A0A087XYL7_POEFO Loading...

NALCN channel auxiliary factor 1

AlphaFold DB , UniProt , Accession A0A087XYL7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 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
1M37.6Very low31Very low215 Ų215182.2 Ų182.2100%1.05986%0.858SS**  0105.20-83.4177.5161.100109.7
2T32.9Very low30.7Very low128 Ų128180.7 Ų180.779%0.78586%0.86SS**  trans-178.686.2150.335.20000107.8
3R36.2Very low30.5Very low202 Ų202180.4 Ų180.476%0.76286%0.857SS**  trans-98.8103.6162.2-102.9179.6153.6175.6-5.1107.6V5R3-V5 PolarHBondContact O-N 2.84Å
4G31.1Very low30.4Very low78 Ų78174.9 Ų174.980%0.80485%0.846SS**  trans-69117.2161.300000108.9W6G4-W6 PolarHBondContact O-N 2.8Å
5V32.9Very low30.5Very low127 Ų127172.7 Ų172.777%0.7784%0.839SS**  trans-75.5113.6-178.7171.40000109.8R3R3-V5 PolarHBondContact O-N 2.84Å
6W32.8Very low30.6Very low247 Ų247173.8 Ų173.894%0.93684%0.838SS**  trans-143.8103.5153.8-78.692.3000109.1G4G4-W6 PolarHBondContact O-N 2.8Å
7M26.9Very low30.5Very low183 Ų183175.8 Ų175.890%0.90184%0.837SS**  trans-136.5101.6169.4-93.3-72.5-123.600108
8R26.8Very low30.3Very low237 Ų237178.3 Ų178.389%0.89484%0.837SS**  trans-97.8107.8166.8-174.3173.9-120.9-171.80.1107.9Q10R8-Q10 PolarHBondContact O-N 3.14Å
9R28.2Very low30.3Very low233 Ų233175.3 Ų175.388%0.87984%0.837SS**  trans-60.4127.9173.2-77.5176.7173.6164.6-1.7110.7
10Q28.9Very low30.2Very low185 Ų185170.1 Ų170.186%0.86483%0.825SS**  trans-126.4120.1147.6-81.2-174.6-15.700108.6R8R8-Q10 PolarHBondContact O-N 3.14Å
11H27.1Very low30.3Very low169 Ų169168.1 Ų168.178%0.78283%0.825SS**  trans-59.2140.3163.5-92.443.4000109.3
12N27.5Very low30Very low164 Ų164169.8 Ų169.888%0.87782%0.82SS**  -163.3160.1125.2-98.3-14.6000113.3
13E28Very low29.9Very low177 Ų177172.2 Ų172.283%0.82782%0.822SS**  trans-76.2154.3-153.3-62.9-170.5144.500117.2
14C28.2Very low29.6Very low104 Ų104169.8 Ų169.870%0.70382%0.824SS**  50.4117.3129.7-160.80000119.4
15L31.9Very low29.5Very low141 Ų141175.6 Ų175.674%0.73883%0.831SS**  -169.9115.3113.2-98.8144.3000111.7Y17L15-Y17 HydrophobicContact CD2-CE2 3.83Å
16K32.3Very low29.4Very low191 Ų191179.1 Ų179.183%0.8384%0.836SS**  trans-70.5133.9165.7-80.5170.9171.7172.60109.4
17Y29.4Very low30.3Very low208 Ų208172 Ų17282%0.81682%0.821SS**  trans-134.4108.9145-80.3-74.9000110.7L15L15-Y17 HydrophobicContact CD2-CE2 3.83Å
18W26.6Very low30.5Very low221 Ų221172.7 Ų172.784%0.83782%0.819SS**  trans-88.5139.4163-177.6-81.4000107.6
19S31Very low30.8Very low120 Ų120167 Ų16784%0.83981%0.811SS**  trans-138.5112.3163.7-71.20000108.8
20A28.2Very low31.9Very low71 Ų71162.4 Ų162.459%0.58780%0.8SS**PPolyproline II helixtrans-84.8154.8171.900000110.8
21P30.8Very low32.5Very low129 Ų129159 Ų15984%0.83879%0.793SS**PPolyproline II helixtrans-82.5149.5-176.9-2.422.2000111.9
22R31.3Very low33.5Very low251 Ų251157.2 Ų157.295%0.94779%0.786SS**PPolyproline II helixtrans-98.9124.3166.1-80.2-166.8-178.9-168.61.5110.9
23E31.2Very low34.5Very low178 Ų178157.1 Ų157.183%0.83277%0.773SS**PPolyproline II helixtrans-72.6138.8159.8-75.3174.4128.700110.5
24N29.7Very low35.5Very low151 Ų151152.2 Ų152.281%0.80776%0.762SS**  170112.8124.2-84.3-19.1000110.6
25E29.6Very low36.3Very low201 Ų201155 Ų15594%0.93977%0.765SS**  174.1140.1120.9-92.1179-169.500111
26K31.8Very low37Very low201 Ų201156.9 Ų156.987%0.87476%0.762SS**  trans-136.5169.8-178.1-124.5-168.6-178.9173.90106.3
27P51.6Low37.5Very low96 Ų96156 Ų15662%0.62375%0.754SS**  cis-130.6141.5-4627.7-9.2000111.6
28F30.4Very low38.6Very low198 Ų198155.9 Ų155.987%0.86875%0.752SS**  trans-145114.4158.6-92-78.7000112.4
29T33.1Very low39.7Very low118 Ų118153 Ų15372%0.72475%0.748SS**  trans47.8116.3141.549.60000120.2P31T29-P31 VanDerWaalsContact O-CD 3.22Å; T29-P31 WeakPolarHBondContact O-CD 3.14Å
30E50.7Low41Very low136 Ų136150 Ų15064%0.63673%0.727SS**  trans-37.6122.5156.8-91.4145.5137.400114R33E30-R33 HydrophobicContact CG-CB 4.22Å; E30-R33 IonicContact OE1-CZ 3.83Å; E30-R33 IonicContact OE1-NE 3.84Å; E30-R33 IonicContact OE1-NH1 3.59Å; E30-R33 PolarHBondContact OE1-NH1 2.95Å; E30-R33 IonicContact OE2-NH1 3.05Å
31P42.7Very low42.3Very low113 Ų113151.7 Ų151.773%0.73473%0.726SS**SBend-137.512.4115.738.6-27.6000114.1T29T29-P31 VanDerWaalsContact O-CD 3.22Å; T29-P31 WeakPolarHBondContact O-CD 3.14Å
32E48.4Very low43.7Very low133 Ų133148.5 Ų148.562%0.62171%0.71SS**SBendtrans-94.6-6.4-176.5-66.2-156.5161.300115.1A34 R36E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.3Å; E32-R36 IonicContact OE2-NH2 3.96Å
33R47.3Very low45.3Very low162 Ų162139.7 Ų139.761%0.61169%0.687SS**Hα-helixtrans-74.5-20.1-176.7-155174.6-101.1155-8.6112.4E30E30-R33 HydrophobicContact CG-CB 4.22Å; E30-R33 IonicContact OE1-CZ 3.83Å; E30-R33 IonicContact OE1-NE 3.84Å; E30-R33 IonicContact OE1-NH1 3.59Å; E30-R33 PolarHBondContact OE1-NH1 2.95Å; E30-R33 IonicContact OE2-NH1 3.05Å
34A48.5Very low46.7Very low73 Ų73136 Ų13660%0.60367%0.672SS**Hα-helixtrans-88.4-10.2-176.600000115.5E32E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.3Å
35Q46.3Very low48.3Very low162 Ų162133.5 Ų133.576%0.75766%0.658SS**Hα-helixtrans-93.6-27.6175.1-88.1-156.3-36.300114.2W37 R38Q35-W37 VanDerWaalsContact C-N 3.29Å; Q35-W37 PolarHBondContact O-N 3.49Å; Q35-R38 PolarHBondContact O-N 3.4Å
36R46.3Very low50Low181 Ų181129.8 Ų129.868%0.68364%0.639SS**Hα-helixtrans-67.6-26.1177.5-71-174.1178.9114.36.5113.6E32 S40E32-R36 IonicContact OE2-NH2 3.96Å; R36-S40 PolarHBondContact O-N 3.06Å
37W41.5Very low51.5Low173 Ų173124.7 Ų124.766%0.65562%0.62SS**Hα-helixtrans-73.9-25176.6-67.5102.3000113.8Q35 S40 L41Q35-W37 VanDerWaalsContact C-N 3.29Å; Q35-W37 PolarHBondContact O-N 3.49Å; W37-S40 PolarHBondContact O-N 2.92Å; W37-L41 WeakPolarHBondContact O-CB 3.47Å; W37-L41 PolarHBondContact O-N 3.17Å
38R53.7Low52.2Low206 Ų206123.1 Ų123.178%0.77761%0.609SS**Hα-helixtrans-74.6-27.8-177.1-67.4-173.7178.8-131.80.9113Q35Q35-R38 PolarHBondContact O-N 3.4Å
39Q49Very low53.9Low160 Ų160118 Ų11875%0.74859%0.594SS**Hα-helixtrans-83.9-31.3172.5-116.4169.9-1.200112.8S43Q39-S43 PolarHBondContact O-N 3.13Å; Q39-S43 PolarHBondContact O-OG 3.47Å
40S58.4Low55.3Low57 Ų57116.4 Ų116.440%0.39958%0.581SS.*Hα-helixtrans-69.7-40.2176.1-1760000111.9R36 W37 S43 L44R36-S40 PolarHBondContact O-N 3.06Å; W37-S40 PolarHBondContact O-N 2.92Å; S40-S43 PolarHBondContact O-N 3.07Å; S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.29Å; S40-L44 PolarHBondContact O-N 3.24Å
41L56.2Low55.6Low107 Ų107114.7 Ų114.756%0.5658%0.575SS**Hα-helixtrans-70.6-37.3-179.1-154.4153.2000112.2W37 L44 L45W37-L41 WeakPolarHBondContact O-CB 3.47Å; W37-L41 PolarHBondContact O-N 3.17Å; L41-L44 PolarHBondContact O-N 2.94Å; L41-L45 HydrophobicContact CD2-CD1 3.63Å; L41-L45 HydrophobicContact CD2-CG 3.96Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.01Å
42A59.9Low56.1Low61 Ų61112.2 Ų112.250%0.50456%0.561SS.*Hα-helixtrans-65.6-39.4173.400000112.2F46A42-F46 WeakPolarHBondContact O-CB 3.38Å; A42-F46 PolarHBondContact O-N 3.36Å
43S64.3Low56.3Low66 Ų66110.3 Ų110.346%0.46256%0.555SS.*Hα-helixtrans-67.6-37.9175.3-55.80000111.7Q39 S40 F46 I47Q39-S43 PolarHBondContact O-N 3.13Å; Q39-S43 PolarHBondContact O-OG 3.47Å; S40-S43 PolarHBondContact O-N 3.07Å; S43-F46 PolarHBondContact O-N 2.87Å; S43-I47 WeakPolarHBondContact O-CD1 3.3Å; S43-I47 VanDerWaalsContact O-CG1 3.25Å; S43-I47 WeakPolarHBondContact O-CG1 3.36Å; S43-I47 PolarHBondContact O-N 3.15Å
44L61.1Low56.5Low102 Ų102109.7 Ų109.753%0.53456%0.558SS.*Hα-helixtrans-69.2-41.8177.5-156.5132.2000111.1S40 L41 F46 I47 T48S40-L44 VanDerWaalsContact O-CB 3.31Å; S40-L44 WeakPolarHBondContact O-CB 3.29Å; S40-L44 PolarHBondContact O-N 3.24Å; L41-L44 PolarHBondContact O-N 2.94Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 PolarHBondContact O-N 2.57Å; L44-I47 PolarHBondContact O-N 3Å; L44-T48 HydrophobicContact CD2-CG2 4.22Å; L44-T48 VanDerWaalsContact O-CG2 3.31Å; L44-T48 WeakPolarHBondContact O-CG2 3.47Å; L44-T48 PolarHBondContact O-N 3.46Å; L44-T48 PolarHBondContact O-OG1 3.36Å
45L64.3Low56.6Low98 Ų98112.4 Ų112.451%0.51356%0.562SS.*Hα-helixtrans-60.8-42.3172.7-73175.1000111.6L41 T48 V49L41-L45 HydrophobicContact CD2-CD1 3.63Å; L41-L45 HydrophobicContact CD2-CG 3.96Å; L41-L45 WeakPolarHBondContact O-CB 3.42Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.48Å; L41-L45 PolarHBondContact O-N 3.01Å; L45-T48 VanDerWaalsContact CA-OG1 3.3Å; L45-T48 WeakPolarHBondContact CA-OG1 3.48Å; L45-T48 PolarHBondContact O-N 3.24Å; L45-T48 PolarHBondContact O-OG1 3.11Å; L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.27Å
46F64.4Low56.7Low122 Ų122113 Ų11354%0.53556%0.558SS.*Hα-helixtrans-62.3-43.7176.2-168.3-102.5000112.5A42 S43 L44 V49 L50A42-F46 WeakPolarHBondContact O-CB 3.38Å; A42-F46 PolarHBondContact O-N 3.36Å; S43-F46 PolarHBondContact O-N 2.87Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 PolarHBondContact O-N 2.57Å; F46-V49 PolarHBondContact O-N 3.39Å; F46-L50 HydrophobicContact CD1-CD1 3.72Å; F46-L50 HydrophobicContact CE1-CD1 3.46Å; F46-L50 VanDerWaalsContact CE1-CD1 3.46Å; F46-L50 HydrophobicContact CE1-CG 4.38Å; F46-L50 HydrophobicContact CZ-CD1 4.15Å; F46-L50 WeakPolarHBondContact O-CG 3.33Å; F46-L50 PolarHBondContact O-N 3.24Å; F46-L50 VanDerWaalsContact O-N 3.11Å
47I64.3Low56.6Low94 Ų94111 Ų11148%0.48256%0.555SS.*Hα-helixtrans-67-40176.2-67.8164.3000111S43 L44 V49 L50 L51S43-I47 WeakPolarHBondContact O-CD1 3.3Å; S43-I47 VanDerWaalsContact O-CG1 3.25Å; S43-I47 WeakPolarHBondContact O-CG1 3.36Å; S43-I47 PolarHBondContact O-N 3.15Å; L44-I47 PolarHBondContact O-N 3Å; I47-V49 PolarHBondContact O-N 2.81Å; I47-L50 PolarHBondContact O-N 2.83Å; I47-L51 HydrophobicContact CG2-CD1 3.59Å; I47-L51 HydrophobicContact CG2-CG 4.18Å; I47-L51 WeakPolarHBondContact O-CB 3.21Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.4Å; I47-L51 PolarHBondContact O-N 3.13Å
48T65.3Low56.9Low64 Ų64107.7 Ų107.739%0.39356%0.556SS.*Hα-helixtrans-65.1-39.417854.50000112.7L44 L45 L51 S52L44-T48 HydrophobicContact CD2-CG2 4.22Å; L44-T48 VanDerWaalsContact O-CG2 3.31Å; L44-T48 WeakPolarHBondContact O-CG2 3.47Å; L44-T48 PolarHBondContact O-N 3.46Å; L44-T48 PolarHBondContact O-OG1 3.36Å; L45-T48 VanDerWaalsContact CA-OG1 3.3Å; L45-T48 WeakPolarHBondContact CA-OG1 3.48Å; L45-T48 PolarHBondContact O-N 3.24Å; L45-T48 PolarHBondContact O-OG1 3.11Å; T48-L51 PolarHBondContact O-N 3.38Å; T48-S52 WeakPolarHBondContact O-CB 3.43Å; T48-S52 PolarHBondContact O-N 3.33Å; T48-S52 PolarHBondContact O-OG 3.06Å
49V67Low56.6Low89 Ų89101 Ų10154%0.53955%0.545SS..Hα-helixtrans-65.5-41.5175.8171.60000110.9L45 F46 I47 L51 S52 D53L45-V49 WeakPolarHBondContact O-CG2 3.43Å; L45-V49 PolarHBondContact O-N 3.27Å; F46-V49 PolarHBondContact O-N 3.39Å; I47-V49 PolarHBondContact O-N 2.81Å; V49-L51 PolarHBondContact O-N 3Å; V49-S52 WeakPolarHBondContact CA-OG 3.06Å; V49-S52 PolarHBondContact O-OG 3.13Å; V49-D53 PolarHBondContact O-N 3.13Å
50L61.3Low56.3Low85 Ų8598.5 Ų98.545%0.44553%0.534SS..Hα-helixtrans-65.7-35.7175.5-74.3173.3000113.2F46 I47F46-L50 HydrophobicContact CD1-CD1 3.72Å; F46-L50 HydrophobicContact CE1-CD1 3.46Å; F46-L50 VanDerWaalsContact CE1-CD1 3.46Å; F46-L50 HydrophobicContact CE1-CG 4.38Å; F46-L50 HydrophobicContact CZ-CD1 4.15Å; F46-L50 WeakPolarHBondContact O-CG 3.33Å; F46-L50 PolarHBondContact O-N 3.24Å; F46-L50 VanDerWaalsContact O-N 3.11Å; I47-L50 PolarHBondContact O-N 2.83Å
51L56.6Low55.6Low100 Ų10099.5 Ų99.552%0.52455%0.545SS..Hα-helixtrans-78.8-31.7179.3-71.8171.8000112.7I47 T48 V49 D53 H54 L55I47-L51 HydrophobicContact CG2-CD1 3.59Å; I47-L51 HydrophobicContact CG2-CG 4.18Å; I47-L51 WeakPolarHBondContact O-CB 3.21Å; I47-L51 VanDerWaalsContact O-CG 3.27Å; I47-L51 WeakPolarHBondContact O-CG 3.4Å; I47-L51 PolarHBondContact O-N 3.13Å; T48-L51 PolarHBondContact O-N 3.38Å; V49-L51 PolarHBondContact O-N 3Å; L51-D53 VanDerWaalsContact C-N 3.31Å; L51-D53 PolarHBondContact O-N 3.4Å; L51-H54 PolarHBondContact O-N 3.46Å; L51-L55 PolarHBondContact O-N 3.35Å; L51-L55 VanDerWaalsContact O-N 3.17Å
52S54.7Low54.9Low62 Ų62103.1 Ų103.143%0.43456%0.557SS.*Hα-helixtrans-65.1-33.7175.243.50000112.8T48 V49 L55 W56T48-S52 WeakPolarHBondContact O-CB 3.43Å; T48-S52 PolarHBondContact O-N 3.33Å; T48-S52 PolarHBondContact O-OG 3.06Å; V49-S52 WeakPolarHBondContact CA-OG 3.06Å; V49-S52 PolarHBondContact O-OG 3.13Å; S52-L55 PolarHBondContact O-N 3.06Å; S52-W56 PolarHBondContact O-N 3.38Å
53D52.6Low53.8Low92 Ų92106.5 Ų106.549%0.49257%0.566SS.*Hα-helixtrans-68.7-35.4174.5-79.1-13.2000111.9V49 L51 F57V49-D53 PolarHBondContact O-N 3.13Å; L51-D53 VanDerWaalsContact C-N 3.31Å; L51-D53 PolarHBondContact O-N 3.4Å; D53-F57 VanDerWaalsContact O-CD2 3.24Å; D53-F57 WeakPolarHBondContact O-CD2 3.05Å
54H51.4Low52.7Low149 Ų149108.5 Ų108.569%0.6958%0.575SS**Hα-helixtrans-70.8-28.7176.1-95.6-71.6000113.7L51L51-H54 PolarHBondContact O-N 3.46Å
55L49.6Very low51.8Low131 Ų131114.6 Ų114.669%0.68659%0.591SS**Hα-helixtrans-78.3-31.2177.3-76.7158.8000112.3L51 S52L51-L55 PolarHBondContact O-N 3.35Å; L51-L55 VanDerWaalsContact O-N 3.17Å; S52-L55 PolarHBondContact O-N 3.06Å
56W48.2Very low50.6Low173 Ų173115.6 Ų115.666%0.65560%0.601SS**Hα-helixtrans-71-34.4179.6-164.1-94.2000113S52 C58 A59 E60S52-W56 PolarHBondContact O-N 3.38Å; W56-C58 VanDerWaalsContact C-N 3.35Å; W56-C58 PolarHBondContact O-N 3.29Å; W56-A59 PolarHBondContact O-N 2.99Å; W56-E60 PolarHBondContact O-N 3.11Å
57F44.5Very low49.3Very low141 Ų141120.3 Ų120.362%0.61862%0.615SS**Hα-helixtrans-73.7-20.1177.9-79.4-70.5000114.7D53D53-F57 VanDerWaalsContact O-CD2 3.24Å; D53-F57 WeakPolarHBondContact O-CD2 3.05Å
58C47.2Very low47.9Very low102 Ų102123.7 Ų123.769%0.68963%0.634SS**Hα-helixtrans-79.8-18.1175.2-74.60000113.3W56W56-C58 VanDerWaalsContact C-N 3.35Å; W56-C58 PolarHBondContact O-N 3.29Å
59A47.4Very low46.5Very low67 Ų67130.2 Ų130.255%0.55466%0.657SS**Hα-helixtrans-87.1-35.917600000112.5W56 K62W56-A59 PolarHBondContact O-N 2.99Å; A59-K62 PolarHBondContact O-N 3.3Å
60E43.1Very low44.8Very low107 Ų107137.2 Ų137.250%0.567%0.674SS.*Hα-helixtrans-78.6-23.7-178.1-101.1-177.7161.400114.6W56 K62 L63W56-E60 PolarHBondContact O-N 3.11Å; E60-K62 PolarHBondContact O-N 3.44Å; E60-L63 PolarHBondContact O-N 3.18Å
61A43.8Very low43.6Very low78 Ų78138.8 Ų138.865%0.64569%0.692SS**THydrogen-bonded Turntrans-69.8-14174.300000113.5
62K41.3Very low42.4Very low183 Ų183142 Ų14280%0.79671%0.71SS**THydrogen-bonded Turntrans-96.8-14179.6-153175.5-177.6177.80113.6A59 E60A59-K62 PolarHBondContact O-N 3.3Å; E60-K62 PolarHBondContact O-N 3.44Å
63L36.5Very low41.2Very low132 Ų132148.6 Ų148.669%0.69173%0.734SS**THydrogen-bonded Turntrans-98.5-19.7-177.3-15295.1000113.9E60 T66E60-L63 PolarHBondContact O-N 3.18Å; L63-T66 PolarHBondContact O-OG1 2.05Å
64T41.6Very low39.9Very low107 Ų107147.3 Ų147.366%0.65674%0.743SS**G310 helixtrans-84.2-13.7-177.353.30000114.1T66T64-T66 VanDerWaalsContact C-N 3.35Å
65R42Very low38.7Very low231 Ų231149.7 Ų149.787%0.87275%0.753SS**G310 helixtrans-81.6-8.9177.1-166.4169.4169.8148-0.9114.2
66T40.2Very low37.6Very low119 Ų119147.9 Ų147.973%0.7376%0.758SS**G310 helixtrans-103.8-1.1-177.942.60000114.9L63 T64L63-T66 PolarHBondContact O-OG1 2.05Å; T64-T66 VanDerWaalsContact C-N 3.35Å
67R35.9Very low36.6Very low220 Ų220147.6 Ų147.683%0.8377%0.767SS**SBendtrans-104.5-6.8-176.7-168.2156165.487.9-0.7115.8
68D34.8Very low35.8Very low165 Ų165145.7 Ų145.788%0.88277%0.771SS**SBendtrans-105.722.3-177.6-110.3-0.5000115.2
69K37Very low34.8Very low202 Ų202148.3 Ų148.388%0.87878%0.778SS**SBendtrans-122.746.2173.4-156.8-177.3-178.9-178.20112.1
70R31.8Very low33.8Very low235 Ų235149.5 Ų149.589%0.88779%0.788SS**SBendtrans-156.854.4175.1-143.3179.7-148.6-146.34.7113.1
71S34.6Very low32.9Very low118 Ų118147.6 Ų147.683%0.82580%0.797SS**SBendtrans-160.867.5167.1-66.10000109.9
72D31.6Very low32.1Very low169 Ų169152.3 Ų152.390%0.90481%0.806SS**  trans-169.176.7148.8-116.5-8.4000109.5
73E29.1Very low31.3Very low200 Ų200152.4 Ų152.494%0.93581%0.807SS**  trans-141120.6162.2-95.2-173.8158.200108.4
74G26.1Very low30.8Very low65 Ų65155.7 Ų155.767%0.6782%0.815SS**  trans113.9103.116500000114.1
75H27.1Very low30.8Very low198 Ų198154.9 Ų154.992%0.91781%0.812SS**  -174.2122.793.2-89.877.8000109.7
76A25.7Very low29.9Very low94 Ų94151.4 Ų151.478%0.77781%0.811SS**  trans-113.5131.2166.700000107.5
77I28Very low29.3Very low166 Ų166150.3 Ų150.385%0.85181%0.808SS**  trans-147.9134.9147.7-59.2-171.4000109.3
78S27Very low29.1Very low101 Ų101146 Ų14671%0.70681%0.808SS**  trans-63.315817648.50000116.6
79D25.8Very low28.7Very low157 Ų157146.6 Ų146.684%0.8481%0.805SS**  -177.8161.299.4-148.31.2000114.3
80A27.4Very low28.1Very low92 Ų92141.8 Ų141.876%0.7680%0.798SS**  trans-32.9162.6179.200000119.7
81G24.6Very low28Very low67 Ų67138.6 Ų138.669%0.69179%0.792SS**  cis151.8141.6800000108.4
82E25.2Very low27.6Very low177 Ų177141.3 Ų141.383%0.82779%0.792SS**  trans173.8123.9144.1-97.9-167.6138.100116.2
83K25.9Very low27.5Very low186 Ų186139.2 Ų139.281%0.80979%0.785SS**  trans32.5115141.5-67168.6-176.7161.20124.7
84K25.8Very low27.5Very low201 Ų201135.6 Ų135.687%0.87478%0.778SS**  trans4.2173.4133.4-109.1-172.1166.5179.50121.9
85P40.3Very low27.5Very low89 Ų89142.2 Ų142.258%0.57879%0.789SS**  cis-138.8170.8-11.429.6-6.6000116.2
86N24.2Very low27.6Very low159 Ų159137.8 Ų137.885%0.8578%0.78SS**  171.3133.7119.3-82.8-17.6000113.2
87S26.7Very low28Very low96 Ų96139 Ų13967%0.67178%0.78SS**  trans-99.6163.6169-166.50000108.7Q89S87-Q89 PolarHBondContact OG-N 2.88Å
88P32.9Very low28Very low128 Ų128137 Ų13783%0.83177%0.771SS**  -137.915684.521.20.8000114.9
89Q25.9Very low28.3Very low178 Ų178137.7 Ų137.783%0.83277%0.773SS**  trans-57.4143.1170.6-70.5162.9-52.200112.8S87S87-Q89 PolarHBondContact OG-N 2.88Å
90S24.6Very low28.5Very low102 Ų102141 Ų14171%0.71377%0.774SS**  trans-144.6128.9150.5-171.20000110
91H28.8Very low28.6Very low168 Ų168148.2 Ų148.278%0.77878%0.781SS**  trans-66.1128.3176.8-70-95.4000110.7
92H26.9Very low28.9Very low175 Ų175152.6 Ų152.681%0.8179%0.788SS**  trans-137.1104.3161.8-88.7-60.5000112.5
93V29.2Very low29.2Very low125 Ų125149 Ų14976%0.75879%0.788SS**  trans-11.7130146-175.90000114.8K95V93-K95 PolarHBondContact O-N 3.32Å
94P30.4Very low29.4Very low123 Ų123151.5 Ų151.580%0.79979%0.792SS**  trans-65.6127.2170.4-13.927.7000111
95K26Very low29.9Very low205 Ų205150 Ų15089%0.89179%0.789SS**  trans-61.5133.3171-83.8175.7174.1174.30111V93V93-K95 PolarHBondContact O-N 3.32Å
96S29Very low29.9Very low105 Ų105154.1 Ų154.173%0.73480%0.8SS**  trans-42.8137.8165.7-167.60000113.1
97P32.9Very low30.3Very low119 Ų119152.5 Ų152.577%0.77379%0.791SS**  trans-75.8145.3151.4-2.421.2000109.7
98D29.7Very low31Very low123 Ų123151.5 Ų151.566%0.65878%0.781SS**  trans-59.6136.8-176.5-157.8-20.1000113.2R100D98-R100 PolarHBondContact O-N 2.97Å
99P32.9Very low31.7Very low116 Ų116148.3 Ų148.375%0.75376%0.756SS**SBendtrans-74.59.3-175-13.429.8000115.6
100R29.9Very low32.2Very low228 Ų228147.3 Ų147.386%0.8675%0.75SS**THydrogen-bonded Turntrans-98.224.2-169.1-60-142.5-154.6-167.18.5116.2D98D98-R100 PolarHBondContact O-N 2.97Å
101R28.6Very low33Very low243 Ų243146.7 Ų146.792%0.91774%0.738SS**THydrogen-bonded Turntrans-122.422.3175.2-92.3-169.9-179.3-123.52.9115
102L30.7Very low33.2Very low159 Ų159142 Ų14283%0.83274%0.735SS**  trans-118.967.6171.2-81.1163.3000109.9
103A31.3Very low33.7Very low100 Ų100141.5 Ų141.583%0.82674%0.738SS**SBendtrans-166.456.116900000111.1
104R31.3Very low34.4Very low239 Ų239140.6 Ų140.690%0.90274%0.737SS**SBendtrans-15548.4156.1-149.9176.6-171.7-177.81.6111.2
105E35.2Very low35.2Very low171 Ų171140.7 Ų140.780%0.79974%0.736SS**  trans-135.768.1177.8-161.3166.3-150.400107
106Q40.1Very low36.6Very low175 Ų175135.9 Ų135.982%0.81872%0.715SS**  trans-174.178.1169.1-106160.956.400108.5
107D34Very low38.1Very low124 Ų124131.9 Ų131.966%0.66369%0.686SS**  trans-12466.9146.9-75.5-40.4000105.3
108V39.9Very low39.7Very low76 Ų76127.7 Ų127.746%0.46166%0.657SS.*  trans-95.9107168.2-170.80000104.4F110V108-F110 VanDerWaalsContact C-N 3.35Å; V108-F110 HydrophobicContact CB-CD2 3.84Å; V108-F110 HydrophobicContact CB-CE2 3.89Å; V108-F110 HydrophobicContact CG1-CD2 3.6Å; V108-F110 HydrophobicContact CG1-CE2 3.5Å; V108-F110 HydrophobicContact CG1-CZ 4.48Å; V108-F110 PolarHBondContact O-N 3.31Å
109I47.6Very low41.5Very low60 Ų60127.8 Ų127.831%0.30865%0.648SS.*  trans-66.999.4175.1-60.3171.3000106.6L118 A157 V159I109-L118 HydrophobicContact CD1-CD2 4.15Å; I109-A157 HydrophobicContact CB-CB 4.44Å; I109-A157 HydrophobicContact CD1-CB 3.77Å; I109-A157 HydrophobicContact CG1-CB 3.89Å; I109-A157 HydrophobicContact CG2-CB 3.7Å; I109-V159 HydrophobicContact CD1-CG2 4.34Å
110F36.4Very low43.4Very low158 Ų158128.3 Ų128.369%0.69364%0.635SS**  trans-93.6108177.1-98.8-89.9000108.5V108V108-F110 VanDerWaalsContact C-N 3.35Å; V108-F110 HydrophobicContact CB-CD2 3.84Å; V108-F110 HydrophobicContact CB-CE2 3.89Å; V108-F110 HydrophobicContact CG1-CD2 3.6Å; V108-F110 HydrophobicContact CG1-CE2 3.5Å; V108-F110 HydrophobicContact CG1-CZ 4.48Å; V108-F110 PolarHBondContact O-N 3.31Å
111I41.9Very low45.2Very low89 Ų89119 Ų11946%0.45660%0.602SS.*  trans-98.1130.2157.9-63.1170.1000106.8T141I111-T141 HydrophobicContact CD1-CG2 3.9Å
112G34.2Very low46.5Very low70 Ų70115.5 Ų115.572%0.72260%0.602SS**SBendtrans-60.6144.2-172.200000113.8
113N35.9Very low47.9Very low163 Ų163113.2 Ų113.287%0.87259%0.594SS**SBendtrans86.674.5175.9-143.410000117.3
114S44.7Very low49.6Very low106 Ų106110.4 Ų110.474%0.74157%0.569SS**SBendtrans56.558.8140.9-164.40000119.8
115T47.1Very low51.3Low126 Ų126100.7 Ų100.777%0.77353%0.533SS*.SBend-170.9131.212821.70000105.9P117T115-P117 WeakPolarHBondContact O-CD 3.43Å
116K56.4Low52.4Low103 Ų10398 Ų9845%0.44853%0.531SS..  trans-61.1111.3-177.5-65.4178.8-177.8178.40108.9L118 W119K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.91Å; K116-W119 HydrophobicContact CB-CH2 4.1Å; K116-W119 HydrophobicContact CB-CZ2 3.78Å; K116-W119 HydrophobicContact CD-CH2 3.77Å; K116-W119 HydrophobicContact CD-CZ2 4.33Å; K116-W119 HydrophobicContact CD-CZ3 3.87Å; K116-W119 HydrophobicContact CG-CH2 4.38Å; K116-W119 HydrophobicContact CG-CZ2 4.5Å; K116-W119 PolarHBondContact O-NE1 2.97Å; K116-W119 VanDerWaalsContact O-NE1 3.07Å
117P59.3Low53.3Low21 Ų2191.3 Ų91.314%0.13650%0.501CS..SBendtrans-77.6-21.5-170.729.3-31.8000112.2T115 F136 T137 T141T115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-F136 WeakPolarHBondContact O-CA 3.36Å; P117-T137 PolarHBondContact O-N 3.22Å; P117-T141 HydrophobicContact CB-CG2 3.77Å; P117-T141 HydrophobicContact CG-CG2 3.78Å
118L65.6Low54.6Low32 Ų3286.4 Ų86.417%0.16848%0.476CS..EExtended strand (participates in β ladder)trans-124.7129.1-177.4-16573.9000110.2I109 K116 F134 T135 F136 L164I109-L118 HydrophobicContact CD1-CD2 4.15Å; K116-L118 VanDerWaalsContact C-N 3.29Å; K116-L118 PolarHBondContact O-N 2.91Å; L118-F134 HydrophobicContact CD1-CB 3.55Å; L118-F134 HydrophobicContact CD1-CG 4.28Å; L118-F134 HydrophobicContact CD2-CB 3.93Å; L118-F134 HydrophobicContact CD2-CD1 3.64Å; L118-F134 HydrophobicContact CD2-CD2 4.3Å; L118-F134 HydrophobicContact CD2-CE1 4.18Å; L118-F134 HydrophobicContact CD2-CG 3.72Å; L118-F134 HydrophobicContact CG-CB 3.68Å; L118-F134 HydrophobicContact CG-CD1 3.9Å; L118-F134 HydrophobicContact CG-CG 3.97Å; L118-T135 WeakPolarHBondContact CA-O 3.33Å; L118-T135 WeakPolarHBondContact CD1-O 3.38Å; L118-F136 HydrophobicContact CD1-CB 4.12Å; L118-L164 HydrophobicContact CD1-CD2 3.46Å; L118-L164 VanDerWaalsContact CD1-CD2 3.46Å
119W69.6Low55.7Low124 Ų12487.5 Ų87.547%0.4748%0.483SS..EExtended strand (participates in β ladder)trans-117.9117.3179.2-63.793.8000109.8K116 M121 F134 T135K116-W119 HydrophobicContact CB-CH2 4.1Å; K116-W119 HydrophobicContact CB-CZ2 3.78Å; K116-W119 HydrophobicContact CD-CH2 3.77Å; K116-W119 HydrophobicContact CD-CZ2 4.33Å; K116-W119 HydrophobicContact CD-CZ3 3.87Å; K116-W119 HydrophobicContact CG-CH2 4.38Å; K116-W119 HydrophobicContact CG-CZ2 4.5Å; K116-W119 PolarHBondContact O-NE1 2.97Å; K116-W119 VanDerWaalsContact O-NE1 3.07Å; W119-M121 PolarHBondContact O-N 3.33Å; W119-F134 CarbonylContact O-C 3.58Å; W119-F134 WeakPolarHBondContact O-CA 3.34Å; W119-T135 PolarHBondContact N-O 3.22Å; W119-T135 PolarHBondContact O-N 3.3Å; W119-T135 PolarHBondContact O-OG1 3.36Å
120R71Confident56.4Low127 Ų12785.8 Ų85.848%0.47948%0.476SS..EExtended strand (participates in β ladder)trans-63.6129.3169.7-178.6176.2-75.1170.9-4.3108.6D132 F134R120-D132 IonicContact NH2-OD1 3.62Å; R120-F134 HydrophobicContact CB-CD1 3.95Å; R120-F134 HydrophobicContact CB-CE1 3.97Å; R120-F134 HydrophobicContact CG-CE1 4.34Å
121M67.4Low57.8Low33 Ų3389.3 Ų89.316%0.16348%0.484CS..  trans-73.5140.4175.7-70161.167.200110.2W119 T123 C133 T135 N170W119-M121 PolarHBondContact O-N 3.33Å; M121-T123 PolarHBondContact O-N 2.86Å; M121-C133 HydrophobicContact CB-CB 4.46Å; M121-C133 PolarHBondContact N-O 3.06Å; M121-C133 HydrophobicContact SD-CB 3.91Å; M121-T135 HydrophobicContact CG-CG2 3.62Å; M121-T135 HydrophobicContact SD-CG2 3.61Å; M121-N170 HydrophobicContact CE-CB 3.78Å
122D55.9Low59.3Low169 Ų16988.6 Ų88.690%0.90448%0.481SS*.SBendtrans-63.4-29.1178.3-67.2-38.2000112.4
123T60.8Low61.6Low111 Ų11185.3 Ų85.368%0.68145%0.448SS*.SBendtrans-142.8113.7176.251.40000110.5M121M121-T123 PolarHBondContact O-N 2.86Å
124C67Low63.9Low42 Ų4278.8 Ų78.828%0.28441%0.411SS..  trans-60150.8161.6-76.40000110.5C133C124-C133 VanDerWaalsContact CA-SG 3.56Å; C124-C133 HydrophobicContact CB-CB 4.09Å; C124-C133 WeakPolarHBondContact CB-SG 3.36Å; C124-C133 WeakPolarHBondContact SG-CB 3.15Å; C124-C133 PolarHBondContact SG-N 3.19Å; C124-C133 VanDerWaalsContact SG-N 3.36Å; C124-C133 CovalentContact SG-SG 2.03Å; C124-C133 PolarHBondContact SG-SG 2.83Å
125H66.7Low65.9Low35 Ų3575 Ų7516%0.16238%0.384CS..  trans-58.8133.9170.1-163.1-81.2000109.5D127 S128 V321H125-D127 PolarHBondContact ND1-N 2.93Å; H125-D127 PolarHBondContact O-N 2.66Å; H125-D127 VanDerWaalsContact O-N 3.08Å; H125-S128 WeakPolarHBondContact O-CB 3.36Å; H125-S128 PolarHBondContact O-N 3.23Å; H125-V321 WeakPolarHBondContact NE2-CB 3.48Å; H125-V321 WeakPolarHBondContact NE2-CG1 3.44Å
126P59.3Low67.8Low115 Ų11569.4 Ų69.475%0.74735%0.349SS*.THydrogen-bonded Turntrans-56.6-30.1-173.618.4-32.4000114
127D58Low69.1Low34 Ų3468.7 Ų68.718%0.18235%0.353CS..THydrogen-bonded Turntrans-934.1-179.5-75.61000114.3H125 V129 C264 S265 N266H125-D127 PolarHBondContact ND1-N 2.93Å; H125-D127 PolarHBondContact O-N 2.66Å; H125-D127 VanDerWaalsContact O-N 3.08Å; D127-V129 PolarHBondContact O-N 2.63Å; D127-C264 WeakPolarHBondContact O-CA 3.39Å; D127-S265 PolarHBondContact O-N 2.69Å; D127-N266 PolarHBondContact OD2-ND2 3.06Å
128S62.9Low70.3Confident21 Ų2170.3 Ų70.315%0.14736%0.361CS..BIsolated β-bridgetrans-66.5131.4174.1-178.70000110.1H125 S130 Y165H125-S128 WeakPolarHBondContact O-CB 3.36Å; H125-S128 PolarHBondContact O-N 3.23Å; S128-S130 PolarHBondContact O-N 3.43Å; S128-S130 PolarHBondContact OG-N 3.48Å; S128-Y165 PolarHBondContact OG-OH 2.9Å
129V61.3Low71.2Confident99 Ų9968.9 Ų68.960%0.635%0.353SS*.SBendtrans-72.3-17.3175.5-177.10000111D127 H263D127-V129 PolarHBondContact O-N 2.63Å; V129-H263 VanDerWaalsContact CB-CE1 3.4Å; V129-H263 WeakPolarHBondContact CB-CE1 3.45Å
130S63.8Low71.9Confident23 Ų2365.7 Ų65.716%0.16135%0.345CS..  trans-94.5143.3-179.3-171.50000111.2S128 D132 D163 H263S128-S130 PolarHBondContact O-N 3.43Å; S128-S130 PolarHBondContact OG-N 3.48Å; S130-D132 PolarHBondContact OG-O 3.22Å; S130-D163 WeakPolarHBondContact CB-OD1 2.95Å; S130-D163 VanDerWaalsContact OG-CG 3.31Å; S130-D163 PolarHBondContact OG-OD1 3.5Å; S130-H263 PolarHBondContact N-CE1 2.91Å
131R64.6Low72.5Confident233 Ų23361.3 Ų61.388%0.87933%0.332SS*.SBendtrans-86.2-19.8-180-71.2-174.6173.5-178.6-0.3113
132D74.8Confident73.3Confident73 Ų7360.1 Ų60.139%0.3933%0.327SS..  trans-119.6112.7-176.4-68.1-58.4000108.8R120 S130 F134 D163R120-D132 IonicContact NH2-OD1 3.62Å; S130-D132 PolarHBondContact OG-O 3.22Å; D132-F134 HydrophobicContact CB-CD2 4.46Å; D132-F134 HydrophobicContact CB-CE2 3.58Å; D132-F134 HydrophobicContact CB-CZ 3.95Å; D132-D163 WeakPolarHBondContact O-CB 3.44Å
133C81.5Confident74.7Confident2 Ų252.2 Ų52.21%0.01429%0.285CS..  trans-113.9127.7177.9-46.70000110.2M121 C124 Y165M121-C133 HydrophobicContact CB-CB 4.46Å; M121-C133 PolarHBondContact N-O 3.06Å; M121-C133 HydrophobicContact SD-CB 3.91Å; C124-C133 VanDerWaalsContact CA-SG 3.56Å; C124-C133 HydrophobicContact CB-CB 4.09Å; C124-C133 WeakPolarHBondContact CB-SG 3.36Å; C124-C133 WeakPolarHBondContact SG-CB 3.15Å; C124-C133 PolarHBondContact SG-N 3.19Å; C124-C133 VanDerWaalsContact SG-N 3.36Å; C124-C133 CovalentContact SG-SG 2.03Å; C124-C133 PolarHBondContact SG-SG 2.83Å; C133-Y165 HydrophobicContact CB-CD2 3.89Å; C133-Y165 HydrophobicContact CB-CE2 3.94Å
134F84.9Confident75.7Confident25 Ų2551 Ų5111%0.1127%0.274CS..EExtended strand (participates in β ladder)trans-126.8143.2-178-55.8-84.8000111.2L118 W119 R120 D132 D163 L164 Y165L118-F134 HydrophobicContact CD1-CB 3.55Å; L118-F134 HydrophobicContact CD1-CG 4.28Å; L118-F134 HydrophobicContact CD2-CB 3.93Å; L118-F134 HydrophobicContact CD2-CD1 3.64Å; L118-F134 HydrophobicContact CD2-CD2 4.3Å; L118-F134 HydrophobicContact CD2-CE1 4.18Å; L118-F134 HydrophobicContact CD2-CG 3.72Å; L118-F134 HydrophobicContact CG-CB 3.68Å; L118-F134 HydrophobicContact CG-CD1 3.9Å; L118-F134 HydrophobicContact CG-CG 3.97Å; W119-F134 CarbonylContact O-C 3.58Å; W119-F134 WeakPolarHBondContact O-CA 3.34Å; R120-F134 HydrophobicContact CB-CD1 3.95Å; R120-F134 HydrophobicContact CB-CE1 3.97Å; R120-F134 HydrophobicContact CG-CE1 4.34Å; D132-F134 HydrophobicContact CB-CD2 4.46Å; D132-F134 HydrophobicContact CB-CE2 3.58Å; D132-F134 HydrophobicContact CB-CZ 3.95Å; F134-D163 HydrophobicContact CD2-CB 4.25Å; F134-D163 PolarHBondContact N-O 3.09Å; F134-L164 HydrophobicContact CB-CD2 4.23Å; F134-Y165 PolarHBondContact O-N 3.45Å
135T85.9Confident76.2Confident26 Ų2649.2 Ų49.216%0.1626%0.263CS..EExtended strand (participates in β ladder)trans-105.2154.9166.355.10000109.3L118 W119 M121L118-T135 WeakPolarHBondContact CA-O 3.33Å; L118-T135 WeakPolarHBondContact CD1-O 3.38Å; W119-T135 PolarHBondContact N-O 3.22Å; W119-T135 PolarHBondContact O-N 3.3Å; W119-T135 PolarHBondContact O-OG1 3.36Å; M121-T135 HydrophobicContact CG-CG2 3.62Å; M121-T135 HydrophobicContact SD-CG2 3.61Å
136F86.1Confident76.7Confident9 Ų948.6 Ų48.64%0.03926%0.261CS..EExtended strand (participates in β ladder)trans-134.5146.1-174.856.3-88.2000110.8P117 L118 V142 L164 Y165 L166 L174 V206 Q210P117-F136 WeakPolarHBondContact O-CA 3.36Å; L118-F136 HydrophobicContact CD1-CB 4.12Å; F136-V142 HydrophobicContact CB-CG2 3.46Å; F136-V142 VanDerWaalsContact CB-CG2 3.46Å; F136-V142 HydrophobicContact CD1-CG2 4.37Å; F136-V142 HydrophobicContact CD2-CG2 3.85Å; F136-V142 HydrophobicContact CG-CG2 3.62Å; F136-L164 HydrophobicContact CD1-CB 4.15Å; F136-L164 HydrophobicContact CD1-CD2 4.09Å; F136-L164 HydrophobicContact CE1-CB 4.16Å; F136-Y165 WeakPolarHBondContact CE1-O 2.94Å; F136-L166 HydrophobicContact CZ-CD2 4.19Å; F136-L174 HydrophobicContact CD1-CD1 4.36Å; F136-L174 HydrophobicContact CE1-CD1 3.67Å; F136-L174 HydrophobicContact CE1-CD2 4.07Å; F136-L174 HydrophobicContact CE1-CG 3.7Å; F136-L174 HydrophobicContact CE2-CD1 4.45Å; F136-L174 HydrophobicContact CZ-CD1 3.74Å; F136-L174 HydrophobicContact CZ-CD2 3.58Å; F136-L174 HydrophobicContact CZ-CG 3.74Å; F136-V206 HydrophobicContact CD2-CG1 4.06Å; F136-V206 HydrophobicContact CE2-CG1 3.36Å; F136-V206 HydrophobicContact CZ-CG1 4.13Å; F136-Q210 HydrophobicContact CE2-CG 4.1Å
137T84.1Confident77.3Confident89 Ų8944.7 Ų44.755%0.54624%0.236SC..SBendtrans-109-34.7176.753.50000112.2P117 Q210P117-T137 PolarHBondContact O-N 3.22Å; T137-Q210 PolarHBondContact O-NE2 3.49Å
138D85.3Confident77.4Confident55 Ų5545 Ų4529%0.29425%0.247SC..  trans-102115.8-179.3-179.734.4000112.1L140 T141 V142D138-L140 PolarHBondContact OD1-N 3.21Å; D138-T141 VanDerWaalsContact OD2-CB 3.3Å; D138-T141 WeakPolarHBondContact OD2-CB 3.32Å; D138-T141 PolarHBondContact OD2-N 3.4Å; D138-T141 PolarHBondContact OD2-OG1 3.48Å; D138-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 PolarHBondContact O-N 3.11Å
139A85.3Confident77Confident1 Ų151 Ų511%0.00827%0.273CS..Hα-helixtrans-65.3-35.9179.100000113V142 C143 A203 V206 R207A139-V142 PolarHBondContact O-N 3.43Å; A139-C143 PolarHBondContact O-N 2.96Å; A139-C143 PolarHBondContact O-SG 3.41Å; A139-C143 VanDerWaalsContact O-SG 3.35Å; A139-A203 HydrophobicContact CB-CB 4.29Å; A139-V206 HydrophobicContact CB-CB 3.81Å; A139-V206 HydrophobicContact CB-CG1 3.64Å; A139-R207 HydrophobicContact CB-CG 3.75Å
140L84Confident76.5Confident58 Ų5855 Ų5530%0.30429%0.285SS..Hα-helixtrans-68.5-46.7-178-75.4166.7000110.9D138 V142 C143 L144 A203D138-L140 PolarHBondContact OD1-N 3.21Å; L140-V142 VanDerWaalsContact C-N 3.28Å; L140-V142 PolarHBondContact O-N 3.09Å; L140-C143 PolarHBondContact O-N 3.32Å; L140-L144 WeakPolarHBondContact O-CB 3.38Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.14Å; L140-A203 HydrophobicContact CD2-CB 3.6Å; L140-A203 HydrophobicContact CG-CB 4.12Å
141T83.2Confident75.7Confident34 Ų3461.3 Ų61.321%0.20931%0.312CS..Hα-helixtrans-59.4-39.5176.8-59.20000112.2I111 P117 D138 G145I111-T141 HydrophobicContact CD1-CG2 3.9Å; P117-T141 HydrophobicContact CB-CG2 3.77Å; P117-T141 HydrophobicContact CG-CG2 3.78Å; D138-T141 VanDerWaalsContact OD2-CB 3.3Å; D138-T141 WeakPolarHBondContact OD2-CB 3.32Å; D138-T141 PolarHBondContact OD2-N 3.4Å; D138-T141 PolarHBondContact OD2-OG1 3.48Å; T141-G145 PolarHBondContact O-N 2.98Å
142V83.8Confident74.7Confident9 Ų960.1 Ų60.16%0.05532%0.316CS..Hα-helixtrans-62.3-51.2175.7169.30000110.8F136 D138 A139 L140 L144 G145 L146 L164 L174F136-V142 HydrophobicContact CB-CG2 3.46Å; F136-V142 VanDerWaalsContact CB-CG2 3.46Å; F136-V142 HydrophobicContact CD1-CG2 4.37Å; F136-V142 HydrophobicContact CD2-CG2 3.85Å; F136-V142 HydrophobicContact CG-CG2 3.62Å; D138-V142 WeakPolarHBondContact O-CG2 3.49Å; D138-V142 PolarHBondContact O-N 3.11Å; A139-V142 PolarHBondContact O-N 3.43Å; L140-V142 VanDerWaalsContact C-N 3.28Å; L140-V142 PolarHBondContact O-N 3.09Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 2.93Å; V142-G145 PolarHBondContact O-N 2.87Å; V142-G145 VanDerWaalsContact O-N 3.13Å; V142-L146 HydrophobicContact CG1-CD1 4.15Å; V142-L146 WeakPolarHBondContact O-CG 3.41Å; V142-L146 PolarHBondContact O-N 3.31Å; V142-L146 VanDerWaalsContact O-N 3.13Å; V142-L164 HydrophobicContact CG1-CD1 3.6Å; V142-L174 HydrophobicContact CG1-CD1 3.81Å
143C84.8Confident73.5Confident3 Ų360.7 Ų60.72%0.0234%0.34CS..Hα-helixtrans-65.6-33.4-179-66.60000113A139 L140 L146 S147 L199 C202 A203A139-C143 PolarHBondContact O-N 2.96Å; A139-C143 PolarHBondContact O-SG 3.41Å; A139-C143 VanDerWaalsContact O-SG 3.35Å; L140-C143 PolarHBondContact O-N 3.32Å; C143-L146 PolarHBondContact O-N 3.1Å; C143-S147 PolarHBondContact O-N 3.39Å; C143-L199 HydrophobicContact CB-CD2 4Å; C143-L199 HydrophobicContact CB-CG 4.37Å; C143-C202 HydrophobicContact CB-CB 3.76Å; C143-C202 WeakPolarHBondContact CB-SG 2.98Å; C143-C202 WeakPolarHBondContact SG-CB 3.4Å; C143-C202 CovalentContact SG-SG 2.05Å; C143-C202 PolarHBondContact SG-SG 3.39Å; C143-A203 PolarHBondContact SG-N 3.36Å
144L82.3Confident71.7Confident85 Ų8565.6 Ų65.645%0.44537%0.37SS..Hα-helixtrans-63.6-41.1171.1-74.8165.3000112L140 V142 L146 S147 L199L140-L144 WeakPolarHBondContact O-CB 3.38Å; L140-L144 VanDerWaalsContact O-CG 3.29Å; L140-L144 WeakPolarHBondContact O-CG 3.48Å; L140-L144 PolarHBondContact O-N 3.14Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 2.93Å; L144-L146 PolarHBondContact O-N 3.33Å; L144-S147 PolarHBondContact O-N 3.46Å; L144-S147 PolarHBondContact O-OG 2.94Å; L144-L199 HydrophobicContact CD2-CD1 3.61Å; L144-L199 HydrophobicContact CD2-CD2 3.84Å; L144-L199 HydrophobicContact CD2-CG 4.38Å; L144-L199 HydrophobicContact CG-CD1 4.31Å; L144-L199 HydrophobicContact CG-CD2 3.78Å
145G77.3Confident69.7Low5 Ų574 Ų745%0.05241%0.409CS..Hα-helixtrans-68.3-20.8176.400000113.9T141 V142 V159T141-G145 PolarHBondContact O-N 2.98Å; V142-G145 PolarHBondContact O-N 2.87Å; V142-G145 VanDerWaalsContact O-N 3.13Å; G145-V159 PolarHBondContact O-N 3.41Å
146L77.4Confident68Low22 Ų2275.2 Ų75.212%0.11542%0.419CS..Hα-helixtrans-87.5-33.3176.4-65.7175.5000113V142 C143 L144 G148 V159 L161V142-L146 HydrophobicContact CG1-CD1 4.15Å; V142-L146 WeakPolarHBondContact O-CG 3.41Å; V142-L146 PolarHBondContact O-N 3.31Å; V142-L146 VanDerWaalsContact O-N 3.13Å; C143-L146 PolarHBondContact O-N 3.1Å; L144-L146 PolarHBondContact O-N 3.33Å; L146-G148 VanDerWaalsContact C-N 3.27Å; L146-G148 PolarHBondContact O-N 3.23Å; L146-V159 WeakPolarHBondContact CD2-O 2.98Å; L146-L161 HydrophobicContact CD1-CD2 3.59Å; L146-L161 HydrophobicContact CD1-CG 3.95Å; L146-L161 HydrophobicContact CD2-CD1 4.44Å; L146-L161 HydrophobicContact CD2-CD2 4.26Å; L146-L161 HydrophobicContact CD2-CG 3.76Å
147S71.6Confident66.5Low32 Ų3276.6 Ų76.622%0.22443%0.432CS..Hα-helixtrans-73.7-15.6-176.164.30000113.9C143 L144 E149C143-S147 PolarHBondContact O-N 3.39Å; L144-S147 PolarHBondContact O-N 3.46Å; L144-S147 PolarHBondContact O-OG 2.94Å; S147-E149 PolarHBondContact O-N 2.95Å; S147-E149 VanDerWaalsContact O-N 3.11Å
148G61.3Low65.6Low41 Ų4180.4 Ų80.442%0.42344%0.437SS..  trans612317000000114.9L146 E150L146-G148 VanDerWaalsContact C-N 3.27Å; L146-G148 PolarHBondContact O-N 3.23Å; G148-E150 PolarHBondContact O-N 3.33Å
149E54.5Low65Low146 Ų14678.7 Ų78.768%0.68243%0.429SS*.  trans-67.8100.5173.1-84.7-178.5130.800109.1S147 E151S147-E149 PolarHBondContact O-N 2.95Å; S147-E149 VanDerWaalsContact O-N 3.11Å; E149-E151 VanDerWaalsContact C-N 3.26Å; E149-E151 PolarHBondContact O-N 2.9Å
150E49.7Very low64.9Low185 Ų18582 Ų8286%0.86445%0.447SS*.  trans-65.286164.2-70.1-177.2161.600108.6G148 E152G148-E150 PolarHBondContact O-N 3.33Å; E150-E152 PolarHBondContact O-N 3.48Å
151E46.9Very low64.8Low154 Ų15480.2 Ų80.272%0.7244%0.437SS*.  trans-67.8117.9156.4-87.9-166.5155.300107.9E149 G153 T154E149-E151 VanDerWaalsContact C-N 3.26Å; E149-E151 PolarHBondContact O-N 2.9Å; E151-G153 PolarHBondContact O-N 2.04Å; E151-T154 PolarHBondContact O-N 3.04Å; E151-T154 VanDerWaalsContact O-N 3.14Å
152E44Very low64.8Low208 Ų20879 Ų7997%0.97243%0.43SS*.THydrogen-bonded Turntrans-44.1102177.4-80-175.314300111.1E150E150-E152 PolarHBondContact O-N 3.48Å
153G48.9Very low64.9Low85 Ų8579.9 Ų79.988%0.87643%0.434SS*.THydrogen-bonded Turntrans120.8-12.7171.500000116.4E151E151-G153 PolarHBondContact O-N 2.04Å
154T45.4Very low65Low105 Ų10579.7 Ų79.764%0.64443%0.433SS*.  trans-117.4110.9175-42.50000109.7E151 S156E151-T154 PolarHBondContact O-N 3.04Å; E151-T154 VanDerWaalsContact O-N 3.14Å; T154-S156 VanDerWaalsContact C-N 3.29Å; T154-S156 PolarHBondContact O-N 2.99Å
155Q42.3Very low65.3Low202 Ų20276.1 Ų76.194%0.94441%0.414SS*.  trans-68.884.8-178.3-151157.49.100109.2A157Q155-A157 PolarHBondContact O-N 2.03Å; Q155-A157 VanDerWaalsContact O-N 3.17Å
156S49.3Very low66Low52 Ų5276 Ų7636%0.36441%0.412SS..  trans-66.6112.4176.3-169.80000108.1T154 Y158T154-S156 VanDerWaalsContact C-N 3.29Å; T154-S156 PolarHBondContact O-N 2.99Å; S156-Y158 PolarHBondContact O-N 2.98Å; S156-Y158 VanDerWaalsContact O-N 3.13Å
157A55.8Low66.6Low37 Ų3778.8 Ų78.831%0.30643%0.433SS..  trans-69111.3178.700000108.5I109 Q155 V159I109-A157 HydrophobicContact CB-CB 4.44Å; I109-A157 HydrophobicContact CD1-CB 3.77Å; I109-A157 HydrophobicContact CG1-CB 3.89Å; I109-A157 HydrophobicContact CG2-CB 3.7Å; Q155-A157 PolarHBondContact O-N 2.03Å; Q155-A157 VanDerWaalsContact O-N 3.17Å; A157-V159 WeakPolarHBondContact O-CG2 3.43Å; A157-V159 PolarHBondContact O-N 2.56Å; A157-V159 VanDerWaalsContact O-N 3.13Å
158Y64.4Low67.6Low169 Ų16978.2 Ų78.266%0.66343%0.427SS*.PPolyproline II helixtrans-56.4116.2172.6-178.8-97000109.5S156S156-Y158 PolarHBondContact O-N 2.98Å; S156-Y158 VanDerWaalsContact O-N 3.13Å
159V73.7Confident69Low20 Ų2076.2 Ų76.212%0.12141%0.407CS..PPolyproline II helixtrans-99.5138178.2-170.30000108.7I109 G145 L146 A157 L164I109-V159 HydrophobicContact CD1-CG2 4.34Å; G145-V159 PolarHBondContact O-N 3.41Å; L146-V159 WeakPolarHBondContact CD2-O 2.98Å; A157-V159 WeakPolarHBondContact O-CG2 3.43Å; A157-V159 PolarHBondContact O-N 2.56Å; A157-V159 VanDerWaalsContact O-N 3.13Å; V159-L164 HydrophobicContact CG1-CD1 3.68Å; V159-L164 HydrophobicContact CG1-CD2 3.75Å; V159-L164 HydrophobicContact CG1-CG 3.74Å
160N82.3Confident70.6Confident71 Ų7171.7 Ų71.738%0.3839%0.387SS..PPolyproline II helixtrans-92.7134.3178.1-162.9-12.8000110.9S162 D163N160-S162 PolarHBondContact ND2-OG 3.07Å; N160-S162 PolarHBondContact O-N 2.85Å; N160-S162 PolarHBondContact OD1-N 3.41Å; N160-S162 PolarHBondContact OD1-OG 3.33Å; N160-D163 HydrophobicContact CB-CB 4.45Å; N160-D163 PolarHBondContact O-N 3.19Å
161L82.4Confident72.4Confident20 Ų2063.6 Ų63.611%0.10535%0.351CS..G310 helixtrans-58.8-29.9177.4-81.4157.5000112.9L146 D163 L174 L175 F178 L191L146-L161 HydrophobicContact CD1-CD2 3.59Å; L146-L161 HydrophobicContact CD1-CG 3.95Å; L146-L161 HydrophobicContact CD2-CD1 4.44Å; L146-L161 HydrophobicContact CD2-CD2 4.26Å; L146-L161 HydrophobicContact CD2-CG 3.76Å; L161-D163 PolarHBondContact O-N 2.74Å; L161-L174 HydrophobicContact CD2-CB 3.67Å; L161-L174 HydrophobicContact CD2-CD1 4.34Å; L161-L175 HydrophobicContact CB-CB 4Å; L161-L175 HydrophobicContact CB-CD1 4.25Å; L161-L175 PolarHBondContact O-N 3.5Å; L161-F178 HydrophobicContact CD2-CD2 3.88Å; L161-F178 HydrophobicContact CD2-CE2 4.05Å; L161-L191 HydrophobicContact CD1-CD1 4.18Å
162S83.5Confident74.3Confident8 Ų856.3 Ų56.36%0.05632%0.317CS..G310 helixtrans-68.1-23.3177.458.70000113.7N160 Y165N160-S162 PolarHBondContact ND2-OG 3.07Å; N160-S162 PolarHBondContact O-N 2.85Å; N160-S162 PolarHBondContact OD1-N 3.41Å; N160-S162 PolarHBondContact OD1-OG 3.33Å; S162-Y165 WeakPolarHBondContact O-CE2 3.46Å; S162-Y165 PolarHBondContact O-OH 3.19Å
163D85.3Confident76.5Confident27 Ų2746.4 Ų46.414%0.14427%0.27CS..G310 helixtrans-97.1-6.5-172.3-60.1-12.8000111.5S130 D132 F134 N160 L161S130-D163 WeakPolarHBondContact CB-OD1 2.95Å; S130-D163 VanDerWaalsContact OG-CG 3.31Å; S130-D163 PolarHBondContact OG-OD1 3.5Å; D132-D163 WeakPolarHBondContact O-CB 3.44Å; F134-D163 HydrophobicContact CD2-CB 4.25Å; F134-D163 PolarHBondContact N-O 3.09Å; N160-D163 HydrophobicContact CB-CB 4.45Å; N160-D163 PolarHBondContact O-N 3.19Å; L161-D163 PolarHBondContact O-N 2.74Å
164L86.9Confident78.3Confident0 Ų042.3 Ų42.30%023%0.229CC..EExtended strand (participates in β ladder)trans-100.3111.7-178.2-68175.3000110.6L118 F134 F136 V142 V159 S173 L174L118-L164 HydrophobicContact CD1-CD2 3.46Å; L118-L164 VanDerWaalsContact CD1-CD2 3.46Å; F134-L164 HydrophobicContact CB-CD2 4.23Å; F136-L164 HydrophobicContact CD1-CB 4.15Å; F136-L164 HydrophobicContact CD1-CD2 4.09Å; F136-L164 HydrophobicContact CE1-CB 4.16Å; V142-L164 HydrophobicContact CG1-CD1 3.6Å; V159-L164 HydrophobicContact CG1-CD1 3.68Å; V159-L164 HydrophobicContact CG1-CD2 3.75Å; V159-L164 HydrophobicContact CG1-CG 3.74Å; L164-S173 CarbonylContact O-C 3.45Å; L164-S173 WeakPolarHBondContact O-CA 3.34Å; L164-L174 HydrophobicContact CB-CB 4.33Å; L164-L174 HydrophobicContact CB-CD1 3.82Å; L164-L174 HydrophobicContact CB-CG 4.06Å; L164-L174 HydrophobicContact CD1-CD1 3.81Å; L164-L174 HydrophobicContact CG-CD1 4.47Å; L164-L174 PolarHBondContact O-N 2.75Å
165Y89.1Confident80.2Confident10 Ų1039.1 Ų39.14%0.03921%0.207CC..EExtended strand (participates in β ladder)trans-110.9153.5-178.5-68.1-92.9000111.9S128 C133 F134 F136 S162 N170 Y172S128-Y165 PolarHBondContact OG-OH 2.9Å; C133-Y165 HydrophobicContact CB-CD2 3.89Å; C133-Y165 HydrophobicContact CB-CE2 3.94Å; F134-Y165 PolarHBondContact O-N 3.45Å; F136-Y165 WeakPolarHBondContact CE1-O 2.94Å; S162-Y165 WeakPolarHBondContact O-CE2 3.46Å; S162-Y165 PolarHBondContact O-OH 3.19Å; Y165-N170 WeakPolarHBondContact CD1-O 3.45Å; Y165-Y172 WeakPolarHBondContact CA-O 3.45Å; Y165-Y172 WeakPolarHBondContact CD1-O 3.43Å
166L90.7Very high82.3Confident2 Ų229.7 Ų29.71%0.0116%0.163CC..  trans-65156.5170.5-66.8-179.3000111.9F136 C169 Y172 L177 D213 F257F136-L166 HydrophobicContact CZ-CD2 4.19Å; L166-C169 HydrophobicContact CB-CB 4.43Å; L166-C169 HydrophobicContact CD1-CB 4.15Å; L166-Y172 PolarHBondContact N-O 3.33Å; L166-L177 HydrophobicContact CD1-CD1 3.88Å; L166-L177 HydrophobicContact CD2-CD1 4.11Å; L166-L177 HydrophobicContact CG-CD1 4.02Å; L166-D213 HydrophobicContact CD1-CB 4.23Å; L166-D213 HydrophobicContact CD2-CB 4.45Å; L166-F257 HydrophobicContact CD1-CD2 4.27Å; L166-F257 HydrophobicContact CD1-CE1 4.05Å; L166-F257 HydrophobicContact CD1-CE2 3.52Å; L166-F257 HydrophobicContact CD1-CZ 3.38Å
167S90.4Very high84.2Confident80 Ų8027.2 Ų27.256%0.55915%0.146SC*.SBendtrans-73.5-46.8-173.966.20000112.6D213S167-D213 PolarHBondContact N-OD2 3.04Å; S167-D213 PolarHBondContact OG-OD2 3.22Å
168F92.1Very high85.5Confident20 Ų2025.7 Ų25.79%0.08813%0.132CC..SBendtrans-93.4-56179173.9-103.9000110.8N170 D213 A216 E217 Y220 K249F168-N170 PolarHBondContact O-N 3.01Å; F168-N170 PolarHBondContact O-OD1 2.81Å; F168-D213 WeakPolarHBondContact CB-OD1 3.38Å; F168-D213 PolarHBondContact N-OD1 2.99Å; F168-D213 PolarHBondContact N-OD2 3.22Å; F168-A216 HydrophobicContact CD1-CB 4.01Å; F168-A216 HydrophobicContact CE1-CB 4.02Å; F168-E217 HydrophobicContact CB-CB 4.02Å; F168-E217 HydrophobicContact CB-CG 4.4Å; F168-E217 HydrophobicContact CD1-CB 4.04Å; F168-E217 HydrophobicContact CD2-CB 3.89Å; F168-E217 HydrophobicContact CD2-CG 3.74Å; F168-E217 HydrophobicContact CE2-CB 4.4Å; F168-E217 HydrophobicContact CE2-CG 4.22Å; F168-E217 HydrophobicContact CG-CB 3.7Å; F168-E217 HydrophobicContact CG-CG 4.06Å; F168-Y220 AromaticContact CE2-CD1 3.89Å; F168-Y220 HydrophobicContact CE2-CD1 3.89Å; F168-Y220 AromaticContact CE2-CG 4Å; F168-Y220 HydrophobicContact CE2-CG 4Å; F168-Y220 VanDerWaalsContact CZ-CB 3.42Å; F168-Y220 AromaticContact CZ-CD1 3.93Å; F168-Y220 HydrophobicContact CZ-CD1 3.93Å; F168-Y220 HydrophobicContact CZ-CD2 4.07Å; F168-Y220 AromaticContact CZ-CG 3.53Å; F168-Y220 HydrophobicContact CZ-CG 3.53Å; F168-K249 HydrophobicContact CE1-CG 4.34Å; F168-K249 HydrophobicContact CE2-CD 4.23Å; F168-K249 HydrophobicContact CE2-CG 4.4Å; F168-K249 HydrophobicContact CZ-CD 4.17Å; F168-K249 HydrophobicContact CZ-CG 3.84Å; F168-K249 WeakPolarHBondContact O-CE 3.2Å; F168-K249 PolarHBondContact O-NZ 3.27Å
169C91.7Very high86.2Confident0 Ų025.3 Ų25.30%013%0.131CC..SBendtrans-79.360.4176.8-69.90000112.2L166 S171 Y172 D213 C253 F257L166-C169 HydrophobicContact CB-CB 4.43Å; L166-C169 HydrophobicContact CD1-CB 4.15Å; C169-S171 PolarHBondContact O-N 2.92Å; C169-Y172 HydrophobicContact CB-CD2 4.13Å; C169-Y172 PolarHBondContact O-N 2.62Å; C169-D213 WeakPolarHBondContact CB-OD1 3.32Å; C169-D213 PolarHBondContact N-OD1 2.91Å; C169-C253 WeakPolarHBondContact CA-SG 3.17Å; C169-C253 HydrophobicContact CB-CB 3.81Å; C169-C253 WeakPolarHBondContact CB-SG 2.98Å; C169-C253 WeakPolarHBondContact SG-CB 3.47Å; C169-C253 CovalentContact SG-SG 2.04Å; C169-C253 PolarHBondContact SG-SG 3.24Å; C169-F257 HydrophobicContact CB-CD2 4.33Å; C169-F257 HydrophobicContact CB-CE2 4.02Å
170N88.3Confident86Confident50 Ų5026.1 Ų26.127%0.26714%0.143SC..THydrogen-bonded Turntrans-65.64-173.868.4-39.5000116.3M121 Y165 F168 K249M121-N170 HydrophobicContact CE-CB 3.78Å; Y165-N170 WeakPolarHBondContact CD1-O 3.45Å; F168-N170 PolarHBondContact O-N 3.01Å; F168-N170 PolarHBondContact O-OD1 2.81Å; N170-K249 PolarHBondContact OD1-NZ 2.83Å; N170-K249 VanDerWaalsContact OD1-NZ 3.09Å
171S85.9Confident85.2Confident15 Ų1523.4 Ų23.411%0.10513%0.128CC..THydrogen-bonded Turntrans-87.8-15168.457.40000113C169 Q261C169-S171 PolarHBondContact O-N 2.92Å; S171-Q261 PolarHBondContact O-OE1 3.47Å
172Y88.3Confident84.2Confident1 Ų128.2 Ų28.20%0.00416%0.158CC..  trans-103.1124.6-177.2-69.8-95000110.6Y165 L166 C169 L177 C253 S254 F257 T259 Q261Y165-Y172 WeakPolarHBondContact CA-O 3.45Å; Y165-Y172 WeakPolarHBondContact CD1-O 3.43Å; L166-Y172 PolarHBondContact N-O 3.33Å; C169-Y172 HydrophobicContact CB-CD2 4.13Å; C169-Y172 PolarHBondContact O-N 2.62Å; Y172-L177 HydrophobicContact CD1-CD2 4.31Å; Y172-C253 HydrophobicContact CD2-CB 4.34Å; Y172-C253 HydrophobicContact CE2-CB 3.77Å; Y172-S254 WeakPolarHBondContact OH-CA 3.22Å; Y172-F257 HydrophobicContact CD1-CB 3.94Å; Y172-F257 HydrophobicContact CD2-CD2 4.44Å; Y172-F257 HydrophobicContact CE1-CB 3.62Å; Y172-F257 HydrophobicContact CE2-CB 4.44Å; Y172-F257 HydrophobicContact CG-CB 4.45Å; Y172-F257 PolarHBondContact OH-O 3.18Å; Y172-T259 HydrophobicContact CD1-CG2 4Å; Y172-T259 HydrophobicContact CE1-CG2 3.86Å; Y172-Q261 HydrophobicContact CD1-CG 4Å; Y172-Q261 HydrophobicContact CE1-CG 3.8Å; Y172-Q261 PolarHBondContact OH-NE2 3.05Å
173S88.8Confident82.9Confident0 Ų028.9 Ų28.90%016%0.163CC..BIsolated β-bridgetrans-89.5159.9170.470.40000111.2L164 L175 D176 L177L164-S173 CarbonylContact O-C 3.45Å; L164-S173 WeakPolarHBondContact O-CA 3.34Å; S173-L175 PolarHBondContact O-N 3.08Å; S173-D176 WeakPolarHBondContact CB-OD2 3.48Å; S173-D176 PolarHBondContact N-OD2 3.44Å; S173-D176 PolarHBondContact O-N 3.33Å; S173-D176 PolarHBondContact OG-N 3.22Å; S173-D176 PolarHBondContact OG-OD2 2.89Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.24Å
174L87.4Confident81.4Confident0 Ų033 Ų330%019%0.191CC..Hα-helixtrans-59.9-33.5172.1-75.9-176.5000111.7F136 V142 L161 L164 D176 L177 F178 V206 Y209F136-L174 HydrophobicContact CD1-CD1 4.36Å; F136-L174 HydrophobicContact CE1-CD1 3.67Å; F136-L174 HydrophobicContact CE1-CD2 4.07Å; F136-L174 HydrophobicContact CE1-CG 3.7Å; F136-L174 HydrophobicContact CE2-CD1 4.45Å; F136-L174 HydrophobicContact CZ-CD1 3.74Å; F136-L174 HydrophobicContact CZ-CD2 3.58Å; F136-L174 HydrophobicContact CZ-CG 3.74Å; V142-L174 HydrophobicContact CG1-CD1 3.81Å; L161-L174 HydrophobicContact CD2-CB 3.67Å; L161-L174 HydrophobicContact CD2-CD1 4.34Å; L164-L174 HydrophobicContact CB-CB 4.33Å; L164-L174 HydrophobicContact CB-CD1 3.82Å; L164-L174 HydrophobicContact CB-CG 4.06Å; L164-L174 HydrophobicContact CD1-CD1 3.81Å; L164-L174 HydrophobicContact CG-CD1 4.47Å; L164-L174 PolarHBondContact O-N 2.75Å; L174-D176 PolarHBondContact O-N 3.23Å; L174-L177 HydrophobicContact CD2-CD1 4.26Å; L174-L177 PolarHBondContact O-N 3.45Å; L174-F178 HydrophobicContact CB-CD2 4.29Å; L174-F178 HydrophobicContact CB-CE2 4.35Å; L174-F178 HydrophobicContact CD2-CE2 4.37Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 2.87Å; L174-V206 HydrophobicContact CD1-CG2 4.45Å; L174-V206 HydrophobicContact CD2-CG2 4.42Å; L174-Y209 HydrophobicContact CD2-CD2 4.19Å
175L86.1Confident79.8Confident38 Ų3838.7 Ų38.720%0.19922%0.222CC..Hα-helixtrans-59.4-46.1175.3-174.665.6000112L161 S173 L177 Y179 L191 I262L161-L175 HydrophobicContact CB-CB 4Å; L161-L175 HydrophobicContact CB-CD1 4.25Å; L161-L175 PolarHBondContact O-N 3.5Å; S173-L175 PolarHBondContact O-N 3.08Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 PolarHBondContact O-N 2.8Å; L175-Y179 VanDerWaalsContact O-CB 3.28Å; L175-Y179 WeakPolarHBondContact O-CB 3.5Å; L175-Y179 PolarHBondContact O-N 3.2Å; L175-Y179 VanDerWaalsContact O-N 3.09Å; L175-L191 HydrophobicContact CD1-CD1 4.37Å; L175-I262 HydrophobicContact CD2-CD1 3.9Å; L175-I262 HydrophobicContact CG-CD1 4.12Å
176D87Confident78Confident3 Ų344.9 Ų44.92%0.01626%0.26CS..Hα-helixtrans-60.8-41.4178.2-57.2-56000110.7S173 L174 Y179 G180 T259 I262S173-D176 WeakPolarHBondContact CB-OD2 3.48Å; S173-D176 PolarHBondContact N-OD2 3.44Å; S173-D176 PolarHBondContact O-N 3.33Å; S173-D176 PolarHBondContact OG-N 3.22Å; S173-D176 PolarHBondContact OG-OD2 2.89Å; L174-D176 PolarHBondContact O-N 3.23Å; D176-Y179 PolarHBondContact O-N 2.93Å; D176-G180 PolarHBondContact O-N 3.45Å; D176-T259 HydrophobicContact CB-CG2 4.5Å; D176-T259 PolarHBondContact O-OG1 3.17Å; D176-I262 WeakPolarHBondContact OD1-CG1 3.41Å; D176-I262 PolarHBondContact OD1-N 3.25Å
177L87.6Confident76.7Confident0 Ų048.2 Ų48.20%028%0.278CS..Hα-helixtrans-68.7-45.6-178-62.7173.5000112.6L166 Y172 S173 L174 L175 Y179 F181 Y209 F257 T259L166-L177 HydrophobicContact CD1-CD1 3.88Å; L166-L177 HydrophobicContact CD2-CD1 4.11Å; L166-L177 HydrophobicContact CG-CD1 4.02Å; Y172-L177 HydrophobicContact CD1-CD2 4.31Å; S173-L177 WeakPolarHBondContact O-CG 3.48Å; S173-L177 PolarHBondContact O-N 3.24Å; L174-L177 HydrophobicContact CD2-CD1 4.26Å; L174-L177 PolarHBondContact O-N 3.45Å; L175-L177 VanDerWaalsContact C-N 3.28Å; L175-L177 PolarHBondContact O-N 2.8Å; L177-Y179 VanDerWaalsContact C-N 3.29Å; L177-Y179 PolarHBondContact O-N 2.04Å; L177-F181 HydrophobicContact CD2-CB 4.5Å; L177-F181 VanDerWaalsContact O-CB 3.27Å; L177-F181 WeakPolarHBondContact O-CB 3.39Å; L177-F181 PolarHBondContact O-N 3.25Å; L177-F181 VanDerWaalsContact O-N 3.07Å; L177-Y209 HydrophobicContact CB-CD2 4.12Å; L177-Y209 HydrophobicContact CB-CE1 4.3Å; L177-Y209 HydrophobicContact CB-CE2 3.78Å; L177-Y209 HydrophobicContact CD1-CD1 4.4Å; L177-Y209 HydrophobicContact CD1-CD2 3.93Å; L177-Y209 HydrophobicContact CD1-CE2 4.45Å; L177-Y209 HydrophobicContact CD1-CG 3.9Å; L177-Y209 PolarHBondContact O-OH 3.32Å; L177-F257 HydrophobicContact CD2-CB 4.17Å; L177-F257 HydrophobicContact CD2-CD1 3.39Å; L177-F257 HydrophobicContact CD2-CE1 3.94Å; L177-F257 HydrophobicContact CD2-CG 3.91Å; L177-T259 HydrophobicContact CD2-CG2 4.27Å
178F84.6Confident75.8Confident5 Ų551.3 Ų51.32%0.02229%0.288CS..Hα-helixtrans-71.2-22.9178.5-78.4-67.4000113.4L161 L174 C189 L191 T194 C205 V206 Y209L161-F178 HydrophobicContact CD2-CD2 3.88Å; L161-F178 HydrophobicContact CD2-CE2 4.05Å; L174-F178 HydrophobicContact CB-CD2 4.29Å; L174-F178 HydrophobicContact CB-CE2 4.35Å; L174-F178 HydrophobicContact CD2-CE2 4.37Å; L174-F178 WeakPolarHBondContact O-CD2 3.37Å; L174-F178 PolarHBondContact O-N 2.87Å; F178-C189 HydrophobicContact CD1-CB 4.42Å; F178-C189 HydrophobicContact CE1-CB 4.4Å; F178-L191 HydrophobicContact CB-CD1 4.16Å; F178-L191 PolarHBondContact O-N 3.44Å; F178-T194 HydrophobicContact CD1-CG2 3.58Å; F178-T194 HydrophobicContact CD2-CG2 3.8Å; F178-T194 HydrophobicContact CE1-CG2 3.52Å; F178-T194 HydrophobicContact CE2-CG2 3.76Å; F178-T194 HydrophobicContact CG-CG2 3.73Å; F178-T194 HydrophobicContact CZ-CG2 3.61Å; F178-C205 HydrophobicContact CE1-CB 3.73Å; F178-C205 HydrophobicContact CZ-CB 4.08Å; F178-V206 HydrophobicContact CE2-CG2 4.17Å; F178-V206 HydrophobicContact CZ-CG2 3.91Å; F178-Y209 HydrophobicContact CD1-CE2 4.33Å; F178-Y209 HydrophobicContact CE1-CE2 4.12Å; F178-Y209 HydrophobicContact CE2-CE2 4.3Å; F178-Y209 HydrophobicContact CZ-CE2 4.1Å
179Y79.3Confident75.1Confident161 Ų16150.9 Ų50.963%0.63129%0.288SS*.Hα-helixtrans-83-29-178.3-167.5-97.6000113.5L175 D176 L177L175-Y179 VanDerWaalsContact O-CB 3.28Å; L175-Y179 WeakPolarHBondContact O-CB 3.5Å; L175-Y179 PolarHBondContact O-N 3.2Å; L175-Y179 VanDerWaalsContact O-N 3.09Å; D176-Y179 PolarHBondContact O-N 2.93Å; L177-Y179 VanDerWaalsContact C-N 3.29Å; L177-Y179 PolarHBondContact O-N 2.04Å
180G67.8Low74.2Confident37 Ų3753.8 Ų53.838%0.38131%0.308SS..Hα-helixtrans-149.810.1-169.600000116.7D176 T259D176-G180 PolarHBondContact O-N 3.45Å; G180-T259 VanDerWaalsContact CA-OG1 3.26Å; G180-T259 WeakPolarHBondContact CA-OG1 3.4Å; G180-T259 PolarHBondContact O-OG1 2.82Å; G180-T259 VanDerWaalsContact O-OG1 3.1Å
181F66.6Low73.3Confident15 Ų1554.1 Ų54.17%0.06631%0.309CS..  trans-107.2110.8177.5-173.2-95000111.8L177 Y209 L212 Y256 F257L177-F181 HydrophobicContact CD2-CB 4.5Å; L177-F181 VanDerWaalsContact O-CB 3.27Å; L177-F181 WeakPolarHBondContact O-CB 3.39Å; L177-F181 PolarHBondContact O-N 3.25Å; L177-F181 VanDerWaalsContact O-N 3.07Å; F181-Y209 HydrophobicContact CD1-CD1 4.3Å; F181-Y209 AromaticContact CD1-CE1 3.59Å; F181-Y209 HydrophobicContact CD1-CE1 3.59Å; F181-Y209 HydrophobicContact CE1-CD1 4.48Å; F181-Y209 HydrophobicContact CE1-CE1 4.11Å; F181-Y209 HydrophobicContact CG-CE1 4.47Å; F181-L212 HydrophobicContact CE1-CD1 3.78Å; F181-L212 HydrophobicContact CZ-CD1 3.76Å; F181-Y256 WeakPolarHBondContact CE2-O 3.43Å; F181-Y256 WeakPolarHBondContact CZ-O 3.42Å; F181-F257 HydrophobicContact CD2-CD1 4.43Å; F181-F257 HydrophobicContact CE2-CD1 4.29Å; F181-F257 HydrophobicContact CZ-CD1 4.42Å
182T60.3Low72.2Confident120 Ų12059.7 Ų59.774%0.73634%0.338SS*.  trans-93.9106.7167.9470000108.9
183S57.1Low71Confident22 Ų2261.2 Ų61.215%0.15435%0.347CS..  trans-64.7136.9172.5-176.60000109.6D185S183-D185 PolarHBondContact O-N 3.32Å; S183-D185 PolarHBondContact OG-N 3.21Å
184P53.5Low69.6Low114 Ų11461.6 Ų61.674%0.7435%0.35SS*.SBendtrans-65.1-17.6173.525.5-33.5000113.2V186P184-V186 VanDerWaalsContact C-N 3.3Å; P184-V186 PolarHBondContact O-N 2.95Å; P184-V186 VanDerWaalsContact O-N 3.12Å
185D53.7Low68.3Low119 Ų11968.8 Ų68.864%0.63639%0.385SS*.SBendtrans-86.462.7176.3-71.9-25.2000111.7S183 L187S183-D185 PolarHBondContact O-N 3.32Å; S183-D185 PolarHBondContact OG-N 3.21Å; D185-L187 PolarHBondContact O-N 3.5Å
186V51.9Low66.8Low140 Ų14069.4 Ų69.485%0.84840%0.401SS*.SBendtrans53.40.5155.3-166.80000118.4P184P184-V186 VanDerWaalsContact C-N 3.3Å; P184-V186 PolarHBondContact O-N 2.95Å; P184-V186 VanDerWaalsContact O-N 3.12Å
187L62.7Low65.6Low72 Ų7276 Ų7638%0.37744%0.441SS..  trans-97.1109176.7-68.6166.2000108.8D185 C189D185-L187 PolarHBondContact O-N 3.5Å; L187-C189 PolarHBondContact O-N 3.34Å
188N71.3Confident64.9Low145 Ų14579.8 Ų79.878%0.77546%0.461SS*.  trans-73.779171.6-72.7-22.2000109.1S190N188-S190 VanDerWaalsContact C-N 3.34Å; N188-S190 PolarHBondContact O-N 3.27Å
189C76.7Confident64.7Low12 Ų1281.9 Ų81.98%0.08147%0.472CS..  trans-74.987.2174.7-63.20000109.4F178 L187 C205 Y209F178-C189 HydrophobicContact CD1-CB 4.42Å; F178-C189 HydrophobicContact CE1-CB 4.4Å; L187-C189 PolarHBondContact O-N 3.34Å; C189-C205 WeakPolarHBondContact CA-SG 3.35Å; C189-C205 HydrophobicContact CB-CB 3.77Å; C189-C205 WeakPolarHBondContact CB-SG 3.4Å; C189-C205 VanDerWaalsContact SG-CA 3.55Å; C189-C205 WeakPolarHBondContact SG-CB 3.22Å; C189-C205 CovalentContact SG-SG 2.04Å; C189-C205 PolarHBondContact SG-SG 2.89Å; C189-Y209 VanDerWaalsContact CB-OH 3.22Å; C189-Y209 WeakPolarHBondContact CB-OH 3.4Å
190S73.4Confident64.8Low61 Ų6179.7 Ų79.743%0.42747%0.471SS..  trans-101.5157176.6-179.10000110.5N188 D192 T193N188-S190 VanDerWaalsContact C-N 3.34Å; N188-S190 PolarHBondContact O-N 3.27Å; S190-D192 PolarHBondContact O-N 2.93Å; S190-D192 VanDerWaalsContact O-N 3.17Å; S190-T193 VanDerWaalsContact O-CB 3.22Å; S190-T193 WeakPolarHBondContact O-CB 3.42Å; S190-T193 PolarHBondContact O-N 3.17Å; S190-T193 PolarHBondContact O-OG1 3.13Å
191L69.1Low65.5Low57 Ų5778.3 Ų78.330%0.29846%0.457SS..G310 helixtrans-55.7-30172.6-165.270.8000112.3L161 L175 F178 T193 T194L161-L191 HydrophobicContact CD1-CD1 4.18Å; L175-L191 HydrophobicContact CD1-CD1 4.37Å; F178-L191 HydrophobicContact CB-CD1 4.16Å; F178-L191 PolarHBondContact O-N 3.44Å; L191-T193 PolarHBondContact O-N 3.47Å; L191-T194 WeakPolarHBondContact O-CB 3.02Å; L191-T194 PolarHBondContact O-N 3.05Å; L191-T194 PolarHBondContact O-OG1 3.36Å
192D63.7Low66.3Low131 Ų13177.8 Ų77.870%0.70146%0.455SS*.G310 helixtrans-61.8-29.1176.4-159.527.4000112.3S190 T194S190-D192 PolarHBondContact O-N 2.93Å; S190-D192 VanDerWaalsContact O-N 3.17Å; D192-T194 PolarHBondContact O-N 3.41Å
193T62.5Low67.6Low33 Ų3372.1 Ų72.120%0.20242%0.42CS..G310 helixtrans-69.3-20.4174.3-45.30000112.4S190 L191S190-T193 VanDerWaalsContact O-CB 3.22Å; S190-T193 WeakPolarHBondContact O-CB 3.42Å; S190-T193 PolarHBondContact O-N 3.17Å; S190-T193 PolarHBondContact O-OG1 3.13Å; L191-T193 PolarHBondContact O-N 3.47Å
194T60.6Low69Low9 Ų975.9 Ų75.96%0.05544%0.435CS..THydrogen-bonded Turntrans-91.3-22.7-176.668.40000114.1F178 L191 D192 G196F178-T194 HydrophobicContact CD1-CG2 3.58Å; F178-T194 HydrophobicContact CD2-CG2 3.8Å; F178-T194 HydrophobicContact CE1-CG2 3.52Å; F178-T194 HydrophobicContact CE2-CG2 3.76Å; F178-T194 HydrophobicContact CG-CG2 3.73Å; F178-T194 HydrophobicContact CZ-CG2 3.61Å; L191-T194 WeakPolarHBondContact O-CB 3.02Å; L191-T194 PolarHBondContact O-N 3.05Å; L191-T194 PolarHBondContact O-OG1 3.36Å; D192-T194 PolarHBondContact O-N 3.41Å; T194-G196 PolarHBondContact O-N 2.96Å
195M58.3Low70.6Confident150 Ų15070.7 Ų70.774%0.73940%0.402SS*.THydrogen-bonded Turntrans-98.427.4-169.4-63.7-152.279.300115.3
196G56.4Low72.2Confident52 Ų5265 Ų6554%0.53637%0.371SS..THydrogen-bonded Turntrans116.636.7155.500000118.3T194T194-G196 PolarHBondContact O-N 2.96Å
197V59.9Low74Confident141 Ų14163.1 Ų63.186%0.85535%0.349SS*.THydrogen-bonded Turntrans-127.4-28.2169.5-169.50000113.7
198D74.4Confident75.3Confident80 Ų8060.6 Ų60.643%0.42834%0.339SS..  trans-139.386.9-176.7-170.77.3000113.1L200 G201 C202D198-L200 PolarHBondContact O-N 2.93Å; D198-L200 WeakPolarHBondContact OD1-CB 3.05Å; D198-L200 PolarHBondContact OD1-N 3.33Å; D198-G201 PolarHBondContact O-N 3.27Å; D198-G201 PolarHBondContact OD1-N 2.97Å; D198-G201 WeakPolarHBondContact OD2-CA 3.46Å; D198-G201 PolarHBondContact OD2-N 3.17Å; D198-C202 PolarHBondContact O-N 3.47Å
199L79.8Confident76.1Confident48 Ų4853.8 Ų53.825%0.25130%0.302SS..Hα-helixtrans-62-31.9177.5-141.5145.6000112C143 L144 A203C143-L199 HydrophobicContact CB-CD2 4Å; C143-L199 HydrophobicContact CB-CG 4.37Å; L144-L199 HydrophobicContact CD2-CD1 3.61Å; L144-L199 HydrophobicContact CD2-CD2 3.84Å; L144-L199 HydrophobicContact CD2-CG 4.38Å; L144-L199 HydrophobicContact CG-CD1 4.31Å; L144-L199 HydrophobicContact CG-CD2 3.78Å; L199-A203 WeakPolarHBondContact O-CB 3.18Å; L199-A203 PolarHBondContact O-N 2.89Å; L199-A203 VanDerWaalsContact O-N 3.11Å
200L80.9Confident76.8Confident116 Ų11654.9 Ų54.961%0.60731%0.306SS*.Hα-helixtrans-71.8-43.9176.2-65.7174.1000110.7D198 A203 E204D198-L200 PolarHBondContact O-N 2.93Å; D198-L200 WeakPolarHBondContact OD1-CB 3.05Å; D198-L200 PolarHBondContact OD1-N 3.33Å; L200-A203 PolarHBondContact O-N 3.01Å; L200-E204 WeakPolarHBondContact O-CG 3.22Å; L200-E204 PolarHBondContact O-N 3.23Å
201G82.9Confident77.7Confident8 Ų860.4 Ų60.48%0.08232%0.318CS..Hα-helixtrans-59.3-44.9174.300000112.9D198 A203 E204 C205D198-G201 PolarHBondContact O-N 3.27Å; D198-G201 PolarHBondContact OD1-N 2.97Å; D198-G201 WeakPolarHBondContact OD2-CA 3.46Å; D198-G201 PolarHBondContact OD2-N 3.17Å; G201-A203 VanDerWaalsContact C-N 3.35Å; G201-A203 PolarHBondContact O-N 3.12Å; G201-E204 PolarHBondContact O-N 2.79Å; G201-C205 PolarHBondContact O-N 2.9Å; G201-C205 PolarHBondContact O-SG 3.17Å
202C84.3Confident78.7Confident4 Ų459.4 Ų59.43%0.02731%0.312CS..Hα-helixtrans-57.2-48.5172.6174.10000111.2C143 D198 E204 C205 V206C143-C202 HydrophobicContact CB-CB 3.76Å; C143-C202 WeakPolarHBondContact CB-SG 2.98Å; C143-C202 WeakPolarHBondContact SG-CB 3.4Å; C143-C202 CovalentContact SG-SG 2.05Å; C143-C202 PolarHBondContact SG-SG 3.39Å; D198-C202 PolarHBondContact O-N 3.47Å; C202-E204 VanDerWaalsContact C-N 3.31Å; C202-E204 PolarHBondContact O-N 3.24Å; C202-C205 PolarHBondContact O-N 2.8Å; C202-V206 WeakPolarHBondContact O-CG2 3.24Å; C202-V206 PolarHBondContact O-N 3.08Å
203A86.1Confident80.2Confident0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-66.3-33.6-17800000112.4A139 L140 C143 L199 L200 G201 R207A139-A203 HydrophobicContact CB-CB 4.29Å; L140-A203 HydrophobicContact CD2-CB 3.6Å; L140-A203 HydrophobicContact CG-CB 4.12Å; C143-A203 PolarHBondContact SG-N 3.36Å; L199-A203 WeakPolarHBondContact O-CB 3.18Å; L199-A203 PolarHBondContact O-N 2.89Å; L199-A203 VanDerWaalsContact O-N 3.11Å; L200-A203 PolarHBondContact O-N 3.01Å; G201-A203 VanDerWaalsContact C-N 3.35Å; G201-A203 PolarHBondContact O-N 3.12Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 WeakPolarHBondContact O-CG 3.2Å; A203-R207 PolarHBondContact O-N 2.67Å
204E86.8Confident81.7Confident101 Ų10158.8 Ų58.847%0.47230%0.297SS..Hα-helixtrans-64.8-44.5172.9-76-175.4177.700112.1L200 G201 C202 R207 A208L200-E204 WeakPolarHBondContact O-CG 3.22Å; L200-E204 PolarHBondContact O-N 3.23Å; G201-E204 PolarHBondContact O-N 2.79Å; C202-E204 VanDerWaalsContact C-N 3.31Å; C202-E204 PolarHBondContact O-N 3.24Å; E204-R207 PolarHBondContact O-N 2.95Å; E204-A208 WeakPolarHBondContact O-CB 3.24Å; E204-A208 PolarHBondContact O-N 3.4Å
205C86.8Confident83.3Confident5 Ų562.8 Ų62.83%0.03432%0.315CS..Hα-helixtrans-61.3-47.4175.1-73.90000112.2F178 C189 G201 C202 R207 A208 Y209F178-C205 HydrophobicContact CE1-CB 3.73Å; F178-C205 HydrophobicContact CZ-CB 4.08Å; C189-C205 WeakPolarHBondContact CA-SG 3.35Å; C189-C205 HydrophobicContact CB-CB 3.77Å; C189-C205 WeakPolarHBondContact CB-SG 3.4Å; C189-C205 VanDerWaalsContact SG-CA 3.55Å; C189-C205 WeakPolarHBondContact SG-CB 3.22Å; C189-C205 CovalentContact SG-SG 2.04Å; C189-C205 PolarHBondContact SG-SG 2.89Å; G201-C205 PolarHBondContact O-N 2.9Å; G201-C205 PolarHBondContact O-SG 3.17Å; C202-C205 PolarHBondContact O-N 2.8Å; C205-R207 VanDerWaalsContact C-N 3.32Å; C205-R207 PolarHBondContact O-N 3.46Å; C205-A208 WeakPolarHBondContact O-CB 3.22Å; C205-A208 PolarHBondContact O-N 2.85Å; C205-A208 VanDerWaalsContact O-N 3.1Å; C205-Y209 HydrophobicContact CB-CE2 4.42Å; C205-Y209 WeakPolarHBondContact O-CD2 3.41Å; C205-Y209 PolarHBondContact O-N 3.36Å
206V88.3Confident85Confident0 Ų055.7 Ų55.70%028%0.28CS..Hα-helixtrans-61.8-40.8177.6175.80000111.1F136 A139 L174 F178 C202 A208 Y209 Q210F136-V206 HydrophobicContact CD2-CG1 4.06Å; F136-V206 HydrophobicContact CE2-CG1 3.36Å; F136-V206 HydrophobicContact CZ-CG1 4.13Å; A139-V206 HydrophobicContact CB-CB 3.81Å; A139-V206 HydrophobicContact CB-CG1 3.64Å; L174-V206 HydrophobicContact CD1-CG2 4.45Å; L174-V206 HydrophobicContact CD2-CG2 4.42Å; F178-V206 HydrophobicContact CE2-CG2 4.17Å; F178-V206 HydrophobicContact CZ-CG2 3.91Å; C202-V206 WeakPolarHBondContact O-CG2 3.24Å; C202-V206 PolarHBondContact O-N 3.08Å; V206-A208 VanDerWaalsContact C-N 3.33Å; V206-A208 PolarHBondContact O-N 3.43Å; V206-Y209 PolarHBondContact O-N 3.2Å; V206-Q210 WeakPolarHBondContact O-CG 3.44Å; V206-Q210 PolarHBondContact O-N 3.45Å
207R89.6Confident86.9Confident100 Ų10055.9 Ų55.938%0.37727%0.267SS..Hα-helixtrans-64.4-36.2174.2-74.9178.5-166.5119.5-3.1112.7A139 A203 E204 C205 Q210 R211A139-R207 HydrophobicContact CB-CG 3.75Å; A203-R207 WeakPolarHBondContact O-CB 3.46Å; A203-R207 WeakPolarHBondContact O-CG 3.2Å; A203-R207 PolarHBondContact O-N 2.67Å; E204-R207 PolarHBondContact O-N 2.95Å; C205-R207 VanDerWaalsContact C-N 3.32Å; C205-R207 PolarHBondContact O-N 3.46Å; R207-Q210 PolarHBondContact O-N 3.25Å; R207-R211 PolarHBondContact O-N 2.83Å
208A88.8Confident88.6Confident20 Ų2054.3 Ų54.317%0.16525%0.25CC..Hα-helixtrans-63.5-45.217500000110.8E204 C205 V206 Q210 R211 L212E204-A208 WeakPolarHBondContact O-CB 3.24Å; E204-A208 PolarHBondContact O-N 3.4Å; C205-A208 WeakPolarHBondContact O-CB 3.22Å; C205-A208 PolarHBondContact O-N 2.85Å; C205-A208 VanDerWaalsContact O-N 3.1Å; V206-A208 VanDerWaalsContact C-N 3.33Å; V206-A208 PolarHBondContact O-N 3.43Å; A208-Q210 PolarHBondContact O-N 3.24Å; A208-R211 WeakPolarHBondContact O-CB 3.14Å; A208-R211 PolarHBondContact O-N 3.13Å; A208-R211 VanDerWaalsContact O-N 3.14Å; A208-L212 PolarHBondContact O-N 3.17Å; A208-L212 VanDerWaalsContact O-N 3.09Å
209Y89.5Confident89.6Confident1 Ų153.4 Ų53.40%0.00425%0.245CC..Hα-helixtrans-61.7-43.2174.5-58.9-35.5000112.5L174 L177 F178 F181 C189 C205 V206 R211 L212 D213 F257L174-Y209 HydrophobicContact CD2-CD2 4.19Å; L177-Y209 HydrophobicContact CB-CD2 4.12Å; L177-Y209 HydrophobicContact CB-CE1 4.3Å; L177-Y209 HydrophobicContact CB-CE2 3.78Å; L177-Y209 HydrophobicContact CD1-CD1 4.4Å; L177-Y209 HydrophobicContact CD1-CD2 3.93Å; L177-Y209 HydrophobicContact CD1-CE2 4.45Å; L177-Y209 HydrophobicContact CD1-CG 3.9Å; L177-Y209 PolarHBondContact O-OH 3.32Å; F178-Y209 HydrophobicContact CD1-CE2 4.33Å; F178-Y209 HydrophobicContact CE1-CE2 4.12Å; F178-Y209 HydrophobicContact CE2-CE2 4.3Å; F178-Y209 HydrophobicContact CZ-CE2 4.1Å; F181-Y209 HydrophobicContact CD1-CD1 4.3Å; F181-Y209 AromaticContact CD1-CE1 3.59Å; F181-Y209 HydrophobicContact CD1-CE1 3.59Å; F181-Y209 HydrophobicContact CE1-CD1 4.48Å; F181-Y209 HydrophobicContact CE1-CE1 4.11Å; F181-Y209 HydrophobicContact CG-CE1 4.47Å; C189-Y209 VanDerWaalsContact CB-OH 3.22Å; C189-Y209 WeakPolarHBondContact CB-OH 3.4Å; C205-Y209 HydrophobicContact CB-CE2 4.42Å; C205-Y209 WeakPolarHBondContact O-CD2 3.41Å; C205-Y209 PolarHBondContact O-N 3.36Å; V206-Y209 PolarHBondContact O-N 3.2Å; Y209-R211 PolarHBondContact O-N 3.03Å; Y209-L212 PolarHBondContact O-N 3.38Å; Y209-D213 WeakPolarHBondContact O-CB 3.46Å; Y209-D213 PolarHBondContact O-N 3.36Å; Y209-F257 HydrophobicContact CD1-CE1 4.46Å
210Q91.2Very high90.4Very high36 Ų3652.3 Ų52.317%0.16824%0.238CC..Hα-helixtrans-61.6-31.9174.6-72.6176.7-28.900113F136 T137 V206 R207 A208 R214F136-Q210 HydrophobicContact CE2-CG 4.1Å; T137-Q210 PolarHBondContact O-NE2 3.49Å; V206-Q210 WeakPolarHBondContact O-CG 3.44Å; V206-Q210 PolarHBondContact O-N 3.45Å; R207-Q210 PolarHBondContact O-N 3.25Å; A208-Q210 PolarHBondContact O-N 3.24Å; Q210-R214 WeakPolarHBondContact O-CB 3.47Å; Q210-R214 PolarHBondContact O-N 3.42Å; Q210-R214 VanDerWaalsContact O-N 3.11Å
211R91.6Very high91.1Very high177 Ų17753 Ų5367%0.66823%0.232SC*.Hα-helixtrans-69-44.4175.3-171.3-175.8-64.8163.51.2111.1R207 A208 Y209 R214 Q215R207-R211 PolarHBondContact O-N 2.83Å; A208-R211 WeakPolarHBondContact O-CB 3.14Å; A208-R211 PolarHBondContact O-N 3.13Å; A208-R211 VanDerWaalsContact O-N 3.14Å; Y209-R211 PolarHBondContact O-N 3.03Å; R211-R214 PolarHBondContact O-N 2.96Å; R211-Q215 PolarHBondContact O-N 3.48Å
212L91.2Very high91.7Very high35 Ų3557.7 Ų57.718%0.18325%0.252CS..Hα-helixtrans-63.8-42.2175.4-67.8172.7000111.6F181 A208 Y209 R214 Q215 A216 Y256 F257F181-L212 HydrophobicContact CE1-CD1 3.78Å; F181-L212 HydrophobicContact CZ-CD1 3.76Å; A208-L212 PolarHBondContact O-N 3.17Å; A208-L212 VanDerWaalsContact O-N 3.09Å; Y209-L212 PolarHBondContact O-N 3.38Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 3.47Å; L212-Q215 PolarHBondContact O-N 3.34Å; L212-A216 PolarHBondContact O-N 3.09Å; L212-Y256 HydrophobicContact CB-CD1 4.37Å; L212-Y256 HydrophobicContact CD2-CD1 4.19Å; L212-F257 HydrophobicContact CB-CE1 3.91Å; L212-F257 HydrophobicContact CB-CZ 3.76Å; L212-F257 HydrophobicContact CD1-CE1 4.05Å
213D93.8Very high92.2Very high2 Ų258.7 Ų58.71%0.01126%0.256CS..Hα-helixtrans-58.6-43.5176.8-166.845000111.6L166 S167 F168 C169 Y209 A216 E217 F257L166-D213 HydrophobicContact CD1-CB 4.23Å; L166-D213 HydrophobicContact CD2-CB 4.45Å; S167-D213 PolarHBondContact N-OD2 3.04Å; S167-D213 PolarHBondContact OG-OD2 3.22Å; F168-D213 WeakPolarHBondContact CB-OD1 3.38Å; F168-D213 PolarHBondContact N-OD1 2.99Å; F168-D213 PolarHBondContact N-OD2 3.22Å; C169-D213 WeakPolarHBondContact CB-OD1 3.32Å; C169-D213 PolarHBondContact N-OD1 2.91Å; Y209-D213 WeakPolarHBondContact O-CB 3.46Å; Y209-D213 PolarHBondContact O-N 3.36Å; D213-A216 PolarHBondContact O-N 3.27Å; D213-E217 PolarHBondContact O-N 3.26Å; D213-F257 HydrophobicContact CB-CZ 4.45Å
214R93.9Very high92.5Very high150 Ų15062 Ų6257%0.56627%0.271SS*.Hα-helixtrans-65.8-40.5176.2-169.7-172.8-43.8-127.1-5.2112.6Q210 R211 L212 A216 E217 E218Q210-R214 WeakPolarHBondContact O-CB 3.47Å; Q210-R214 PolarHBondContact O-N 3.42Å; Q210-R214 VanDerWaalsContact O-N 3.11Å; R211-R214 PolarHBondContact O-N 2.96Å; L212-R214 VanDerWaalsContact C-N 3.32Å; L212-R214 PolarHBondContact O-N 3.47Å; R214-A216 VanDerWaalsContact C-N 3.31Å; R214-A216 PolarHBondContact O-N 3.39Å; R214-E217 WeakPolarHBondContact O-CB 3.28Å; R214-E217 PolarHBondContact O-N 3.4Å; R214-E218 WeakPolarHBondContact O-CG 3.4Å; R214-E218 PolarHBondContact O-N 3.34Å
215Q94.5Very high92.9Very high93 Ų9361.6 Ų61.644%0.43527%0.272SS..Hα-helixtrans-65.6-38.3177.6-163.1-175.30.100111.2R211 L212 E218 N219 Y256R211-Q215 PolarHBondContact O-N 3.48Å; L212-Q215 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 2.87Å; Q215-N219 PolarHBondContact O-N 3.02Å; Q215-Y256 HydrophobicContact CB-CE1 3.85Å; Q215-Y256 HydrophobicContact CG-CE1 3.95Å; Q215-Y256 WeakPolarHBondContact CG-OH 3.37Å
216A94.5Very high93Very high0 Ų064.8 Ų64.80%029%0.288CS..Hα-helixtrans-62.7-42.1172.100000111.4F168 L212 D213 R214 N219 Y220 L252 Y256F168-A216 HydrophobicContact CD1-CB 4.01Å; F168-A216 HydrophobicContact CE1-CB 4.02Å; L212-A216 PolarHBondContact O-N 3.09Å; D213-A216 PolarHBondContact O-N 3.27Å; R214-A216 VanDerWaalsContact C-N 3.31Å; R214-A216 PolarHBondContact O-N 3.39Å; A216-N219 PolarHBondContact O-N 3.07Å; A216-Y220 WeakPolarHBondContact O-CB 3.41Å; A216-Y220 PolarHBondContact O-N 3.42Å; A216-L252 VanDerWaalsContact O-CD2 3.22Å; A216-L252 WeakPolarHBondContact O-CD2 3.4Å; A216-Y256 HydrophobicContact CB-CD1 4.41Å; A216-Y256 HydrophobicContact CB-CD2 3.6Å; A216-Y256 HydrophobicContact CB-CE2 3.8Å; A216-Y256 HydrophobicContact CB-CG 3.93Å
217E95.6Very high93.1Very high57 Ų5765.5 Ų65.527%0.26629%0.293SS..Hα-helixtrans-61.3-45175.3-171.9-175.8-17000112.1F168 D213 R214 Y220 R221F168-E217 HydrophobicContact CB-CB 4.02Å; F168-E217 HydrophobicContact CB-CG 4.4Å; F168-E217 HydrophobicContact CD1-CB 4.04Å; F168-E217 HydrophobicContact CD2-CB 3.89Å; F168-E217 HydrophobicContact CD2-CG 3.74Å; F168-E217 HydrophobicContact CE2-CB 4.4Å; F168-E217 HydrophobicContact CE2-CG 4.22Å; F168-E217 HydrophobicContact CG-CB 3.7Å; F168-E217 HydrophobicContact CG-CG 4.06Å; D213-E217 PolarHBondContact O-N 3.26Å; R214-E217 WeakPolarHBondContact O-CB 3.28Å; R214-E217 PolarHBondContact O-N 3.4Å; E217-Y220 WeakPolarHBondContact O-CB 3.46Å; E217-Y220 PolarHBondContact O-N 3.37Å; E217-R221 VanDerWaalsContact CD-NH2 3.26Å; E217-R221 WeakPolarHBondContact O-CG 3.02Å; E217-R221 PolarHBondContact O-N 3.43Å; E217-R221 IonicContact OE1-CZ 3.42Å; E217-R221 IonicContact OE1-NE 3.55Å; E217-R221 IonicContact OE1-NH2 2.66Å; E217-R221 PolarHBondContact OE1-NH2 3.28Å; E217-R221 IonicContact OE2-NH2 3.63Å
218E96.5Very high93Very high107 Ų10768.4 Ų68.450%0.531%0.31SS..Hα-helixtrans-61-46.4178.2-74173.1-175.800111.9R214 Q215 Y220 R221 E222R214-E218 WeakPolarHBondContact O-CG 3.4Å; R214-E218 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 2.87Å; E218-Y220 VanDerWaalsContact C-N 3.31Å; E218-Y220 PolarHBondContact O-N 2.85Å; E218-R221 WeakPolarHBondContact O-CB 3.27Å; E218-R221 PolarHBondContact O-N 2.03Å; E218-E222 PolarHBondContact O-N 3.41Å; E218-E222 VanDerWaalsContact O-N 3.13Å
219N95.3Very high93Very high61 Ų6175.7 Ų75.733%0.32634%0.338SS..Hα-helixtrans-63.9-37.1175.6-77.98.8000112.2Q215 A216 R221 E222 F223 L252 Y256Q215-N219 PolarHBondContact O-N 3.02Å; A216-N219 PolarHBondContact O-N 3.07Å; N219-R221 VanDerWaalsContact C-N 3.34Å; N219-E222 PolarHBondContact O-N 3.24Å; N219-F223 PolarHBondContact O-N 3.43Å; N219-F223 VanDerWaalsContact O-N 3.17Å; N219-L252 HydrophobicContact CB-CD1 4.45Å; N219-L252 HydrophobicContact CB-CD2 4.19Å; N219-Y256 PolarHBondContact ND2-OH 3.34Å
220Y96.3Very high92.9Very high25 Ų2578.6 Ų78.610%0.09835%0.35CS..Hα-helixtrans-64.8-39.2174.9-171.9-100.2000112F168 A216 E217 E218 E222 F223 E224 K245 Y248 K249 L252F168-Y220 AromaticContact CE2-CD1 3.89Å; F168-Y220 HydrophobicContact CE2-CD1 3.89Å; F168-Y220 AromaticContact CE2-CG 4Å; F168-Y220 HydrophobicContact CE2-CG 4Å; F168-Y220 VanDerWaalsContact CZ-CB 3.42Å; F168-Y220 AromaticContact CZ-CD1 3.93Å; F168-Y220 HydrophobicContact CZ-CD1 3.93Å; F168-Y220 HydrophobicContact CZ-CD2 4.07Å; F168-Y220 AromaticContact CZ-CG 3.53Å; F168-Y220 HydrophobicContact CZ-CG 3.53Å; A216-Y220 WeakPolarHBondContact O-CB 3.41Å; A216-Y220 PolarHBondContact O-N 3.42Å; E217-Y220 WeakPolarHBondContact O-CB 3.46Å; E217-Y220 PolarHBondContact O-N 3.37Å; E218-Y220 VanDerWaalsContact C-N 3.31Å; E218-Y220 PolarHBondContact O-N 2.85Å; Y220-E222 VanDerWaalsContact C-N 3.31Å; Y220-E222 PolarHBondContact O-N 2.76Å; Y220-F223 HydrophobicContact CD2-CD1 4.25Å; Y220-F223 HydrophobicContact CE2-CD1 4.02Å; Y220-F223 HydrophobicContact CE2-CE1 4.3Å; Y220-F223 CarbonylContact O-C 3.59Å; Y220-F223 WeakPolarHBondContact O-CB 3.21Å; Y220-F223 PolarHBondContact O-N 2.91Å; Y220-F223 VanDerWaalsContact O-N 3.17Å; Y220-E224 HydrophobicContact CD1-CG 3.89Å; Y220-E224 HydrophobicContact CE1-CG 3.61Å; Y220-E224 WeakPolarHBondContact O-CG 3.5Å; Y220-E224 PolarHBondContact O-N 3.5Å; Y220-K245 WeakPolarHBondContact OH-CB 3.08Å; Y220-K245 PolarHBondContact OH-O 3.48Å; Y220-Y248 AromaticContact CD2-CD1 3.78Å; Y220-Y248 HydrophobicContact CD2-CD1 3.78Å; Y220-Y248 HydrophobicContact CD2-CE1 4.21Å; Y220-Y248 AromaticContact CE2-CD1 3.88Å; Y220-Y248 HydrophobicContact CE2-CD1 3.88Å; Y220-K249 HydrophobicContact CD2-CB 4.05Å; Y220-K249 HydrophobicContact CE2-CB 3.53Å; Y220-K249 HydrophobicContact CE2-CG 4.37Å; Y220-L252 HydrophobicContact CD2-CD2 4.33Å
221R96.4Very high92.4Very high131 Ų13184.9 Ų84.949%0.49438%0.379SS..Hα-helixtrans-63.2-37175.6-72173.9-176.6176.22.8112E217 E218 N219 F223 E224 L225E217-R221 VanDerWaalsContact CD-NH2 3.26Å; E217-R221 WeakPolarHBondContact O-CG 3.02Å; E217-R221 PolarHBondContact O-N 3.43Å; E217-R221 IonicContact OE1-CZ 3.42Å; E217-R221 IonicContact OE1-NE 3.55Å; E217-R221 IonicContact OE1-NH2 2.66Å; E217-R221 PolarHBondContact OE1-NH2 3.28Å; E217-R221 IonicContact OE2-NH2 3.63Å; E218-R221 WeakPolarHBondContact O-CB 3.27Å; E218-R221 PolarHBondContact O-N 2.03Å; N219-R221 VanDerWaalsContact C-N 3.34Å; R221-F223 VanDerWaalsContact C-N 3.33Å; R221-E224 PolarHBondContact O-N 2.79Å; R221-L225 WeakPolarHBondContact O-CG 3.26Å; R221-L225 PolarHBondContact O-N 3.35Å; R221-L225 VanDerWaalsContact O-N 3.08Å
222E95Very high91.5Very high107 Ų10780.1 Ų80.150%0.537%0.37SS..Hα-helixtrans-60.6-45.3172.5-172.7-179.4-175.700111.1E218 N219 Y220 E224 L225 L226E218-E222 PolarHBondContact O-N 3.41Å; E218-E222 VanDerWaalsContact O-N 3.13Å; N219-E222 PolarHBondContact O-N 3.24Å; Y220-E222 VanDerWaalsContact C-N 3.31Å; Y220-E222 PolarHBondContact O-N 2.76Å; E222-E224 VanDerWaalsContact C-N 3.34Å; E222-E224 PolarHBondContact O-N 2.88Å; E222-L225 WeakPolarHBondContact O-CB 3.04Å; E222-L225 PolarHBondContact O-N 3.35Å; E222-L226 PolarHBondContact O-N 3.3Å
223F94.4Very high90.4Very high24 Ų2484.2 Ų84.211%0.10539%0.392CS..Hα-helixtrans-59.8-42.3173.4167-102.6000112N219 Y220 R221 L225 L226 V227 K245 Y248N219-F223 PolarHBondContact O-N 3.43Å; N219-F223 VanDerWaalsContact O-N 3.17Å; Y220-F223 HydrophobicContact CD2-CD1 4.25Å; Y220-F223 HydrophobicContact CE2-CD1 4.02Å; Y220-F223 HydrophobicContact CE2-CE1 4.3Å; Y220-F223 CarbonylContact O-C 3.59Å; Y220-F223 WeakPolarHBondContact O-CB 3.21Å; Y220-F223 PolarHBondContact O-N 2.91Å; Y220-F223 VanDerWaalsContact O-N 3.17Å; R221-F223 VanDerWaalsContact C-N 3.33Å; F223-L225 VanDerWaalsContact C-N 3.29Å; F223-L225 PolarHBondContact O-N 3.15Å; F223-L226 WeakPolarHBondContact O-CA 3.17Å; F223-L226 WeakPolarHBondContact O-CB 2.92Å; F223-L226 PolarHBondContact O-N 3.46Å; F223-V227 HydrophobicContact CD1-CG2 4.13Å; F223-V227 HydrophobicContact CD2-CG2 4.3Å; F223-V227 HydrophobicContact CE1-CG2 3.63Å; F223-V227 HydrophobicContact CE2-CG2 3.82Å; F223-V227 HydrophobicContact CG-CG2 4.44Å; F223-V227 HydrophobicContact CZ-CG2 3.45Å; F223-V227 VanDerWaalsContact CZ-CG2 3.45Å; F223-V227 WeakPolarHBondContact O-CG2 3.31Å; F223-V227 PolarHBondContact O-N 2.86Å; F223-K245 HydrophobicContact CE1-CG 3.97Å; F223-Y248 HydrophobicContact CB-CD1 4.2Å; F223-Y248 HydrophobicContact CB-CE1 3.55Å; F223-Y248 AromaticContact CD1-CD1 3.36Å; F223-Y248 HydrophobicContact CD1-CD1 3.36Å; F223-Y248 AromaticContact CD1-CE1 3.66Å; F223-Y248 HydrophobicContact CD1-CE1 3.66Å; F223-Y248 AromaticContact CD1-CG 3.99Å; F223-Y248 HydrophobicContact CD1-CG 3.99Å; F223-Y248 HydrophobicContact CD2-CD1 4.09Å; F223-Y248 HydrophobicContact CD2-CD2 4.3Å; F223-Y248 AromaticContact CD2-CE1 3.9Å; F223-Y248 HydrophobicContact CD2-CE1 3.9Å; F223-Y248 HydrophobicContact CD2-CE2 4.11Å; F223-Y248 HydrophobicContact CD2-CG 4.29Å; F223-Y248 AromaticContact CD2-CZ 3.9Å; F223-Y248 AromaticContact CE1-CD1 3.63Å; F223-Y248 HydrophobicContact CE1-CD1 3.63Å; F223-Y248 HydrophobicContact CE1-CE1 4.31Å; F223-Y248 AromaticContact CE1-CG 3.79Å; F223-Y248 HydrophobicContact CE1-CG 3.79Å; F223-Y248 HydrophobicContact CE2-CD1 4.33Å; F223-Y248 HydrophobicContact CE2-CD2 4.12Å; F223-Y248 HydrophobicContact CE2-CE2 4.33Å; F223-Y248 HydrophobicContact CE2-CG 4.12Å; F223-Y248 AromaticContact CG-CD1 3.61Å; F223-Y248 HydrophobicContact CG-CD1 3.61Å; F223-Y248 AromaticContact CG-CE1 3.41Å; F223-Y248 HydrophobicContact CG-CE1 3.41Å; F223-Y248 VanDerWaalsContact CG-CE1 3.41Å; F223-Y248 HydrophobicContact CG-CE2 4.45Å; F223-Y248 HydrophobicContact CG-CG 4.22Å; F223-Y248 AromaticContact CG-CZ 3.87Å; F223-Y248 HydrophobicContact CZ-CD1 4.11Å; F223-Y248 HydrophobicContact CZ-CD2 4.27Å; F223-Y248 AromaticContact CZ-CG 3.86Å; F223-Y248 HydrophobicContact CZ-CG 3.86Å
224E93.2Very high89.3Confident69 Ų6990.8 Ų90.832%0.32243%0.432SS..Hα-helixtrans-61.5-35.1177.1-70.5-156.8107.500113.5Y220 R221 E222 L226 V227 Q228 K245Y220-E224 HydrophobicContact CD1-CG 3.89Å; Y220-E224 HydrophobicContact CE1-CG 3.61Å; Y220-E224 WeakPolarHBondContact O-CG 3.5Å; Y220-E224 PolarHBondContact O-N 3.5Å; R221-E224 PolarHBondContact O-N 2.79Å; E222-E224 VanDerWaalsContact C-N 3.34Å; E222-E224 PolarHBondContact O-N 2.88Å; E224-L226 VanDerWaalsContact C-N 3.31Å; E224-V227 WeakPolarHBondContact O-CB 3.41Å; E224-V227 PolarHBondContact O-N 2.87Å; E224-Q228 PolarHBondContact O-N 3.26Å; E224-K245 IonicContact OE1-NZ 2.74Å; E224-K245 PolarHBondContact OE1-NZ 2.62Å
225L93.6Very high87.9Confident94 Ų9494.5 Ų94.549%0.49245%0.448SS..Hα-helixtrans-64.5-37.9173.5-66.7173.1000111.4R221 E222 F223 Q228 K229R221-L225 WeakPolarHBondContact O-CG 3.26Å; R221-L225 PolarHBondContact O-N 3.35Å; R221-L225 VanDerWaalsContact O-N 3.08Å; E222-L225 WeakPolarHBondContact O-CB 3.04Å; E222-L225 PolarHBondContact O-N 3.35Å; F223-L225 VanDerWaalsContact C-N 3.29Å; F223-L225 PolarHBondContact O-N 3.15Å; L225-Q228 PolarHBondContact O-N 3.25Å; L225-K229 WeakPolarHBondContact O-CG 3.02Å; L225-K229 PolarHBondContact O-N 3.09Å
226L90.4Very high86.7Confident71 Ų7192.1 Ų92.137%0.37244%0.441SS..Hα-helixtrans-63.8-44.2172178.6145.8000110.8E222 F223 E224 Q228 K229 Y230 V284E222-L226 PolarHBondContact O-N 3.3Å; F223-L226 WeakPolarHBondContact O-CA 3.17Å; F223-L226 WeakPolarHBondContact O-CB 2.92Å; F223-L226 PolarHBondContact O-N 3.46Å; E224-L226 VanDerWaalsContact C-N 3.31Å; L226-Q228 VanDerWaalsContact C-N 3.3Å; L226-Q228 PolarHBondContact O-N 2.9Å; L226-K229 PolarHBondContact O-N 3.01Å; L226-Y230 PolarHBondContact O-N 2.9Å; L226-V284 HydrophobicContact CD1-CG1 4.12Å; L226-V284 HydrophobicContact CD2-CG2 4.15Å
227V89.2Confident85.4Confident15 Ų1597.7 Ų97.79%0.09148%0.475CS..Hα-helixtrans-59.5-41176.9174.60000111.8F223 E224 K229 Y230 M241 K245F223-V227 HydrophobicContact CD1-CG2 4.13Å; F223-V227 HydrophobicContact CD2-CG2 4.3Å; F223-V227 HydrophobicContact CE1-CG2 3.63Å; F223-V227 HydrophobicContact CE2-CG2 3.82Å; F223-V227 HydrophobicContact CG-CG2 4.44Å; F223-V227 HydrophobicContact CZ-CG2 3.45Å; F223-V227 VanDerWaalsContact CZ-CG2 3.45Å; F223-V227 WeakPolarHBondContact O-CG2 3.31Å; F223-V227 PolarHBondContact O-N 2.86Å; E224-V227 WeakPolarHBondContact O-CB 3.41Å; E224-V227 PolarHBondContact O-N 2.87Å; V227-K229 VanDerWaalsContact C-N 3.31Å; V227-K229 PolarHBondContact O-N 3.14Å; V227-Y230 PolarHBondContact O-N 3.22Å; V227-M241 HydrophobicContact CB-CE 3.79Å; V227-M241 HydrophobicContact CG1-CB 3.66Å; V227-M241 HydrophobicContact CG1-CE 3.54Å; V227-M241 HydrophobicContact CG1-CG 4.04Å; V227-M241 HydrophobicContact CG2-CE 3.47Å; V227-M241 VanDerWaalsContact CG2-CE 3.47Å; V227-K245 VanDerWaalsContact CG1-CE 3.48Å; V227-K245 HydrophobicContact CG2-CG 4.39Å
228Q88.9Confident84.1Confident161 Ų161104.9 Ų104.975%0.75250%0.5SS*.Hα-helixtrans-66.2-33.4178.6-173.1-179.79.600112.7E224 L225 L226E224-Q228 PolarHBondContact O-N 3.26Å; L225-Q228 PolarHBondContact O-N 3.25Å; L226-Q228 VanDerWaalsContact C-N 3.3Å; L226-Q228 PolarHBondContact O-N 2.9Å
229K88.9Confident83.1Confident173 Ų173101.6 Ų101.675%0.75249%0.487SS*.Hα-helixtrans-83.9-12.4178.9-68.8173.3-176.5176.50113.2L225 L226 V227 E231L225-K229 WeakPolarHBondContact O-CG 3.02Å; L225-K229 PolarHBondContact O-N 3.09Å; L226-K229 PolarHBondContact O-N 3.01Å; V227-K229 VanDerWaalsContact C-N 3.31Å; V227-K229 PolarHBondContact O-N 3.14Å; K229-E231 PolarHBondContact O-N 3.48Å; K229-E231 VanDerWaalsContact O-N 3.13Å
230Y85.6Confident82.5Confident62 Ų6299.5 Ų99.524%0.24348%0.477CS..  trans-73.8104-177.5-171.2-98.7000110.6L226 V227 T232 M241 P282L226-Y230 PolarHBondContact O-N 2.9Å; V227-Y230 PolarHBondContact O-N 3.22Å; Y230-T232 HydrophobicContact CD1-CG2 4.03Å; Y230-T232 HydrophobicContact CE1-CG2 3.5Å; Y230-T232 VanDerWaalsContact CE1-CG2 3.5Å; Y230-M241 HydrophobicContact CD1-CE 4.36Å; Y230-M241 HydrophobicContact CD1-CG 4.37Å; Y230-M241 HydrophobicContact CD1-SD 3.8Å; Y230-M241 HydrophobicContact CE1-SD 4.24Å; Y230-M241 HydrophobicContact CG-CE 4.41Å; Y230-M241 HydrophobicContact CG-SD 4.43Å; Y230-P282 HydrophobicContact CD1-CG 4.34Å; Y230-P282 HydrophobicContact CD2-CG 4.35Å; Y230-P282 HydrophobicContact CE1-CB 3.75Å; Y230-P282 HydrophobicContact CE1-CG 3.98Å; Y230-P282 HydrophobicContact CE2-CB 3.86Å; Y230-P282 HydrophobicContact CE2-CG 4.03Å; Y230-P282 VanDerWaalsContact OH-CB 3.27Å; Y230-P282 WeakPolarHBondContact OH-CB 3.31Å
231E81.3Confident82.1Confident169 Ų16999.7 Ų99.779%0.7948%0.479SS*.PPolyproline II helixtrans-95137.1175.1-166.1166.1-168.100110.4K229K229-E231 PolarHBondContact O-N 3.48Å; K229-E231 VanDerWaalsContact O-N 3.13Å
232T72.8Confident81.7Confident76 Ų7698.6 Ų98.647%0.46648%0.483SS..PPolyproline II helixtrans-103.8116.5179.248.50000110.2Y230Y230-T232 HydrophobicContact CD1-CG2 4.03Å; Y230-T232 HydrophobicContact CE1-CG2 3.5Å; Y230-T232 VanDerWaalsContact CE1-CG2 3.5Å
233D68Low81.3Confident122 Ų12295.6 Ų95.665%0.65247%0.469SS*.PPolyproline II helixtrans-77.1164.9174-77.9-38.1000112.7Y235 S236D233-Y235 PolarHBondContact O-N 3.26Å; D233-Y235 VanDerWaalsContact O-N 3.13Å; D233-S236 VanDerWaalsContact O-CB 3.25Å; D233-S236 WeakPolarHBondContact O-CB 3.19Å; D233-S236 PolarHBondContact O-N 2.01Å
234V70.1Confident81.1Confident139 Ų13994.4 Ų94.484%0.84246%0.464SS*.THydrogen-bonded Turntrans-57.7-28.4179.5-178.30000112.9
235Y65.6Low81Confident229 Ų22993.4 Ų93.490%0.89846%0.458SS*.THydrogen-bonded Turntrans-97.12.7178.3-56.9-73.6000113.2D233D233-Y235 PolarHBondContact O-N 3.26Å; D233-Y235 VanDerWaalsContact O-N 3.13Å
236S68.8Low80.7Confident42 Ų4292.8 Ų92.829%0.29445%0.454SS..SBendtrans-81.9143.9178.5-166.80000111.3D233 R238D233-S236 VanDerWaalsContact O-CB 3.25Å; D233-S236 WeakPolarHBondContact O-CB 3.19Å; D233-S236 PolarHBondContact O-N 2.01Å; S236-R238 PolarHBondContact O-N 2.03Å
237V67.7Low80.7Confident118 Ų11889.7 Ų89.772%0.71544%0.438SS*.  trans-62.7122.9169.5178.60000107.2T239V237-T239 PolarHBondContact O-N 2.86Å
238R67.8Low80.9Confident208 Ų20890.7 Ų90.779%0.78544%0.44SS*.  trans-67.7104.2179.1-68.3-175.7-178.6175.60.6109.3S236S236-R238 PolarHBondContact O-N 2.03Å
239T75.1Confident81.1Confident37 Ų3785.4 Ų85.423%0.22742%0.415CS..  trans-101.6133.9172.4-52.70000109.5V237 M241 R280 P282V237-T239 PolarHBondContact O-N 2.86Å; T239-M241 PolarHBondContact O-N 3.3Å; T239-R280 WeakPolarHBondContact CG2-O 3.46Å; T239-P282 HydrophobicContact CG2-CB 4.33Å
240C84.5Confident81.2Confident18 Ų1877.7 Ų77.712%0.12238%0.382CS..  trans-81.1110171.8-170.70000109.5D242 E243 C244 C342C240-D242 PolarHBondContact O-N 3.27Å; C240-E243 HydrophobicContact CB-CB 4.07Å; C240-E243 HydrophobicContact CB-CG 3.87Å; C240-E243 PolarHBondContact O-N 3.29Å; C240-C244 PolarHBondContact O-N 3.36Å; C240-C244 VanDerWaalsContact O-N 3.15Å; C240-C342 HydrophobicContact CB-CB 3.8Å; C240-C342 WeakPolarHBondContact CB-SG 3.31Å; C240-C342 WeakPolarHBondContact SG-CB 3.3Å; C240-C342 CovalentContact SG-SG 2.03Å; C240-C342 PolarHBondContact SG-SG 3.3Å
241M87.5Confident81.5Confident29 Ų2976.5 Ų76.514%0.14338%0.378CS..Hα-helixtrans-64.9-29.8178.6-64.7-51.9-7100112.6V227 Y230 T239 C244 K245 P282V227-M241 HydrophobicContact CB-CE 3.79Å; V227-M241 HydrophobicContact CG1-CB 3.66Å; V227-M241 HydrophobicContact CG1-CE 3.54Å; V227-M241 HydrophobicContact CG1-CG 4.04Å; V227-M241 HydrophobicContact CG2-CE 3.47Å; V227-M241 VanDerWaalsContact CG2-CE 3.47Å; Y230-M241 HydrophobicContact CD1-CE 4.36Å; Y230-M241 HydrophobicContact CD1-CG 4.37Å; Y230-M241 HydrophobicContact CD1-SD 3.8Å; Y230-M241 HydrophobicContact CE1-SD 4.24Å; Y230-M241 HydrophobicContact CG-CE 4.41Å; Y230-M241 HydrophobicContact CG-SD 4.43Å; T239-M241 PolarHBondContact O-N 3.3Å; M241-C244 WeakPolarHBondContact O-CB 3.36Å; M241-C244 PolarHBondContact O-N 2.89Å; M241-K245 WeakPolarHBondContact O-CG 3.29Å; M241-K245 PolarHBondContact O-N 3.25Å; M241-P282 HydrophobicContact CE-CG 3.91Å; M241-P282 HydrophobicContact SD-CG 3.6Å
242D86.9Confident82Confident108 Ų10868.9 Ų68.958%0.57834%0.342SS*.Hα-helixtrans-64.6-42.8175.6-60.5-37.9000111.2C240 C244 K245 M246C240-D242 PolarHBondContact O-N 3.27Å; D242-C244 VanDerWaalsContact C-N 3.33Å; D242-C244 PolarHBondContact O-N 3.3Å; D242-K245 WeakPolarHBondContact O-CB 3.01Å; D242-K245 PolarHBondContact O-N 2.52Å; D242-M246 VanDerWaalsContact O-CG 3.24Å; D242-M246 WeakPolarHBondContact O-CG 3.45Å; D242-M246 PolarHBondContact O-N 2.91Å; D242-M246 VanDerWaalsContact O-N 3.09Å
243E87Confident82.9Confident43 Ų4365.3 Ų65.320%0.20132%0.32CS..Hα-helixtrans-64.6-38.8175.2-67.2-173.5169.400111.8C240 M246 V247 H344C240-E243 HydrophobicContact CB-CB 4.07Å; C240-E243 HydrophobicContact CB-CG 3.87Å; C240-E243 PolarHBondContact O-N 3.29Å; E243-M246 PolarHBondContact O-N 3.14Å; E243-V247 PolarHBondContact O-N 3.45Å; E243-H344 IonicContact OE1-ND1 3.82Å
244C90.8Very high84Confident0 Ų059.6 Ų59.60%029%0.29CS..Hα-helixtrans-62-46.1173.8172.40000111.9C240 M241 D242 M246 V247 Y248 C281C240-C244 PolarHBondContact O-N 3.36Å; C240-C244 VanDerWaalsContact O-N 3.15Å; M241-C244 WeakPolarHBondContact O-CB 3.36Å; M241-C244 PolarHBondContact O-N 2.89Å; D242-C244 VanDerWaalsContact C-N 3.33Å; D242-C244 PolarHBondContact O-N 3.3Å; C244-M246 PolarHBondContact O-N 2.92Å; C244-V247 VanDerWaalsContact O-CG2 3.29Å; C244-V247 WeakPolarHBondContact O-CG2 3.42Å; C244-V247 PolarHBondContact O-N 3.4Å; C244-Y248 VanDerWaalsContact O-CB 3.23Å; C244-Y248 WeakPolarHBondContact O-CB 3.46Å; C244-Y248 PolarHBondContact O-N 2.74Å; C244-C281 VanDerWaalsContact CA-SG 3.51Å; C244-C281 HydrophobicContact CB-CB 3.97Å; C244-C281 WeakPolarHBondContact CB-SG 2.8Å; C244-C281 WeakPolarHBondContact SG-CA 2.99Å; C244-C281 WeakPolarHBondContact SG-CB 3.45Å; C244-C281 CovalentContact SG-SG 2.03Å; C244-C281 PolarHBondContact SG-SG 2.88Å
245K90.8Very high84.8Confident47 Ų4755.8 Ų55.820%0.20426%0.263CS..Hα-helixtrans-56.6-39.7175.9-80.1-173.9178.4-156.20112.6Y220 F223 E224 V227 M241 D242 K249Y220-K245 WeakPolarHBondContact OH-CB 3.08Å; Y220-K245 PolarHBondContact OH-O 3.48Å; F223-K245 HydrophobicContact CE1-CG 3.97Å; E224-K245 IonicContact OE1-NZ 2.74Å; E224-K245 PolarHBondContact OE1-NZ 2.62Å; V227-K245 VanDerWaalsContact CG1-CE 3.48Å; V227-K245 HydrophobicContact CG2-CG 4.39Å; M241-K245 WeakPolarHBondContact O-CG 3.29Å; M241-K245 PolarHBondContact O-N 3.25Å; D242-K245 WeakPolarHBondContact O-CB 3.01Å; D242-K245 PolarHBondContact O-N 2.52Å; K245-K249 PolarHBondContact O-N 3.39Å
246M88Confident85.9Confident82 Ų8246.6 Ų46.640%0.40423%0.227SC..Hα-helixtrans-67.8-36.9-178.8-69.3-62.4-125.100112.9D242 E243 C244 P250 W323D242-M246 VanDerWaalsContact O-CG 3.24Å; D242-M246 WeakPolarHBondContact O-CG 3.45Å; D242-M246 PolarHBondContact O-N 2.91Å; D242-M246 VanDerWaalsContact O-N 3.09Å; E243-M246 PolarHBondContact O-N 3.14Å; C244-M246 PolarHBondContact O-N 2.92Å; M246-P250 WeakPolarHBondContact O-CD 3.03Å; M246-P250 WeakPolarHBondContact O-CG 3.23Å; M246-W323 HydrophobicContact CB-CD2 3.99Å; M246-W323 HydrophobicContact CB-CE3 4.17Å; M246-W323 HydrophobicContact CB-CZ2 4.33Å; M246-W323 HydrophobicContact CE-CD2 4.27Å; M246-W323 HydrophobicContact CE-CG 3.68Å; M246-W323 HydrophobicContact CG-CD2 4.44Å; M246-W323 WeakPolarHBondContact O-CH2 3.32Å; M246-W323 WeakPolarHBondContact O-CZ2 3.42Å; M246-W323 HydrophobicContact SD-CD2 4.39Å; M246-W323 HydrophobicContact SD-CG 4.39Å; M246-W323 PolarHBondContact SD-NE1 3.46Å; M246-W323 VanDerWaalsContact SD-NE1 3.36Å
247V89.7Confident86.8Confident6 Ų644.6 Ų44.64%0.03621%0.213CC..Hα-helixtrans-85.4-26.3176.6-62.70000113.2E243 C244 P250 W251 E276 V277 R280E243-V247 PolarHBondContact O-N 3.45Å; C244-V247 VanDerWaalsContact O-CG2 3.29Å; C244-V247 WeakPolarHBondContact O-CG2 3.42Å; C244-V247 PolarHBondContact O-N 3.4Å; V247-P250 WeakPolarHBondContact O-CD 3.49Å; V247-W251 WeakPolarHBondContact O-CB 2.92Å; V247-W251 PolarHBondContact O-N 3.3Å; V247-E276 HydrophobicContact CB-CB 4.26Å; V247-E276 HydrophobicContact CG1-CB 4.13Å; V247-V277 HydrophobicContact CB-CG2 4.23Å; V247-V277 HydrophobicContact CG2-CB 4.46Å; V247-V277 HydrophobicContact CG2-CG2 3.92Å; V247-V277 WeakPolarHBondContact O-CG2 3.5Å; V247-R280 HydrophobicContact CG2-CB 4.05Å
248Y92.4Very high87.5Confident35 Ų3542.7 Ų42.714%0.13720%0.196CC..Hα-helixtrans-72-41.2-179.2-171.7-94.3000112.9Y220 F223 C244 W251 L252 V277 F299Y220-Y248 AromaticContact CD2-CD1 3.78Å; Y220-Y248 HydrophobicContact CD2-CD1 3.78Å; Y220-Y248 HydrophobicContact CD2-CE1 4.21Å; Y220-Y248 AromaticContact CE2-CD1 3.88Å; Y220-Y248 HydrophobicContact CE2-CD1 3.88Å; F223-Y248 HydrophobicContact CB-CD1 4.2Å; F223-Y248 HydrophobicContact CB-CE1 3.55Å; F223-Y248 AromaticContact CD1-CD1 3.36Å; F223-Y248 HydrophobicContact CD1-CD1 3.36Å; F223-Y248 AromaticContact CD1-CE1 3.66Å; F223-Y248 HydrophobicContact CD1-CE1 3.66Å; F223-Y248 AromaticContact CD1-CG 3.99Å; F223-Y248 HydrophobicContact CD1-CG 3.99Å; F223-Y248 HydrophobicContact CD2-CD1 4.09Å; F223-Y248 HydrophobicContact CD2-CD2 4.3Å; F223-Y248 AromaticContact CD2-CE1 3.9Å; F223-Y248 HydrophobicContact CD2-CE1 3.9Å; F223-Y248 HydrophobicContact CD2-CE2 4.11Å; F223-Y248 HydrophobicContact CD2-CG 4.29Å; F223-Y248 AromaticContact CD2-CZ 3.9Å; F223-Y248 AromaticContact CE1-CD1 3.63Å; F223-Y248 HydrophobicContact CE1-CD1 3.63Å; F223-Y248 HydrophobicContact CE1-CE1 4.31Å; F223-Y248 AromaticContact CE1-CG 3.79Å; F223-Y248 HydrophobicContact CE1-CG 3.79Å; F223-Y248 HydrophobicContact CE2-CD1 4.33Å; F223-Y248 HydrophobicContact CE2-CD2 4.12Å; F223-Y248 HydrophobicContact CE2-CE2 4.33Å; F223-Y248 HydrophobicContact CE2-CG 4.12Å; F223-Y248 AromaticContact CG-CD1 3.61Å; F223-Y248 HydrophobicContact CG-CD1 3.61Å; F223-Y248 AromaticContact CG-CE1 3.41Å; F223-Y248 HydrophobicContact CG-CE1 3.41Å; F223-Y248 VanDerWaalsContact CG-CE1 3.41Å; F223-Y248 HydrophobicContact CG-CE2 4.45Å; F223-Y248 HydrophobicContact CG-CG 4.22Å; F223-Y248 AromaticContact CG-CZ 3.87Å; F223-Y248 HydrophobicContact CZ-CD1 4.11Å; F223-Y248 HydrophobicContact CZ-CD2 4.27Å; F223-Y248 AromaticContact CZ-CG 3.86Å; F223-Y248 HydrophobicContact CZ-CG 3.86Å; C244-Y248 VanDerWaalsContact O-CB 3.23Å; C244-Y248 WeakPolarHBondContact O-CB 3.46Å; C244-Y248 PolarHBondContact O-N 2.74Å; Y248-W251 AromaticContact CD2-CE3 3.85Å; Y248-W251 HydrophobicContact CD2-CE3 3.85Å; Y248-W251 HydrophobicContact CD2-CZ3 4.16Å; Y248-W251 HydrophobicContact CE1-CZ3 4.43Å; Y248-W251 AromaticContact CE2-CE3 3.64Å; Y248-W251 HydrophobicContact CE2-CE3 3.64Å; Y248-W251 HydrophobicContact CE2-CH2 4.49Å; Y248-W251 AromaticContact CE2-CZ3 3.45Å; Y248-W251 HydrophobicContact CE2-CZ3 3.45Å; Y248-W251 VanDerWaalsContact CE2-CZ3 3.45Å; Y248-W251 HydrophobicContact CG-CE3 4.43Å; Y248-W251 AromaticContact CZ-CZ3 3.62Å; Y248-W251 PolarHBondContact O-N 2.94Å; Y248-L252 HydrophobicContact CE1-CD2 4.35Å; Y248-L252 WeakPolarHBondContact O-CB 3.48Å; Y248-L252 PolarHBondContact O-N 3.5Å; Y248-V277 HydrophobicContact CD2-CG1 4.02Å; Y248-V277 HydrophobicContact CD2-CG2 4.42Å; Y248-F299 HydrophobicContact CE2-CD2 4.34Å; Y248-F299 HydrophobicContact CE2-CE2 4.13Å
249K93.3Very high88.3Confident51 Ų5133 Ų3322%0.22216%0.16CC..Hα-helixtrans-57.7-53.4178.7176.8-176.2-176.2-163.60113.1F168 N170 Y220 K245 L252 C253F168-K249 HydrophobicContact CE1-CG 4.34Å; F168-K249 HydrophobicContact CE2-CD 4.23Å; F168-K249 HydrophobicContact CE2-CG 4.4Å; F168-K249 HydrophobicContact CZ-CD 4.17Å; F168-K249 HydrophobicContact CZ-CG 3.84Å; F168-K249 WeakPolarHBondContact O-CE 3.2Å; F168-K249 PolarHBondContact O-NZ 3.27Å; N170-K249 PolarHBondContact OD1-NZ 2.83Å; N170-K249 VanDerWaalsContact OD1-NZ 3.09Å; Y220-K249 HydrophobicContact CD2-CB 4.05Å; Y220-K249 HydrophobicContact CE2-CB 3.53Å; Y220-K249 HydrophobicContact CE2-CG 4.37Å; K245-K249 PolarHBondContact O-N 3.39Å; K249-L252 WeakPolarHBondContact O-CB 3.08Å; K249-L252 PolarHBondContact O-N 3.18Å; K249-C253 PolarHBondContact O-N 2.03Å; K249-C253 PolarHBondContact O-SG 3.18Å; K249-C253 VanDerWaalsContact O-SG 3.42Å
250P90.8Very high88.7Confident11 Ų1133.5 Ų33.57%0.07116%0.163CC..Hα-helixtrans-67.1-35.5178.61.72.5000112.6M246 V247 L252 C253 S254 Y273 V321 W323M246-P250 WeakPolarHBondContact O-CD 3.03Å; M246-P250 WeakPolarHBondContact O-CG 3.23Å; V247-P250 WeakPolarHBondContact O-CD 3.49Å; P250-L252 VanDerWaalsContact C-N 3.33Å; P250-L252 PolarHBondContact O-N 2.87Å; P250-C253 PolarHBondContact O-N 3.5Å; P250-S254 WeakPolarHBondContact O-CB 3.35Å; P250-S254 PolarHBondContact O-N 2.97Å; P250-Y273 HydrophobicContact CB-CD1 4.02Å; P250-Y273 HydrophobicContact CB-CE1 3.79Å; P250-Y273 HydrophobicContact CB-CE2 4.41Å; P250-Y273 HydrophobicContact CB-CG 4.46Å; P250-Y273 HydrophobicContact CG-CD1 4.3Å; P250-Y273 HydrophobicContact CG-CE1 4.04Å; P250-V321 HydrophobicContact CB-CG2 3.59Å; P250-V321 HydrophobicContact CG-CG2 3.51Å; P250-W323 HydrophobicContact CG-CH2 3.43Å; P250-W323 VanDerWaalsContact CG-CH2 3.43Å; P250-W323 HydrophobicContact CG-CZ2 3.88Å
251W91.9Very high88.7Confident37 Ų3732.8 Ų32.814%0.1416%0.158CC..Hα-helixtrans-55.7-50.2169.9170.473.6000110.7V247 Y248 C253 S254 Q255 C274 V277 F299V247-W251 WeakPolarHBondContact O-CB 2.92Å; V247-W251 PolarHBondContact O-N 3.3Å; Y248-W251 AromaticContact CD2-CE3 3.85Å; Y248-W251 HydrophobicContact CD2-CE3 3.85Å; Y248-W251 HydrophobicContact CD2-CZ3 4.16Å; Y248-W251 HydrophobicContact CE1-CZ3 4.43Å; Y248-W251 AromaticContact CE2-CE3 3.64Å; Y248-W251 HydrophobicContact CE2-CE3 3.64Å; Y248-W251 HydrophobicContact CE2-CH2 4.49Å; Y248-W251 AromaticContact CE2-CZ3 3.45Å; Y248-W251 HydrophobicContact CE2-CZ3 3.45Å; Y248-W251 VanDerWaalsContact CE2-CZ3 3.45Å; Y248-W251 HydrophobicContact CG-CE3 4.43Å; Y248-W251 AromaticContact CZ-CZ3 3.62Å; Y248-W251 PolarHBondContact O-N 2.94Å; W251-C253 PolarHBondContact O-N 3.47Å; W251-S254 WeakPolarHBondContact O-CB 3.36Å; W251-S254 PolarHBondContact O-N 3.24Å; W251-S254 VanDerWaalsContact O-N 3.14Å; W251-S254 PolarHBondContact O-OG 3.13Å; W251-Q255 HydrophobicContact CD2-CG 4.43Å; W251-Q255 HydrophobicContact CH2-CG 4.39Å; W251-Q255 HydrophobicContact CZ2-CG 3.86Å; W251-Q255 PolarHBondContact O-N 3.1Å; W251-C274 VanDerWaalsContact CD1-CA 3.49Å; W251-V277 HydrophobicContact CB-CG2 3.77Å; W251-V277 HydrophobicContact CG-CG2 4.07Å; W251-F299 AromaticContact CD2-CE2 3.81Å; W251-F299 HydrophobicContact CD2-CE2 3.81Å; W251-F299 AromaticContact CD2-CZ 3.74Å; W251-F299 HydrophobicContact CD2-CZ 3.74Å; W251-F299 AromaticContact CE2-CE2 3.59Å; W251-F299 AromaticContact CE2-CZ 3.43Å; W251-F299 VanDerWaalsContact CE2-CZ 3.43Å; W251-F299 AromaticContact CE3-CE2 3.82Å; W251-F299 HydrophobicContact CE3-CE2 3.82Å; W251-F299 HydrophobicContact CE3-CZ 4.22Å; W251-F299 HydrophobicContact CG-CZ 4.24Å; W251-F299 HydrophobicContact CH2-CD2 4.41Å; W251-F299 AromaticContact CH2-CE2 3.48Å; W251-F299 HydrophobicContact CH2-CE2 3.48Å; W251-F299 VanDerWaalsContact CH2-CE2 3.48Å; W251-F299 HydrophobicContact CH2-CZ 4.21Å; W251-F299 AromaticContact CZ2-CE2 3.42Å; W251-F299 HydrophobicContact CZ2-CE2 3.42Å; W251-F299 VanDerWaalsContact CZ2-CE2 3.42Å; W251-F299 AromaticContact CZ2-CZ 3.69Å; W251-F299 HydrophobicContact CZ2-CZ 3.69Å; W251-F299 AromaticContact CZ3-CE2 3.69Å; W251-F299 HydrophobicContact CZ3-CE2 3.69Å; W251-F299 HydrophobicContact CZ3-CZ 4.45Å; W251-F299 AromaticContact NE1-CZ 3.73Å
252L93Very high88.2Confident8 Ų834.2 Ų34.24%0.04217%0.165CC..Hα-helixtrans-60-47.8179.5-173.866.5000111.4A216 N219 Y220 Y248 K249 P250 S254 Q255 Y256A216-L252 VanDerWaalsContact O-CD2 3.22Å; A216-L252 WeakPolarHBondContact O-CD2 3.4Å; N219-L252 HydrophobicContact CB-CD1 4.45Å; N219-L252 HydrophobicContact CB-CD2 4.19Å; Y220-L252 HydrophobicContact CD2-CD2 4.33Å; Y248-L252 HydrophobicContact CE1-CD2 4.35Å; Y248-L252 WeakPolarHBondContact O-CB 3.48Å; Y248-L252 PolarHBondContact O-N 3.5Å; K249-L252 WeakPolarHBondContact O-CB 3.08Å; K249-L252 PolarHBondContact O-N 3.18Å; P250-L252 VanDerWaalsContact C-N 3.33Å; P250-L252 PolarHBondContact O-N 2.87Å; L252-S254 VanDerWaalsContact C-N 3.26Å; L252-S254 PolarHBondContact O-N 2.58Å; L252-Q255 WeakPolarHBondContact O-CB 3.1Å; L252-Q255 PolarHBondContact O-N 3.35Å; L252-Y256 HydrophobicContact CD1-CD2 4.31Å; L252-Y256 HydrophobicContact CD1-CE2 3.91Å; L252-Y256 HydrophobicContact CG-CD2 4.27Å; L252-Y256 HydrophobicContact CG-CE2 4.17Å; L252-Y256 WeakPolarHBondContact O-CD2 3.16Å; L252-Y256 PolarHBondContact O-N 2.87Å
253C92.3Very high87.6Confident1 Ų131 Ų311%0.00715%0.147CC..Hα-helixtrans-58.4-37.4176.1-68.60000112.4C169 Y172 K249 P250 W251 Q255 Y256 F257C169-C253 WeakPolarHBondContact CA-SG 3.17Å; C169-C253 HydrophobicContact CB-CB 3.81Å; C169-C253 WeakPolarHBondContact CB-SG 2.98Å; C169-C253 WeakPolarHBondContact SG-CB 3.47Å; C169-C253 CovalentContact SG-SG 2.04Å; C169-C253 PolarHBondContact SG-SG 3.24Å; Y172-C253 HydrophobicContact CD2-CB 4.34Å; Y172-C253 HydrophobicContact CE2-CB 3.77Å; K249-C253 PolarHBondContact O-N 2.03Å; K249-C253 PolarHBondContact O-SG 3.18Å; K249-C253 VanDerWaalsContact O-SG 3.42Å; P250-C253 PolarHBondContact O-N 3.5Å; W251-C253 PolarHBondContact O-N 3.47Å; C253-Q255 VanDerWaalsContact C-N 3.27Å; C253-Q255 PolarHBondContact O-N 2.96Å; C253-Y256 PolarHBondContact O-N 2.97Å; C253-F257 PolarHBondContact O-N 2.86Å
254S89.4Confident87.2Confident2 Ų229.5 Ų29.51%0.01414%0.141CC..Hα-helixtrans-67.3-24.2175.778.90000114.2Y172 P250 W251 L252Y172-S254 WeakPolarHBondContact OH-CA 3.22Å; P250-S254 WeakPolarHBondContact O-CB 3.35Å; P250-S254 PolarHBondContact O-N 2.97Å; W251-S254 WeakPolarHBondContact O-CB 3.36Å; W251-S254 PolarHBondContact O-N 3.24Å; W251-S254 VanDerWaalsContact O-N 3.14Å; W251-S254 PolarHBondContact O-OG 3.13Å; L252-S254 VanDerWaalsContact C-N 3.26Å; L252-S254 PolarHBondContact O-N 2.58Å
255Q88.3Confident86.6Confident59 Ų5933.5 Ų33.528%0.27617%0.169SC..Hα-helixtrans-76-36.4174.2-63.6-55.3-66.800111.9W251 L252 C253 Q258W251-Q255 HydrophobicContact CD2-CG 4.43Å; W251-Q255 HydrophobicContact CH2-CG 4.39Å; W251-Q255 HydrophobicContact CZ2-CG 3.86Å; W251-Q255 PolarHBondContact O-N 3.1Å; L252-Q255 WeakPolarHBondContact O-CB 3.1Å; L252-Q255 PolarHBondContact O-N 3.35Å; C253-Q255 VanDerWaalsContact C-N 3.27Å; C253-Q255 PolarHBondContact O-N 2.96Å; Q255-Q258 PolarHBondContact O-NE2 2.9Å
256Y87.9Confident86.2Confident36 Ų3635.3 Ų35.314%0.14118%0.181CC..Hα-helixtrans-75.8-41.4176.7-83.5-87.6000112.8F181 L212 Q215 A216 N219 L252 C253F181-Y256 WeakPolarHBondContact CE2-O 3.43Å; F181-Y256 WeakPolarHBondContact CZ-O 3.42Å; L212-Y256 HydrophobicContact CB-CD1 4.37Å; L212-Y256 HydrophobicContact CD2-CD1 4.19Å; Q215-Y256 HydrophobicContact CB-CE1 3.85Å; Q215-Y256 HydrophobicContact CG-CE1 3.95Å; Q215-Y256 WeakPolarHBondContact CG-OH 3.37Å; A216-Y256 HydrophobicContact CB-CD1 4.41Å; A216-Y256 HydrophobicContact CB-CD2 3.6Å; A216-Y256 HydrophobicContact CB-CE2 3.8Å; A216-Y256 HydrophobicContact CB-CG 3.93Å; N219-Y256 PolarHBondContact ND2-OH 3.34Å; L252-Y256 HydrophobicContact CD1-CD2 4.31Å; L252-Y256 HydrophobicContact CD1-CE2 3.91Å; L252-Y256 HydrophobicContact CG-CD2 4.27Å; L252-Y256 HydrophobicContact CG-CE2 4.17Å; L252-Y256 WeakPolarHBondContact O-CD2 3.16Å; L252-Y256 PolarHBondContact O-N 2.87Å; C253-Y256 PolarHBondContact O-N 2.97Å
257F87.6Confident86.1Confident0 Ų036.3 Ų36.30%018%0.18CC..  trans-115.988-176.6-57.8-71.4000110.2L166 C169 Y172 L177 F181 Y209 L212 D213 C253 T259L166-F257 HydrophobicContact CD1-CD2 4.27Å; L166-F257 HydrophobicContact CD1-CE1 4.05Å; L166-F257 HydrophobicContact CD1-CE2 3.52Å; L166-F257 HydrophobicContact CD1-CZ 3.38Å; C169-F257 HydrophobicContact CB-CD2 4.33Å; C169-F257 HydrophobicContact CB-CE2 4.02Å; Y172-F257 HydrophobicContact CD1-CB 3.94Å; Y172-F257 HydrophobicContact CD2-CD2 4.44Å; Y172-F257 HydrophobicContact CE1-CB 3.62Å; Y172-F257 HydrophobicContact CE2-CB 4.44Å; Y172-F257 HydrophobicContact CG-CB 4.45Å; Y172-F257 PolarHBondContact OH-O 3.18Å; L177-F257 HydrophobicContact CD2-CB 4.17Å; L177-F257 HydrophobicContact CD2-CD1 3.39Å; L177-F257 HydrophobicContact CD2-CE1 3.94Å; L177-F257 HydrophobicContact CD2-CG 3.91Å; F181-F257 HydrophobicContact CD2-CD1 4.43Å; F181-F257 HydrophobicContact CE2-CD1 4.29Å; F181-F257 HydrophobicContact CZ-CD1 4.42Å; Y209-F257 HydrophobicContact CD1-CE1 4.46Å; L212-F257 HydrophobicContact CB-CE1 3.91Å; L212-F257 HydrophobicContact CB-CZ 3.76Å; L212-F257 HydrophobicContact CD1-CE1 4.05Å; D213-F257 HydrophobicContact CB-CZ 4.45Å; C253-F257 PolarHBondContact O-N 2.86Å; F257-T259 PolarHBondContact O-N 3.37Å
258Q82.9Confident86Confident79 Ų7937.5 Ų37.537%0.36919%0.186SC..  trans-80.759.3179-62.2174.54.900110.6Q255 G311 V312Q255-Q258 PolarHBondContact O-NE2 2.9Å; Q258-G311 PolarHBondContact OE1-O 2.84Å; Q258-V312 HydrophobicContact CG-CG2 4.12Å
259T83.6Confident85.8Confident5 Ų539.3 Ų39.33%0.03120%0.202CC..SBendtrans-130153.6-179.3-163.80000111.7Y172 D176 L177 G180 F257Y172-T259 HydrophobicContact CD1-CG2 4Å; Y172-T259 HydrophobicContact CE1-CG2 3.86Å; D176-T259 HydrophobicContact CB-CG2 4.5Å; D176-T259 PolarHBondContact O-OG1 3.17Å; L177-T259 HydrophobicContact CD2-CG2 4.27Å; G180-T259 VanDerWaalsContact CA-OG1 3.26Å; G180-T259 WeakPolarHBondContact CA-OG1 3.4Å; G180-T259 PolarHBondContact O-OG1 2.82Å; G180-T259 VanDerWaalsContact O-OG1 3.1Å; F257-T259 PolarHBondContact O-N 3.37Å
260T83.9Confident85.5Confident46 Ų4637.1 Ų37.128%0.28219%0.193SC..  trans-79.5119.9176.4-65.80000109.7I262 E317T260-I262 PolarHBondContact O-N 3.28Å; T260-E317 CarbonylContact C-O 3.55Å; T260-E317 WeakPolarHBondContact CA-O 3.27Å; T260-E317 HydrophobicContact CG2-CB 4.04Å
261Q84.8Confident85.2Confident3 Ų338.5 Ų38.51%0.01421%0.21CC..  trans-76.1121.5174.5-64.5171.233.200108.9S171 Y172 R267 E317 C319S171-Q261 PolarHBondContact O-OE1 3.47Å; Y172-Q261 HydrophobicContact CD1-CG 4Å; Y172-Q261 HydrophobicContact CE1-CG 3.8Å; Y172-Q261 PolarHBondContact OH-NE2 3.05Å; Q261-R267 PolarHBondContact O-NE 3.3Å; Q261-E317 PolarHBondContact N-O 3.22Å; Q261-C319 VanDerWaalsContact CB-SG 3.51Å; Q261-C319 PolarHBondContact OE1-SG 3.2Å
262I77.8Confident85Confident59 Ų5939.7 Ų39.730%0.30322%0.217SC..  trans-96.6-25.3-177.954.7164.8000112.3L175 D176 T260 C264 R267L175-I262 HydrophobicContact CD2-CD1 3.9Å; L175-I262 HydrophobicContact CG-CD1 4.12Å; D176-I262 WeakPolarHBondContact OD1-CG1 3.41Å; D176-I262 PolarHBondContact OD1-N 3.25Å; T260-I262 PolarHBondContact O-N 3.28Å; I262-C264 PolarHBondContact O-N 3.07Å; I262-R267 VanDerWaalsContact CA-NH2 3.29Å; I262-R267 PolarHBondContact O-NH2 3.17Å
263H74.4Confident84.8Confident41 Ų4139.6 Ų39.619%0.1922%0.216CC..SBendtrans-98.754.3-165.9-154.2-80000114.2V129 S130V129-H263 VanDerWaalsContact CB-CE1 3.4Å; V129-H263 WeakPolarHBondContact CB-CE1 3.45Å; S130-H263 PolarHBondContact N-CE1 2.91Å
264C77.9Confident84.7Confident12 Ų1240.4 Ų40.48%0.08122%0.221CC..BIsolated β-bridgetrans-150.3155.5174.847.60000114.7D127 I262 C319D127-C264 WeakPolarHBondContact O-CA 3.39Å; I262-C264 PolarHBondContact O-N 3.07Å; C264-C319 HydrophobicContact CB-CB 3.55Å; C264-C319 WeakPolarHBondContact CB-SG 3.25Å; C264-C319 WeakPolarHBondContact SG-CA 2.97Å; C264-C319 WeakPolarHBondContact SG-CB 3.41Å; C264-C319 CovalentContact SG-SG 2.01Å; C264-C319 PolarHBondContact SG-SG 3.22Å
265S78.1Confident84.7Confident84 Ų8443.4 Ų43.459%0.58724%0.237SC*.SBendtrans-72.9-40.5-177.7-590000112.9D127D127-S265 PolarHBondContact O-N 2.69Å
266N83.4Confident84.7Confident84 Ų8441.6 Ų41.645%0.44923%0.228SC..  trans-116.4131.1-179.8-60.3-52.8000110D127 C319 D320D127-N266 PolarHBondContact OD2-ND2 3.06Å; N266-C319 CarbonylContact O-C 3.59Å; N266-C319 WeakPolarHBondContact O-CA 3.42Å; N266-D320 HydrophobicContact CB-CB 3.92Å; N266-D320 PolarHBondContact O-N 3.2Å
267R85.5Confident84.9Confident103 Ų10340 Ų4039%0.38922%0.222SC..EExtended strand (participates in β ladder)trans-124.7143.6179.2-62.7-175.2-168.1-177.92111Q261 I262 E317 C318Q261-R267 PolarHBondContact O-NE 3.3Å; I262-R267 VanDerWaalsContact CA-NH2 3.29Å; I262-R267 PolarHBondContact O-NH2 3.17Å; R267-E317 HydrophobicContact CB-CB 4.22Å; R267-E317 WeakPolarHBondContact CD-OE2 3.45Å; R267-E317 IonicContact CZ-OE2 3.93Å; R267-E317 IonicContact NH1-OE2 2.65Å; R267-E317 PolarHBondContact NH1-OE2 2.81Å; R267-C318 CarbonylContact C-O 3.58Å; R267-C318 WeakPolarHBondContact CA-O 3.49Å
268I86.9Confident85Confident31 Ų3143.6 Ų43.616%0.15924%0.239CC..EExtended strand (participates in β ladder)trans-132.8153.8174.759.5172.9000108.9C270 Q272 Y273 C318 D320I268-C270 PolarHBondContact O-N 3.03Å; I268-Q272 HydrophobicContact CD1-CB 4.3Å; I268-Q272 HydrophobicContact CD1-CG 4.37Å; I268-Y273 HydrophobicContact CD1-CD2 4.41Å; I268-Y273 HydrophobicContact CD1-CE1 4.15Å; I268-Y273 HydrophobicContact CD1-CE2 3.86Å; I268-Y273 HydrophobicContact CG1-CE2 4.2Å; I268-C318 PolarHBondContact N-O 3.43Å; I268-C318 PolarHBondContact O-N 3.47Å; I268-C318 VanDerWaalsContact O-O 3.09Å; I268-D320 HydrophobicContact CD1-CB 4.4Å; I268-D320 HydrophobicContact CG1-CB 4.33Å; I268-D320 HydrophobicContact CG2-CB 3.91Å
269P88.4Confident85.2Confident74 Ų7446.7 Ų46.748%0.48125%0.253SS..EExtended strand (participates in β ladder)trans-60.4131.317224.1-31.6000109.3G271 Q272P269-G271 PolarHBondContact O-N 3.19Å; P269-G271 VanDerWaalsContact O-N 3.09Å; P269-Q272 HydrophobicContact CG-CB 4.22Å; P269-Q272 WeakPolarHBondContact O-CB 3.14Å; P269-Q272 PolarHBondContact O-N 3.39Å
270C87Confident85.4Confident5 Ų549.4 Ų49.43%0.03426%0.263CS..THydrogen-bonded Turntrans-56.7-31.8-175.9-62.10000112.5I268 Q272 Y273 V312 A316 E317 C318I268-C270 PolarHBondContact O-N 3.03Å; C270-Q272 PolarHBondContact O-N 3.07Å; C270-Y273 WeakPolarHBondContact O-CB 3.15Å; C270-Y273 PolarHBondContact O-N 2.99Å; C270-Y273 VanDerWaalsContact O-N 3.15Å; C270-V312 HydrophobicContact CB-CG1 4.32Å; C270-A316 PolarHBondContact N-O 3.49Å; C270-A316 PolarHBondContact SG-O 2.85Å; C270-E317 VanDerWaalsContact SG-C 3.58Å; C270-C318 HydrophobicContact CB-CB 4.04Å; C270-C318 WeakPolarHBondContact CB-SG 3.45Å; C270-C318 WeakPolarHBondContact SG-CB 3.34Å; C270-C318 PolarHBondContact SG-N 3.37Å; C270-C318 CovalentContact SG-SG 2.03Å; C270-C318 PolarHBondContact SG-SG 3.34Å
271G84.1Confident85.7Confident40 Ų4048.4 Ų48.441%0.41226%0.258SS..Hα-helixtrans-60.1-22.9174.600000114.5P269 Y273 C274P269-G271 PolarHBondContact O-N 3.19Å; P269-G271 VanDerWaalsContact O-N 3.09Å; G271-Y273 VanDerWaalsContact C-N 3.25Å; G271-Y273 PolarHBondContact O-N 3.01Å; G271-C274 WeakPolarHBondContact O-CB 3.35Å; G271-C274 PolarHBondContact O-N 3.09Å; G271-C274 VanDerWaalsContact O-N 3.17Å
272Q87.6Confident85.9Confident62 Ų6249 Ų4929%0.2926%0.262SS..Hα-helixtrans-60.1-36.9175.5-173.861.92300111.4I268 P269 C270 C274 L275 E276I268-Q272 HydrophobicContact CD1-CB 4.3Å; I268-Q272 HydrophobicContact CD1-CG 4.37Å; P269-Q272 HydrophobicContact CG-CB 4.22Å; P269-Q272 WeakPolarHBondContact O-CB 3.14Å; P269-Q272 PolarHBondContact O-N 3.39Å; C270-Q272 PolarHBondContact O-N 3.07Å; Q272-C274 PolarHBondContact O-N 3.18Å; Q272-L275 WeakPolarHBondContact O-CB 3.27Å; Q272-L275 PolarHBondContact O-N 3.17Å; Q272-E276 HydrophobicContact CG-CG 4.28Å; Q272-E276 PolarHBondContact NE2-OE1 3.27Å; Q272-E276 WeakPolarHBondContact O-CG 3.46Å; Q272-E276 PolarHBondContact O-N 3.33Å
273Y88.7Confident86.4Confident6 Ų651.7 Ų51.72%0.02427%0.272CS..Hα-helixtrans-56.6-36178-79.2-62.3000112.9P250 I268 C270 G271 E276 V277 C318 C319 V321P250-Y273 HydrophobicContact CB-CD1 4.02Å; P250-Y273 HydrophobicContact CB-CE1 3.79Å; P250-Y273 HydrophobicContact CB-CE2 4.41Å; P250-Y273 HydrophobicContact CB-CG 4.46Å; P250-Y273 HydrophobicContact CG-CD1 4.3Å; P250-Y273 HydrophobicContact CG-CE1 4.04Å; I268-Y273 HydrophobicContact CD1-CD2 4.41Å; I268-Y273 HydrophobicContact CD1-CE1 4.15Å; I268-Y273 HydrophobicContact CD1-CE2 3.86Å; I268-Y273 HydrophobicContact CG1-CE2 4.2Å; C270-Y273 WeakPolarHBondContact O-CB 3.15Å; C270-Y273 PolarHBondContact O-N 2.99Å; C270-Y273 VanDerWaalsContact O-N 3.15Å; G271-Y273 VanDerWaalsContact C-N 3.25Å; G271-Y273 PolarHBondContact O-N 3.01Å; Y273-E276 PolarHBondContact O-N 3.15Å; Y273-V277 WeakPolarHBondContact O-CG2 3.37Å; Y273-V277 PolarHBondContact O-N 2.98Å; Y273-C318 HydrophobicContact CD2-CB 4.33Å; Y273-C318 HydrophobicContact CE2-CB 3.75Å; Y273-C319 PolarHBondContact OH-O 3.33Å; Y273-V321 HydrophobicContact CE1-CG2 3.82Å; Y273-V321 WeakPolarHBondContact OH-CG2 3.39Å; Y273-V321 PolarHBondContact OH-N 3.17Å
274C90.9Very high87.1Confident18 Ų1851.6 Ų51.612%0.12227%0.274CS..Hα-helixtrans-61.8-47.6176.4-166.40000110.8W251 G271 Q272 E276 V277 Q278 C301W251-C274 VanDerWaalsContact CD1-CA 3.49Å; G271-C274 WeakPolarHBondContact O-CB 3.35Å; G271-C274 PolarHBondContact O-N 3.09Å; G271-C274 VanDerWaalsContact O-N 3.17Å; Q272-C274 PolarHBondContact O-N 3.18Å; C274-E276 VanDerWaalsContact C-N 3.29Å; C274-E276 PolarHBondContact O-N 3.3Å; C274-V277 WeakPolarHBondContact O-CB 2.96Å; C274-V277 PolarHBondContact O-N 2.84Å; C274-V277 VanDerWaalsContact O-N 3.17Å; C274-Q278 PolarHBondContact O-N 2.98Å; C274-C301 WeakPolarHBondContact CA-SG 3.46Å; C274-C301 HydrophobicContact CB-CB 3.92Å; C274-C301 WeakPolarHBondContact CB-SG 3.35Å; C274-C301 PolarHBondContact O-SG 3.31Å; C274-C301 WeakPolarHBondContact SG-CA 3.47Å; C274-C301 WeakPolarHBondContact SG-CB 3.47Å; C274-C301 CovalentContact SG-SG 2.02Å; C274-C301 PolarHBondContact SG-SG 2.99Å
275L89Confident87.5Confident64 Ų6455.7 Ų55.734%0.33529%0.294SS..Hα-helixtrans-63.2-37.8179.2-59178.3000111.5Q272 V277 Q278 Q279 C301Q272-L275 WeakPolarHBondContact O-CB 3.27Å; Q272-L275 PolarHBondContact O-N 3.17Å; L275-V277 VanDerWaalsContact C-N 3.33Å; L275-V277 PolarHBondContact O-N 3.34Å; L275-Q278 PolarHBondContact O-N 2.89Å; L275-Q279 WeakPolarHBondContact O-CG 2.99Å; L275-Q279 PolarHBondContact O-N 2.92Å; L275-C301 HydrophobicContact CD2-CB 4.11Å
276E89.3Confident88Confident22 Ų2252.8 Ų52.810%0.10327%0.273CS..Hα-helixtrans-64.5-36.8176.2-61.5-56.4160.100112.1V247 Q272 Y273 C274 Q279 R280V247-E276 HydrophobicContact CB-CB 4.26Å; V247-E276 HydrophobicContact CG1-CB 4.13Å; Q272-E276 HydrophobicContact CG-CG 4.28Å; Q272-E276 PolarHBondContact NE2-OE1 3.27Å; Q272-E276 WeakPolarHBondContact O-CG 3.46Å; Q272-E276 PolarHBondContact O-N 3.33Å; Y273-E276 PolarHBondContact O-N 3.15Å; C274-E276 VanDerWaalsContact C-N 3.29Å; C274-E276 PolarHBondContact O-N 3.3Å; E276-Q279 PolarHBondContact O-N 2.86Å; E276-R280 WeakPolarHBondContact O-CB 3.3Å; E276-R280 PolarHBondContact O-N 3.48Å; E276-R280 IonicContact OE2-CZ 3.45Å; E276-R280 IonicContact OE2-NH1 2.58Å; E276-R280 PolarHBondContact OE2-NH1 2.67Å; E276-R280 IonicContact OE2-NH2 3.53Å
277V90.9Very high88.1Confident2 Ų254.5 Ų54.51%0.01228%0.283CS..Hα-helixtrans-63.2-47.6172.7173.60000110.4V247 Y248 W251 Y273 C274 L275 Q279 R280 C281 F299V247-V277 HydrophobicContact CB-CG2 4.23Å; V247-V277 HydrophobicContact CG2-CB 4.46Å; V247-V277 HydrophobicContact CG2-CG2 3.92Å; V247-V277 WeakPolarHBondContact O-CG2 3.5Å; Y248-V277 HydrophobicContact CD2-CG1 4.02Å; Y248-V277 HydrophobicContact CD2-CG2 4.42Å; W251-V277 HydrophobicContact CB-CG2 3.77Å; W251-V277 HydrophobicContact CG-CG2 4.07Å; Y273-V277 WeakPolarHBondContact O-CG2 3.37Å; Y273-V277 PolarHBondContact O-N 2.98Å; C274-V277 WeakPolarHBondContact O-CB 2.96Å; C274-V277 PolarHBondContact O-N 2.84Å; C274-V277 VanDerWaalsContact O-N 3.17Å; L275-V277 VanDerWaalsContact C-N 3.33Å; L275-V277 PolarHBondContact O-N 3.34Å; V277-Q279 PolarHBondContact O-N 2.02Å; V277-R280 PolarHBondContact O-N 3.31Å; V277-C281 HydrophobicContact CG1-CB 4.19Å; V277-C281 WeakPolarHBondContact O-CB 3.25Å; V277-C281 PolarHBondContact O-N 3.1Å; V277-F299 HydrophobicContact CB-CD1 4.29Å; V277-F299 HydrophobicContact CB-CE1 3.62Å; V277-F299 HydrophobicContact CB-CE2 4.41Å; V277-F299 HydrophobicContact CB-CZ 3.69Å; V277-F299 HydrophobicContact CG1-CD1 3.67Å; V277-F299 HydrophobicContact CG1-CD2 3.94Å; V277-F299 HydrophobicContact CG1-CE1 3.41Å; V277-F299 VanDerWaalsContact CG1-CE1 3.41Å; V277-F299 HydrophobicContact CG1-CE2 3.67Å; V277-F299 HydrophobicContact CG1-CG 3.93Å; V277-F299 HydrophobicContact CG1-CZ 3.42Å; V277-F299 VanDerWaalsContact CG1-CZ 3.42Å; V277-F299 HydrophobicContact CG2-CZ 4.25Å
278Q89.5Confident88Confident76 Ų7653 Ų5336%0.35528%0.282SS..Hα-helixtrans-58.4-34177.3-75.2-173-49.400113.3C274 L275 F299 C301C274-Q278 PolarHBondContact O-N 2.98Å; L275-Q278 PolarHBondContact O-N 2.89Å; Q278-F299 HydrophobicContact CG-CD1 3.7Å; Q278-F299 HydrophobicContact CG-CE1 3.95Å; Q278-C301 VanDerWaalsContact CG-SG 3.6Å; Q278-C301 VanDerWaalsContact NE2-N 3.13Å; Q278-C301 PolarHBondContact OE1-SG 3.09Å; Q278-C301 VanDerWaalsContact OE1-SG 3.42Å
279Q87.3Confident87.9Confident143 Ų14358.6 Ų58.667%0.66831%0.312SS*.Hα-helixtrans-83.1-33.6-177.9-70178.318.500113.4L275 E276 V277L275-Q279 WeakPolarHBondContact O-CG 2.99Å; L275-Q279 PolarHBondContact O-N 2.92Å; E276-Q279 PolarHBondContact O-N 2.86Å; V277-Q279 PolarHBondContact O-N 2.02Å
280R87.9Confident87.6Confident63 Ų6362.6 Ų62.624%0.23833%0.33CS..Hα-helixtrans-101.8-20.3-174.4-67.2-16317873.49.1114.8T239 V247 E276 V277T239-R280 WeakPolarHBondContact CG2-O 3.46Å; V247-R280 HydrophobicContact CG2-CB 4.05Å; E276-R280 WeakPolarHBondContact O-CB 3.3Å; E276-R280 PolarHBondContact O-N 3.48Å; E276-R280 IonicContact OE2-CZ 3.45Å; E276-R280 IonicContact OE2-NH1 2.58Å; E276-R280 PolarHBondContact OE2-NH1 2.67Å; E276-R280 IonicContact OE2-NH2 3.53Å; V277-R280 PolarHBondContact O-N 3.31Å
281C90.3Very high87.4Confident25 Ų2566.1 Ų66.117%0.16935%0.348CS..SBendtrans-89.1151178.9-68.40000112.1C244 V277C244-C281 VanDerWaalsContact CA-SG 3.51Å; C244-C281 HydrophobicContact CB-CB 3.97Å; C244-C281 WeakPolarHBondContact CB-SG 2.8Å; C244-C281 WeakPolarHBondContact SG-CA 2.99Å; C244-C281 WeakPolarHBondContact SG-CB 3.45Å; C244-C281 CovalentContact SG-SG 2.03Å; C244-C281 PolarHBondContact SG-SG 2.88Å; V277-C281 HydrophobicContact CG1-CB 4.19Å; V277-C281 WeakPolarHBondContact O-CB 3.25Å; V277-C281 PolarHBondContact O-N 3.1Å
282P89.4Confident87.6Confident16 Ų1671.3 Ų71.310%0.10437%0.365CS..  trans-67.9158.8179.229.5-36.5000111.3Y230 T239 M241 V284Y230-P282 HydrophobicContact CD1-CG 4.34Å; Y230-P282 HydrophobicContact CD2-CG 4.35Å; Y230-P282 HydrophobicContact CE1-CB 3.75Å; Y230-P282 HydrophobicContact CE1-CG 3.98Å; Y230-P282 HydrophobicContact CE2-CB 3.86Å; Y230-P282 HydrophobicContact CE2-CG 4.03Å; Y230-P282 VanDerWaalsContact OH-CB 3.27Å; Y230-P282 WeakPolarHBondContact OH-CB 3.31Å; T239-P282 HydrophobicContact CG2-CB 4.33Å; M241-P282 HydrophobicContact CE-CG 3.91Å; M241-P282 HydrophobicContact SD-CG 3.6Å; P282-V284 HydrophobicContact CG-CG2 4.42Å; P282-V284 PolarHBondContact O-N 3.31Å
283F88.1Confident87.3Confident115 Ų11571.2 Ų71.250%0.50436%0.364SS..  trans-68.4114.2167.1-176.1-83.1000109.2L285 G295 P297F283-L285 HydrophobicContact CE1-CB 4.1Å; F283-L285 HydrophobicContact CE1-CD1 3.92Å; F283-L285 HydrophobicContact CZ-CD1 4.09Å; F283-G295 WeakPolarHBondContact CZ-O 3.33Å; F283-P297 HydrophobicContact CD2-CB 3.65Å; F283-P297 HydrophobicContact CD2-CG 4.34Å; F283-P297 HydrophobicContact CE2-CB 3.49Å; F283-P297 VanDerWaalsContact CE2-CB 3.49Å; F283-P297 HydrophobicContact CE2-CG 4.02Å; F283-P297 HydrophobicContact CZ-CB 4.22Å
284V88Confident87Confident38 Ų3874.3 Ų74.323%0.2340%0.398CS..  trans-106.9130.1171.3-178.30000107.4L226 P282 S298L226-V284 HydrophobicContact CD1-CG1 4.12Å; L226-V284 HydrophobicContact CD2-CG2 4.15Å; P282-V284 HydrophobicContact CG-CG2 4.42Å; P282-V284 PolarHBondContact O-N 3.31Å; V284-S298 PolarHBondContact O-N 2.88Å; V284-S298 PolarHBondContact O-OG 3.48Å
285L87.6Confident86.7Confident98 Ų9875.8 Ų75.851%0.51342%0.416SS..PPolyproline II helixtrans-89.4125177.4-169.971.4000109F283F283-L285 HydrophobicContact CE1-CB 4.1Å; F283-L285 HydrophobicContact CE1-CD1 3.92Å; F283-L285 HydrophobicContact CZ-CD1 4.09Å
286P88.1Confident86.6Confident23 Ų2375.7 Ų75.715%0.14942%0.421CS..PPolyproline II helixtrans-72.2152.1174.829.9-33.4000111.2H293 S296 S298P286-H293 HydrophobicContact CG-CB 3.7Å; P286-H293 VanDerWaalsContact CG-CG 3.43Å; P286-S296 VanDerWaalsContact CD-O 3.25Å; P286-S296 WeakPolarHBondContact CD-O 3.15Å; P286-S298 WeakPolarHBondContact CD-OG 3.23Å
287D86.3Confident86.6Confident121 Ų12176.9 Ų76.965%0.64743%0.43SS*.PPolyproline II helixtrans-62.8136.3174.6-62-36.7000110.6H293D287-H293 PolarHBondContact O-CD2 3.34Å; D287-H293 PolarHBondContact O-NE2 3.06Å
288N83.3Confident86.4Confident71 Ų7179.8 Ų79.838%0.3845%0.451SS..  trans-96.415.9-176.5-66.3-77.5000113.6L291 H293N288-L291 VanDerWaalsContact CA-O 3.31Å; N288-L291 WeakPolarHBondContact CA-O 3.37Å; N288-H293 PolarHBondContact OD1-N 2.71Å
289D84.1Confident86.5Confident148 Ų14878.4 Ų78.479%0.79144%0.444SS*.SBendtrans-65.5-43.1-172.1-68.2-18.5000112.3
290D81.8Confident86.5Confident159 Ų15975.5 Ų75.585%0.8544%0.436SS*.SBendtrans-100.8-22.5-177.6-64.8-37.1000113.3
291L83.8Confident86.3Confident79 Ų7973.6 Ų73.641%0.41443%0.432SS..SBendtrans-152134.9-175.6-17763.7000110.7N288 H293N288-L291 VanDerWaalsContact CA-O 3.31Å; N288-L291 WeakPolarHBondContact CA-O 3.37Å; L291-H293 PolarHBondContact O-CD2 3.06Å; L291-H293 PolarHBondContact O-N 2.79Å
292I86.9Confident85.7Confident149 Ų14977 Ų7776%0.76445%0.452SS*.  trans-79.6111.5174.8-58.6174000108.8
293H81.8Confident84.3Confident59 Ų5977.9 Ų77.927%0.27346%0.464SS..  trans-86.2-7.3-176.6-69.3-78.3000114.3P286 D287 N288 L291 G295 S296P286-H293 HydrophobicContact CG-CB 3.7Å; P286-H293 VanDerWaalsContact CG-CG 3.43Å; D287-H293 PolarHBondContact O-CD2 3.34Å; D287-H293 PolarHBondContact O-NE2 3.06Å; N288-H293 PolarHBondContact OD1-N 2.71Å; L291-H293 PolarHBondContact O-CD2 3.06Å; L291-H293 PolarHBondContact O-N 2.79Å; H293-G295 PolarHBondContact O-N 3.42Å; H293-G295 VanDerWaalsContact O-N 3.12Å; H293-S296 VanDerWaalsContact O-CB 3.23Å; H293-S296 WeakPolarHBondContact O-CB 3.33Å; H293-S296 PolarHBondContact O-N 2.94Å; H293-S296 PolarHBondContact O-OG 3.12Å
294G83.8Confident82.2Confident71 Ų7181.2 Ų81.273%0.73249%0.486SS*.THydrogen-bonded Turntrans59.228.1171.400000114.8
295G84Confident80.1Confident49 Ų4987.6 Ų87.651%0.50552%0.518SS..THydrogen-bonded Turntrans81.111.8-176.200000114.7F283 H293F283-G295 WeakPolarHBondContact CZ-O 3.33Å; H293-G295 PolarHBondContact O-N 3.42Å; H293-G295 VanDerWaalsContact O-N 3.12Å
296S86.1Confident78.2Confident62 Ų6288.5 Ų88.543%0.43452%0.52SS..  trans-70.6141.4170.9-53.80000110.8P286 H293P286-S296 VanDerWaalsContact CD-O 3.25Å; P286-S296 WeakPolarHBondContact CD-O 3.15Å; H293-S296 VanDerWaalsContact O-CB 3.23Å; H293-S296 WeakPolarHBondContact O-CB 3.33Å; H293-S296 PolarHBondContact O-N 2.94Å; H293-S296 PolarHBondContact O-OG 3.12Å
297P88.8Confident76Confident47 Ų4794 Ų9431%0.30555%0.553SS.*  trans-68.7158.7176.525.8-28.7000111.5F283 F299 V300F283-P297 HydrophobicContact CD2-CB 3.65Å; F283-P297 HydrophobicContact CD2-CG 4.34Å; F283-P297 HydrophobicContact CE2-CB 3.49Å; F283-P297 VanDerWaalsContact CE2-CB 3.49Å; F283-P297 HydrophobicContact CE2-CG 4.02Å; F283-P297 HydrophobicContact CZ-CB 4.22Å; P297-F299 PolarHBondContact O-N 2.85Å; P297-V300 HydrophobicContact CG-CG2 3.71Å
298S88.4Confident74Confident64 Ų6495.1 Ų95.145%0.44855%0.549SS..SBendtrans-63.8-28.8175-560000112.9V284 P286V284-S298 PolarHBondContact O-N 2.88Å; V284-S298 PolarHBondContact O-OG 3.48Å; P286-S298 WeakPolarHBondContact CD-OG 3.23Å
299F90.1Very high72.2Confident47 Ų4794.9 Ų94.921%0.20655%0.551CS.*  trans-113.1114.9-177.6-167.3-81.6000110.9Y248 W251 V277 Q278 P297Y248-F299 HydrophobicContact CE2-CD2 4.34Å; Y248-F299 HydrophobicContact CE2-CE2 4.13Å; W251-F299 AromaticContact CD2-CE2 3.81Å; W251-F299 HydrophobicContact CD2-CE2 3.81Å; W251-F299 AromaticContact CD2-CZ 3.74Å; W251-F299 HydrophobicContact CD2-CZ 3.74Å; W251-F299 AromaticContact CE2-CE2 3.59Å; W251-F299 AromaticContact CE2-CZ 3.43Å; W251-F299 VanDerWaalsContact CE2-CZ 3.43Å; W251-F299 AromaticContact CE3-CE2 3.82Å; W251-F299 HydrophobicContact CE3-CE2 3.82Å; W251-F299 HydrophobicContact CE3-CZ 4.22Å; W251-F299 HydrophobicContact CG-CZ 4.24Å; W251-F299 HydrophobicContact CH2-CD2 4.41Å; W251-F299 AromaticContact CH2-CE2 3.48Å; W251-F299 HydrophobicContact CH2-CE2 3.48Å; W251-F299 VanDerWaalsContact CH2-CE2 3.48Å; W251-F299 HydrophobicContact CH2-CZ 4.21Å; W251-F299 AromaticContact CZ2-CE2 3.42Å; W251-F299 HydrophobicContact CZ2-CE2 3.42Å; W251-F299 VanDerWaalsContact CZ2-CE2 3.42Å; W251-F299 AromaticContact CZ2-CZ 3.69Å; W251-F299 HydrophobicContact CZ2-CZ 3.69Å; W251-F299 AromaticContact CZ3-CE2 3.69Å; W251-F299 HydrophobicContact CZ3-CE2 3.69Å; W251-F299 HydrophobicContact CZ3-CZ 4.45Å; W251-F299 AromaticContact NE1-CZ 3.73Å; V277-F299 HydrophobicContact CB-CD1 4.29Å; V277-F299 HydrophobicContact CB-CE1 3.62Å; V277-F299 HydrophobicContact CB-CE2 4.41Å; V277-F299 HydrophobicContact CB-CZ 3.69Å; V277-F299 HydrophobicContact CG1-CD1 3.67Å; V277-F299 HydrophobicContact CG1-CD2 3.94Å; V277-F299 HydrophobicContact CG1-CE1 3.41Å; V277-F299 VanDerWaalsContact CG1-CE1 3.41Å; V277-F299 HydrophobicContact CG1-CE2 3.67Å; V277-F299 HydrophobicContact CG1-CG 3.93Å; V277-F299 HydrophobicContact CG1-CZ 3.42Å; V277-F299 VanDerWaalsContact CG1-CZ 3.42Å; V277-F299 HydrophobicContact CG2-CZ 4.25Å; Q278-F299 HydrophobicContact CG-CD1 3.7Å; Q278-F299 HydrophobicContact CG-CE1 3.95Å; P297-F299 PolarHBondContact O-N 2.85Å
300V88.2Confident70.3Confident81 Ų8189.6 Ų89.649%0.49153%0.526SS..  trans-137.5132.6178.4-176.30000110.6P297 T302P297-V300 HydrophobicContact CG-CG2 3.71Å; V300-T302 VanDerWaalsContact CG1-O 3.31Å; V300-T302 WeakPolarHBondContact CG1-O 3.31Å
301C84Confident68.6Low23 Ų2385.1 Ų85.116%0.15552%0.517CS..SBendtrans-87.1-34.1179.3-62.20000114.3C274 L275 Q278C274-C301 WeakPolarHBondContact CA-SG 3.46Å; C274-C301 HydrophobicContact CB-CB 3.92Å; C274-C301 WeakPolarHBondContact CB-SG 3.35Å; C274-C301 PolarHBondContact O-SG 3.31Å; C274-C301 WeakPolarHBondContact SG-CA 3.47Å; C274-C301 WeakPolarHBondContact SG-CB 3.47Å; C274-C301 CovalentContact SG-SG 2.02Å; C274-C301 PolarHBondContact SG-SG 2.99Å; L275-C301 HydrophobicContact CD2-CB 4.11Å; Q278-C301 VanDerWaalsContact CG-SG 3.6Å; Q278-C301 VanDerWaalsContact NE2-N 3.13Å; Q278-C301 PolarHBondContact OE1-SG 3.09Å; Q278-C301 VanDerWaalsContact OE1-SG 3.42Å
302T77.6Confident67.1Low97 Ų9782 Ų8260%0.59550%0.501SS*.  trans-121.9120.5-173.1-43.20000110V300V300-T302 VanDerWaalsContact CG1-O 3.31Å; V300-T302 WeakPolarHBondContact CG1-O 3.31Å
303G59.2Low65.8Low35 Ų3578.8 Ų78.836%0.36149%0.486SS..  trans-87.7149.8167.200000111.1L305G303-L305 PolarHBondContact O-N 2.85Å
304L43.9Very low64.8Low185 Ų18579.3 Ų79.397%0.96949%0.494SS*.THydrogen-bonded Turntrans-58-5.4-175.2-91159.3000116
305L45.4Very low63.9Low171 Ų17181.8 Ų81.890%0.89549%0.491SS*.THydrogen-bonded Turntrans-15430.5-178.9-140.5105.6000115.2G303G303-L305 PolarHBondContact O-N 2.85Å
306E46Very low63.7Low117 Ų11779.6 Ų79.655%0.54747%0.468SS..  trans-126.8110.6171.5-92.7171.315800109.5Y308 P309E306-Y308 PolarHBondContact O-N 3.01Å; E306-P309 HydrophobicContact CB-CB 4.27Å; E306-P309 HydrophobicContact CB-CG 3.64Å; E306-P309 HydrophobicContact CG-CG 4.46Å; E306-P309 WeakPolarHBondContact OE2-CB 3.26Å; E306-P309 VanDerWaalsContact OE2-CG 3.26Å; E306-P309 WeakPolarHBondContact OE2-CG 3.09Å
307V43.6Very low63.8Low140 Ų14080.7 Ų80.785%0.84847%0.466SS*.SBendtrans-62.886.9153.7177.80000105
308Y44.1Very low63.8Low144 Ų14478.4 Ų78.457%0.56545%0.452SS*.  trans68.195.4-179.9-60.5-90.8000116.5E306 S310 P314E306-Y308 PolarHBondContact O-N 3.01Å; Y308-S310 VanDerWaalsContact C-N 3.29Å; Y308-S310 PolarHBondContact O-N 2.71Å; Y308-P314 HydrophobicContact CD2-CB 4.38Å; Y308-P314 HydrophobicContact CE1-CB 4.15Å; Y308-P314 HydrophobicContact CE2-CB 4.04Å
309P43.9Very low63.7Low65 Ų6575.8 Ų75.842%0.42243%0.433SS..SBendtrans-74-12.3170-13.426.7000115.2E306E306-P309 HydrophobicContact CB-CB 4.27Å; E306-P309 HydrophobicContact CB-CG 3.64Å; E306-P309 HydrophobicContact CG-CG 4.46Å; E306-P309 WeakPolarHBondContact OE2-CB 3.26Å; E306-P309 VanDerWaalsContact OE2-CG 3.26Å; E306-P309 WeakPolarHBondContact OE2-CG 3.09Å
310S45.5Very low63.5Low38 Ų3874.5 Ų74.527%0.26643%0.428SS..SBendtrans-104.9119.6-175.547.30000106.4Y308 V312Y308-S310 VanDerWaalsContact C-N 3.29Å; Y308-S310 PolarHBondContact O-N 2.71Å; S310-V312 PolarHBondContact O-N 2.88Å
311G46.5Very low62.7Low65 Ų6571 Ų7167%0.6741%0.407SS*.  trans-54.98.1177.400000116.3Q258 D313Q258-G311 PolarHBondContact OE1-O 2.84Å; G311-D313 PolarHBondContact O-N 3.25Å
312V52.1Low62.1Low12 Ų1275.6 Ų75.67%0.07342%0.421CS..SBendtrans-54.8117.3163.2-176.40000109.1Q258 C270 S310 A316Q258-V312 HydrophobicContact CG-CG2 4.12Å; C270-V312 HydrophobicContact CB-CG1 4.32Å; S310-V312 PolarHBondContact O-N 2.88Å; V312-A316 HydrophobicContact CG1-CB 4.41Å
313D58.6Low61.2Low82 Ų8275 Ų7544%0.43941%0.408SS..  trans-50.5122.5167.9179.2-7.5000108.7G311 N315 A316G311-D313 PolarHBondContact O-N 3.25Å; D313-N315 PolarHBondContact O-N 3.42Å; D313-N315 WeakPolarHBondContact OD1-CB 3.46Å; D313-N315 PolarHBondContact OD1-N 3.49Å; D313-N315 PolarHBondContact OD1-ND2 2.75Å; D313-N315 VanDerWaalsContact OD1-ND2 3.09Å; D313-A316 HydrophobicContact CB-CB 4.26Å; D313-A316 VanDerWaalsContact O-CB 3.3Å; D313-A316 WeakPolarHBondContact O-CB 3.24Å; D313-A316 PolarHBondContact O-N 3.25Å
314P60.5Low60.5Low70 Ų7080.2 Ų80.246%0.45543%0.427SS..THydrogen-bonded Turntrans-59.8-14.1-179.924.5-35000113.2Y308Y308-P314 HydrophobicContact CD2-CB 4.38Å; Y308-P314 HydrophobicContact CE1-CB 4.15Å; Y308-P314 HydrophobicContact CE2-CB 4.04Å
315N65.4Low60.5Low124 Ų12473.8 Ų73.866%0.66340%0.398SS*.THydrogen-bonded Turntrans-1003.3176.2-48.7-63.9000113.6D313 E317D313-N315 PolarHBondContact O-N 3.42Å; D313-N315 WeakPolarHBondContact OD1-CB 3.46Å; D313-N315 PolarHBondContact OD1-N 3.49Å; D313-N315 PolarHBondContact OD1-ND2 2.75Å; D313-N315 VanDerWaalsContact OD1-ND2 3.09Å; N315-E317 PolarHBondContact O-N 2.79Å
316A79.8Confident60.2Low3 Ų375 Ų753%0.02540%0.396CS..  trans-66.3121.9177.500000110.5C270 V312 D313C270-A316 PolarHBondContact N-O 3.49Å; C270-A316 PolarHBondContact SG-O 2.85Å; V312-A316 HydrophobicContact CG1-CB 4.41Å; D313-A316 HydrophobicContact CB-CB 4.26Å; D313-A316 VanDerWaalsContact O-CB 3.3Å; D313-A316 WeakPolarHBondContact O-CB 3.24Å; D313-A316 PolarHBondContact O-N 3.25Å
317E87.7Confident59.7Low84 Ų8474.4 Ų74.439%0.39340%0.4SS..EExtended strand (participates in β ladder)trans-98.7127.9175.6-58.6-176149.800109.9T260 Q261 R267 C270 N315T260-E317 CarbonylContact C-O 3.55Å; T260-E317 WeakPolarHBondContact CA-O 3.27Å; T260-E317 HydrophobicContact CG2-CB 4.04Å; Q261-E317 PolarHBondContact N-O 3.22Å; R267-E317 HydrophobicContact CB-CB 4.22Å; R267-E317 WeakPolarHBondContact CD-OE2 3.45Å; R267-E317 IonicContact CZ-OE2 3.93Å; R267-E317 IonicContact NH1-OE2 2.65Å; R267-E317 PolarHBondContact NH1-OE2 2.81Å; C270-E317 VanDerWaalsContact SG-C 3.58Å; N315-E317 PolarHBondContact O-N 2.79Å
318C88.8Confident59.3Low0 Ų074.5 Ų74.50%040%0.396CS..EExtended strand (participates in β ladder)trans-109.1152.7174.5-75.40000109R267 I268 C270 Y273 D320R267-C318 CarbonylContact C-O 3.58Å; R267-C318 WeakPolarHBondContact CA-O 3.49Å; I268-C318 PolarHBondContact N-O 3.43Å; I268-C318 PolarHBondContact O-N 3.47Å; I268-C318 VanDerWaalsContact O-O 3.09Å; C270-C318 HydrophobicContact CB-CB 4.04Å; C270-C318 WeakPolarHBondContact CB-SG 3.45Å; C270-C318 WeakPolarHBondContact SG-CB 3.34Å; C270-C318 PolarHBondContact SG-N 3.37Å; C270-C318 CovalentContact SG-SG 2.03Å; C270-C318 PolarHBondContact SG-SG 3.34Å; Y273-C318 HydrophobicContact CD2-CB 4.33Å; Y273-C318 HydrophobicContact CE2-CB 3.75Å; C318-D320 PolarHBondContact O-N 3.41Å
319C86.9Confident59Low8 Ų875.1 Ų75.15%0.05441%0.409CS..EExtended strand (participates in β ladder)trans-63.1139.2173.8-58.50000110.1Q261 C264 N266 Y273 V321Q261-C319 VanDerWaalsContact CB-SG 3.51Å; Q261-C319 PolarHBondContact OE1-SG 3.2Å; C264-C319 HydrophobicContact CB-CB 3.55Å; C264-C319 WeakPolarHBondContact CB-SG 3.25Å; C264-C319 WeakPolarHBondContact SG-CA 2.97Å; C264-C319 WeakPolarHBondContact SG-CB 3.41Å; C264-C319 CovalentContact SG-SG 2.01Å; C264-C319 PolarHBondContact SG-SG 3.22Å; N266-C319 CarbonylContact O-C 3.59Å; N266-C319 WeakPolarHBondContact O-CA 3.42Å; Y273-C319 PolarHBondContact OH-O 3.33Å; C319-V321 HydrophobicContact CB-CG1 4.34Å; C319-V321 PolarHBondContact O-N 3.26Å
320D85.2Confident58.9Low21 Ų2183.1 Ų83.111%0.11243%0.431CS..  trans-73.892.9172.8-169.55.7000108.6N266 I268 C318 R322N266-D320 HydrophobicContact CB-CB 3.92Å; N266-D320 PolarHBondContact O-N 3.2Å; I268-D320 HydrophobicContact CD1-CB 4.4Å; I268-D320 HydrophobicContact CG1-CB 4.33Å; I268-D320 HydrophobicContact CG2-CB 3.91Å; C318-D320 PolarHBondContact O-N 3.41Å; D320-R322 PolarHBondContact O-N 3.01Å; D320-R322 WeakPolarHBondContact OD1-CB 3.36Å; D320-R322 WeakPolarHBondContact OD1-CG 3.27Å; D320-R322 PolarHBondContact OD1-N 3.47Å; D320-R322 VanDerWaalsContact OD1-N 3.14Å; D320-R322 IonicContact OD2-CZ 3.88Å; D320-R322 IonicContact OD2-NE 3.94Å
321V72.7Confident58.6Low7 Ų786.5 Ų86.54%0.04245%0.454CS..  trans-8110.9179.4-60.60000111.9H125 P250 Y273 C319 W323H125-V321 WeakPolarHBondContact NE2-CB 3.48Å; H125-V321 WeakPolarHBondContact NE2-CG1 3.44Å; P250-V321 HydrophobicContact CB-CG2 3.59Å; P250-V321 HydrophobicContact CG-CG2 3.51Å; Y273-V321 HydrophobicContact CE1-CG2 3.82Å; Y273-V321 WeakPolarHBondContact OH-CG2 3.39Å; Y273-V321 PolarHBondContact OH-N 3.17Å; C319-V321 HydrophobicContact CB-CG1 4.34Å; C319-V321 PolarHBondContact O-N 3.26Å; V321-W323 HydrophobicContact CB-CH2 3.82Å; V321-W323 HydrophobicContact CB-CZ2 4.01Å; V321-W323 HydrophobicContact CB-CZ3 4.48Å; V321-W323 HydrophobicContact CG2-CH2 3.12Å; V321-W323 HydrophobicContact CG2-CZ2 3.64Å; V321-W323 HydrophobicContact CG2-CZ3 3.95Å; V321-W323 WeakPolarHBondContact O-CH2 3.32Å; V321-W323 VanDerWaalsContact O-CZ2 3.31Å; V321-W323 WeakPolarHBondContact O-CZ2 3.3Å; V321-W323 WeakPolarHBondContact O-CZ3 3.32Å; V321-W323 PolarHBondContact O-N 3.43Å
322R70.3Confident58.4Low120 Ų12096 Ų9645%0.45347%0.47SS..  trans-50.7105.7174.8-96.7169.937.6-158.8-23.7111.6D320 D324D320-R322 PolarHBondContact O-N 3.01Å; D320-R322 WeakPolarHBondContact OD1-CB 3.36Å; D320-R322 WeakPolarHBondContact OD1-CG 3.27Å; D320-R322 PolarHBondContact OD1-N 3.47Å; D320-R322 VanDerWaalsContact OD1-N 3.14Å; D320-R322 IonicContact OD2-CZ 3.88Å; D320-R322 IonicContact OD2-NE 3.94Å; R322-D324 PolarHBondContact O-N 2.87Å
323W60.2Low57.7Low85 Ų8598.3 Ų98.332%0.32250%0.496SS..  trans-53.191.4173.7-52.3-102.6000110.7M246 P250 V321 S325M246-W323 HydrophobicContact CB-CD2 3.99Å; M246-W323 HydrophobicContact CB-CE3 4.17Å; M246-W323 HydrophobicContact CB-CZ2 4.33Å; M246-W323 HydrophobicContact CE-CD2 4.27Å; M246-W323 HydrophobicContact CE-CG 3.68Å; M246-W323 HydrophobicContact CG-CD2 4.44Å; M246-W323 WeakPolarHBondContact O-CH2 3.32Å; M246-W323 WeakPolarHBondContact O-CZ2 3.42Å; M246-W323 HydrophobicContact SD-CD2 4.39Å; M246-W323 HydrophobicContact SD-CG 4.39Å; M246-W323 PolarHBondContact SD-NE1 3.46Å; M246-W323 VanDerWaalsContact SD-NE1 3.36Å; P250-W323 HydrophobicContact CG-CH2 3.43Å; P250-W323 VanDerWaalsContact CG-CH2 3.43Å; P250-W323 HydrophobicContact CG-CZ2 3.88Å; V321-W323 HydrophobicContact CB-CH2 3.82Å; V321-W323 HydrophobicContact CB-CZ2 4.01Å; V321-W323 HydrophobicContact CB-CZ3 4.48Å; V321-W323 HydrophobicContact CG2-CH2 3.12Å; V321-W323 HydrophobicContact CG2-CZ2 3.64Å; V321-W323 HydrophobicContact CG2-CZ3 3.95Å; V321-W323 WeakPolarHBondContact O-CH2 3.32Å; V321-W323 VanDerWaalsContact O-CZ2 3.31Å; V321-W323 WeakPolarHBondContact O-CZ2 3.3Å; V321-W323 WeakPolarHBondContact O-CZ3 3.32Å; V321-W323 PolarHBondContact O-N 3.43Å; W323-S325 PolarHBondContact O-N 2.93Å; W323-S325 PolarHBondContact O-OG 2.95Å
324D44.2Very low56.8Low143 Ų143101.6 Ų101.677%0.76552%0.52SS*.  trans-64.482.8148.4-86.9-12.7000106.6R322 K326R322-D324 PolarHBondContact O-N 2.87Å; D324-K326 PolarHBondContact O-N 3.43Å
325S43Very low55.8Low50 Ų50105.5 Ų105.535%0.3554%0.536SS..  trans-61.291.5170-570000105.8W323 V327 H344W323-S325 PolarHBondContact O-N 2.93Å; W323-S325 PolarHBondContact O-OG 2.95Å; S325-V327 VanDerWaalsContact C-N 3.3Å; S325-V327 PolarHBondContact O-N 2.91Å; S325-H344 PolarHBondContact OG-CE1 3.49Å; S325-H344 VanDerWaalsContact OG-CE1 3.24Å; S325-H344 PolarHBondContact OG-NE2 2.81Å
326K39.4Very low54.6Low197 Ų197109.6 Ų109.686%0.85755%0.548SS*.  trans-56.8106.2163.7-100.8-174178174.20105.3D324 D328D324-K326 PolarHBondContact O-N 3.43Å; K326-D328 PolarHBondContact O-N 3.5Å
327V36.3Very low52.5Low104 Ų104120 Ų12063%0.6359%0.586SS**  trans-57.5104.8170176.60000105.9S325 N329S325-V327 VanDerWaalsContact C-N 3.3Å; S325-V327 PolarHBondContact O-N 2.91Å; V327-N329 VanDerWaalsContact C-N 3.31Å; V327-N329 PolarHBondContact O-N 3.34Å
328D33.7Very low50.2Low143 Ų143122.4 Ų122.477%0.76561%0.607SS**  trans-59.3101.6167.3-95.9-27.5000107.1K326 R330K326-D328 PolarHBondContact O-N 3.5Å; D328-R330 PolarHBondContact O-N 2.9Å
329N37.7Very low48Very low156 Ų156129.3 Ų129.383%0.83464%0.639SS**THydrogen-bonded Turntrans-69.532.7179.8-84.6-39.1000112.5V327V327-N329 VanDerWaalsContact C-N 3.31Å; V327-N329 PolarHBondContact O-N 3.34Å
330R42Very low46Very low234 Ų234133.2 Ų133.288%0.88366%0.664SS**THydrogen-bonded Turntrans-126.413.9-166.5-116.8-176.8-175.6-165.61.2118.5D328D328-R330 PolarHBondContact O-N 2.9Å
331S40.5Very low44.2Very low108 Ų108137.2 Ų137.276%0.75569%0.691SS**  trans-129.173.8172.640.50000113G333S331-G333 PolarHBondContact O-N 3.11Å
332R41.8Very low43.3Very low265 Ų265139.7 Ų139.7100%171%0.708SS**  trans-70.474.4146.6-93.4-174169.4-149.40108
333G37.2Very low42.3Very low61 Ų61141.9 Ų141.963%0.62972%0.723SS**  trans-116.1114.117300000109.3S331 L335S331-G333 PolarHBondContact O-N 3.11Å; G333-L335 PolarHBondContact O-N 3.33Å
334T40.3Very low41.6Very low151 Ų151142.7 Ų142.793%0.92673%0.73SS**  trans-69.491-180-380000109.9
335L39.8Very low41.4Very low151 Ų151145.8 Ų145.879%0.79173%0.732SS**  trans-126.9118.4165.2-154.583.3000108.9G333 R337G333-L335 PolarHBondContact O-N 3.33Å; L335-R337 PolarHBondContact O-N 3.43Å
336K39.6Very low41.1Very low210 Ų210148.3 Ų148.391%0.91375%0.745SS**  trans-53.9101.6168.5-102.4177.6170.2179.30108.2
337R35.9Very low40.9Very low222 Ų222141.7 Ų141.784%0.83872%0.724SS**  trans-101.2119.2171.2-146.3175.8-166.8138.9-0.7107.3L335 H339L335-R337 PolarHBondContact O-N 3.43Å; R337-H339 PolarHBondContact O-N 2.97Å
338T39.7Very low40.8Very low134 Ų134144.3 Ų144.382%0.82273%0.733SS**SBendtrans-75.26.3-176.6-37.10000113.2
339H40.8Very low40.5Very low146 Ų146141.9 Ų141.968%0.67673%0.727SS**SBendtrans-121.8133.7177.6-61.7-73.6000110.4R337R337-H339 PolarHBondContact O-N 2.97Å
340P45.2Very low40.4Very low89 Ų89140.7 Ų140.758%0.57873%0.731SS**  trans-59.5135.4175.2-14.526.7000109.4C342P340-C342 PolarHBondContact O-N 3.48Å
341P48.3Very low40Very low106 Ų106133.4 Ų133.469%0.68872%0.716SS**  trans-64.6135.3174.826.6-31.6000109.2Q343P341-Q343 VanDerWaalsContact C-N 3.34Å; P341-Q343 PolarHBondContact O-N 2.93Å
342C54.5Low39.7Very low58 Ų58132.6 Ų132.639%0.39272%0.716SS.*  trans-58.7101.5161.6-61.50000107.5C240 P340 H344C240-C342 HydrophobicContact CB-CB 3.8Å; C240-C342 WeakPolarHBondContact CB-SG 3.31Å; C240-C342 WeakPolarHBondContact SG-CB 3.3Å; C240-C342 CovalentContact SG-SG 2.03Å; C240-C342 PolarHBondContact SG-SG 3.3Å; P340-C342 PolarHBondContact O-N 3.48Å; C342-H344 PolarHBondContact O-N 2.95Å
343Q49.3Very low39.4Very low167 Ų167124 Ų12478%0.7870%0.702SS**  trans-76.6111.1167.9-72.3-175-22.800106P341 R345P341-Q343 VanDerWaalsContact C-N 3.34Å; P341-Q343 PolarHBondContact O-N 2.93Å; Q343-R345 PolarHBondContact O-N 2.99Å
344H44.3Very low39.3Very low101 Ų101125 Ų12547%0.46870%0.698SS.*  trans-45.7106.4171.5-72.3-71.7000108.8E243 S325 C342 T346E243-H344 IonicContact OE1-ND1 3.82Å; S325-H344 PolarHBondContact OG-CE1 3.49Å; S325-H344 VanDerWaalsContact OG-CE1 3.24Å; S325-H344 PolarHBondContact OG-NE2 2.81Å; C342-H344 PolarHBondContact O-N 2.95Å; H344-T346 PolarHBondContact O-N 3.5Å
345R39.4Very low39.7Very low209 Ų209129.6 Ų129.679%0.78970%0.698SS**  trans-80.678.5167.2-132.2-176.2-176.8-165.80.8104.5Q343 S347Q343-R345 PolarHBondContact O-N 2.99Å; R345-S347 PolarHBondContact O-N 3.16Å
346T37.7Very low40.1Very low103 Ų103126.7 Ų126.763%0.63268%0.683SS**  trans-47121.4167.147.70000106.7H344 L348H344-T346 PolarHBondContact O-N 3.5Å; T346-L348 PolarHBondContact O-N 3.32Å
347S35.5Very low40.4Very low58 Ų58121 Ų12141%0.40667%0.668SS.*  trans10.1107.8155.727.30000113.2R345 S349R345-S347 PolarHBondContact O-N 3.16Å; S347-S349 PolarHBondContact O-N 2.83Å
348L33.6Very low40.9Very low159 Ų159116.1 Ų116.183%0.83266%0.659SS**  trans-57.389.7153.5-83.6145.3000106.1T346 S350T346-L348 PolarHBondContact O-N 3.32Å; L348-S350 PolarHBondContact O-N 3.45Å
349S27.6Very low41.6Very low91 Ų91113.3 Ų113.364%0.63665%0.645SS**  trans-54.6113.4158.1-151.80000104.2S347 S351S347-S349 PolarHBondContact O-N 2.83Å; S349-S351 PolarHBondContact O-N 3.29Å
350S35.8Very low42.6Very low132 Ų132113.9 Ų113.992%0.92364%0.641SS**SBendtrans-67.170.6168.5-168.20000107.8L348L348-S350 PolarHBondContact O-N 3.45Å
351S33.2Very low43.3Very low81 Ų81114.6 Ų114.657%0.56664%0.64SS**  trans-135.367.516658.70000105.7S349 A353S349-S351 PolarHBondContact O-N 3.29Å; S351-A353 PolarHBondContact O-N 3.36Å
352A34.6Very low43.8Very low91 Ų91116.2 Ų116.275%0.75264%0.636SS**  trans-62.371.8146.100000107.5C354A352-C354 PolarHBondContact O-N 2.86Å
353A35Very low44.4Very low84 Ų84119.2 Ų119.269%0.69465%0.647SS**  trans-68.276.3153.600000105.4S351 R355S351-A353 PolarHBondContact O-N 3.36Å; A353-R355 VanDerWaalsContact C-N 3.31Å; A353-R355 PolarHBondContact O-N 3Å
354C35.5Very low45.1Very low81 Ų81114.8 Ų114.855%0.54763%0.634SS.*  trans-53.7100.7166.1-79.30000106.5A352 L356 C357A352-C354 PolarHBondContact O-N 2.86Å; C354-L356 PolarHBondContact O-N 2.95Å; C354-C357 PolarHBondContact O-SG 3.39Å
355R48.4Very low46.2Very low249 Ų249114.5 Ų114.594%0.9464%0.635SS**THydrogen-bonded Turntrans-71.148.5162.8-67.3-168.5-177.1-144.33.2110.2A353A353-R355 VanDerWaalsContact C-N 3.31Å; A353-R355 PolarHBondContact O-N 3Å
356L48.3Very low47.7Very low89 Ų89109.5 Ų109.547%0.46662%0.624SS.*THydrogen-bonded Turntrans-14323.1177.5-129.293.2000111.7C354 N358 R360C354-L356 PolarHBondContact O-N 2.95Å; L356-N358 VanDerWaalsContact C-N 3.29Å; L356-N358 PolarHBondContact O-N 3.36Å; L356-R360 HydrophobicContact CD2-CG 4.21Å
357C45.3Very low49.6Very low90 Ų90107.8 Ų107.861%0.60861%0.613SS**THydrogen-bonded Turntrans-81.63.8-175.2-67.60000115.1C354 L361C354-C357 PolarHBondContact O-SG 3.39Å; C357-L361 WeakPolarHBondContact O-CB 3.31Å
358N47.5Very low51.3Low121 Ų121109.4 Ų109.465%0.64762%0.617SS**THydrogen-bonded Turntrans-107.9-28.5-178.3-134.6-13.7000114L356 K362L356-N358 VanDerWaalsContact C-N 3.29Å; L356-N358 PolarHBondContact O-N 3.36Å; N358-K362 WeakPolarHBondContact O-CD 3.42Å; N358-K362 VanDerWaalsContact O-CG 3.27Å; N358-K362 WeakPolarHBondContact O-CG 3.25Å
359S54.9Low53.2Low74 Ų74106.1 Ų106.152%0.51760%0.603SS.*Hα-helixtrans-85.9-38.4175.263.80000112.2K362 L363S359-K362 PolarHBondContact O-N 2.88Å; S359-L363 PolarHBondContact O-N 3.44Å
360R60.7Low55.3Low158 Ų158106.3 Ų106.360%0.59660%0.596SS**Hα-helixtrans-71.2-35.7-179.5-63.6-162.3176.8-147.2-0.6112.7L356 L363 C364L356-R360 HydrophobicContact CD2-CG 4.21Å; R360-L363 PolarHBondContact O-N 2.88Å; R360-C364 WeakPolarHBondContact O-CB 3.48Å; R360-C364 PolarHBondContact O-N 2.92Å; R360-C364 PolarHBondContact O-SG 3.5Å
361L60.9Low57.3Low105 Ų105105.8 Ų105.855%0.5558%0.582SS.*Hα-helixtrans-70.9-36.1176.4-158.5137000111.7C357 L365C357-L361 WeakPolarHBondContact O-CB 3.31Å; L361-L365 HydrophobicContact CD2-CD1 3.66Å; L361-L365 HydrophobicContact CD2-CG 4.26Å; L361-L365 WeakPolarHBondContact O-CB 3.37Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 2.98Å
362K57.8Low58.9Low139 Ų139108 Ų10860%0.60458%0.584SS**Hα-helixtrans-66.3-41.3172.1-75.7-178.8179.7-176.90112.4N358 S359 L365 L366N358-K362 WeakPolarHBondContact O-CD 3.42Å; N358-K362 VanDerWaalsContact O-CG 3.27Å; N358-K362 WeakPolarHBondContact O-CG 3.25Å; S359-K362 PolarHBondContact O-N 2.88Å; K362-L365 PolarHBondContact O-N 3.3Å; K362-L366 VanDerWaalsContact O-CB 3.32Å; K362-L366 WeakPolarHBondContact O-CB 3.29Å; K362-L366 PolarHBondContact O-N 2.95Å
363L68.1Low60.6Low121 Ų121106.9 Ų106.963%0.63457%0.567SS**Hα-helixtrans-64.6-45.1175.8-163.284.4000111.1S359 R360 L366 V367S359-L363 PolarHBondContact O-N 3.44Å; R360-L363 PolarHBondContact O-N 2.88Å; L363-L366 PolarHBondContact O-N 2.87Å; L363-V367 WeakPolarHBondContact O-CG2 3.33Å; L363-V367 PolarHBondContact O-N 3.24Å
364C63.1Low62.4Low74 Ų74107.2 Ų107.250%0.556%0.561SS.*Hα-helixtrans-62.5-42.2176.2-76.40000112.7R360 V367 L368R360-C364 WeakPolarHBondContact O-CB 3.48Å; R360-C364 PolarHBondContact O-N 2.92Å; R360-C364 PolarHBondContact O-SG 3.5Å; C364-V367 PolarHBondContact O-N 3.39Å; C364-L368 WeakPolarHBondContact O-CB 3.47Å; C364-L368 WeakPolarHBondContact O-CG 3.45Å; C364-L368 PolarHBondContact O-N 3.34Å
365L67.5Low63.9Low95 Ų95105.9 Ų105.950%0.49756%0.555SS.*Hα-helixtrans-65.1-39.4175.7-74.6173.3000111.9L361 K362 L368 V369L361-L365 HydrophobicContact CD2-CD1 3.66Å; L361-L365 HydrophobicContact CD2-CG 4.26Å; L361-L365 WeakPolarHBondContact O-CB 3.37Å; L361-L365 VanDerWaalsContact O-CG 3.3Å; L361-L365 WeakPolarHBondContact O-CG 3.5Å; L361-L365 PolarHBondContact O-N 2.98Å; K362-L365 PolarHBondContact O-N 3.3Å; L365-L368 PolarHBondContact O-N 2.84Å; L365-V369 VanDerWaalsContact O-CG2 3.29Å; L365-V369 WeakPolarHBondContact O-CG2 3.41Å; L365-V369 PolarHBondContact O-N 3.26Å
366L70Confident64.6Low105 Ų10597.6 Ų97.655%0.5554%0.535SS..Hα-helixtrans-65.6-42.5178.2-154.1165.6000110.7K362 L363 L368 V369 L370K362-L366 VanDerWaalsContact O-CB 3.32Å; K362-L366 WeakPolarHBondContact O-CB 3.29Å; K362-L366 PolarHBondContact O-N 2.95Å; L363-L366 PolarHBondContact O-N 2.87Å; L366-L368 PolarHBondContact O-N 3.46Å; L366-V369 PolarHBondContact O-N 3.45Å; L366-L370 HydrophobicContact CD2-CD1 3.49Å; L366-L370 VanDerWaalsContact CD2-CD1 3.49Å; L366-L370 HydrophobicContact CD2-CG 3.97Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.36Å; L366-L370 PolarHBondContact O-N 3.45Å
367V78.6Confident65.1Low67 Ų6798.3 Ų98.341%0.40654%0.539SS..Hα-helixtrans-62.8-41.6173.9173.40000111.4L363 C364 L370 L371L363-V367 WeakPolarHBondContact O-CG2 3.33Å; L363-V367 PolarHBondContact O-N 3.24Å; C364-V367 PolarHBondContact O-N 3.39Å; V367-L370 PolarHBondContact O-N 3.34Å; V367-L371 WeakPolarHBondContact O-CB 3.31Å; V367-L371 PolarHBondContact O-N 3.3Å
368L71.6Confident65.8Low92 Ų9297.9 Ų97.948%0.48253%0.534SS..Hα-helixtrans-65.2-41.1176.5-75.9169.2000112.4C364 L365 L366 L371 H372C364-L368 WeakPolarHBondContact O-CB 3.47Å; C364-L368 WeakPolarHBondContact O-CG 3.45Å; C364-L368 PolarHBondContact O-N 3.34Å; L365-L368 PolarHBondContact O-N 2.84Å; L366-L368 PolarHBondContact O-N 3.46Å; L368-L371 PolarHBondContact O-N 3.28Å; L368-H372 WeakPolarHBondContact O-CB 3.35Å; L368-H372 PolarHBondContact O-CD2 2.84Å; L368-H372 VanDerWaalsContact O-CD2 3.28Å; L368-H372 PolarHBondContact O-N 2.75Å
369V72.1Confident66.1Low89 Ų8995.1 Ų95.154%0.53953%0.528SS..Hα-helixtrans-63.6-44.7175.3170.70000110.4L365 L366 L371 H372 T373L365-V369 VanDerWaalsContact O-CG2 3.29Å; L365-V369 WeakPolarHBondContact O-CG2 3.41Å; L365-V369 PolarHBondContact O-N 3.26Å; L366-V369 PolarHBondContact O-N 3.45Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 3.45Å; V369-H372 PolarHBondContact O-N 2.88Å; V369-T373 HydrophobicContact CG1-CG2 4.38Å; V369-T373 VanDerWaalsContact O-CG2 3.31Å; V369-T373 WeakPolarHBondContact O-CG2 3.36Å; V369-T373 PolarHBondContact O-N 3.44Å; V369-T373 PolarHBondContact O-OG1 2.93Å
370L72.9Confident66Low96 Ų9694.7 Ų94.750%0.50353%0.525SS..Hα-helixtrans-61.2-43.3175.7-73.5171000111.4L366 V367 H372 T373 V374L366-L370 HydrophobicContact CD2-CD1 3.49Å; L366-L370 VanDerWaalsContact CD2-CD1 3.49Å; L366-L370 HydrophobicContact CD2-CG 3.97Å; L366-L370 WeakPolarHBondContact O-CB 3.3Å; L366-L370 WeakPolarHBondContact O-CG 3.36Å; L366-L370 PolarHBondContact O-N 3.45Å; V367-L370 PolarHBondContact O-N 3.34Å; L370-H372 VanDerWaalsContact C-N 3.35Å; L370-H372 PolarHBondContact O-N 2.97Å; L370-T373 WeakPolarHBondContact CA-OG1 3.44Å; L370-T373 PolarHBondContact O-N 2.97Å; L370-T373 PolarHBondContact O-OG1 3.47Å; L370-V374 WeakPolarHBondContact O-CG2 3.33Å; L370-V374 PolarHBondContact O-N 3.26Å
371L77Confident65.5Low120 Ų12093.8 Ų93.863%0.62853%0.527SS*.Hα-helixtrans-61.9-43.1176.8-143.693.7000111.8V367 L368 V369 V374 A375V367-L371 WeakPolarHBondContact O-CB 3.31Å; V367-L371 PolarHBondContact O-N 3.3Å; L368-L371 PolarHBondContact O-N 3.28Å; V369-L371 VanDerWaalsContact C-N 3.33Å; V369-L371 PolarHBondContact O-N 3.45Å; L371-V374 PolarHBondContact O-N 3.3Å; L371-A375 WeakPolarHBondContact O-CB 3.34Å; L371-A375 PolarHBondContact O-N 3.36Å
372H66.9Low65Low129 Ų12996 Ų9660%0.59754%0.539SS*.Hα-helixtrans-63.7-42.5175.2-89.9-70.4000112L368 V369 L370 V374 A375 S376L368-H372 WeakPolarHBondContact O-CB 3.35Å; L368-H372 PolarHBondContact O-CD2 2.84Å; L368-H372 VanDerWaalsContact O-CD2 3.28Å; L368-H372 PolarHBondContact O-N 2.75Å; V369-H372 PolarHBondContact O-N 2.88Å; L370-H372 VanDerWaalsContact C-N 3.35Å; L370-H372 PolarHBondContact O-N 2.97Å; H372-V374 PolarHBondContact O-N 2.87Å; H372-A375 PolarHBondContact O-N 3.38Å; H372-S376 WeakPolarHBondContact O-CB 3.49Å; H372-S376 PolarHBondContact O-N 2.9Å; H372-S376 PolarHBondContact O-OG 3.45Å; H372-S376 VanDerWaalsContact O-OG 3.13Å
373T70.7Confident64.4Low66 Ų6693.2 Ų93.241%0.40554%0.542SS..Hα-helixtrans-64.2-40.2177.757.20000112.2V369 L370 S376 L377V369-T373 HydrophobicContact CG1-CG2 4.38Å; V369-T373 VanDerWaalsContact O-CG2 3.31Å; V369-T373 WeakPolarHBondContact O-CG2 3.36Å; V369-T373 PolarHBondContact O-N 3.44Å; V369-T373 PolarHBondContact O-OG1 2.93Å; L370-T373 WeakPolarHBondContact CA-OG1 3.44Å; L370-T373 PolarHBondContact O-N 2.97Å; L370-T373 PolarHBondContact O-OG1 3.47Å; T373-S376 PolarHBondContact O-N 3.48Å; T373-L377 VanDerWaalsContact O-CD1 3.25Å; T373-L377 WeakPolarHBondContact O-CD1 3.25Å; T373-L377 PolarHBondContact O-N 2.94Å
374V71.8Confident63.3Low92 Ų9293.3 Ų93.356%0.55855%0.548SS*.Hα-helixtrans-66.9-43.9175.8174.50000110.5L370 L371 H372 S376 L377 T378L370-V374 WeakPolarHBondContact O-CG2 3.33Å; L370-V374 PolarHBondContact O-N 3.26Å; L371-V374 PolarHBondContact O-N 3.3Å; H372-V374 PolarHBondContact O-N 2.87Å; V374-S376 PolarHBondContact O-N 3.33Å; V374-L377 PolarHBondContact O-N 3.13Å; V374-T378 HydrophobicContact CG1-CG2 4.44Å; V374-T378 WeakPolarHBondContact O-CB 3.4Å; V374-T378 WeakPolarHBondContact O-CG2 3.33Å; V374-T378 PolarHBondContact O-N 2.81Å; V374-T378 PolarHBondContact O-OG1 2.93Å
375A67.4Low62.2Low52 Ų5292.7 Ų92.743%0.4355%0.554SS.*Hα-helixtrans-61-43.1176.900000112.1L371 H372 T378 A379L371-A375 WeakPolarHBondContact O-CB 3.34Å; L371-A375 PolarHBondContact O-N 3.36Å; H372-A375 PolarHBondContact O-N 3.38Å; A375-T378 WeakPolarHBondContact CA-OG1 3.22Å; A375-T378 PolarHBondContact O-N 3.39Å; A375-T378 PolarHBondContact O-OG1 3.34Å; A375-A379 WeakPolarHBondContact O-CB 3.42Å; A375-A379 PolarHBondContact O-N 3.4Å
376S63.8Low60.6Low75 Ų7597.1 Ų97.152%0.52458%0.577SS.*Hα-helixtrans-68.1-39.9177.5-66.60000113.1H372 T373 V374 A379 S380H372-S376 WeakPolarHBondContact O-CB 3.49Å; H372-S376 PolarHBondContact O-N 2.9Å; H372-S376 PolarHBondContact O-OG 3.45Å; H372-S376 VanDerWaalsContact O-OG 3.13Å; T373-S376 PolarHBondContact O-N 3.48Å; V374-S376 PolarHBondContact O-N 3.33Å; S376-A379 PolarHBondContact O-N 2.95Å; S376-S380 PolarHBondContact O-N 3.3Å; S376-S380 PolarHBondContact O-OG 2.98Å
377L59.1Low58.6Low104 Ų10495.6 Ų95.655%0.54559%0.587SS.*Hα-helixtrans-66.4-38.7173.5-96.582.5000111.5T373 V374 A379 S380 H381T373-L377 VanDerWaalsContact O-CD1 3.25Å; T373-L377 WeakPolarHBondContact O-CD1 3.25Å; T373-L377 PolarHBondContact O-N 2.94Å; V374-L377 PolarHBondContact O-N 3.13Å; L377-A379 VanDerWaalsContact C-N 3.29Å; L377-A379 PolarHBondContact O-N 3.44Å; L377-S380 WeakPolarHBondContact CA-OG 3.47Å; L377-S380 PolarHBondContact O-N 3.03Å; L377-S380 PolarHBondContact O-OG 3.4Å; L377-H381 PolarHBondContact O-CD2 3.49Å; L377-H381 PolarHBondContact O-N 2.65Å
378T59.8Low56.6Low82 Ų82100 Ų10050%0.50361%0.608SS.*Hα-helixtrans-68.3-29.1175.453.30000112.7V374 A375V374-T378 HydrophobicContact CG1-CG2 4.44Å; V374-T378 WeakPolarHBondContact O-CB 3.4Å; V374-T378 WeakPolarHBondContact O-CG2 3.33Å; V374-T378 PolarHBondContact O-N 2.81Å; V374-T378 PolarHBondContact O-OG1 2.93Å; A375-T378 WeakPolarHBondContact CA-OG1 3.22Å; A375-T378 PolarHBondContact O-N 3.39Å; A375-T378 PolarHBondContact O-OG1 3.34Å
379A54.1Low55.1Low63 Ų63100.8 Ų100.852%0.52162%0.618SS.*Hα-helixtrans-74.5-36.8173.100000112.3A375 S376 L377 N382A375-A379 WeakPolarHBondContact O-CB 3.42Å; A375-A379 PolarHBondContact O-N 3.4Å; S376-A379 PolarHBondContact O-N 2.95Å; L377-A379 VanDerWaalsContact C-N 3.29Å; L377-A379 PolarHBondContact O-N 3.44Å; A379-N382 PolarHBondContact O-N 3.38Å
380S52.6Low53.2Low65 Ų65101.1 Ų101.146%0.45562%0.621SS.*Hα-helixtrans-72.8-30.4177.163.50000113.3S376 L377 N382 A383S376-S380 PolarHBondContact O-N 3.3Å; S376-S380 PolarHBondContact O-OG 2.98Å; L377-S380 WeakPolarHBondContact CA-OG 3.47Å; L377-S380 PolarHBondContact O-N 3.03Å; L377-S380 PolarHBondContact O-OG 3.4Å; S380-N382 VanDerWaalsContact C-N 3.29Å; S380-N382 PolarHBondContact O-N 3.37Å; S380-A383 PolarHBondContact O-N 3.14Å
381H50.6Low51.3Low139 Ų139106.3 Ų106.364%0.64464%0.64SS**Hα-helixtrans-72-20.7173.7-81.9-68.2000113.6L377L377-H381 PolarHBondContact O-CD2 3.49Å; L377-H381 PolarHBondContact O-N 2.65Å
382N49.8Very low49Very low150 Ų150106.2 Ų106.280%0.80264%0.644SS**THydrogen-bonded Turntrans-87.6-7.4174-82.4-7.6000113.7A379 S380A379-N382 PolarHBondContact O-N 3.38Å; S380-N382 VanDerWaalsContact C-N 3.29Å; S380-N382 PolarHBondContact O-N 3.37Å
383A44.7Very low47.7Very low81 Ų81105.1 Ų105.167%0.66965%0.648SS**SBendtrans-101.34.8-178.300000114.4S380S380-A383 PolarHBondContact O-N 3.14Å
384T45.3Very low45.8Very low123 Ų123110.1 Ų110.176%0.75567%0.672SS**  trans-11063.4173.729.10000110.9
385G40.8Very low43.8Very low61 Ų61114.2 Ų114.263%0.62969%0.685SS**  trans-135.191166.700000109.9
386L34Very low41.9Very low188 Ų188121 Ų12198%0.98471%0.707SS**  trans151.2124.6141.3-99.1102.9000113.3
387G28Very low40.4Very low73 Ų73122.7 Ų122.775%0.75372%0.72SS**  trans118.178.8155.500000116.4
388L35.2Very low39.7Very low160 Ų160123.6 Ų123.684%0.83873%0.732SS**  53.7141.298.8-113.779.6000115.9
389P40.3Very low38.1Very low109 Ų109124 Ų12471%0.70874%0.743SS**  cis-142.4164.649.736.5-14.7000118.4
390T33.2Very low37Very low95 Ų95128.8 Ų128.858%0.58376%0.76SS**  trans-34.3135.2160.7-41.90000117.4T392T390-T392 HydrophobicContact CG2-CG2 3.72Å
391F31.6Very low36.3Very low206 Ų206134.8 Ų134.890%0.90478%0.781SS**  trans-134.3130.7141-77.4-76.9000109.2
392T28.8Very low35.3Very low117 Ų117140.8 Ų140.872%0.71881%0.809SS**  trans-95.1-162.7-174.549.80000111T390T390-T392 HydrophobicContact CG2-CG2 3.72Å
393P41Very low34.6Very low106 Ų106140.3 Ų140.369%0.68881%0.809SS**  -120172.7-99.835.2-14.8000113.2
394L30.6Very low34.1Very low171 Ų171143.4 Ų143.490%0.89582%0.817SS**  trans-16991.9157.1-133.590.8000106.8
395E29.2Very low33.5Very low179 Ų179144.6 Ų144.684%0.83682%0.82SS**  63.211281.9-161.4155.3147.300114.3
396E26.9Very low33Very low193 Ų193149.5 Ų149.590%0.90283%0.831SS**  -167.9128.9115.4-136.7162.9169.800111.8
397S33.3Very low33Very low112 Ų112147.1 Ų147.178%0.78382%0.822SS**  trans-88.6-179.7170.5-110.60000109.7
398P42.9Very low33.3Very low123 Ų123152 Ų15280%0.79983%0.827SS**  cis-144.8175.727.539.9-18.5000116.7
399A27Very low33.2Very low89 Ų89151.4 Ų151.474%0.73683%0.826SS**  163.8105.1126.900000111.8
400N32.1Very low32.6Very low165 Ų165154.7 Ų154.788%0.88284%0.835SS**  -179.7130.1117.5-105.5-7.3000111.1
401E36.2Very low32.6Very low190 Ų190159.7 Ų159.789%0.88886%0.856SS**  trans-56.6143.6162.5-51.5-176.6150.700108.7
402E31.3Very low32.7Very low265 Ų265155.5 Ų155.5100%1.23885%0.851SS**  -168.9065.3-163.8175.4153.300110

Retrieved 402 of 402 residues in 283.9 ms (Link to these results)