-CG 4.48Å; T173-L177 VanDerWaalsContact O-CG 3.32Å; T173-L177 WeakPolarHBondContact O-CG 3.44Å; T173-L177 PolarHBondContact O-N 2.75Å; L177-L179 VanDerWaalsContact C-N 3.29Å; L177-L179 PolarHBondContact O-N 3.21Å; L177-L180 PolarHBondContact O-N 3.37Å; L177-E181 WeakPolarHBondContact O-CB 3.06Å; L177-E181 PolarHBondContact O-N 3.22Å
178R83.4Confident74.5Confident153 Ų153106.6 Ų106.658%0.57759%0.593SS**Hα-helixtrans-59.4-38.5172.8-100.3-175.362.394.5-4112.9C174 S175 V176 Q182C174-R178 PolarHBondContact O-N 2.63Å; S175-R178 PolarHBondContact O-N 2.89Å; V176-R178 VanDerWaalsContact C-N 3.34Å; V176-R178 PolarHBondContact O-N 3.38Å; R178-Q182 VanDerWaalsContact NH2-NE2 3.12Å; R178-Q182 WeakPolarHBondContact O-CB 3.5Å; R178-Q182 WeakPolarHBondContact O-CG 3.49Å; R178-Q182 PolarHBondContact O-N 2.91Å; R178-Q182 VanDerWaalsContact O-N 3.12Å
179L85.9Confident73.2Confident101 Ų101109 Ų10953%0.52961%0.608SS.*Hα-helixtrans-71-36.8-178.6-154.172.7000111.8S175 V176 L177S175-L179 PolarHBondContact O-N 2.83Å; S175-L179 VanDerWaalsContact O-N 3.16Å; V176-L179 WeakPolarHBondContact O-CB 3.29Å; V176-L179 PolarHBondContact O-N 2.67Å; L177-L179 VanDerWaalsContact C-N 3.29Å; L177-L179 PolarHBondContact O-N 3.21Å
180L83.1Confident71.4Confident111 Ų111106.2 Ų106.258%0.58161%0.612SS**Hα-helixtrans-69.6-42.2174.6-66.6174.1000111.6V176 L177 Q182 G183V176-L180 HydrophobicContact CG1-CD1 4.03Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 WeakPolarHBondContact O-CG 3.43Å; V176-L180 PolarHBondContact O-N 2.95Å; L177-L180 PolarHBondContact O-N 3.37Å; L180-Q182 PolarHBondContact O-N 3.37Å; L180-G183 PolarHBondContact O-N 3.13Å; L180-G183 VanDerWaalsContact O-N 3.09Å
181E73.4Confident69.7Low165 Ų165111 Ų11177%0.77163%0.634SS**Hα-helixtrans-61.1-33.3175.5-174.1178.1-155.800112.2L177 G183L177-E181 WeakPolarHBondContact O-CB 3.06Å; L177-E181 PolarHBondContact O-N 3.22Å; E181-G183 PolarHBondContact O-N 3.41Å
182Q73.3Confident67.9Low101 Ų101114.6 Ų114.647%0.47265%0.653SS.*THydrogen-bonded Turntrans-75.64.7176.5-72172.68.900114.4R178 L180 R184R178-Q182 VanDerWaalsContact NH2-NE2 3.12Å; R178-Q182 WeakPolarHBondContact O-CB 3.5Å; R178-Q182 WeakPolarHBondContact O-CG 3.49Å; R178-Q182 PolarHBondContact O-N 2.91Å; R178-Q182 VanDerWaalsContact O-N 3.12Å; L180-Q182 PolarHBondContact O-N 3.37Å; Q182-R184 VanDerWaalsContact C-N 3.26Å; Q182-R184 PolarHBondContact O-N 2.79Å
183G60.7Low65.7Low64 Ų64115 Ų11566%0.6666%0.662SS**THydrogen-bonded Turntrans62.928.5169.100000114.4L180 E181L180-G183 PolarHBondContact O-N 3.13Å; L180-G183 VanDerWaalsContact O-N 3.09Å; E181-G183 PolarHBondContact O-N 3.41Å
184R58.3Low63.6Low204 Ų204119.9 Ų119.977%0.7768%0.684SS**  trans-97.118.5-173.1-86-78176.3161.6-0.9115.5Q182Q182-R184 VanDerWaalsContact C-N 3.26Å; Q182-R184 PolarHBondContact O-N 2.79Å
185L56.3Low61.9Low141 Ų141123.9 Ų123.974%0.73870%0.7SS**SBendtrans-144.272.7168.7-70.9-177.8000112.5
186L51Low60.1Low166 Ų166126.4 Ų126.487%0.86972%0.715SS**SBendtrans-156.966.9143.6-78.7-170.2000108.8
187T45.3Very low57.9Low126 Ų126129.9 Ų129.977%0.77373%0.725SS**  trans-146.4103.5156.9-37.70000108.1
188P50Low55.3Low111 Ų111131.3 Ų131.372%0.72174%0.743SS**  trans-59.4132.6160.8-6.721.4000106.7G190P188-G190 VanDerWaalsContact C-N 3.32Å; P188-G190 PolarHBondContact O-N 3.27Å
189P49.7Very low53Low133 Ų133126.7 Ų126.786%0.86474%0.743SS**  trans-6399.5170.9-16.629.7000108.3L191P189-L191 PolarHBondContact O-N 3.46Å
190G39.1Very low50.7Low66 Ų66127.9 Ų127.968%0.6876%0.759SS**  trans-68.3126.2173.600000110.3P188P188-G190 VanDerWaalsContact C-N 3.32Å; P188-G190 PolarHBondContact O-N 3.27Å
191L49.8Very low48.5Very low176 Ų176126.6 Ų126.692%0.92176%0.764SS**  trans-50.8131.9147.5-82.3144000109.4P189P189-L191 PolarHBondContact O-N 3.46Å
192P46.8Very low46.9Very low128 Ų128126.2 Ų126.283%0.83177%0.767SS**  -147.3162.6101.936.7-20000111.1
193G39.9Very low45.3Very low62 Ų62132.4 Ų132.464%0.63979%0.786SS**  cis169.6142.88.400000106.9
194L42.9Very low45.2Very low175 Ų175134.8 Ų134.892%0.91679%0.79SS**  trans62.5118.3152.3-50.4-175.7000121.3
195L47.6Very low45Very low154 Ų154130.5 Ų130.581%0.80679%0.788SS**  trans-21.2159.3154.5-71.3158.1000117.5
196P50.2Low44.1Very low131 Ų131128.7 Ų128.785%0.85179%0.787SS**  -131146.298.717.12.9000115.5
197H41.3Very low44Very low157 Ų157128.6 Ų128.673%0.72779%0.786SS**  trans-65.3143.4178176.389.9000114.7
198C34Very low43.6Very low133 Ų133127.5 Ų127.590%0.89979%0.79SS**  trans-176.5128.4144.5-76.60000105.7
199G35.2Very low43.2Very low56 Ų56130.5 Ų130.558%0.57780%0.797SS**  cis175.3138.4-1.700000106.9
200S37.1Very low43.9Very low125 Ų125128.8 Ų128.887%0.87479%0.785SS**  trans55.8120.7152.7-59.20000121.1
201A37.1Very low44.8Very low84 Ų84131.5 Ų131.569%0.69479%0.791SS**  165.5121.578.700000113.5
202L39Very low44.4Very low158 Ų158130.9 Ų130.983%0.82779%0.788SS**  65.9111.7128.2-56.5174.5000122.8
203R40.5Very low44.7Very low231 Ų231131 Ų13187%0.87279%0.789SS**  trans94.7129.2133.1-74.5-177.1104-177.65.7121
204P58.2Low44.6Very low113 Ų113132 Ų13273%0.73479%0.791SS**  trans-90.9179.9163.344.3-36000109.5
205P53.7Low44.4Very low114 Ų114129.6 Ų129.674%0.7478%0.783SS**  -160.5-179.95543-18.3000120
206S38.5Very low44Very low103 Ų103128.3 Ų128.372%0.7278%0.782SS**  trans69.4119.3139.8-70.70000125.1
207I48Very low43.4Very low165 Ų165126.7 Ų126.785%0.84677%0.774SS**  34.5119121.6-50.8173.4000118.3
208A36.4Very low43.2Very low103 Ų103125.3 Ų125.385%0.85178%0.782SS**  trans-164.8135.3137.600000111.6
209M41.8Very low43.3Very low174 Ų174122 Ų12286%0.85777%0.77SS**  trans-111.6-179.3167.3-146.5-174.7106.800108
210P65.3Low43.5Very low97 Ų97126 Ų12663%0.6378%0.783SS**  -93.8-167.4-112.540.8-23.3000113.9
211P57Low43.5Very low123 Ų123126.3 Ų126.380%0.79978%0.78SS**  -153.7177.793.836.9-15.2000117.4
212L42.1Very low43.5Very low162 Ų162127.2 Ų127.285%0.84879%0.787SS**  trans-52.7174177-64.4152000115.9
213P53.7Low43.4Very low131 Ų131123.1 Ų123.185%0.85178%0.783SS**  -134.4142.6119.234.6-22.2000117.6
214A36.3Very low43.4Very low84 Ų84119.8 Ų119.869%0.69478%0.782SS**  trans-39.8138159.800000120.9
215V39.8Very low42.4Very low124 Ų124122.4 Ų122.475%0.75278%0.784SS**  31.8132.8127.445.70000122.8
216T39.4Very low42Very low127 Ų127122.1 Ų122.178%0.77978%0.784SS**  -175.9107.5121.527.80000110.3
217S36.3Very low42.8Very low97 Ų97122.9 Ų122.968%0.67879%0.787SS**  54.8111.998.162.70000115.4
218S38.9Very low42.9Very low128 Ų128120.3 Ų120.390%0.89578%0.781SS**  172.4156.879.7-70.40000107
219G35.8Very low43Very low63 Ų63121.1 Ų121.165%0.64978%0.781SS**  cis172147-000000108.3
220T39Very low43Very low140 Ų140116.3 Ų116.386%0.85977%0.769SS**  trans53131.1148.321.60000120.3
221V37.8Very low41.7Very low132 Ų132120.9 Ų120.980%0.878%0.781SS**  cis-164.3154.845.4-75.60000113.1
222A36.6Very low40.7Very low103 Ų103118.3 Ų118.385%0.85178%0.777SS**  trans45.8115.9151.300000120.3
223G36.5Very low40.9Very low71 Ų71120.6 Ų120.673%0.73278%0.78SS**  106.3110.368.800000108.1
224L39.8Very low40.2Very low162 Ų162123.2 Ų123.285%0.84878%0.779SS**  -173.7136.480.5-100.6104.8000110.2
225Q37.8Very low40.2Very low168 Ų168124.8 Ų124.879%0.78578%0.784SS**  trans60.895.2130.4-148.4153.650.300123.2
226S44.7Very low40Very low107 Ų107127.6 Ų127.675%0.74879%0.787SS**  trans67.3152.1132.457.50000124.6
227P54.8Low40.4Very low119 Ų119127.2 Ų127.277%0.77379%0.787SS**  trans-117.3-161.7-146.847.5-33.5000113.2
228P50.5Low41Very low111 Ų111130.6 Ų130.672%0.72179%0.794SS**  cis-141.8170.54.742-21.4000120
229S39.4Very low41.5Very low121 Ų121130 Ų13085%0.84679%0.787SS**  trans69.4104.8145.6-640000121
230A40.5Very low41.8Very low73 Ų73132 Ų13260%0.60379%0.791SS**  trans-123.1159.1158.500000110.7
231H39.8Very low42.1Very low192 Ų192133.4 Ų133.489%0.88979%0.791SS**  trans87.6137.4157.4-47.6-68.5000119
232G35.5Very low42.2Very low69 Ų69135.4 Ų135.471%0.71180%0.797SS**  trans159.566.615100000115.4F234G232-F234 PolarHBondContact O-N 2.83Å
233F44.8Very low42.2Very low210 Ų210136.2 Ų136.292%0.92180%0.796SS**  trans-54.2129.1157-73.5-94.6000110
234F39.2Very low42.3Very low187 Ų187136 Ų13682%0.8279%0.793SS**  trans-142.8113.1155.6-113.9-86.3000109.4G232G232-F234 PolarHBondContact O-N 2.83Å
235S36.4Very low42.3Very low116 Ų116134.6 Ų134.681%0.81179%0.792SS**  trans-89.6133.4174.6-164.60000108.3
236F37.3Very low42.2Very low184 Ų184131.7 Ų131.781%0.80780%0.796SS**  trans-112.7136.6171.6-89.2-84000110.3
237P47.4Very low42Very low119 Ų119132.5 Ų132.577%0.77380%0.797SS**PPolyproline II helixtrans-84.7140.1-177.133-31.9000112.4
238M48.5Very low41.4Very low168 Ų168138.4 Ų138.483%0.82880%0.803SS**PPolyproline II helixtrans-91.4132.7173.5176.7-177.4151.600109.9
239P49.2Very low40.8Very low116 Ų116141.2 Ų141.275%0.75381%0.811SS**PPolyproline II helixtrans-87.4126.4173.331.2-28.8000111.4
240S43.1Very low40.8Very low104 Ų104140.2 Ų140.273%0.72780%0.804SS**PPolyproline II helixtrans-82.4134.6163-55.30000110
241I45Very low40.7Very low170 Ų170141.4 Ų141.487%0.87281%0.808SS**  trans-124.3108.9161.650.5170.6000109.5
242L39.8Very low40.7Very low174 Ų174139.1 Ų139.191%0.91180%0.802SS**  trans-79.9127.8158.7-97.2124.7000107.8
243S35.8Very low41.4Very low119 Ų119141.7 Ų141.783%0.83281%0.806SS**  trans-153.2108.8146.8-167.50000108.5
244G39.1Very low41.2Very low66 Ų66139.5 Ų139.568%0.6880%0.803SS**  trans-77.6146.817100000111.3
245V39.5Very low41.4Very low134 Ų134136.1 Ų136.181%0.81280%0.803SS**  trans-140.1115.9142.3-720000107.4
246A35.6Very low41.6Very low106 Ų106139.1 Ų139.188%0.87681%0.806SS**  trans-74123.3169.600000108.3
247T40.6Very low42Very low124 Ų124135.3 Ų135.376%0.76181%0.808SS**  trans-117.4112.8164.8-33.70000108.3I249T247-I249 PolarHBondContact O-N 2.82Å
248R41.9Very low41.4Very low243 Ų243133 Ų13392%0.91781%0.807SS**  trans-58.2115.1174.4-62.1-99-163.4169.53.7108.7S250R248-S250 PolarHBondContact O-N 2.89Å
249I38.1Very low41.1Very low170 Ų170130.5 Ų130.587%0.87281%0.806SS**  trans-89.4101.8166.2-49.3176.5000106.5T247T247-I249 PolarHBondContact O-N 2.82Å
250S39.4Very low40.9Very low100 Ų100133.2 Ų133.270%0.69981%0.813SS**  trans-62.9132.5171.2-178.90000110R248R248-S250 PolarHBondContact O-N 2.89Å
251S39.3Very low41.2Very low99 Ų99133.3 Ų133.369%0.69282%0.82SS**  trans-56.7129.6159470000110.9
252N38.9Very low41.1Very low144 Ų144128.3 Ų128.377%0.7781%0.811SS**  trans-165132.3140.5-98.4-8.9000110.6
253P49.5Very low41.4Very low122 Ų122125.4 Ų125.479%0.79280%0.796SS**  trans-85.9128.5172.533.6-28.7000109.5
254L40.6Very low41.9Very low165 Ų165127.5 Ų127.586%0.86480%0.797SS**  trans-116.6108.5168.4-72.1174.9000109.3
255S44Very low42.1Very low115 Ų115132 Ų13280%0.80480%0.8SS**  trans-55.5128.2157.3-73.20000109.7
256M40.4Very low42.2Very low180 Ų180132.6 Ų132.689%0.88779%0.794SS**  trans-132.7101.2155.6-98.4-75.8139.300107.6G258M256-G258 PolarHBondContact O-N 2.72Å
257A45.2Very low42.5Very low103 Ų103134.5 Ų134.585%0.85179%0.789SS**  trans-60.9123.1158.600000107.8
258G36.5Very low42.6Very low72 Ų72131.8 Ų131.874%0.74278%0.775SS**  trans-142.791.2176.100000108.7M256 L260M256-G258 PolarHBondContact O-N 2.72Å; G258-L260 PolarHBondContact O-N 2.85Å
259S40.5Very low42.7Very low115 Ų115124 Ų12480%0.80476%0.762SS**  trans-68.6118.1170.1-171.20000108.8
260L45.5Very low43.1Very low172 Ų172126.8 Ų126.890%0.90176%0.762SS**  trans-12590.1158.5-72.8177.4000107.5G258 G262G258-L260 PolarHBondContact O-N 2.85Å; L260-G262 PolarHBondContact O-N 2.96Å; L260-G262 VanDerWaalsContact O-N 3.13Å
261A50.2Low43.3Very low106 Ų106132.1 Ų132.188%0.87677%0.768SS**  trans-62.2105.215900000107.8
262G42.3Very low43.7Very low66 Ų66134.5 Ų134.568%0.6877%0.772SS**  trans-159.580.5-178.900000111.2L260L260-G262 PolarHBondContact O-N 2.96Å; L260-G262 VanDerWaalsContact O-N 3.13Å
263N46.5Very low43.8Very low113 Ų113132.7 Ų132.760%0.60477%0.771SS**  trans37.580.4155.5-155.64.7000118.5H265N263-H265 PolarHBondContact O-N 3.39Å; N263-H265 PolarHBondContact OD1-N 3.03Å
264L45.2Very low43.5Very low163 Ų163132.3 Ų132.385%0.85377%0.771SS**THydrogen-bonded Turntrans-79.25.9170.5-161.871.1000113.4
265H43.4Very low43.6Very low161 Ų161129.1 Ų129.175%0.74576%0.762SS**THydrogen-bonded Turntrans-93.1-15.3-170.9-154.6-145.4000114.2N263N263-H265 PolarHBondContact O-N 3.39Å; N263-H265 PolarHBondContact OD1-N 3.03Å
266E43.1Very low43.8Very low145 Ų145128.5 Ų128.568%0.67876%0.764SS**SBendtrans-93.8-14.7-171.7-153.2161.1140.900114.7
267L40.5Very low43.8Very low147 Ų147128.4 Ų128.477%0.7776%0.759SS**SBendtrans-87.7-14.5178.3-69.5166.9000113.7
268S43.8Very low43.9Very low67 Ų67131.8 Ų131.847%0.46976%0.758SS.*SBendtrans-74.4-30.8179.4-175.20000112.9R270S268-R270 PolarHBondContact O-N 2.98Å
269A43.8Very low44.1Very low78 Ų78133.1 Ų133.165%0.64575%0.753SS**THydrogen-bonded Turntrans-74.4-21.6-171.700000114.4
270R45.5Very low43.9Very low230 Ų230138.3 Ų138.387%0.86876%0.756SS**THydrogen-bonded Turntrans-86.1-12.4-178.3-70.8-72.5-165.9140.53.7114.1S268S268-R270 PolarHBondContact O-N 2.98Å
271Y44.8Very low43.8Very low212 Ų212135.5 Ų135.583%0.83175%0.752SS**THydrogen-bonded Turntrans-109.5-6.9-174.7-118.7-92000115
272L46.9Very low43.5Very low148 Ų148141.2 Ų141.278%0.77575%0.75SS**SBendtrans-93.4-0.5179-73.6168.3000114.5
273S41.5Very low43.6Very low107 Ų107144.4 Ų144.475%0.74876%0.757SS**  trans-10240.1177.2-168.70000113
274S42.8Very low43.1Very low114 Ų114146 Ų14680%0.79777%0.765SS**  trans-102.282.2157.4-870000108.7A276S274-A276 PolarHBondContact O-N 2.81Å
275S43.9Very low42.6Very low97 Ų97142 Ų14268%0.67876%0.764SS**  trans-60.2120.1164.2173.50000108.5F277S275-F277 PolarHBondContact O-N 3.03Å
276A48.4Very low42.7Very low103 Ų103143.3 Ų143.385%0.85177%0.767SS**SBendtrans-73.234.2-178.800000113.9S274S274-A276 PolarHBondContact O-N 2.81Å
277F38.8Very low42.6Very low177 Ų177145.7 Ų145.778%0.77678%0.778SS**  trans-14069.1-178.4-135.3-91.8000110S275 P279S275-F277 PolarHBondContact O-N 3.03Å; F277-P279 WeakPolarHBondContact O-CD 3.3Å
278E47.4Very low42.7Very low175 Ų175143.2 Ų143.282%0.81877%0.774SS**  trans-78.4116.8158.8-84.1170.8130.800108.1Y280E278-Y280 PolarHBondContact O-N 2.88Å
279P41.3Very low42.7Very low99 Ų99148 Ų14864%0.64379%0.79SS**  trans-70.7115.9170.929.4-28.9000107.1F277 S281F277-P279 WeakPolarHBondContact O-CD 3.3Å; P279-S281 PolarHBondContact O-N 2.81Å
280Y36.3Very low42.9Very low224 Ų224150.7 Ų150.788%0.87879%0.794SS**  trans-53.3103.4169.2-82-89.5000109.4E278 R282E278-Y280 PolarHBondContact O-N 2.88Å; Y280-R282 PolarHBondContact O-N 2.98Å
281S43.5Very low43Very low114 Ų114148.4 Ų148.480%0.79779%0.79SS**  trans-72.884162-580000106.6P279 T283P279-S281 PolarHBondContact O-N 2.81Å; S281-T283 PolarHBondContact O-N 3.32Å; S281-T283 VanDerWaalsContact O-N 3.08Å
282R43.3Very low42.9Very low225 Ų225148.1 Ų148.185%0.84979%0.794SS**  trans-70.3101174.2-135.5-175.2-162-159.44.2107.2Y280 N284Y280-R282 PolarHBondContact O-N 2.98Å; R282-N284 PolarHBondContact O-N 2.88Å
283T43.9Very low42.5Very low134 Ų134147.4 Ų147.482%0.82280%0.795SS**  trans-65.4121.4165.648.70000107.9S281 G285S281-T283 PolarHBondContact O-N 3.32Å; S281-T283 VanDerWaalsContact O-N 3.08Å; T283-G285 PolarHBondContact O-N 3.49Å; T283-G285 VanDerWaalsContact O-N 3.12Å
284N37.2Very low43Very low145 Ų145150.6 Ų150.678%0.77580%0.803SS**  trans-73.497.8-179.9-1208.8000108.9R282 K286R282-N284 PolarHBondContact O-N 2.88Å; N284-K286 PolarHBondContact O-N 3.13Å
285G34.9Very low42.7Very low80 Ų80157.5 Ų157.583%0.82582%0.823SS**  trans-81.197.2162.700000109.4T283 E287T283-G285 PolarHBondContact O-N 3.49Å; T283-G285 VanDerWaalsContact O-N 3.12Å; G285-E287 PolarHBondContact O-N 2.89Å
286K45.6Very low42.7Very low188 Ų188160.6 Ų160.682%0.81783%0.83SS**  trans-73.9113.2165.6-74.6174.2175162.50108.2N284N284-K286 PolarHBondContact O-N 3.13Å
287E40.1Very low42.4Very low195 Ų195163.6 Ų163.691%0.91183%0.829SS**  trans-124.6113.7148.1-87.3-164.294.400108.9G285G285-E287 PolarHBondContact O-N 2.89Å
288S43Very low42.6Very low96 Ų96162.8 Ų162.867%0.67183%0.832SS**  trans-69.2124.9169.8-156.10000108D290S288-D290 PolarHBondContact OG-OD2 3.2Å
289M43.6Very low42.3Very low167 Ų167162.1 Ų162.182%0.82383%0.833SS**  trans-12188.1156.7-93.8-173100.100108.4K291M289-K291 PolarHBondContact O-N 3.46Å
290D47.4Very low42.4Very low134 Ų134166.1 Ų166.172%0.71785%0.845SS**  trans-59.2121.2152.9-65-81.4000109.1S288S288-D290 PolarHBondContact OG-OD2 3.2Å
291K48.4Very low42.8Very low183 Ų183162.2 Ų162.280%0.79684%0.842SS**  trans-149.384.1155-108.2173.7-171.7-175.20110.7M289M289-K291 PolarHBondContact O-N 3.46Å
292K41.8Very low42.7Very low206 Ų206165.6 Ų165.690%0.89685%0.846SS**  trans33.7104130.9-124.1173-175.9177.20117.2
293T40.1Very low42.7Very low132 Ų132161.1 Ų161.181%0.8185%0.845SS**  trans-49.5131.6150.7-38.70000111.1
294L50.8Low42.6Very low175 Ų175163.3 Ų163.392%0.91685%0.847SS**  trans-132.793.3156.6-163.1104.8000106.9
295E37.8Very low43.1Very low259 Ų259165 Ų165100%1.2185%0.854SS**  trans-159.20140.8-106.4-148.9122.500107.8

Retrieved 295 of 295 residues in 1166.3 ms (Link to these results)