A0A093K258_STRCA Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A093K258, Species STRCA (Struthio camelus australis), Gene n/a, Length 194 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
1M50.1Low50.1Low235 Ų235155.1 Ų155.1100%1.15874%0.739SS**  0146.70-63.2175.3-170.700107.6
2H51.1Low50.3Low168 Ų168151.7 Ų151.778%0.77873%0.726SS**  trans90.454.8-167.8-57.6-76.7000117
3K48.8Very low50.4Low201 Ų201148.8 Ų148.887%0.87472%0.717SS**  trans-96.219.1163.2-92.6-166.8172.6-173.20114.1
4W47Very low50.7Low222 Ų222146.6 Ų146.684%0.84171%0.71SS**SBendtrans-130.722.4-165.4-76.391.3000117
5I52.6Low51.1Low115 Ų115146.9 Ų146.959%0.5970%0.702SS**SBendtrans-118-3.5-176.1-68.3170.2000114.5
6L48.3Very low51.3Low152 Ų152147.5 Ų147.580%0.79670%0.695SS**SBendtrans-100.31.6-175.7-99.7113.2000116.6
7T52.7Low51.7Low103 Ų103142.2 Ų142.263%0.63268%0.678SS**SBendtrans-95.9-1.5-178.146.50000115.2
8W49Very low52.1Low205 Ų205142.6 Ų142.678%0.77767%0.672SS**SBendtrans-118.83-174-75.786.6000116.1
9I51.5Low52.5Low103 Ų103140.4 Ų140.453%0.52866%0.66SS.*SBendtrans-106.1-26.4-177.4-59.2174.8000112.7P11 L13I9-P11 VanDerWaalsContact C-CD 3.47Å; I9-L13 HydrophobicContact CG2-CD1 4.41Å
10L47.5Very low52.8Low123 Ų123140.6 Ų140.664%0.64466%0.656SS**Hα-helixtrans-67.1-30.8178-103.387.7000116.1I12L10-I12 VanDerWaalsContact C-N 3.35Å; L10-I12 PolarHBondContact O-N 3.26Å
11P52.6Low53Low79 Ų79139.2 Ų139.251%0.51365%0.652SS.*Hα-helixtrans-74.8-25.3-178.7-13.328000113.3I9 Y15I9-P11 VanDerWaalsContact C-CD 3.47Å; P11-Y15 WeakPolarHBondContact O-CB 3.45Å; P11-Y15 PolarHBondContact O-N 3.09Å
12I52.6Low53.5Low114 Ų114132.1 Ų132.159%0.58562%0.618SS**Hα-helixtrans-82.6-34-170.7-58.1171.6000111.1L10 R16L10-I12 VanDerWaalsContact C-N 3.35Å; L10-I12 PolarHBondContact O-N 3.26Å; I12-R16 WeakPolarHBondContact O-CB 3.32Å; I12-R16 PolarHBondContact O-N 3.19Å
13L51.7Low53.7Low115 Ų115131 Ų13160%0.60261%0.611SS**Hα-helixtrans-74.3-34177.9-69.3172.1000112.6I9 S17I9-L13 HydrophobicContact CG2-CD1 4.41Å; L13-S17 PolarHBondContact O-N 3.17Å; L13-S17 PolarHBondContact O-OG 3.48Å
14L54.1Low54Low118 Ų118126.6 Ų126.662%0.61860%0.597SS**Hα-helixtrans-74.1-34.4176-67.1173.2000112.3S17 Y18L14-S17 PolarHBondContact O-OG 3.44Å; L14-Y18 VanDerWaalsContact O-CB 3.32Å; L14-Y18 WeakPolarHBondContact O-CB 3.43Å; L14-Y18 PolarHBondContact O-N 3.4Å; L14-Y18 VanDerWaalsContact O-N 3.09Å
15Y57Low54.4Low151 Ų151121.9 Ų121.959%0.59259%0.586SS**Hα-helixtrans-69.5-36.8174.9-167.5-101.2000112.1P11 Y18 F19P11-Y15 WeakPolarHBondContact O-CB 3.45Å; P11-Y15 PolarHBondContact O-N 3.09Å; Y15-Y18 PolarHBondContact O-N 3.14Å; Y15-F19 HydrophobicContact CD1-CD2 4.19Å; Y15-F19 AromaticContact CE1-CD2 3.62Å; Y15-F19 HydrophobicContact CE1-CD2 3.62Å; Y15-F19 AromaticContact CE1-CE2 3.72Å; Y15-F19 HydrophobicContact CE1-CE2 3.72Å; Y15-F19 AromaticContact CZ-CD2 3.84Å; Y15-F19 AromaticContact CZ-CE2 3.65Å; Y15-F19 PolarHBondContact O-N 2.99Å; Y15-F19 WeakPolarHBondContact OH-CE2 3.39Å
16R54.3Low54.3Low156 Ų156118.2 Ų118.259%0.58958%0.576SS**Hα-helixtrans-69.8-40.1178.6-160.2174.6178.8-172.9-2111.9I12 F19 Y20I12-R16 WeakPolarHBondContact O-CB 3.32Å; I12-R16 PolarHBondContact O-N 3.19Å; R16-F19 PolarHBondContact O-N 3.31Å; R16-Y20 HydrophobicContact CG-CD2 4.22Å; R16-Y20 HydrophobicContact CG-CE2 3.91Å; R16-Y20 WeakPolarHBondContact O-CD2 3.42Å; R16-Y20 PolarHBondContact O-N 3.42Å; R16-Y20 VanDerWaalsContact O-N 3.15Å
17S57.6Low54.5Low58 Ų58115.2 Ų115.241%0.40656%0.564SS.*Hα-helixtrans-68.1-3617463.70000112.5L13 L14 Y20 L21L13-S17 PolarHBondContact O-N 3.17Å; L13-S17 PolarHBondContact O-OG 3.48Å; L14-S17 PolarHBondContact O-OG 3.44Å; S17-Y20 PolarHBondContact O-N 3.04Å; S17-L21 PolarHBondContact O-N 2.97Å
18Y60.3Low54.2Low148 Ų148115.4 Ų115.458%0.5856%0.56SS**Hα-helixtrans-64.5-40.3173.9-168.1-107000112.2L14 Y15 L21 I22L14-Y18 VanDerWaalsContact O-CB 3.32Å; L14-Y18 WeakPolarHBondContact O-CB 3.43Å; L14-Y18 PolarHBondContact O-N 3.4Å; L14-Y18 VanDerWaalsContact O-N 3.09Å; Y15-Y18 PolarHBondContact O-N 3.14Å; Y18-L21 PolarHBondContact O-N 3.42Å; Y18-I22 HydrophobicContact CD1-CD1 3.65Å; Y18-I22 HydrophobicContact CD1-CG1 4.47Å; Y18-I22 HydrophobicContact CE1-CD1 3.36Å; Y18-I22 HydrophobicContact CE1-CG1 4.26Å; Y18-I22 WeakPolarHBondContact O-CG1 3.13Å; Y18-I22 PolarHBondContact O-N 3.15Å
19F59Low54.3Low101 Ų101110.5 Ų110.544%0.44356%0.557SS.*Hα-helixtrans-65.8-39.1175.7-119.6-93.5000113.1Y15 R16 F23Y15-F19 HydrophobicContact CD1-CD2 4.19Å; Y15-F19 AromaticContact CE1-CD2 3.62Å; Y15-F19 HydrophobicContact CE1-CD2 3.62Å; Y15-F19 AromaticContact CE1-CE2 3.72Å; Y15-F19 HydrophobicContact CE1-CE2 3.72Å; Y15-F19 AromaticContact CZ-CD2 3.84Å; Y15-F19 AromaticContact CZ-CE2 3.65Å; Y15-F19 PolarHBondContact O-N 2.99Å; Y15-F19 WeakPolarHBondContact OH-CE2 3.39Å; R16-F19 PolarHBondContact O-N 3.31Å; F19-F23 PolarHBondContact O-N 3Å; F19-F23 VanDerWaalsContact O-N 3.14Å
20Y57.6Low54.3Low145 Ų145113.2 Ų113.257%0.56957%0.572SS**Hα-helixtrans-68.6-34.7174.1-80-70.3000112.5R16 S17 F23 L24R16-Y20 HydrophobicContact CG-CD2 4.22Å; R16-Y20 HydrophobicContact CG-CE2 3.91Å; R16-Y20 WeakPolarHBondContact O-CD2 3.42Å; R16-Y20 PolarHBondContact O-N 3.42Å; R16-Y20 VanDerWaalsContact O-N 3.15Å; S17-Y20 PolarHBondContact O-N 3.04Å; Y20-F23 PolarHBondContact O-N 3.37Å; Y20-L24 PolarHBondContact O-N 3.03Å
21L58.7Low54.5Low111 Ų111111.1 Ų111.158%0.58157%0.573SS**Hα-helixtrans-67.5-40174.2-84.7161.4000112.7S17 Y18 F23 L24 M25S17-L21 PolarHBondContact O-N 2.97Å; Y18-L21 PolarHBondContact O-N 3.42Å; L21-F23 VanDerWaalsContact C-N 3.35Å; L21-L24 PolarHBondContact O-N 3.37Å; L21-M25 WeakPolarHBondContact O-CG 3.33Å; L21-M25 PolarHBondContact O-N 3.23Å
22I59.5Low54.2Low87 Ų87111.6 Ų111.645%0.44658%0.577SS.*Hα-helixtrans-62.9-42.3173.9-69.6168.5000110.8Y18 M25 G26Y18-I22 HydrophobicContact CD1-CD1 3.65Å; Y18-I22 HydrophobicContact CD1-CG1 4.47Å; Y18-I22 HydrophobicContact CE1-CD1 3.36Å; Y18-I22 HydrophobicContact CE1-CG1 4.26Å; Y18-I22 WeakPolarHBondContact O-CG1 3.13Å; Y18-I22 PolarHBondContact O-N 3.15Å; I22-M25 PolarHBondContact O-N 2.92Å; I22-G26 PolarHBondContact O-N 3.43Å
23F55.4Low53.7Low143 Ų143114.2 Ų114.263%0.62759%0.592SS**Hα-helixtrans-66.2-38.1177.4-105.5-91.1000112.7F19 Y20 L21 G26 T27F19-F23 PolarHBondContact O-N 3Å; F19-F23 VanDerWaalsContact O-N 3.14Å; Y20-F23 PolarHBondContact O-N 3.37Å; L21-F23 VanDerWaalsContact C-N 3.35Å; F23-G26 PolarHBondContact O-N 3.21Å; F23-T27 WeakPolarHBondContact O-CG2 3.36Å; F23-T27 PolarHBondContact O-N 3.47Å; F23-T27 PolarHBondContact O-OG1 3.32Å
24L54.8Low53.3Low109 Ų109115.3 Ų115.357%0.57160%0.598SS**Hα-helixtrans-66.4-39.7175.8-116.7116.8000112.6Y20 L21 T27 I28Y20-L24 PolarHBondContact O-N 3.03Å; L21-L24 PolarHBondContact O-N 3.37Å; L24-T27 PolarHBondContact O-N 3.23Å; L24-T27 PolarHBondContact O-OG1 3Å; L24-I28 WeakPolarHBondContact O-CD1 3.5Å; L24-I28 WeakPolarHBondContact O-CG1 3.48Å; L24-I28 PolarHBondContact O-N 3.47Å
25M55.1Low52.6Low124 Ų124115.3 Ų115.361%0.61160%0.596SS**Hα-helixtrans-72.3-29.4175.8-66.8-61.1-70.400112.6L21 I22 I28 S29L21-M25 WeakPolarHBondContact O-CG 3.33Å; L21-M25 PolarHBondContact O-N 3.23Å; I22-M25 PolarHBondContact O-N 2.92Å; M25-I28 HydrophobicContact SD-CD1 4.46Å; M25-S29 PolarHBondContact O-N 3.44Å; M25-S29 PolarHBondContact O-OG 2.99Å
26G51.8Low52.4Low38 Ų38111.5 Ų111.539%0.39259%0.589SS.*Hα-helixtrans-70.4-33.3173.500000113.3I22 F23 S29I22-G26 PolarHBondContact O-N 3.43Å; F23-G26 PolarHBondContact O-N 3.21Å; G26-S29 PolarHBondContact O-N 3.44Å
27T51Low52.2Low88 Ų88110 Ų11054%0.5460%0.6SS.*Hα-helixtrans-79.4-25.1175.552.30000113.6F23 L24 S29F23-T27 WeakPolarHBondContact O-CG2 3.36Å; F23-T27 PolarHBondContact O-N 3.47Å; F23-T27 PolarHBondContact O-OG1 3.32Å; L24-T27 PolarHBondContact O-N 3.23Å; L24-T27 PolarHBondContact O-OG1 3Å; T27-S29 VanDerWaalsContact C-N 3.29Å
28I46.9Very low52.1Low107 Ų107115.3 Ų115.355%0.54962%0.618SS.*Hα-helixtrans-73-25.4171.4-65.5165.1000110.9L24 M25 L30L24-I28 WeakPolarHBondContact O-CD1 3.5Å; L24-I28 WeakPolarHBondContact O-CG1 3.48Å; L24-I28 PolarHBondContact O-N 3.47Å; M25-I28 HydrophobicContact SD-CD1 4.46Å; I28-L30 VanDerWaalsContact C-N 3.32Å; I28-L30 PolarHBondContact O-N 3.05Å
29S50.6Low51.2Low103 Ų103115.3 Ų115.372%0.7262%0.623SS**THydrogen-bonded Turntrans-83.73.9176.2-62.50000115.1M25 G26 T27M25-S29 PolarHBondContact O-N 3.44Å; M25-S29 PolarHBondContact O-OG 2.99Å; G26-S29 PolarHBondContact O-N 3.44Å; T27-S29 VanDerWaalsContact C-N 3.29Å
30L51.6Low50.7Low160 Ų160117.1 Ų117.184%0.83864%0.635SS**THydrogen-bonded Turntrans-116.57.2173.1-90.2155.1000113.3I28I28-L30 VanDerWaalsContact C-N 3.32Å; I28-L30 PolarHBondContact O-N 3.05Å
31A52.6Low50.4Low79 Ų79114 Ų11465%0.65364%0.639SS**SBendtrans-13852179.700000111.9
32C45.7Very low50Low89 Ų89113.6 Ų113.660%0.60164%0.641SS**  trans-172.884.6151.8-126.60000109.6
33N42.4Very low49.6Very low169 Ų169117.1 Ų117.190%0.90466%0.661SS**  trans-106.573.4137.7-80-25.6000105.1M35N33-M35 PolarHBondContact O-N 3.47Å
34D44.3Very low49.2Very low138 Ų138115.6 Ų115.674%0.73866%0.663SS**  trans-61.994157.3-94.7-20.1000106.2T36D34-T36 VanDerWaalsContact C-N 3.3Å; D34-T36 PolarHBondContact O-N 2.93Å
35M39.1Very low49Very low117 Ų117116.9 Ų116.958%0.57667%0.671SS**  trans-68.494.6173.2-167.3164.6173.200107N33 M40N33-M35 PolarHBondContact O-N 3.47Å; M35-M40 HydrophobicContact CE-CB 3.86Å; M35-M40 HydrophobicContact CE-CE 3.17Å; M35-M40 HydrophobicContact CE-CG 3.42Å; M35-M40 VanDerWaalsContact CE-CG 3.42Å; M35-M40 HydrophobicContact CE-SD 3.98Å; M35-M40 HydrophobicContact CG-CE 4.45Å; M35-M40 HydrophobicContact SD-CE 3.46Å; M35-M40 WeakPolarHBondContact SD-CE 3.46Å
36T51.4Low48.5Very low72 Ų72115.9 Ų115.944%0.44267%0.674SS.*  trans-51.9136.7172.248.70000109.5D34 E38 Q39D34-T36 VanDerWaalsContact C-N 3.3Å; D34-T36 PolarHBondContact O-N 2.93Å; T36-E38 PolarHBondContact O-N 2.9Å; T36-Q39 PolarHBondContact O-N 3.28Å
37P51.7Low48.1Very low124 Ų124117.7 Ų117.781%0.80568%0.681SS**THydrogen-bonded Turntrans-57.8-13.8-177.6-2331.9000114.6
38E54Low48Very low169 Ų169117.5 Ų117.579%0.7968%0.683SS**THydrogen-bonded Turntrans-88.2-14.6-174.8-64.8-172.5153.900114.6T36T36-E38 PolarHBondContact O-N 2.9Å
39Q42.2Very low47.9Very low149 Ų149117.2 Ų117.270%0.69669%0.689SS**SBendtrans-101.5-2.8179.6-73.1-169.2-26.900114.8T36 A41 T42T36-Q39 PolarHBondContact O-N 3.28Å; Q39-A41 PolarHBondContact O-N 3.42Å; Q39-T42 PolarHBondContact O-OG1 3.24Å
40M47.9Very low47.5Very low139 Ų139120.4 Ų120.469%0.68569%0.692SS**THydrogen-bonded Turntrans-78-5.2168.2-142.5173-118.200111.9M35M35-M40 HydrophobicContact CE-CB 3.86Å; M35-M40 HydrophobicContact CE-CE 3.17Å; M35-M40 HydrophobicContact CE-CG 3.42Å; M35-M40 VanDerWaalsContact CE-CG 3.42Å; M35-M40 HydrophobicContact CE-SD 3.98Å; M35-M40 HydrophobicContact CG-CE 4.45Å; M35-M40 HydrophobicContact SD-CE 3.46Å; M35-M40 WeakPolarHBondContact SD-CE 3.46Å
41A52.1Low47.3Very low79 Ų79122.9 Ų122.965%0.65369%0.69SS**THydrogen-bonded Turntrans-103.514.6-170.600000115.2Q39Q39-A41 PolarHBondContact O-N 3.42Å
42T49.9Very low46.7Very low102 Ų102126.8 Ų126.863%0.62670%0.695SS**SBendtrans-113.7-2.1-16943.50000117.8Q39Q39-T42 PolarHBondContact O-OG1 3.24Å
43N51Low46.5Very low162 Ų162127.9 Ų127.987%0.86670%0.699SS**SBendtrans-134.421.7172.6-81.5-25.8000115.1
44V47.1Very low46.9Very low110 Ų110129.3 Ų129.367%0.66769%0.691SS**  trans-105.175.8160.9-167.90000106.8C46V44-C46 HydrophobicContact CG1-CB 3.64Å; V44-C46 WeakPolarHBondContact CG1-SG 3.49Å; V44-C46 PolarHBondContact O-N 3.37Å
45N50.3Low47Very low137 Ų137128.2 Ų128.273%0.73370%0.695SS**  trans-67.965151.3-171.739.1000108S47N45-S47 PolarHBondContact ND2-OG 2.89Å; N45-S47 PolarHBondContact O-N 3.38Å; N45-S47 VanDerWaalsContact O-N 3.09Å; N45-S47 WeakPolarHBondContact OD1-CB 3.31Å; N45-S47 PolarHBondContact OD1-N 3.09Å; N45-S47 PolarHBondContact OD1-OG 2.8Å
46C45.4Very low47.6Very low102 Ų102129.4 Ų129.469%0.68969%0.694SS**  trans-77.564.1149.8-80.90000105.8V44 S48V44-C46 HydrophobicContact CG1-CB 3.64Å; V44-C46 WeakPolarHBondContact CG1-SG 3.49Å; V44-C46 PolarHBondContact O-N 3.37Å; C46-S48 PolarHBondContact O-N 2.86Å
47S42Very low48.1Very low77 Ų77129.8 Ų129.854%0.53869%0.693SS.*  trans-5391.7137.748.40000104.4N45 P49N45-S47 PolarHBondContact ND2-OG 2.89Å; N45-S47 PolarHBondContact O-N 3.38Å; N45-S47 VanDerWaalsContact O-N 3.09Å; N45-S47 WeakPolarHBondContact OD1-CB 3.31Å; N45-S47 PolarHBondContact OD1-N 3.09Å; N45-S47 PolarHBondContact OD1-OG 2.8Å; S47-P49 WeakPolarHBondContact O-CD 3.48Å
48S50.6Low48.6Very low83 Ų83125.7 Ų125.758%0.5866%0.662SS**  trans-41.8121.2161.3170.80000103.4C46 E50C46-S48 PolarHBondContact O-N 2.86Å; S48-E50 PolarHBondContact O-N 2.76Å
49P44.2Very low49.1Very low102 Ų102122 Ų12266%0.66265%0.646SS**  trans-51.71211672.23.3000103.1S47 R51S47-P49 WeakPolarHBondContact O-CD 3.48Å; P49-R51 PolarHBondContact O-N 2.72Å
50E42.5Very low50.3Low170 Ų170122.7 Ų122.779%0.79465%0.649SS**  trans-52.597.9164.7-78.1-178.4149.500103.2S48 H52S48-E50 PolarHBondContact O-N 2.76Å; E50-H52 PolarHBondContact O-N 2.65Å
51R46.4Very low51Low212 Ų212118.2 Ų118.280%0.864%0.638SS**  trans-71.283.6171.9-80.1-169.1-79.7158-6.5101.9P49 T53P49-R51 PolarHBondContact O-N 2.72Å; R51-T53 VanDerWaalsContact C-N 3.32Å; R51-T53 PolarHBondContact O-N 2.82Å
52H39.9Very low52.4Low161 Ų161116.7 Ų116.775%0.74563%0.63SS**  trans-35.2114.2142.4-89.4-94.8000104.7E50 R54E50-H52 PolarHBondContact O-N 2.65Å; H52-R54 PolarHBondContact O-N 2.64Å
53T42.6Very low54.3Low112 Ų112116.6 Ų116.669%0.68763%0.626SS**  trans-57.189.2173.7-31.10000104.4R51 S55R51-T53 VanDerWaalsContact C-N 3.32Å; R51-T53 PolarHBondContact O-N 2.82Å; T53-S55 PolarHBondContact O-N 2.94Å
54R49.8Very low56.3Low198 Ų198111.8 Ų111.875%0.74760%0.602SS**  trans-57107.6164.5-98.8-175173.3136.8-1.1101.8H52 Y56H52-R54 PolarHBondContact O-N 2.64Å; R54-Y56 HydrophobicContact CB-CD2 4.39Å; R54-Y56 HydrophobicContact CB-CE2 4.16Å; R54-Y56 WeakPolarHBondContact O-CD2 3.37Å; R54-Y56 PolarHBondContact O-N 3.24Å
55S47.1Very low58.6Low115 Ų115108.6 Ų108.680%0.80458%0.578SS**  trans-61.582.8167175.50000104.6T53 D57T53-S55 PolarHBondContact O-N 2.94Å; S55-D57 PolarHBondContact O-N 3Å; S55-D57 VanDerWaalsContact O-N 3.13Å
56Y51Low60.9Low142 Ų142105.4 Ų105.456%0.55756%0.563SS**  trans-57120.4164.9-72.5-78.3000104.5R54 Y58R54-Y56 HydrophobicContact CB-CD2 4.39Å; R54-Y56 HydrophobicContact CB-CE2 4.16Å; R54-Y56 WeakPolarHBondContact O-CD2 3.37Å; R54-Y56 PolarHBondContact O-N 3.24Å; Y56-Y58 PolarHBondContact O-N 3.13Å
57D62.3Low63.4Low80 Ų80103.9 Ų103.943%0.42854%0.543SS..  trans-57.9116.1161-171.1-10.9000105.2S55 M59 E60S55-D57 PolarHBondContact O-N 3Å; S55-D57 VanDerWaalsContact O-N 3.13Å; D57-M59 PolarHBondContact O-N 2.72Å; D57-M59 PolarHBondContact OD1-N 2.87Å; D57-E60 HydrophobicContact CB-CB 4.06Å; D57-E60 HydrophobicContact CB-CG 3.76Å; D57-E60 PolarHBondContact O-N 2.92Å
58Y63.1Low66.1Low38 Ų38101.6 Ų101.615%0.14952%0.523CS..THydrogen-bonded Turntrans-56-12-179.9-73-86.8000111.6Y56 R101 V103 A109 C133 N134 N138Y56-Y58 PolarHBondContact O-N 3.13Å; Y58-R101 WeakPolarHBondContact O-CD 3.49Å; Y58-R101 PolarHBondContact O-NE 2.64Å; Y58-R101 PolarHBondContact O-NH1 2.75Å; Y58-V103 HydrophobicContact CD1-CG2 3.88Å; Y58-V103 HydrophobicContact CE1-CG1 4.1Å; Y58-V103 HydrophobicContact CE1-CG2 3.86Å; Y58-A109 HydrophobicContact CD1-CB 3.98Å; Y58-A109 HydrophobicContact CE1-CB 4.22Å; Y58-C133 HydrophobicContact CD1-CB 4.3Å; Y58-C133 HydrophobicContact CD2-CB 3.7Å; Y58-C133 HydrophobicContact CE1-CB 4.43Å; Y58-C133 WeakPolarHBondContact CE1-SG 3.35Å; Y58-C133 HydrophobicContact CE2-CB 3.85Å; Y58-C133 HydrophobicContact CG-CB 3.93Å; Y58-N134 PolarHBondContact OH-O 2.86Å; Y58-N134 VanDerWaalsContact OH-O 3.05Å; Y58-N138 VanDerWaalsContact CE1-OD1 3.23Å; Y58-N138 WeakPolarHBondContact CE1-OD1 3.2Å; Y58-N138 PolarHBondContact OH-ND2 3.2Å; Y58-N138 PolarHBondContact OH-OD1 2.84Å
59M63.5Low68.3Low93 Ų9397.7 Ų97.746%0.45850%0.495SS..THydrogen-bonded Turntrans-93.3-17176.6-56.3-56.2-168.100115D57 R101 F118D57-M59 PolarHBondContact O-N 2.72Å; D57-M59 PolarHBondContact OD1-N 2.87Å; M59-R101 VanDerWaalsContact C-NH1 3.27Å; M59-R101 PolarHBondContact O-NH1 2.82Å; M59-F118 HydrophobicContact CE-CE2 4.24Å; M59-F118 HydrophobicContact CE-CZ 3.92Å; M59-F118 HydrophobicContact SD-CZ 4.49Å
60E66.8Low70.9Confident163 Ų16394.4 Ų94.476%0.76247%0.471SS*.SBendtrans-991.7-165.3-73.2-175158.700116.1D57D57-E60 HydrophobicContact CB-CB 4.06Å; D57-E60 HydrophobicContact CB-CG 3.76Å; D57-E60 PolarHBondContact O-N 2.92Å
61G64.6Low73.6Confident44 Ų4486.3 Ų86.345%0.45443%0.433SS..  trans-175.2173175.700000115.9R101G61-R101 WeakPolarHBondContact O-CD 3.42Å
62G79.8Confident76.1Confident47 Ų4780 Ų8049%0.48541%0.409SS..SBendtrans104.1155.4179.500000114.3T102G62-T102 WeakPolarHBondContact CA-O 3.31Å
63D90.2Very high78.8Confident101 Ų10173.8 Ų73.854%0.5438%0.382SS..  trans-63.6135.5169.4178.652.5000110.1R65 R101 T102D63-R65 WeakPolarHBondContact OD2-CD 3.28Å; D63-R65 WeakPolarHBondContact OD2-CG 3.3Å; D63-R65 IonicContact OD2-NE 3.37Å; D63-R101 WeakPolarHBondContact O-CA 3.43Å; D63-T102 PolarHBondContact O-N 3.36Å
64V93.7Very high81.5Confident60 Ų6073.5 Ų73.536%0.36437%0.373SS..EExtended strand (participates in β ladder)trans-118.8124-174.5-179.50000109.6E99 R101V64-E99 HydrophobicContact CG1-CG 3.42Å; V64-E99 VanDerWaalsContact CG1-CG 3.42Å; V64-R101 HydrophobicContact CG2-CG 4.15Å
65R95.8Very high83.8Confident44 Ų4466 Ų6617%0.16635%0.345CS..EExtended strand (participates in β ladder)trans-125.9115-177.3-62.1173.3-73.2149.8-2.1109.6D63 R67 I100 E141D63-R65 WeakPolarHBondContact OD2-CD 3.28Å; D63-R65 WeakPolarHBondContact OD2-CG 3.3Å; D63-R65 IonicContact OD2-NE 3.37Å; R65-R67 HydrophobicContact CB-CG 4.24Å; R65-I100 HydrophobicContact CB-CB 4.48Å; R65-I100 PolarHBondContact N-O 2.99Å; R65-I100 PolarHBondContact O-N 3.45Å; R65-E141 IonicContact CZ-OE2 3.71Å; R65-E141 IonicContact NH1-OE1 2.76Å; R65-E141 PolarHBondContact NH1-OE1 2.9Å; R65-E141 IonicContact NH1-OE2 3.29Å; R65-E141 PolarHBondContact NH1-OE2 2.92Å; R65-E141 IonicContact NH2-OE1 3.72Å; R65-E141 IonicContact NH2-OE2 3.08Å; R65-E141 PolarHBondContact NH2-OE2 2.84Å
66V97.6Very high86.3Confident69 Ų6962.6 Ų62.642%0.41832%0.315SS..EExtended strand (participates in β ladder)trans-86.6119.8171.9-171.40000109.4I97 L98 V113 I193V66-I97 HydrophobicContact CG1-CG2 3.52Å; V66-L98 CarbonylContact C-O 3.53Å; V66-L98 WeakPolarHBondContact CA-O 3.31Å; V66-V113 HydrophobicContact CG1-CG2 4.47Å; V66-I193 HydrophobicContact CG1-CG1 3.84Å
67R97.8Very high88.5Confident70 Ų7055.8 Ų55.826%0.26429%0.288SS..EExtended strand (participates in β ladder)trans-146164.8-171.9-59.2-66.1167.162.3-0.7112.2R65 L98 I100 P190 L191R65-R67 HydrophobicContact CB-CG 4.24Å; R67-L98 PolarHBondContact N-O 3.08Å; R67-L98 PolarHBondContact O-N 3.29Å; R67-L98 VanDerWaalsContact O-O 3.11Å; R67-I100 HydrophobicContact CB-CD1 4.18Å; R67-I100 HydrophobicContact CG-CD1 4.3Å; R67-P190 HydrophobicContact CB-CB 4.42Å; R67-P190 HydrophobicContact CG-CB 4.26Å; R67-L191 CarbonylContact C-O 3.57Å; R67-L191 WeakPolarHBondContact CA-O 3.45Å; R67-L191 WeakPolarHBondContact CB-O 3.37Å; R67-L191 VanDerWaalsContact CD-O 3.29Å; R67-L191 WeakPolarHBondContact CD-O 2.96Å
68R98.1Very high90.3Very high29 Ų2954.4 Ų54.411%0.10928%0.277CS..EExtended strand (participates in β ladder)trans-100.7135.8156.5-67.6-178176.790.50.5109Y76 A91 S96 P190 L191 I193R68-Y76 HydrophobicContact CB-CD1 3.9Å; R68-Y76 HydrophobicContact CB-CE1 4.24Å; R68-Y76 HydrophobicContact CG-CD1 4.49Å; R68-A91 VanDerWaalsContact CZ-O 3.26Å; R68-A91 PolarHBondContact NE-O 2.93Å; R68-A91 PolarHBondContact NH2-O 2.91Å; R68-S96 PolarHBondContact NE-OG 2.87Å; R68-P190 WeakPolarHBondContact O-CA 3.41Å; R68-L191 PolarHBondContact N-O 3.43Å; R68-L191 PolarHBondContact O-N 3.17Å; R68-I193 HydrophobicContact CG-CD1 3.64Å
69L98.4Very high92Very high1 Ų152.6 Ų52.61%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-93.1102.1171.5-70179.6000109.6M77 L98 I100 I110 Y151 F188 P190L69-M77 HydrophobicContact CB-CB 4.21Å; L69-M77 PolarHBondContact O-N 2.86Å; L69-L98 HydrophobicContact CB-CD1 4.04Å; L69-L98 HydrophobicContact CD1-CD1 3.79Å; L69-L98 HydrophobicContact CG-CD1 3.86Å; L69-I100 HydrophobicContact CD2-CD1 3.83Å; L69-I100 HydrophobicContact CG-CD1 4.29Å; L69-I110 HydrophobicContact CD1-CD1 4.02Å; L69-I110 HydrophobicContact CD1-CG2 4.36Å; L69-Y151 HydrophobicContact CD1-CE2 4.21Å; L69-Y151 HydrophobicContact CD2-CE2 4.04Å; L69-Y151 WeakPolarHBondContact CD2-OH 3.39Å; L69-F188 HydrophobicContact CB-CB 4.44Å; L69-F188 HydrophobicContact CB-CD1 3.96Å; L69-F188 HydrophobicContact CD2-CB 4.39Å; L69-P190 HydrophobicContact CD2-CB 4.14Å; L69-P190 HydrophobicContact CD2-CG 4.12Å
70F98.4Very high93.6Very high33 Ų3349.4 Ų49.415%0.14526%0.255CS..EExtended strand (participates in β ladder)trans-89.8109177.9-174.9-112.2000110.8Q74 Y76 F188 L189 L191F70-Q74 HydrophobicContact CZ-CB 4.36Å; F70-Y76 HydrophobicContact CB-CD1 4.11Å; F70-Y76 HydrophobicContact CB-CE1 4.06Å; F70-Y76 AromaticContact CD2-CD1 3.77Å; F70-Y76 HydrophobicContact CD2-CD1 3.77Å; F70-Y76 HydrophobicContact CD2-CD2 4.22Å; F70-Y76 AromaticContact CD2-CE1 3.62Å; F70-Y76 HydrophobicContact CD2-CE1 3.62Å; F70-Y76 HydrophobicContact CD2-CE2 4.06Å; F70-Y76 HydrophobicContact CD2-CG 4.08Å; F70-Y76 AromaticContact CD2-CZ 3.76Å; F70-Y76 HydrophobicContact CE2-CE1 4.46Å; F70-Y76 HydrophobicContact CE2-CE2 4.18Å; F70-Y76 HydrophobicContact CG-CD1 4.42Å; F70-Y76 HydrophobicContact CG-CE1 4.19Å; F70-F188 CarbonylContact O-C 3.46Å; F70-F188 WeakPolarHBondContact O-CA 3.29Å; F70-L189 PolarHBondContact N-O 3.49Å; F70-L189 PolarHBondContact O-N 3.04Å; F70-L191 HydrophobicContact CB-CD1 3.68Å; F70-L191 HydrophobicContact CB-CG 4.27Å; F70-L191 HydrophobicContact CG-CD1 4.24Å
71C98.6Very high95.1Very high0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-69.5141.2177.2-167.60000110.7T73 Q74 W75 L167 A185 H187 F188C71-T73 PolarHBondContact O-N 3.42Å; C71-T73 PolarHBondContact SG-OG1 3.26Å; C71-Q74 PolarHBondContact O-N 2.91Å; C71-W75 VanDerWaalsContact CB-O 3.32Å; C71-W75 WeakPolarHBondContact CB-O 3.49Å; C71-W75 PolarHBondContact N-O 3.49Å; C71-W75 PolarHBondContact O-N 2.85Å; C71-L167 HydrophobicContact CB-CB 4.19Å; C71-L167 HydrophobicContact CB-CD1 4.15Å; C71-A185 PolarHBondContact SG-O 3.2Å; C71-A185 VanDerWaalsContact SG-O 3.41Å; C71-H187 CarbonylContact C-O 3.53Å; C71-H187 WeakPolarHBondContact CA-O 3.48Å; C71-F188 HydrophobicContact CB-CD1 3.74Å; C71-F188 HydrophobicContact CB-CE1 3.48Å; C71-F188 VanDerWaalsContact CB-CE1 3.48Å; C71-F188 HydrophobicContact CB-CZ 4.08Å
72R98.3Very high96.7Very high81 Ų8156.3 Ų56.331%0.30626%0.264SS..THydrogen-bonded Turntrans-57.3-19.8175.7-166.9172.4-177-179.96.2113.3Q74 N146 Y148 K184 H187R72-Q74 PolarHBondContact O-N 2.91Å; R72-Q74 PolarHBondContact O-NE2 3.37Å; R72-N146 PolarHBondContact NH1-ND2 3.35Å; R72-Y148 HydrophobicContact CB-CD1 4.13Å; R72-Y148 HydrophobicContact CB-CE1 3.69Å; R72-Y148 HydrophobicContact CG-CE1 3.98Å; R72-K184 WeakPolarHBondContact CB-O 3.26Å; R72-K184 HydrophobicContact CG-CB 4.46Å; R72-H187 HydrophobicContact CB-CB 3.89Å; R72-H187 PolarHBondContact N-O 3.05Å; R72-H187 PolarHBondContact NH1-ND1 3.29Å; R72-H187 VanDerWaalsContact NH1-ND1 3.15Å
73T98.5Very high97.5Very high29 Ų2954.4 Ų54.418%0.17824%0.244CC..THydrogen-bonded Turntrans-77.111.5171.159.40000114.4C71 W75 L167 A185C71-T73 PolarHBondContact O-N 3.42Å; C71-T73 PolarHBondContact SG-OG1 3.26Å; T73-W75 PolarHBondContact O-NE1 3.14Å; T73-L167 WeakPolarHBondContact CG2-O 3.43Å; T73-L167 PolarHBondContact OG1-O 3.06Å; T73-A185 HydrophobicContact CG2-CB 4.19Å
74Q98.3Very high97.9Very high107 Ų10754.8 Ų54.850%0.524%0.241SC..THydrogen-bonded Turntrans71.546176-49.4-62.7-60.300113.8F70 C71 R72F70-Q74 HydrophobicContact CZ-CB 4.36Å; C71-Q74 PolarHBondContact O-N 2.91Å; R72-Q74 PolarHBondContact O-N 2.91Å; R72-Q74 PolarHBondContact O-NE2 3.37Å
75W98.6Very high98.2Very high40 Ų4052.3 Ų52.315%0.15223%0.226CC..EExtended strand (participates in β ladder)trans-140.8132.8178.8-65.195.4000111.4C71 T73 R89 L167 H169C71-W75 VanDerWaalsContact CB-O 3.32Å; C71-W75 WeakPolarHBondContact CB-O 3.49Å; C71-W75 PolarHBondContact N-O 3.49Å; C71-W75 PolarHBondContact O-N 2.85Å; T73-W75 PolarHBondContact O-NE1 3.14Å; W75-R89 HydrophobicContact CD2-CG 4.27Å; W75-R89 HydrophobicContact CE3-CG 3.74Å; W75-R89 HydrophobicContact CH2-CG 4.05Å; W75-R89 HydrophobicContact CZ3-CB 4.49Å; W75-R89 HydrophobicContact CZ3-CG 3.63Å; W75-L167 HydrophobicContact CB-CD1 3.94Å; W75-H169 PolarHBondContact NE1-O 2.9Å
76Y98.6Very high98.3Very high43 Ų4353.5 Ų53.517%0.16923%0.232CC..EExtended strand (participates in β ladder)trans-75.2128.5164-62.4-78.7000109.5R68 F70 R78 G87 T88 A91 L191R68-Y76 HydrophobicContact CB-CD1 3.9Å; R68-Y76 HydrophobicContact CB-CE1 4.24Å; R68-Y76 HydrophobicContact CG-CD1 4.49Å; F70-Y76 HydrophobicContact CB-CD1 4.11Å; F70-Y76 HydrophobicContact CB-CE1 4.06Å; F70-Y76 AromaticContact CD2-CD1 3.77Å; F70-Y76 HydrophobicContact CD2-CD1 3.77Å; F70-Y76 HydrophobicContact CD2-CD2 4.22Å; F70-Y76 AromaticContact CD2-CE1 3.62Å; F70-Y76 HydrophobicContact CD2-CE1 3.62Å; F70-Y76 HydrophobicContact CD2-CE2 4.06Å; F70-Y76 HydrophobicContact CD2-CG 4.08Å; F70-Y76 AromaticContact CD2-CZ 3.76Å; F70-Y76 HydrophobicContact CE2-CE1 4.46Å; F70-Y76 HydrophobicContact CE2-CE2 4.18Å; F70-Y76 HydrophobicContact CG-CD1 4.42Å; F70-Y76 HydrophobicContact CG-CE1 4.19Å; Y76-R78 PolarHBondContact O-N 2.89Å; Y76-G87 CarbonylContact O-C 3.51Å; Y76-G87 VanDerWaalsContact O-CA 3.26Å; Y76-G87 WeakPolarHBondContact O-CA 3.23Å; Y76-T88 PolarHBondContact N-O 3.07Å; Y76-T88 PolarHBondContact O-N 3.08Å; Y76-A91 HydrophobicContact CE2-CB 4.05Å; Y76-L191 HydrophobicContact CE1-CD1 3.98Å
77M98.6Very high98.4Very high0 Ų050.7 Ų50.70%022%0.217CC..EExtended strand (participates in β ladder)trans-65.7134.2169.8178162.4-69.800110.1L69 V85 S96 L98 L119 V165 L167 F188L69-M77 HydrophobicContact CB-CB 4.21Å; L69-M77 PolarHBondContact O-N 2.86Å; M77-V85 HydrophobicContact CE-CG1 4.24Å; M77-V85 HydrophobicContact CG-CG1 4.41Å; M77-V85 HydrophobicContact SD-CG1 4.27Å; M77-S96 WeakPolarHBondContact O-CA 3.41Å; M77-L98 HydrophobicContact CB-CD1 4.36Å; M77-L98 HydrophobicContact CG-CD1 4.32Å; M77-L119 HydrophobicContact SD-CD1 4.28Å; M77-L119 HydrophobicContact SD-CD2 3.81Å; M77-V165 HydrophobicContact CE-CG1 3.29Å; M77-V165 HydrophobicContact SD-CG1 4.05Å; M77-L167 HydrophobicContact CB-CD1 4.14Å; M77-L167 HydrophobicContact CE-CD1 4.3Å; M77-L167 HydrophobicContact CE-CD2 4.37Å; M77-L167 HydrophobicContact CE-CG 4.07Å; M77-F188 HydrophobicContact CB-CE1 4.28Å; M77-F188 HydrophobicContact CE-CE1 3.76Å; M77-F188 HydrophobicContact CE-CZ 3.72Å
78R98.4Very high98.4Very high50 Ų5047.9 Ų47.919%0.18921%0.207CC..EExtended strand (participates in β ladder)trans-133.7151.4172.863.4165.4-174.896.3-10.8112Y76 D80 V85 K86 T88 Y95Y76-R78 PolarHBondContact O-N 2.89Å; R78-D80 IonicContact NH1-OD2 3.59Å; R78-D80 PolarHBondContact NH1-OD2 2.9Å; R78-V85 WeakPolarHBondContact O-CA 3.5Å; R78-K86 VanDerWaalsContact CG-O 3.23Å; R78-K86 WeakPolarHBondContact CG-O 3.28Å; R78-K86 PolarHBondContact N-O 3.23Å; R78-K86 PolarHBondContact O-N 2.89Å; R78-T88 HydrophobicContact CB-CG2 4.27Å; R78-T88 HydrophobicContact CG-CG2 4.18Å; R78-Y95 WeakPolarHBondContact CA-O 3.32Å; R78-Y95 VanDerWaalsContact CB-O 3.29Å; R78-Y95 WeakPolarHBondContact CB-O 3.45Å
79I98.8Very high98.4Very high0 Ų054.6 Ų54.60%023%0.233CC..EExtended strand (participates in β ladder)trans-124.3108.6172.1-48.6174.9000106.9V85 Y95 L98 S115 Y117 L119I79-V85 HydrophobicContact CG1-CG2 4.38Å; I79-Y95 PolarHBondContact N-O 3.3Å; I79-Y95 VanDerWaalsContact N-O 3.12Å; I79-Y95 WeakPolarHBondContact O-CD1 3.49Å; I79-L98 HydrophobicContact CD1-CD2 4.34Å; I79-L98 HydrophobicContact CG1-CD2 4.44Å; I79-S115 WeakPolarHBondContact O-CB 3.27Å; I79-S115 PolarHBondContact O-OG 2.88Å; I79-Y117 HydrophobicContact CG2-CG 4.47Å; I79-L119 HydrophobicContact CD1-CB 3.93Å; I79-L119 HydrophobicContact CD1-CD1 4.45Å
80D98.1Very high98.2Very high27 Ų2759.8 Ų59.814%0.14426%0.257CS..  trans-77.7173.8-176.963.436.5000113.7R78 R82 G83 K84 S115R78-D80 IonicContact NH1-OD2 3.59Å; R78-D80 PolarHBondContact NH1-OD2 2.9Å; D80-R82 PolarHBondContact O-N 3.43Å; D80-R82 WeakPolarHBondContact OD1-CA 3.46Å; D80-R82 WeakPolarHBondContact OD1-CB 3.37Å; D80-R82 PolarHBondContact OD1-N 3.08Å; D80-G83 PolarHBondContact O-N 2.76Å; D80-G83 PolarHBondContact OD1-N 2.8Å; D80-K84 PolarHBondContact N-O 3.38Å; D80-K84 VanDerWaalsContact N-O 3.11Å; D80-K84 WeakPolarHBondContact OD1-CB 3.2Å; D80-K84 PolarHBondContact OD1-N 2.79Å; D80-K84 WeakPolarHBondContact OD2-CB 3.45Å; D80-S115 WeakPolarHBondContact O-CB 3.34Å
81K98.1Very high97.8Very high143 Ų14360.8 Ų60.862%0.62227%0.272SS*.THydrogen-bonded Turntrans-55.4-13.1177.868.4-178.9-178.3-179.10115.8Y95 Y117K81-Y95 HydrophobicContact CB-CE1 4.03Å; K81-Y117 WeakPolarHBondContact O-CE2 3.04Å
82R97.9Very high97.5Very high209 Ų20966.9 Ų66.979%0.78930%0.304SS*.THydrogen-bonded Turntrans-101.47.2175.6-59.3-176.8179179.50.9112.2D80 K84D80-R82 PolarHBondContact O-N 3.43Å; D80-R82 WeakPolarHBondContact OD1-CA 3.46Å; D80-R82 WeakPolarHBondContact OD1-CB 3.37Å; D80-R82 PolarHBondContact OD1-N 3.08Å; R82-K84 VanDerWaalsContact C-N 3.29Å; R82-K84 PolarHBondContact O-N 2.88Å
83G97.8Very high97.4Very high6 Ų664.1 Ų64.16%0.06230%0.295CS..  trans71.620.9-174.800000113.2D80 G129D80-G83 PolarHBondContact O-N 2.76Å; D80-G83 PolarHBondContact OD1-N 2.8Å; G83-G129 WeakPolarHBondContact O-CA 3.29Å; G83-G129 PolarHBondContact O-N 3.34Å
84K98.4Very high97.3Very high110 Ų11067 Ų6748%0.47831%0.31SS..  trans-89.4124.5178.8-171.4177.7-174.5172.30110.3D80 R82D80-K84 PolarHBondContact N-O 3.38Å; D80-K84 VanDerWaalsContact N-O 3.11Å; D80-K84 WeakPolarHBondContact OD1-CB 3.2Å; D80-K84 PolarHBondContact OD1-N 2.79Å; D80-K84 WeakPolarHBondContact OD2-CB 3.45Å; R82-K84 VanDerWaalsContact C-N 3.29Å; R82-K84 PolarHBondContact O-N 2.88Å
85V98.7Very high97.4Very high8 Ų865 Ų655%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-87.9125.9177.9-173.40000109.6M77 R78 I79 L119 L127 P173M77-V85 HydrophobicContact CE-CG1 4.24Å; M77-V85 HydrophobicContact CG-CG1 4.41Å; M77-V85 HydrophobicContact SD-CG1 4.27Å; R78-V85 WeakPolarHBondContact O-CA 3.5Å; I79-V85 HydrophobicContact CG1-CG2 4.38Å; V85-L119 HydrophobicContact CB-CD1 4.38Å; V85-L119 HydrophobicContact CG1-CD1 3.84Å; V85-L119 HydrophobicContact CG2-CD1 3.62Å; V85-L127 HydrophobicContact CB-CB 4.41Å; V85-L127 HydrophobicContact CG1-CB 4.49Å; V85-L127 HydrophobicContact CG2-CB 4.46Å; V85-P173 HydrophobicContact CB-CG 4.24Å; V85-P173 HydrophobicContact CG1-CG 4.09Å; V85-P173 WeakPolarHBondContact O-CD 3.29Å; V85-P173 WeakPolarHBondContact O-CG 3.12Å
86K98.4Very high97.3Very high69 Ų6963 Ų6330%0.329%0.291SS..EExtended strand (participates in β ladder)trans-154171.4176.5-83.2-165.4162.4-171.90110.8R78R78-K86 VanDerWaalsContact CG-O 3.23Å; R78-K86 WeakPolarHBondContact CG-O 3.28Å; R78-K86 PolarHBondContact N-O 3.23Å; R78-K86 PolarHBondContact O-N 2.89Å
87G98.6Very high97.3Very high9 Ų962.6 Ų62.69%0.09329%0.291CS..EExtended strand (participates in β ladder)trans-84.1151.6164.300000112.4Y76 G171Y76-G87 CarbonylContact O-C 3.51Å; Y76-G87 VanDerWaalsContact O-CA 3.26Å; Y76-G87 WeakPolarHBondContact O-CA 3.23Å; G87-G171 PolarHBondContact N-O 2.98Å
88T98.4Very high97.3Very high11 Ų1162.6 Ų62.67%0.06729%0.291CS..EExtended strand (participates in β ladder)trans-132.3154.3162-173.60000110.7Y76 R78 E90 N93Y76-T88 PolarHBondContact N-O 3.07Å; Y76-T88 PolarHBondContact O-N 3.08Å; R78-T88 HydrophobicContact CB-CG2 4.27Å; R78-T88 HydrophobicContact CG-CG2 4.18Å; T88-E90 PolarHBondContact OG1-N 3.37Å; T88-N93 HydrophobicContact CG2-CB 3.95Å
89R97.5Very high97.3Very high170 Ų17062.1 Ų62.164%0.64229%0.291SS*.  trans-99.6-11.7171.8-73-179.8178.7-158.2-2.8112.6W75 A91W75-R89 HydrophobicContact CD2-CG 4.27Å; W75-R89 HydrophobicContact CE3-CG 3.74Å; W75-R89 HydrophobicContact CH2-CG 4.05Å; W75-R89 HydrophobicContact CZ3-CB 4.49Å; W75-R89 HydrophobicContact CZ3-CG 3.63Å; R89-A91 PolarHBondContact O-N 2.82Å
90E96.1Very high97.2Very high111 Ų11162.1 Ų62.152%0.51929%0.291SS..  trans-70108.9175.9-67.9161.9-156.900109.5T88 N92 N93T88-E90 PolarHBondContact OG1-N 3.37Å; E90-N92 PolarHBondContact O-N 3.39Å; E90-N93 HydrophobicContact CB-CB 3.88Å; E90-N93 WeakPolarHBondContact O-CB 3.33Å; E90-N93 PolarHBondContact O-N 2.8Å; E90-N93 PolarHBondContact OE2-ND2 3.47Å
91A88.9Confident97.1Very high54 Ų5462.7 Ų62.745%0.44629%0.291SS..THydrogen-bonded Turntrans-65.8-28.5-179.200000112.7R68 Y76 R89R68-A91 VanDerWaalsContact CZ-O 3.26Å; R68-A91 PolarHBondContact NE-O 2.93Å; R68-A91 PolarHBondContact NH2-O 2.91Å; Y76-A91 HydrophobicContact CE2-CB 4.05Å; R89-A91 PolarHBondContact O-N 2.82Å
92N92.8Very high97Very high127 Ų12757.9 Ų57.968%0.67927%0.274SS*.THydrogen-bonded Turntrans-92.812.618064.5-17.6000113.7E90 N94E90-N92 PolarHBondContact O-N 3.39Å; N92-N94 PolarHBondContact O-N 3.37Å; N92-N94 PolarHBondContact O-OD1 2.84Å
93N96.1Very high96.7Very high24 Ų2449.3 Ų49.313%0.12824%0.244CC..  trans-72.6117-179.4-169.7-64.9000111.2T88 E90 Y95 S96T88-N93 HydrophobicContact CG2-CB 3.95Å; E90-N93 HydrophobicContact CB-CB 3.88Å; E90-N93 WeakPolarHBondContact O-CB 3.33Å; E90-N93 PolarHBondContact O-N 2.8Å; E90-N93 PolarHBondContact OE2-ND2 3.47Å; N93-Y95 PolarHBondContact O-N 3.02Å; N93-Y95 VanDerWaalsContact OD1-CB 3.29Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.44Å; N93-Y95 PolarHBondContact OD1-N 3.23Å; N93-S96 WeakPolarHBondContact O-CB 3.17Å; N93-S96 PolarHBondContact O-N 3.02Å; N93-S96 PolarHBondContact O-OG 2.65Å
94N97.2Very high96.5Very high89 Ų8951 Ų5148%0.47626%0.258SS..G310 helixtrans-60-30.3-177.7-65.6-3.4000113.4N92 S96 I97 E114N92-N94 PolarHBondContact O-N 3.37Å; N92-N94 PolarHBondContact O-OD1 2.84Å; N94-S96 PolarHBondContact O-N 3.11Å; N94-I97 PolarHBondContact O-N 3.1Å; N94-E114 HydrophobicContact CB-CB 4.26Å; N94-E114 HydrophobicContact CB-CG 4.11Å
95Y98.4Very high96.2Very high64 Ų6452.9 Ų52.925%0.25128%0.278SS..G310 helixtrans-72.6-5.3176.8-62.7-71.5000114.1R78 I79 K81 N93 E114R78-Y95 WeakPolarHBondContact CA-O 3.32Å; R78-Y95 VanDerWaalsContact CB-O 3.29Å; R78-Y95 WeakPolarHBondContact CB-O 3.45Å; I79-Y95 PolarHBondContact N-O 3.3Å; I79-Y95 VanDerWaalsContact N-O 3.12Å; I79-Y95 WeakPolarHBondContact O-CD1 3.49Å; K81-Y95 HydrophobicContact CB-CE1 4.03Å; N93-Y95 PolarHBondContact O-N 3.02Å; N93-Y95 VanDerWaalsContact OD1-CB 3.29Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.44Å; N93-Y95 PolarHBondContact OD1-N 3.23Å; Y95-E114 HydrophobicContact CD1-CB 3.99Å; Y95-E114 HydrophobicContact CD1-CG 3.72Å; Y95-E114 HydrophobicContact CE1-CB 4.25Å; Y95-E114 HydrophobicContact CE1-CG 3.53Å; Y95-E114 HydrophobicContact CG-CG 4.39Å
96S98.3Very high96Very high0 Ų054.3 Ų54.30%029%0.294CS..G310 helixtrans-93.6-5174.172.80000113.9R68 M77 N93 N94 L98R68-S96 PolarHBondContact NE-OG 2.87Å; M77-S96 WeakPolarHBondContact O-CA 3.41Å; N93-S96 WeakPolarHBondContact O-CB 3.17Å; N93-S96 PolarHBondContact O-N 3.02Å; N93-S96 PolarHBondContact O-OG 2.65Å; N94-S96 PolarHBondContact O-N 3.11Å; S96-L98 PolarHBondContact O-N 2.86Å
97I98.4Very high95.9Very high34 Ų3452.2 Ų52.217%0.17429%0.287CS..  trans-80.6118175.3-55.6175.5000107.9V66 N94 V113 I193V66-I97 HydrophobicContact CG1-CG2 3.52Å; N94-I97 PolarHBondContact O-N 3.1Å; I97-V113 HydrophobicContact CG2-CB 4.17Å; I97-V113 HydrophobicContact CG2-CG2 3.9Å; I97-V113 PolarHBondContact O-N 2.96Å; I97-I193 HydrophobicContact CG1-CD1 4.33Å; I97-I193 HydrophobicContact CG2-CD1 4.16Å; I97-I193 HydrophobicContact CG2-CG1 4.32Å
98L98.5Very high95.9Very high0 Ų051.9 Ų51.90%028%0.283CS..EExtended strand (participates in β ladder)trans-121131.1-173.9-53.4176.6000110.1V66 R67 L69 M77 I79 S96 I110 K111V66-L98 CarbonylContact C-O 3.53Å; V66-L98 WeakPolarHBondContact CA-O 3.31Å; R67-L98 PolarHBondContact N-O 3.08Å; R67-L98 PolarHBondContact O-N 3.29Å; R67-L98 VanDerWaalsContact O-O 3.11Å; L69-L98 HydrophobicContact CB-CD1 4.04Å; L69-L98 HydrophobicContact CD1-CD1 3.79Å; L69-L98 HydrophobicContact CG-CD1 3.86Å; M77-L98 HydrophobicContact CB-CD1 4.36Å; M77-L98 HydrophobicContact CG-CD1 4.32Å; I79-L98 HydrophobicContact CD1-CD2 4.34Å; I79-L98 HydrophobicContact CG1-CD2 4.44Å; S96-L98 PolarHBondContact O-N 2.86Å; L98-I110 HydrophobicContact CB-CG2 4.02Å; L98-I110 HydrophobicContact CD1-CG2 3.96Å; L98-I110 HydrophobicContact CG-CG2 4.39Å; L98-K111 CarbonylContact C-O 3.49Å; L98-K111 VanDerWaalsContact CA-O 3.25Å; L98-K111 WeakPolarHBondContact CA-O 3.08Å
99E97.6Very high95.9Very high40 Ų4051.4 Ų51.419%0.18728%0.281CS..EExtended strand (participates in β ladder)trans-84.1118.6163.8-174.2-178.2129.300108.4V64 R101 I110 K111 V113V64-E99 HydrophobicContact CG1-CG 3.42Å; V64-E99 VanDerWaalsContact CG1-CG 3.42Å; E99-R101 IonicContact OE1-CZ 2.64Å; E99-R101 IonicContact OE1-NE 2.93Å; E99-R101 PolarHBondContact OE1-NE 2.74Å; E99-R101 VanDerWaalsContact OE1-NE 3.08Å; E99-R101 IonicContact OE1-NH2 3.46Å; E99-R101 PolarHBondContact OE1-NH2 2.77Å; E99-I110 CarbonylContact O-C 3.52Å; E99-I110 WeakPolarHBondContact O-CA 3.12Å; E99-K111 HydrophobicContact CB-CB 4.44Å; E99-K111 PolarHBondContact N-O 2.87Å; E99-K111 PolarHBondContact O-N 2.83Å; E99-V113 HydrophobicContact CB-CG2 4.17Å
100I97.5Very high95.9Very high0 Ų043.3 Ų43.30%025%0.25CS..EExtended strand (participates in β ladder)trans-103.4117.5172.5-51.7176.5000106.9R65 R67 L69 V108 I110R65-I100 HydrophobicContact CB-CB 4.48Å; R65-I100 PolarHBondContact N-O 2.99Å; R65-I100 PolarHBondContact O-N 3.45Å; R67-I100 HydrophobicContact CB-CD1 4.18Å; R67-I100 HydrophobicContact CG-CD1 4.3Å; L69-I100 HydrophobicContact CD2-CD1 3.83Å; L69-I100 HydrophobicContact CG-CD1 4.29Å; I100-V108 HydrophobicContact CG2-CB 3.88Å; I100-V108 HydrophobicContact CG2-CG1 3.97Å; I100-V108 HydrophobicContact CG2-CG2 4.14Å; I100-I110 HydrophobicContact CG1-CG1 4.38Å; I100-I110 HydrophobicContact CG2-CG1 4.34Å
101R95.9Very high96Very high39 Ų3938.9 Ų38.915%0.14723%0.229CC..EExtended strand (participates in β ladder)trans-118.6133-177.7-178.5177.9-70.4-126.76.6110.7Y58 M59 G61 D63 V64 E99 V103 V108 A109Y58-R101 WeakPolarHBondContact O-CD 3.49Å; Y58-R101 PolarHBondContact O-NE 2.64Å; Y58-R101 PolarHBondContact O-NH1 2.75Å; M59-R101 VanDerWaalsContact C-NH1 3.27Å; M59-R101 PolarHBondContact O-NH1 2.82Å; G61-R101 WeakPolarHBondContact O-CD 3.42Å; D63-R101 WeakPolarHBondContact O-CA 3.43Å; V64-R101 HydrophobicContact CG2-CG 4.15Å; E99-R101 IonicContact OE1-CZ 2.64Å; E99-R101 IonicContact OE1-NE 2.93Å; E99-R101 PolarHBondContact OE1-NE 2.74Å; E99-R101 VanDerWaalsContact OE1-NE 3.08Å; E99-R101 IonicContact OE1-NH2 3.46Å; E99-R101 PolarHBondContact OE1-NH2 2.77Å; R101-V103 PolarHBondContact O-N 2.91Å; R101-V108 CarbonylContact O-C 3.52Å; R101-V108 WeakPolarHBondContact O-CA 2.87Å; R101-V108 WeakPolarHBondContact O-CB 2.86Å; R101-A109 PolarHBondContact N-O 3.07Å; R101-A109 PolarHBondContact O-N 2.05Å
102T94.9Very high96.5Very high42 Ų4236.3 Ų36.326%0.25821%0.208SC..EExtended strand (participates in β ladder)trans-75.1120.8175.7-57.90000110.4G62 D63 A104G62-T102 WeakPolarHBondContact CA-O 3.31Å; D63-T102 PolarHBondContact O-N 3.36Å; T102-A104 VanDerWaalsContact CG2-O 3.28Å; T102-A104 WeakPolarHBondContact CG2-O 3.35Å
103V93Very high96.7Very high28 Ų2833.1 Ų33.117%0.1719%0.193CC..EExtended strand (participates in β ladder)trans-96.8-36177.8-178.70000110.7Y58 R101 V107 A109Y58-V103 HydrophobicContact CD1-CG2 3.88Å; Y58-V103 HydrophobicContact CE1-CG1 4.1Å; Y58-V103 HydrophobicContact CE1-CG2 3.86Å; R101-V103 PolarHBondContact O-N 2.91Å; V103-V107 PolarHBondContact N-O 3.17Å; V103-A109 HydrophobicContact CG2-CB 3.69Å
104A92.6Very high96.8Very high42 Ų4237 Ų3735%0.34721%0.21SC..EExtended strand (participates in β ladder)trans-153.6174.2172.400000108.9T102 G106 V107T102-A104 VanDerWaalsContact CG2-O 3.28Å; T102-A104 WeakPolarHBondContact CG2-O 3.35Å; A104-G106 PolarHBondContact O-N 3.03Å; A104-G106 VanDerWaalsContact O-N 3.08Å; A104-V107 HydrophobicContact CB-CB 4.19Å; A104-V107 HydrophobicContact CB-CG2 4.48Å; A104-V107 PolarHBondContact N-O 3.18Å; A104-V107 PolarHBondContact O-N 2.81Å
105V92.4Very high96.9Very high150 Ų15033 Ų3391%0.90919%0.189SC*.THydrogen-bonded Turntrans-54.4119.5176-179.60000110V107V105-V107 PolarHBondContact O-N 3.01Å
106G94.8Very high96.8Very high37 Ų3734.1 Ų34.138%0.38120%0.197SC..THydrogen-bonded Turntrans70.44.6-178.400000115.4A104 I140 E141A104-G106 PolarHBondContact O-N 3.03Å; A104-G106 VanDerWaalsContact O-N 3.08Å; G106-I140 CarbonylContact O-C 3.53Å; G106-I140 VanDerWaalsContact O-CA 3.31Å; G106-I140 WeakPolarHBondContact O-CA 3.23Å; G106-E141 PolarHBondContact O-N 3.4Å
107V97.1Very high96.9Very high26 Ų2636.3 Ų36.316%0.15821%0.205CC..EExtended strand (participates in β ladder)trans-119.9127.5-179.8-176.60000110.2V103 A104 V105 N138 F139 I140 A154V103-V107 PolarHBondContact N-O 3.17Å; A104-V107 HydrophobicContact CB-CB 4.19Å; A104-V107 HydrophobicContact CB-CG2 4.48Å; A104-V107 PolarHBondContact N-O 3.18Å; A104-V107 PolarHBondContact O-N 2.81Å; V105-V107 PolarHBondContact O-N 3.01Å; V107-N138 HydrophobicContact CG1-CB 3.85Å; V107-F139 CarbonylContact C-O 3.47Å; V107-F139 VanDerWaalsContact CA-O 3.3Å; V107-F139 WeakPolarHBondContact CA-O 3.36Å; V107-I140 HydrophobicContact CG2-CG1 4.37Å; V107-A154 HydrophobicContact CG1-CB 4.47Å
108V97.5Very high96.9Very high2 Ų235.3 Ų35.31%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-122.8152.6-177.8-59.20000111.9I100 R101 I110 F139 E141 Y151I100-V108 HydrophobicContact CG2-CB 3.88Å; I100-V108 HydrophobicContact CG2-CG1 3.97Å; I100-V108 HydrophobicContact CG2-CG2 4.14Å; R101-V108 CarbonylContact O-C 3.52Å; R101-V108 WeakPolarHBondContact O-CA 2.87Å; R101-V108 WeakPolarHBondContact O-CB 2.86Å; V108-I110 HydrophobicContact CG2-CD1 4.38Å; V108-I110 HydrophobicContact CG2-CG1 4.18Å; V108-F139 HydrophobicContact CG2-CB 4.33Å; V108-F139 PolarHBondContact N-O 2.82Å; V108-F139 PolarHBondContact O-N 3.47Å; V108-E141 HydrophobicContact CG1-CB 4.13Å; V108-E141 WeakPolarHBondContact CG1-OE2 2.83Å; V108-E141 HydrophobicContact CG2-CB 4.07Å; V108-Y151 HydrophobicContact CG2-CD1 3.95Å; V108-Y151 HydrophobicContact CG2-CE1 3.98Å
109A97.8Very high96.9Very high1 Ų135.3 Ų35.31%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-106.6141.2159.500000108.5Y58 R101 V103 F118Y58-A109 HydrophobicContact CD1-CB 3.98Å; Y58-A109 HydrophobicContact CE1-CB 4.22Å; R101-A109 PolarHBondContact N-O 3.07Å; R101-A109 PolarHBondContact O-N 2.05Å; V103-A109 HydrophobicContact CG2-CB 3.69Å; A109-F118 HydrophobicContact CB-CD1 4.35Å
110I98.5Very high96.9Very high0 Ų033.4 Ų33.40%019%0.191CC..EExtended strand (participates in β ladder)trans-119.9121.3-177.7-58.1165.1000107.8L69 L98 E99 I100 V108 F118 L119 F139 Y151L69-I110 HydrophobicContact CD1-CD1 4.02Å; L69-I110 HydrophobicContact CD1-CG2 4.36Å; L98-I110 HydrophobicContact CB-CG2 4.02Å; L98-I110 HydrophobicContact CD1-CG2 3.96Å; L98-I110 HydrophobicContact CG-CG2 4.39Å; E99-I110 CarbonylContact O-C 3.52Å; E99-I110 WeakPolarHBondContact O-CA 3.12Å; I100-I110 HydrophobicContact CG1-CG1 4.38Å; I100-I110 HydrophobicContact CG2-CG1 4.34Å; V108-I110 HydrophobicContact CG2-CD1 4.38Å; V108-I110 HydrophobicContact CG2-CG1 4.18Å; I110-F118 CarbonylContact O-C 3.5Å; I110-F118 WeakPolarHBondContact O-CA 3.22Å; I110-L119 HydrophobicContact CB-CB 4.15Å; I110-L119 HydrophobicContact CB-CD2 4.46Å; I110-L119 HydrophobicContact CD1-CD2 4.09Å; I110-L119 HydrophobicContact CG2-CB 4.48Å; I110-L119 PolarHBondContact O-N 3.06Å; I110-F139 HydrophobicContact CD1-CD2 4.31Å; I110-Y151 HydrophobicContact CD1-CD1 3.87Å; I110-Y151 HydrophobicContact CD1-CE1 4.04Å; I110-Y151 HydrophobicContact CD1-CG 4.29Å
111K98.4Very high97Very high18 Ų1833.4 Ų33.48%0.07819%0.191CC..EExtended strand (participates in β ladder)trans-120.6133.6-177.8-171.3-171.6177-160.60110.4L98 E99 V113 E116 F118L98-K111 CarbonylContact C-O 3.49Å; L98-K111 VanDerWaalsContact CA-O 3.25Å; L98-K111 WeakPolarHBondContact CA-O 3.08Å; E99-K111 HydrophobicContact CB-CB 4.44Å; E99-K111 PolarHBondContact N-O 2.87Å; E99-K111 PolarHBondContact O-N 2.83Å; K111-V113 PolarHBondContact O-N 2.79Å; K111-E116 VanDerWaalsContact CE-CD 3.5Å; K111-E116 WeakPolarHBondContact CE-OE1 3.23Å; K111-E116 VanDerWaalsContact CE-OE2 3.31Å; K111-E116 WeakPolarHBondContact CE-OE2 3.32Å; K111-E116 IonicContact NZ-OE1 3.21Å; K111-E116 PolarHBondContact NZ-OE1 2.78Å; K111-E116 IonicContact NZ-OE2 3.01Å; K111-E116 PolarHBondContact NZ-OE2 2.73Å; K111-F118 HydrophobicContact CB-CD1 3.82Å; K111-F118 HydrophobicContact CB-CE1 3.88Å; K111-F118 HydrophobicContact CB-CG 4.35Å; K111-F118 HydrophobicContact CB-CZ 4.45Å; K111-F118 HydrophobicContact CD-CE1 4Å; K111-F118 HydrophobicContact CD-CE2 4.06Å; K111-F118 HydrophobicContact CD-CZ 3.74Å; K111-F118 HydrophobicContact CG-CD1 4.13Å; K111-F118 HydrophobicContact CG-CD2 4.35Å; K111-F118 HydrophobicContact CG-CE1 4.09Å; K111-F118 HydrophobicContact CG-CE2 4.3Å; K111-F118 HydrophobicContact CG-CG 4.27Å; K111-F118 HydrophobicContact CG-CZ 4.18Å
112G98.4Very high97.1Very high0 Ų033.7 Ų33.70%020%0.195CC..EExtended strand (participates in β ladder)trans-73.7122.2168.800000110.1E116 Y117G112-E116 VanDerWaalsContact O-CA 3.29Å; G112-E116 WeakPolarHBondContact O-CA 3.41Å; G112-E116 PolarHBondContact O-N 2.96Å; G112-Y117 PolarHBondContact N-O 2.73Å
113V97.8Very high97.3Very high60 Ų6039 Ų3936%0.36422%0.215SC..THydrogen-bonded Turntrans-64.4-50.1-176.6176.60000110.8V66 I97 E99 K111V66-V113 HydrophobicContact CG1-CG2 4.47Å; I97-V113 HydrophobicContact CG2-CB 4.17Å; I97-V113 HydrophobicContact CG2-CG2 3.9Å; I97-V113 PolarHBondContact O-N 2.96Å; E99-V113 HydrophobicContact CB-CG2 4.17Å; K111-V113 PolarHBondContact O-N 2.79Å
114E97.9Very high97.5Very high105 Ų10540.1 Ų40.149%0.49122%0.224SC..THydrogen-bonded Turntrans-68.8-38.9-179.3-179.165.1-161.600112.6N94 Y95N94-E114 HydrophobicContact CB-CB 4.26Å; N94-E114 HydrophobicContact CB-CG 4.11Å; Y95-E114 HydrophobicContact CD1-CB 3.99Å; Y95-E114 HydrophobicContact CD1-CG 3.72Å; Y95-E114 HydrophobicContact CE1-CB 4.25Å; Y95-E114 HydrophobicContact CE1-CG 3.53Å; Y95-E114 HydrophobicContact CG-CG 4.39Å
115S98.3Very high97.8Very high6 Ų638.1 Ų38.14%0.04221%0.207CC..THydrogen-bonded Turntrans-89.6-15-173.965.20000113.6I79 D80 Y117 K131I79-S115 WeakPolarHBondContact O-CB 3.27Å; I79-S115 PolarHBondContact O-OG 2.88Å; D80-S115 WeakPolarHBondContact O-CB 3.34Å; S115-Y117 WeakPolarHBondContact O-CD2 3.34Å; S115-Y117 PolarHBondContact O-N 3.38Å; S115-Y117 VanDerWaalsContact O-N 3.15Å; S115-K131 PolarHBondContact O-NZ 2.84Å
116E98Very high98Very high86 Ų8638.8 Ų38.840%0.40219%0.193SC..THydrogen-bonded Turntrans55.127.3-175.3-66.3-70.293.600113.1K111 G112 K131K111-E116 VanDerWaalsContact CE-CD 3.5Å; K111-E116 WeakPolarHBondContact CE-OE1 3.23Å; K111-E116 VanDerWaalsContact CE-OE2 3.31Å; K111-E116 WeakPolarHBondContact CE-OE2 3.32Å; K111-E116 IonicContact NZ-OE1 3.21Å; K111-E116 PolarHBondContact NZ-OE1 2.78Å; K111-E116 IonicContact NZ-OE2 3.01Å; K111-E116 PolarHBondContact NZ-OE2 2.73Å; G112-E116 VanDerWaalsContact O-CA 3.29Å; G112-E116 WeakPolarHBondContact O-CA 3.41Å; G112-E116 PolarHBondContact O-N 2.96Å; E116-K131 VanDerWaalsContact O-CD 3.23Å; E116-K131 WeakPolarHBondContact O-CD 3.42Å
117Y98.7Very high98.2Very high47 Ų4737.6 Ų37.618%0.18418%0.178CC..EExtended strand (participates in β ladder)trans-106131.3175.9-80.4-85.1000110.2I79 K81 G112 S115 G129 K131I79-Y117 HydrophobicContact CG2-CG 4.47Å; K81-Y117 WeakPolarHBondContact O-CE2 3.04Å; G112-Y117 PolarHBondContact N-O 2.73Å; S115-Y117 WeakPolarHBondContact O-CD2 3.34Å; S115-Y117 PolarHBondContact O-N 3.38Å; S115-Y117 VanDerWaalsContact O-N 3.15Å; Y117-G129 VanDerWaalsContact CD1-C 3.46Å; Y117-K131 HydrophobicContact CD1-CD 3.91Å; Y117-K131 HydrophobicContact CD1-CG 4.05Å; Y117-K131 HydrophobicContact CD2-CD 4.2Å; Y117-K131 HydrophobicContact CE1-CD 3.82Å; Y117-K131 HydrophobicContact CE1-CG 3.66Å; Y117-K131 HydrophobicContact CE2-CD 4.09Å; Y117-K131 VanDerWaalsContact CE2-CE 3.47Å; Y117-K131 HydrophobicContact CG-CD 4.11Å
118F98.6Very high98.3Very high12 Ų1238.9 Ų38.95%0.05318%0.18CC..EExtended strand (participates in β ladder)trans-73.6136.2165.7-65.9-92000110.3M59 A109 I110 K111 A120 G129 K130 K131 C133 C137M59-F118 HydrophobicContact CE-CE2 4.24Å; M59-F118 HydrophobicContact CE-CZ 3.92Å; M59-F118 HydrophobicContact SD-CZ 4.49Å; A109-F118 HydrophobicContact CB-CD1 4.35Å; I110-F118 CarbonylContact O-C 3.5Å; I110-F118 WeakPolarHBondContact O-CA 3.22Å; K111-F118 HydrophobicContact CB-CD1 3.82Å; K111-F118 HydrophobicContact CB-CE1 3.88Å; K111-F118 HydrophobicContact CB-CG 4.35Å; K111-F118 HydrophobicContact CB-CZ 4.45Å; K111-F118 HydrophobicContact CD-CE1 4Å; K111-F118 HydrophobicContact CD-CE2 4.06Å; K111-F118 HydrophobicContact CD-CZ 3.74Å; K111-F118 HydrophobicContact CG-CD1 4.13Å; K111-F118 HydrophobicContact CG-CD2 4.35Å; K111-F118 HydrophobicContact CG-CE1 4.09Å; K111-F118 HydrophobicContact CG-CE2 4.3Å; K111-F118 HydrophobicContact CG-CG 4.27Å; K111-F118 HydrophobicContact CG-CZ 4.18Å; F118-A120 PolarHBondContact O-N 2.83Å; F118-G129 CarbonylContact O-C 3.53Å; F118-G129 VanDerWaalsContact O-CA 3.26Å; F118-G129 WeakPolarHBondContact O-CA 3.5Å; F118-K130 PolarHBondContact N-O 3.01Å; F118-K130 PolarHBondContact O-N 2.66Å; F118-K131 WeakPolarHBondContact CD2-O 3.36Å; F118-C133 HydrophobicContact CB-CB 4.29Å; F118-C133 HydrophobicContact CD1-CB 3.91Å; F118-C133 HydrophobicContact CD2-CB 3.76Å; F118-C133 HydrophobicContact CE1-CB 4.12Å; F118-C133 HydrophobicContact CE2-CB 3.98Å; F118-C133 HydrophobicContact CG-CB 3.71Å; F118-C133 HydrophobicContact CZ-CB 4.14Å; F118-C137 HydrophobicContact CB-CB 4.23Å
119L98.8Very high98.4Very high0 Ų039.3 Ų39.30%019%0.186CC..EExtended strand (participates in β ladder)trans-62.2132.1164-175.862.8000108.3M77 I79 V85 I110 L127 C137 F139 V165M77-L119 HydrophobicContact SD-CD1 4.28Å; M77-L119 HydrophobicContact SD-CD2 3.81Å; I79-L119 HydrophobicContact CD1-CB 3.93Å; I79-L119 HydrophobicContact CD1-CD1 4.45Å; V85-L119 HydrophobicContact CB-CD1 4.38Å; V85-L119 HydrophobicContact CG1-CD1 3.84Å; V85-L119 HydrophobicContact CG2-CD1 3.62Å; I110-L119 HydrophobicContact CB-CB 4.15Å; I110-L119 HydrophobicContact CB-CD2 4.46Å; I110-L119 HydrophobicContact CD1-CD2 4.09Å; I110-L119 HydrophobicContact CG2-CB 4.48Å; I110-L119 PolarHBondContact O-N 3.06Å; L119-L127 HydrophobicContact CD1-CD2 4.19Å; L119-C137 VanDerWaalsContact O-CA 3.31Å; L119-C137 WeakPolarHBondContact O-CA 3.29Å; L119-C137 VanDerWaalsContact O-CB 3.22Å; L119-C137 WeakPolarHBondContact O-CB 3.36Å; L119-F139 HydrophobicContact CB-CE2 4.03Å; L119-F139 HydrophobicContact CB-CZ 4.47Å; L119-F139 HydrophobicContact CD2-CE2 3.95Å; L119-F139 HydrophobicContact CD2-CZ 4.09Å; L119-F139 HydrophobicContact CG-CE2 3.81Å; L119-F139 HydrophobicContact CG-CZ 3.83Å; L119-F139 VanDerWaalsContact O-CE2 3.32Å; L119-F139 WeakPolarHBondContact O-CE2 3.33Å; L119-V165 HydrophobicContact CD2-CG1 4.02Å; L119-V165 HydrophobicContact CD2-CG2 3.94Å
120A98.7Very high98.3Very high0 Ų042.3 Ų42.30%020%0.198CC..EExtended strand (participates in β ladder)trans-140.9150.9179.400000110.8F118 L127 Y128 K130 D136F118-A120 PolarHBondContact O-N 2.83Å; A120-L127 WeakPolarHBondContact O-CA 3.36Å; A120-Y128 HydrophobicContact CB-CD1 4.04Å; A120-Y128 HydrophobicContact CB-CD2 4.47Å; A120-Y128 HydrophobicContact CB-CE1 3.61Å; A120-Y128 HydrophobicContact CB-CE2 4.1Å; A120-Y128 HydrophobicContact CB-CG 4.46Å; A120-Y128 PolarHBondContact N-O 3.08Å; A120-Y128 WeakPolarHBondContact O-CD1 3.45Å; A120-Y128 PolarHBondContact O-N 3.15Å; A120-K130 HydrophobicContact CB-CB 4.32Å; A120-D136 WeakPolarHBondContact CA-O 3.19Å; A120-D136 HydrophobicContact CB-CB 4.08Å
121M98.8Very high98.2Very high0 Ų047.2 Ų47.20%022%0.22CC..EExtended strand (participates in β ladder)trans-123.4129171.1-167.7-177.9-63.300109.9L127 D136 F139 W156 M163 F164M121-L127 HydrophobicContact CB-CD2 3.93Å; M121-L127 HydrophobicContact CE-CD2 3.64Å; M121-L127 HydrophobicContact CE-CG 4.25Å; M121-L127 HydrophobicContact CG-CD2 4.21Å; M121-D136 PolarHBondContact N-O 3.04Å; M121-D136 WeakPolarHBondContact O-CB 3.31Å; M121-D136 VanDerWaalsContact O-CG 3.3Å; M121-F139 HydrophobicContact CB-CE1 4.11Å; M121-F139 HydrophobicContact CB-CZ 4.42Å; M121-W156 PolarHBondContact O-NE1 3.22Å; M121-M163 HydrophobicContact CE-CB 4.4Å; M121-M163 HydrophobicContact SD-CB 3.62Å; M121-M163 HydrophobicContact SD-CE 4.16Å; M121-F164 WeakPolarHBondContact CE-O 3.31Å
122N98.3Very high98Very high45 Ų4551.8 Ų51.824%0.24125%0.249CC..  trans-90.6171.6176.268.822.8000112.2S124 G125 R126 Y128N122-S124 PolarHBondContact O-N 3.08Å; N122-S124 WeakPolarHBondContact OD1-CA 3.42Å; N122-S124 WeakPolarHBondContact OD1-CB 3.43Å; N122-S124 PolarHBondContact OD1-N 3.29Å; N122-S124 PolarHBondContact OD1-OG 3.5Å; N122-G125 WeakPolarHBondContact O-CA 3.35Å; N122-G125 PolarHBondContact O-N 3.38Å; N122-G125 PolarHBondContact OD1-N 3.38Å; N122-R126 PolarHBondContact N-O 3.34Å; N122-R126 PolarHBondContact OD1-N 3.35Å; N122-Y128 HydrophobicContact CB-CD1 4.5Å; N122-Y128 HydrophobicContact CB-CE1 3.82Å
123K98.1Very high97.8Very high154 Ų15452.5 Ų52.567%0.6725%0.254SS*.THydrogen-bonded Turntrans-52.1-27176.5-171.6175.4-176.91770114.9G125 W156K123-G125 PolarHBondContact O-N 3.45Å; K123-W156 HydrophobicContact CB-CD2 3.9Å; K123-W156 HydrophobicContact CB-CE3 3.74Å; K123-W156 HydrophobicContact CB-CH2 3.88Å; K123-W156 HydrophobicContact CB-CZ2 4.02Å; K123-W156 HydrophobicContact CB-CZ3 3.75Å; K123-W156 HydrophobicContact CD-CE3 4.32Å; K123-W156 HydrophobicContact CD-CH2 4.17Å; K123-W156 HydrophobicContact CD-CZ3 3.75Å; K123-W156 HydrophobicContact CG-CD2 4.37Å; K123-W156 HydrophobicContact CG-CE3 3.73Å; K123-W156 HydrophobicContact CG-CH2 4.24Å; K123-W156 HydrophobicContact CG-CZ3 3.68Å
124S97.9Very high97.6Very high51 Ų5152.5 Ų52.536%0.35725%0.252SS..THydrogen-bonded Turntrans-76.9-9.1177.181.10000113.4N122 K177N122-S124 PolarHBondContact O-N 3.08Å; N122-S124 WeakPolarHBondContact OD1-CA 3.42Å; N122-S124 WeakPolarHBondContact OD1-CB 3.43Å; N122-S124 PolarHBondContact OD1-N 3.29Å; N122-S124 PolarHBondContact OD1-OG 3.5Å; S124-K177 WeakPolarHBondContact O-CE 3.49Å
125G98.2Very high97.5Very high0 Ų051.2 Ų51.20%025%0.246CC..  trans81.718.5-17300000113N122 K123 K175 G176N122-G125 WeakPolarHBondContact O-CA 3.35Å; N122-G125 PolarHBondContact O-N 3.38Å; N122-G125 PolarHBondContact OD1-N 3.38Å; K123-G125 PolarHBondContact O-N 3.45Å; G125-K175 CarbonylContact O-C 3.55Å; G125-K175 WeakPolarHBondContact O-CA 3.21Å; G125-G176 PolarHBondContact O-N 3.27Å
126R98.5Very high97.5Very high164 Ų16451.6 Ų51.662%0.61925%0.247SC*.  trans-88.9128.3178.6176.5175.8166.5140.3-5.4109.6N122N122-R126 PolarHBondContact N-O 3.34Å; N122-R126 PolarHBondContact OD1-N 3.35Å
127L98.7Very high97.5Very high12 Ų1247.5 Ų47.56%0.06323%0.228CC..EExtended strand (participates in β ladder)trans-76.8137.9168.7-69.8177.1000111.4V85 L119 A120 M121 V165 P173V85-L127 HydrophobicContact CB-CB 4.41Å; V85-L127 HydrophobicContact CG1-CB 4.49Å; V85-L127 HydrophobicContact CG2-CB 4.46Å; L119-L127 HydrophobicContact CD1-CD2 4.19Å; A120-L127 WeakPolarHBondContact O-CA 3.36Å; M121-L127 HydrophobicContact CB-CD2 3.93Å; M121-L127 HydrophobicContact CE-CD2 3.64Å; M121-L127 HydrophobicContact CE-CG 4.25Å; M121-L127 HydrophobicContact CG-CD2 4.21Å; L127-V165 HydrophobicContact CD1-CB 4.45Å; L127-V165 HydrophobicContact CD1-CG1 4.02Å; L127-V165 HydrophobicContact CD2-CG2 4.17Å; L127-P173 HydrophobicContact CB-CB 4.23Å; L127-P173 HydrophobicContact CD1-CB 3.94Å
128Y98.6Very high97.4Very high53 Ų5346.5 Ų46.521%0.20823%0.226CC..EExtended strand (participates in β ladder)trans-156.1163.417969.5-71.7000110.3A120 N122 K130 D136A120-Y128 HydrophobicContact CB-CD1 4.04Å; A120-Y128 HydrophobicContact CB-CD2 4.47Å; A120-Y128 HydrophobicContact CB-CE1 3.61Å; A120-Y128 HydrophobicContact CB-CE2 4.1Å; A120-Y128 HydrophobicContact CB-CG 4.46Å; A120-Y128 PolarHBondContact N-O 3.08Å; A120-Y128 WeakPolarHBondContact O-CD1 3.45Å; A120-Y128 PolarHBondContact O-N 3.15Å; N122-Y128 HydrophobicContact CB-CD1 4.5Å; N122-Y128 HydrophobicContact CB-CE1 3.82Å; Y128-K130 HydrophobicContact CD2-CB 4.44Å; Y128-K130 HydrophobicContact CE2-CB 3.95Å; Y128-K130 HydrophobicContact CE2-CD 4.14Å; Y128-K130 HydrophobicContact CE2-CG 4.29Å; Y128-D136 PolarHBondContact OH-OD2 2.61Å
129G98.6Very high97.5Very high12 Ų1246 Ų4612%0.12422%0.224CC..EExtended strand (participates in β ladder)trans-93138.7170.800000110.7G83 Y117 F118G83-G129 WeakPolarHBondContact O-CA 3.29Å; G83-G129 PolarHBondContact O-N 3.34Å; Y117-G129 VanDerWaalsContact CD1-C 3.46Å; F118-G129 CarbonylContact O-C 3.53Å; F118-G129 VanDerWaalsContact O-CA 3.26Å; F118-G129 WeakPolarHBondContact O-CA 3.5Å
130K97.3Very high97.5Very high63 Ų6348.4 Ų48.427%0.27424%0.237SC..EExtended strand (participates in β ladder)trans-131.2141.3174.3-164.3176.7-175.8176.70111.8F118 A120 Y128 V132 N134F118-K130 PolarHBondContact N-O 3.01Å; F118-K130 PolarHBondContact O-N 2.66Å; A120-K130 HydrophobicContact CB-CB 4.32Å; Y128-K130 HydrophobicContact CD2-CB 4.44Å; Y128-K130 HydrophobicContact CE2-CB 3.95Å; Y128-K130 HydrophobicContact CE2-CD 4.14Å; Y128-K130 HydrophobicContact CE2-CG 4.29Å; K130-V132 VanDerWaalsContact CD-O 3.23Å; K130-V132 WeakPolarHBondContact CD-O 3.26Å; K130-V132 WeakPolarHBondContact CE-O 3.35Å; K130-V132 WeakPolarHBondContact CG-O 3.4Å; K130-N134 PolarHBondContact NZ-ND2 2.84Å
131K95.8Very high97.4Very high103 Ų10349.9 Ų49.945%0.44824%0.243SC..SBendtrans-75.5-47.1-179.6-73.7-59.2-160.7175.70112.8S115 E116 Y117 F118S115-K131 PolarHBondContact O-NZ 2.84Å; E116-K131 VanDerWaalsContact O-CD 3.23Å; E116-K131 WeakPolarHBondContact O-CD 3.42Å; Y117-K131 HydrophobicContact CD1-CD 3.91Å; Y117-K131 HydrophobicContact CD1-CG 4.05Å; Y117-K131 HydrophobicContact CD2-CD 4.2Å; Y117-K131 HydrophobicContact CE1-CD 3.82Å; Y117-K131 HydrophobicContact CE1-CG 3.66Å; Y117-K131 HydrophobicContact CE2-CD 4.09Å; Y117-K131 VanDerWaalsContact CE2-CE 3.47Å; Y117-K131 HydrophobicContact CG-CD 4.11Å; F118-K131 WeakPolarHBondContact CD2-O 3.36Å
132V94.6Very high97.4Very high114 Ų11453.2 Ų53.269%0.69126%0.261SS*.SBendtrans-100.2117.4178.2-176.90000108.4K130K130-V132 VanDerWaalsContact CD-O 3.23Å; K130-V132 WeakPolarHBondContact CD-O 3.26Å; K130-V132 WeakPolarHBondContact CE-O 3.35Å; K130-V132 WeakPolarHBondContact CG-O 3.4Å
133C93.7Very high97.4Very high16 Ų1657.3 Ų57.311%0.10828%0.281CS..  trans-77.5147.9-176.6-170.10000112.4Y58 F118 C137Y58-C133 HydrophobicContact CD1-CB 4.3Å; Y58-C133 HydrophobicContact CD2-CB 3.7Å; Y58-C133 HydrophobicContact CE1-CB 4.43Å; Y58-C133 WeakPolarHBondContact CE1-SG 3.35Å; Y58-C133 HydrophobicContact CE2-CB 3.85Å; Y58-C133 HydrophobicContact CG-CB 3.93Å; F118-C133 HydrophobicContact CB-CB 4.29Å; F118-C133 HydrophobicContact CD1-CB 3.91Å; F118-C133 HydrophobicContact CD2-CB 3.76Å; F118-C133 HydrophobicContact CE1-CB 4.12Å; F118-C133 HydrophobicContact CE2-CB 3.98Å; F118-C133 HydrophobicContact CG-CB 3.71Å; F118-C133 HydrophobicContact CZ-CB 4.14Å; C133-C137 WeakPolarHBondContact CA-SG 3.29Å; C133-C137 HydrophobicContact CB-CB 4.35Å; C133-C137 WeakPolarHBondContact CB-SG 3.37Å; C133-C137 WeakPolarHBondContact SG-CB 3.39Å; C133-C137 CovalentContact SG-SG 2.05Å; C133-C137 PolarHBondContact SG-SG 2.78Å
134N93.4Very high97.3Very high60 Ų6051.2 Ų51.232%0.32126%0.255SS..  trans-147.2-167.4171.268.3-4.2000108.1Y58 K130 D136 C137Y58-N134 PolarHBondContact OH-O 2.86Å; Y58-N134 VanDerWaalsContact OH-O 3.05Å; K130-N134 PolarHBondContact NZ-ND2 2.84Å; N134-D136 PolarHBondContact O-N 3.49Å; N134-D136 WeakPolarHBondContact OD1-CB 3.31Å; N134-D136 PolarHBondContact OD1-N 2.94Å; N134-D136 VanDerWaalsContact OD1-N 3.14Å; N134-C137 PolarHBondContact N-SG 3.15Å; N134-C137 VanDerWaalsContact N-SG 3.37Å; N134-C137 PolarHBondContact O-N 3.47Å; N134-C137 PolarHBondContact O-SG 3.01Å
135E95.7Very high96.9Very high77 Ų7758.2 Ų58.236%0.3628%0.282SS..G310 helixtrans-54.7-20.4-178.4-57.7166.1175.300115C137 N138 K155E135-C137 PolarHBondContact O-N 2.76Å; E135-N138 PolarHBondContact O-N 2.84Å; E135-K155 HydrophobicContact CB-CD 3.67Å; E135-K155 WeakPolarHBondContact OE2-CD 3.23Å; E135-K155 WeakPolarHBondContact OE2-CE 3.44Å; E135-K155 IonicContact OE2-NZ 3.47Å; E135-K155 PolarHBondContact OE2-NZ 2.83Å
136D98.1Very high96.5Very high14 Ų1460.8 Ų60.88%0.07530%0.296CS..G310 helixtrans-67.4-21.9174.8-75.27.4000113.1A120 M121 Y128 N134 W156A120-D136 WeakPolarHBondContact CA-O 3.19Å; A120-D136 HydrophobicContact CB-CB 4.08Å; M121-D136 PolarHBondContact N-O 3.04Å; M121-D136 WeakPolarHBondContact O-CB 3.31Å; M121-D136 VanDerWaalsContact O-CG 3.3Å; Y128-D136 PolarHBondContact OH-OD2 2.61Å; N134-D136 PolarHBondContact O-N 3.49Å; N134-D136 WeakPolarHBondContact OD1-CB 3.31Å; N134-D136 PolarHBondContact OD1-N 2.94Å; N134-D136 VanDerWaalsContact OD1-N 3.14Å; D136-W156 PolarHBondContact OD1-NE1 3.37Å
137C98.2Very high96.2Very high0 Ų060 Ų600%030%0.299CS..G310 helixtrans-90-4.9176.6-16.40000113.8F118 L119 C133 N134 E135 F139F118-C137 HydrophobicContact CB-CB 4.23Å; L119-C137 VanDerWaalsContact O-CA 3.31Å; L119-C137 WeakPolarHBondContact O-CA 3.29Å; L119-C137 VanDerWaalsContact O-CB 3.22Å; L119-C137 WeakPolarHBondContact O-CB 3.36Å; C133-C137 WeakPolarHBondContact CA-SG 3.29Å; C133-C137 HydrophobicContact CB-CB 4.35Å; C133-C137 WeakPolarHBondContact CB-SG 3.37Å; C133-C137 WeakPolarHBondContact SG-CB 3.39Å; C133-C137 CovalentContact SG-SG 2.05Å; C133-C137 PolarHBondContact SG-SG 2.78Å; N134-C137 PolarHBondContact N-SG 3.15Å; N134-C137 VanDerWaalsContact N-SG 3.37Å; N134-C137 PolarHBondContact O-N 3.47Å; N134-C137 PolarHBondContact O-SG 3.01Å; E135-C137 PolarHBondContact O-N 2.76Å; C137-F139 WeakPolarHBondContact O-CD2 3.26Å; C137-F139 VanDerWaalsContact O-CE2 3.23Å; C137-F139 WeakPolarHBondContact O-CE2 3.35Å; C137-F139 PolarHBondContact O-N 2.83Å
138N97.9Very high96.2Very high27 Ų2761.7 Ų61.714%0.14431%0.305CS..  trans-79.6117.8-178.1-67.9-4.3000108.5Y58 V107 E135 A154Y58-N138 VanDerWaalsContact CE1-OD1 3.23Å; Y58-N138 WeakPolarHBondContact CE1-OD1 3.2Å; Y58-N138 PolarHBondContact OH-ND2 3.2Å; Y58-N138 PolarHBondContact OH-OD1 2.84Å; V107-N138 HydrophobicContact CG1-CB 3.85Å; E135-N138 PolarHBondContact O-N 2.84Å; N138-A154 HydrophobicContact CB-CB 3.84Å; N138-A154 VanDerWaalsContact O-CB 3.31Å; N138-A154 WeakPolarHBondContact O-CB 3.5Å; N138-A154 PolarHBondContact O-N 3.49Å
139F98.8Very high96.2Very high0 Ų059.8 Ų59.80%030%0.299CS..EExtended strand (participates in β ladder)trans-117.4132.6176.1-59.4-79.1000110.9V107 V108 I110 L119 M121 C137 E141 Y151 A152 V165V107-F139 CarbonylContact C-O 3.47Å; V107-F139 VanDerWaalsContact CA-O 3.3Å; V107-F139 WeakPolarHBondContact CA-O 3.36Å; V108-F139 HydrophobicContact CG2-CB 4.33Å; V108-F139 PolarHBondContact N-O 2.82Å; V108-F139 PolarHBondContact O-N 3.47Å; I110-F139 HydrophobicContact CD1-CD2 4.31Å; L119-F139 HydrophobicContact CB-CE2 4.03Å; L119-F139 HydrophobicContact CB-CZ 4.47Å; L119-F139 HydrophobicContact CD2-CE2 3.95Å; L119-F139 HydrophobicContact CD2-CZ 4.09Å; L119-F139 HydrophobicContact CG-CE2 3.81Å; L119-F139 HydrophobicContact CG-CZ 3.83Å; L119-F139 VanDerWaalsContact O-CE2 3.32Å; L119-F139 WeakPolarHBondContact O-CE2 3.33Å; M121-F139 HydrophobicContact CB-CE1 4.11Å; M121-F139 HydrophobicContact CB-CZ 4.42Å; C137-F139 WeakPolarHBondContact O-CD2 3.26Å; C137-F139 VanDerWaalsContact O-CE2 3.23Å; C137-F139 WeakPolarHBondContact O-CE2 3.35Å; C137-F139 PolarHBondContact O-N 2.83Å; F139-E141 PolarHBondContact O-N 3.45Å; F139-Y151 HydrophobicContact CB-CD1 4.44Å; F139-A152 CarbonylContact C-O 3.52Å; F139-A152 WeakPolarHBondContact CA-O 3.11Å; F139-V165 HydrophobicContact CD1-CG2 3.63Å; F139-V165 HydrophobicContact CE1-CG2 3.48Å; F139-V165 VanDerWaalsContact CE1-CG2 3.48Å; F139-V165 HydrophobicContact CG-CG2 4.32Å; F139-V165 HydrophobicContact CZ-CG2 4.07Å
140I98.7Very high96.2Very high52 Ų5259.3 Ų59.327%0.26729%0.293SS..EExtended strand (participates in β ladder)trans-74.4115.5169.2-56.6171.2000107G106 V107 L142 Y151 A152 A154G106-I140 CarbonylContact O-C 3.53Å; G106-I140 VanDerWaalsContact O-CA 3.31Å; G106-I140 WeakPolarHBondContact O-CA 3.23Å; V107-I140 HydrophobicContact CG2-CG1 4.37Å; I140-L142 HydrophobicContact CG2-CD2 4.33Å; I140-L142 HydrophobicContact CG2-CG 4.12Å; I140-Y151 VanDerWaalsContact O-CA 3.32Å; I140-Y151 WeakPolarHBondContact O-CA 3.25Å; I140-A152 HydrophobicContact CB-CB 4.48Å; I140-A152 PolarHBondContact N-O 2.73Å; I140-A152 PolarHBondContact O-N 3.45Å; I140-A154 HydrophobicContact CD1-CB 4.43Å; I140-A154 HydrophobicContact CG1-CB 3.95Å
141E98.6Very high96.3Very high30 Ų3056.3 Ų56.314%0.1428%0.28CS..EExtended strand (participates in β ladder)trans-91.8121.8175.6179.2178.1-142.100109.1R65 G106 V108 F139 N149 T150 Y151R65-E141 IonicContact CZ-OE2 3.71Å; R65-E141 IonicContact NH1-OE1 2.76Å; R65-E141 PolarHBondContact NH1-OE1 2.9Å; R65-E141 IonicContact NH1-OE2 3.29Å; R65-E141 PolarHBondContact NH1-OE2 2.92Å; R65-E141 IonicContact NH2-OE1 3.72Å; R65-E141 IonicContact NH2-OE2 3.08Å; R65-E141 PolarHBondContact NH2-OE2 2.84Å; G106-E141 PolarHBondContact O-N 3.4Å; V108-E141 HydrophobicContact CG1-CB 4.13Å; V108-E141 WeakPolarHBondContact CG1-OE2 2.83Å; V108-E141 HydrophobicContact CG2-CB 4.07Å; F139-E141 PolarHBondContact O-N 3.45Å; E141-N149 HydrophobicContact CG-CB 4.48Å; E141-N149 PolarHBondContact OE1-ND2 2.74Å; E141-T150 WeakPolarHBondContact CA-O 3.35Å; E141-Y151 HydrophobicContact CB-CD1 4.04Å; E141-Y151 HydrophobicContact CB-CE1 3.88Å; E141-Y151 HydrophobicContact CG-CD1 4.22Å; E141-Y151 HydrophobicContact CG-CE1 3.63Å; E141-Y151 PolarHBondContact OE1-OH 2.9Å; E141-Y151 VanDerWaalsContact OE1-OH 3.1Å
142L98.2Very high96.4Very high70 Ų7051.5 Ų51.537%0.36626%0.259SS..EExtended strand (participates in β ladder)trans-127137.1174-64.3177.2000110.2I140 N149 T150I140-L142 HydrophobicContact CG2-CD2 4.33Å; I140-L142 HydrophobicContact CG2-CG 4.12Å; L142-N149 CarbonylContact O-C 3.41Å; L142-N149 WeakPolarHBondContact O-CA 3.38Å; L142-T150 PolarHBondContact N-O 2.83Å; L142-T150 VanDerWaalsContact N-O 3.11Å; L142-T150 PolarHBondContact O-N 3.22Å
143I97.4Very high96.6Very high131 Ų13146.2 Ų46.267%0.67223%0.228SC*.EExtended strand (participates in β ladder)trans-83.8125.6169.8-54.6173.8000107.7
144E95.6Very high96.8Very high26 Ų2647.7 Ų47.712%0.12124%0.241CC..  trans-86.3160.5176.8-57.5-55.8154.200111.5N146 H147 Y148 T150 K181E144-N146 PolarHBondContact O-N 3.48Å; E144-H147 PolarHBondContact O-N 2.82Å; E144-Y148 VanDerWaalsContact CB-O 3.26Å; E144-Y148 WeakPolarHBondContact CB-O 3.38Å; E144-Y148 WeakPolarHBondContact CG-O 3.45Å; E144-Y148 PolarHBondContact N-O 3.41Å; E144-T150 HydrophobicContact CG-CG2 3.72Å; E144-T150 WeakPolarHBondContact OE1-CB 3.48Å; E144-T150 WeakPolarHBondContact OE1-CG2 3.4Å; E144-T150 PolarHBondContact OE1-OG1 2.83Å; E144-K181 WeakPolarHBondContact OE1-CE 3.36Å; E144-K181 IonicContact OE1-NZ 2.66Å; E144-K181 WeakPolarHBondContact OE2-CE 3.37Å; E144-K181 IonicContact OE2-NZ 3.72Å; E144-K181 PolarHBondContact OE2-NZ 3.43Å
145E89.7Confident97Very high198 Ų19849 Ų4993%0.92524%0.243SC*.THydrogen-bonded Turntrans-55.6-24.4177.2-62.4175.9176.700113.5H147E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 2.8Å
146N89.8Confident97.2Very high54 Ų5447.8 Ų47.829%0.28924%0.236SC..THydrogen-bonded Turntrans-89.411.7177.965.427.9000113.8R72 E144 Y148 H187R72-N146 PolarHBondContact NH1-ND2 3.35Å; E144-N146 PolarHBondContact O-N 3.48Å; N146-Y148 WeakPolarHBondContact O-CD2 3.42Å; N146-Y148 PolarHBondContact O-N 2.87Å; N146-Y148 VanDerWaalsContact OD1-CB 3.31Å; N146-Y148 WeakPolarHBondContact OD1-CB 3.2Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.32Å; N146-Y148 PolarHBondContact OD1-N 3.21Å; N146-Y148 VanDerWaalsContact OD1-N 3.08Å; N146-H187 PolarHBondContact ND2-CE1 2.97Å; N146-H187 PolarHBondContact ND2-ND1 3.4Å
147H93.1Very high97.2Very high149 Ų14951.1 Ų51.169%0.6926%0.257SS*.SBendtrans67.68.7-179.8-50.479.6000115.6E144 E145E144-H147 PolarHBondContact O-N 2.82Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 2.8Å
148Y98.1Very high97.2Very high47 Ų4754 Ų5418%0.18427%0.27CS..  trans-88.9157.4167-71.5-107.2000110R72 E144 N146 H187 L189R72-Y148 HydrophobicContact CB-CD1 4.13Å; R72-Y148 HydrophobicContact CB-CE1 3.69Å; R72-Y148 HydrophobicContact CG-CE1 3.98Å; E144-Y148 VanDerWaalsContact CB-O 3.26Å; E144-Y148 WeakPolarHBondContact CB-O 3.38Å; E144-Y148 WeakPolarHBondContact CG-O 3.45Å; E144-Y148 PolarHBondContact N-O 3.41Å; N146-Y148 WeakPolarHBondContact O-CD2 3.42Å; N146-Y148 PolarHBondContact O-N 2.87Å; N146-Y148 VanDerWaalsContact OD1-CB 3.31Å; N146-Y148 WeakPolarHBondContact OD1-CB 3.2Å; N146-Y148 WeakPolarHBondContact OD1-CD2 3.32Å; N146-Y148 PolarHBondContact OD1-N 3.21Å; N146-Y148 VanDerWaalsContact OD1-N 3.08Å; Y148-H187 HydrophobicContact CD1-CB 3.84Å; Y148-H187 HydrophobicContact CG-CB 3.89Å; Y148-L189 HydrophobicContact CD1-CB 4.03Å; Y148-L189 HydrophobicContact CE1-CB 3.92Å
149N98.5Very high97.1Very high13 Ų1361.3 Ų61.37%0.0730%0.301CS..EExtended strand (participates in β ladder)trans-96.7148.4171.8-62.69000110.5E141 L142 Y151 F188E141-N149 HydrophobicContact CG-CB 4.48Å; E141-N149 PolarHBondContact OE1-ND2 2.74Å; L142-N149 CarbonylContact O-C 3.41Å; L142-N149 WeakPolarHBondContact O-CA 3.38Å; N149-Y151 HydrophobicContact CB-CE2 3.9Å; N149-F188 PolarHBondContact N-O 2.92Å; N149-F188 PolarHBondContact O-N 3.23Å
150T98.8Very high97Very high1 Ų164.8 Ų64.81%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-109.5154.116258.50000110.2E141 L142 E144 K181E141-T150 WeakPolarHBondContact CA-O 3.35Å; L142-T150 PolarHBondContact N-O 2.83Å; L142-T150 VanDerWaalsContact N-O 3.11Å; L142-T150 PolarHBondContact O-N 3.22Å; E144-T150 HydrophobicContact CG-CG2 3.72Å; E144-T150 WeakPolarHBondContact OE1-CB 3.48Å; E144-T150 WeakPolarHBondContact OE1-CG2 3.4Å; E144-T150 PolarHBondContact OE1-OG1 2.83Å; T150-K181 HydrophobicContact CG2-CG 4.36Å
151Y98.9Very high96.9Very high0 Ų069.5 Ų69.50%036%0.355CS..EExtended strand (participates in β ladder)trans-131.4101.1178.5-59.7-87.1000108.9L69 V108 I110 F139 I140 E141 N149 F164 V165 F188L69-Y151 HydrophobicContact CD1-CE2 4.21Å; L69-Y151 HydrophobicContact CD2-CE2 4.04Å; L69-Y151 WeakPolarHBondContact CD2-OH 3.39Å; V108-Y151 HydrophobicContact CG2-CD1 3.95Å; V108-Y151 HydrophobicContact CG2-CE1 3.98Å; I110-Y151 HydrophobicContact CD1-CD1 3.87Å; I110-Y151 HydrophobicContact CD1-CE1 4.04Å; I110-Y151 HydrophobicContact CD1-CG 4.29Å; F139-Y151 HydrophobicContact CB-CD1 4.44Å; I140-Y151 VanDerWaalsContact O-CA 3.32Å; I140-Y151 WeakPolarHBondContact O-CA 3.25Å; E141-Y151 HydrophobicContact CB-CD1 4.04Å; E141-Y151 HydrophobicContact CB-CE1 3.88Å; E141-Y151 HydrophobicContact CG-CD1 4.22Å; E141-Y151 HydrophobicContact CG-CE1 3.63Å; E141-Y151 PolarHBondContact OE1-OH 2.9Å; E141-Y151 VanDerWaalsContact OE1-OH 3.1Å; N149-Y151 HydrophobicContact CB-CE2 3.9Å; Y151-F164 WeakPolarHBondContact O-CA 3.3Å; Y151-V165 WeakPolarHBondContact O-CG2 3.07Å; Y151-V165 PolarHBondContact O-N 3.02Å; Y151-F188 HydrophobicContact CD2-CB 4.5Å; Y151-F188 HydrophobicContact CD2-CD2 4.24Å; Y151-F188 HydrophobicContact CE2-CB 3.98Å; Y151-F188 HydrophobicContact CE2-CG 4.49Å
152A98.8Very high96.9Very high2 Ų271.9 Ų71.92%0.01737%0.366CS..EExtended strand (participates in β ladder)trans-93.6145177.500000110.7F139 I140 A154 E162 M163 F164F139-A152 CarbonylContact C-O 3.52Å; F139-A152 WeakPolarHBondContact CA-O 3.11Å; I140-A152 HydrophobicContact CB-CB 4.48Å; I140-A152 PolarHBondContact N-O 2.73Å; I140-A152 PolarHBondContact O-N 3.45Å; A152-A154 PolarHBondContact O-N 2.83Å; A152-E162 HydrophobicContact CB-CB 4.2Å; A152-M163 CarbonylContact C-O 3.6Å; A152-M163 WeakPolarHBondContact CA-O 3.27Å; A152-F164 HydrophobicContact CB-CD1 3.95Å; A152-F164 HydrophobicContact CB-CE1 3.8Å; A152-F164 HydrophobicContact CB-CZ 4.35Å
153S98.8Very high97Very high4 Ų468.5 Ų68.53%0.02835%0.349CS..EExtended strand (participates in β ladder)trans-61.1124.5171-178.20000109.7K155 W156 M163S153-K155 VanDerWaalsContact C-N 3.25Å; S153-K155 PolarHBondContact O-N 3.48Å; S153-W156 PolarHBondContact OG-N 2.83Å; S153-W156 VanDerWaalsContact OG-N 3.08Å; S153-M163 PolarHBondContact N-O 2.74Å
154A98.3Very high97Very high46 Ų4662.6 Ų62.638%0.3832%0.318SS..EExtended strand (participates in β ladder)trans-68.7-27.9177.100000112.2V107 N138 I140 A152V107-A154 HydrophobicContact CG1-CB 4.47Å; N138-A154 HydrophobicContact CB-CB 3.84Å; N138-A154 VanDerWaalsContact O-CB 3.31Å; N138-A154 WeakPolarHBondContact O-CB 3.5Å; N138-A154 PolarHBondContact O-N 3.49Å; I140-A154 HydrophobicContact CD1-CB 4.43Å; I140-A154 HydrophobicContact CG1-CB 3.95Å; A152-A154 PolarHBondContact O-N 2.83Å
155K97.9Very high97.2Very high87 Ų8761.3 Ų61.338%0.37831%0.312SS..EExtended strand (participates in β ladder)trans-94.7-42.6-177.2-178.4171.6-175.2170.40113.6E135 S153E135-K155 HydrophobicContact CB-CD 3.67Å; E135-K155 WeakPolarHBondContact OE2-CD 3.23Å; E135-K155 WeakPolarHBondContact OE2-CE 3.44Å; E135-K155 IonicContact OE2-NZ 3.47Å; E135-K155 PolarHBondContact OE2-NZ 2.83Å; S153-K155 VanDerWaalsContact C-N 3.25Å; S153-K155 PolarHBondContact O-N 3.48Å
156W98.5Very high97.6Very high52 Ų5251.9 Ų51.920%0.19727%0.268CS..EExtended strand (participates in β ladder)trans-107.4123.2-164.1-56.1114.9000112.8M121 K123 D136 S153 M163M121-W156 PolarHBondContact O-NE1 3.22Å; K123-W156 HydrophobicContact CB-CD2 3.9Å; K123-W156 HydrophobicContact CB-CE3 3.74Å; K123-W156 HydrophobicContact CB-CH2 3.88Å; K123-W156 HydrophobicContact CB-CZ2 4.02Å; K123-W156 HydrophobicContact CB-CZ3 3.75Å; K123-W156 HydrophobicContact CD-CE3 4.32Å; K123-W156 HydrophobicContact CD-CH2 4.17Å; K123-W156 HydrophobicContact CD-CZ3 3.75Å; K123-W156 HydrophobicContact CG-CD2 4.37Å; K123-W156 HydrophobicContact CG-CE3 3.73Å; K123-W156 HydrophobicContact CG-CH2 4.24Å; K123-W156 HydrophobicContact CG-CZ3 3.68Å; D136-W156 PolarHBondContact OD1-NE1 3.37Å; S153-W156 PolarHBondContact OG-N 2.83Å; S153-W156 VanDerWaalsContact OG-N 3.08Å; W156-M163 HydrophobicContact CB-CE 3.26Å; W156-M163 HydrophobicContact CG-CE 4.42Å; W156-M163 WeakPolarHBondContact O-CE 3.44Å
157T98.3Very high98.1Very high85 Ų8549.3 Ų49.352%0.52125%0.254SS..EExtended strand (participates in β ladder)trans-116.5164.3170.963.90000111K161T157-K161 CarbonylContact C-O 3.49Å; T157-K161 VanDerWaalsContact CA-O 3.28Å; T157-K161 WeakPolarHBondContact CA-O 3.36Å; T157-K161 VanDerWaalsContact CB-O 3.29Å; T157-K161 WeakPolarHBondContact CB-O 3.37Å
158H97.7Very high98.3Very high59 Ų5943.9 Ų43.927%0.27323%0.23SC..EExtended strand (participates in β ladder)trans-127.5112.8172.2-175.754.3000110.5G160 K161 M163 K177H158-G160 VanDerWaalsContact C-N 3.27Å; H158-G160 PolarHBondContact O-N 3.12Å; H158-K161 PolarHBondContact N-O 3.18Å; H158-K161 WeakPolarHBondContact O-CB 3.49Å; H158-K161 PolarHBondContact O-N 3.01Å; H158-M163 HydrophobicContact CB-CG 4.21Å; H158-M163 HydrophobicContact CB-SD 4.04Å; H158-K177 HydrophobicContact CB-CB 4.35Å; H158-K177 HydrophobicContact CB-CG 3.98Å
159K96.8Very high98.3Very high182 Ų18248 Ų4879%0.79125%0.251SS*.THydrogen-bonded Turntrans53.845.4-177.4-56.1-179.7177.3-171.80111.8K161K159-K161 PolarHBondContact O-N 3.37Å
160G96.3Very high98.3Very high73 Ų7354.3 Ų54.375%0.75328%0.278SS*.THydrogen-bonded Turntrans75-3-177.200000115.3H158H158-G160 VanDerWaalsContact C-N 3.27Å; H158-G160 PolarHBondContact O-N 3.12Å
161K97.9Very high98.3Very high150 Ų15054.4 Ų54.465%0.65228%0.279SS*.EExtended strand (participates in β ladder)trans-97.3140.5179.5-58.1-175.1180-174.60111.6T157 H158 K159T157-K161 CarbonylContact C-O 3.49Å; T157-K161 VanDerWaalsContact CA-O 3.28Å; T157-K161 WeakPolarHBondContact CA-O 3.36Å; T157-K161 VanDerWaalsContact CB-O 3.29Å; T157-K161 WeakPolarHBondContact CB-O 3.37Å; H158-K161 PolarHBondContact N-O 3.18Å; H158-K161 WeakPolarHBondContact O-CB 3.49Å; H158-K161 PolarHBondContact O-N 3.01Å; K159-K161 PolarHBondContact O-N 3.37Å
162E98.4Very high98.3Very high80 Ų8057.2 Ų57.237%0.37430%0.296SS..EExtended strand (participates in β ladder)trans-60.4151.8173.7-64.2175.9117.800111.8A152 F164A152-E162 HydrophobicContact CB-CB 4.2Å; E162-F164 HydrophobicContact CB-CD2 4.47Å; E162-F164 HydrophobicContact CB-CE2 3.64Å; E162-F164 HydrophobicContact CB-CZ 3.68Å; E162-F164 WeakPolarHBondContact OE2-CZ 3.42Å
163M98.8Very high98.2Very high0 Ų058.6 Ų58.60%031%0.305CS..EExtended strand (participates in β ladder)trans-117.2125.6175.3-68-163-67.400109.6M121 A152 S153 W156 H158 G176 K177M121-M163 HydrophobicContact CE-CB 4.4Å; M121-M163 HydrophobicContact SD-CB 3.62Å; M121-M163 HydrophobicContact SD-CE 4.16Å; A152-M163 CarbonylContact C-O 3.6Å; A152-M163 WeakPolarHBondContact CA-O 3.27Å; S153-M163 PolarHBondContact N-O 2.74Å; W156-M163 HydrophobicContact CB-CE 3.26Å; W156-M163 HydrophobicContact CG-CE 4.42Å; W156-M163 WeakPolarHBondContact O-CE 3.44Å; H158-M163 HydrophobicContact CB-CG 4.21Å; H158-M163 HydrophobicContact CB-SD 4.04Å; M163-G176 VanDerWaalsContact CG-C 3.5Å; M163-K177 HydrophobicContact SD-CG 3.95Å; M163-K177 PolarHBondContact SD-N 3.19Å
164F98.9Very high98.2Very high6 Ų660.8 Ų60.83%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-104.6146.2-169.6-62.6-91.8000112.1M121 Y151 A152 E162 T166 T179 K181M121-F164 WeakPolarHBondContact CE-O 3.31Å; Y151-F164 WeakPolarHBondContact O-CA 3.3Å; A152-F164 HydrophobicContact CB-CD1 3.95Å; A152-F164 HydrophobicContact CB-CE1 3.8Å; A152-F164 HydrophobicContact CB-CZ 4.35Å; E162-F164 HydrophobicContact CB-CD2 4.47Å; E162-F164 HydrophobicContact CB-CE2 3.64Å; E162-F164 HydrophobicContact CB-CZ 3.68Å; E162-F164 WeakPolarHBondContact OE2-CZ 3.42Å; F164-T166 HydrophobicContact CB-CG2 4.29Å; F164-T166 PolarHBondContact O-N 3.35Å; F164-T179 PolarHBondContact N-OG1 2.62Å; F164-K181 HydrophobicContact CE1-CB 4.06Å; F164-K181 HydrophobicContact CE1-CG 4.17Å; F164-K181 HydrophobicContact CE2-CB 4.08Å; F164-K181 HydrophobicContact CZ-CB 3.6Å; F164-K181 HydrophobicContact CZ-CG 4.13Å
165V98.9Very high98.2Very high0 Ų065.1 Ų65.10%033%0.325CS..  trans-60.7132.5161177.30000107.9M77 L119 L127 F139 Y151 F188M77-V165 HydrophobicContact CE-CG1 3.29Å; M77-V165 HydrophobicContact SD-CG1 4.05Å; L119-V165 HydrophobicContact CD2-CG1 4.02Å; L119-V165 HydrophobicContact CD2-CG2 3.94Å; L127-V165 HydrophobicContact CD1-CB 4.45Å; L127-V165 HydrophobicContact CD1-CG1 4.02Å; L127-V165 HydrophobicContact CD2-CG2 4.17Å; F139-V165 HydrophobicContact CD1-CG2 3.63Å; F139-V165 HydrophobicContact CE1-CG2 3.48Å; F139-V165 VanDerWaalsContact CE1-CG2 3.48Å; F139-V165 HydrophobicContact CG-CG2 4.32Å; F139-V165 HydrophobicContact CZ-CG2 4.07Å; Y151-V165 WeakPolarHBondContact O-CG2 3.07Å; Y151-V165 PolarHBondContact O-N 3.02Å; V165-F188 HydrophobicContact CG1-CE2 4.06Å; V165-F188 HydrophobicContact CG1-CZ 4.04Å; V165-F188 WeakPolarHBondContact O-CE2 3.45Å
166T98.8Very high98.2Very high0 Ų061 Ų610%031%0.308CS..  trans-146.5155-177.754.30000113.4F164 P173 M174 T179 A185 S186F164-T166 HydrophobicContact CB-CG2 4.29Å; F164-T166 PolarHBondContact O-N 3.35Å; T166-P173 WeakPolarHBondContact O-CA 3.29Å; T166-M174 WeakPolarHBondContact OG1-CB 3.43Å; T166-M174 PolarHBondContact OG1-N 2.97Å; T166-T179 HydrophobicContact CG2-CG2 3.42Å; T166-T179 VanDerWaalsContact CG2-CG2 3.42Å; T166-A185 CarbonylContact C-O 3.58Å; T166-A185 WeakPolarHBondContact CA-O 3.47Å; T166-A185 WeakPolarHBondContact CB-O 3.15Å; T166-A185 HydrophobicContact CG2-CB 4.36Å; T166-S186 VanDerWaalsContact CG2-OG 3.3Å; T166-S186 WeakPolarHBondContact CG2-OG 3.47Å
167L98.8Very high98.1Very high0 Ų063.3 Ų63.30%032%0.319CS..  trans-131.5121.1160.6-66.4176.2000109.5C71 T73 W75 M77 P173 A185 F188C71-L167 HydrophobicContact CB-CB 4.19Å; C71-L167 HydrophobicContact CB-CD1 4.15Å; T73-L167 WeakPolarHBondContact CG2-O 3.43Å; T73-L167 PolarHBondContact OG1-O 3.06Å; W75-L167 HydrophobicContact CB-CD1 3.94Å; M77-L167 HydrophobicContact CB-CD1 4.14Å; M77-L167 HydrophobicContact CE-CD1 4.3Å; M77-L167 HydrophobicContact CE-CD2 4.37Å; M77-L167 HydrophobicContact CE-CG 4.07Å; L167-P173 HydrophobicContact CD2-CG 4.02Å; L167-A185 PolarHBondContact N-O 2.84Å; L167-A185 WeakPolarHBondContact O-CA 3.32Å; L167-A185 VanDerWaalsContact O-CB 3.27Å; L167-A185 WeakPolarHBondContact O-CB 3.34Å; L167-F188 HydrophobicContact CD1-CE1 4.09Å; L167-F188 HydrophobicContact CG-CE1 4.25Å; L167-F188 HydrophobicContact CG-CZ 4.22Å
168N98.5Very high98.1Very high35 Ų3566.4 Ų66.419%0.18733%0.325CS..  trans-72.2179176.572.115.9000112K170 G171 V172 M174N168-K170 PolarHBondContact O-N 3.49Å; N168-K170 WeakPolarHBondContact OD1-CA 3.38Å; N168-K170 WeakPolarHBondContact OD1-CB 3.37Å; N168-K170 PolarHBondContact OD1-N 3Å; N168-G171 PolarHBondContact O-N 2.83Å; N168-G171 PolarHBondContact OD1-N 2.76Å; N168-V172 PolarHBondContact N-O 3.28Å; N168-V172 PolarHBondContact ND2-O 3.5Å; N168-V172 PolarHBondContact OD1-N 2.97Å; N168-V172 PolarHBondContact OD1-O 3.49Å; N168-M174 HydrophobicContact CB-CG 4Å; N168-M174 HydrophobicContact CB-SD 4.12Å
169H98.1Very high98.1Very high134 Ų13464.1 Ų64.162%0.6232%0.315SS*.THydrogen-bonded Turntrans-58-21.3179.662.7-90.3000114.4W75W75-H169 PolarHBondContact NE1-O 2.9Å
170K98.3Very high98.2Very high145 Ų14560.9 Ų60.963%0.6330%0.301SS*.THydrogen-bonded Turntrans-92.26.7175.9-50.6-170.7-179.8-176.50113.1N168 V172N168-K170 PolarHBondContact O-N 3.49Å; N168-K170 WeakPolarHBondContact OD1-CA 3.38Å; N168-K170 WeakPolarHBondContact OD1-CB 3.37Å; N168-K170 PolarHBondContact OD1-N 3Å; K170-V172 VanDerWaalsContact C-N 3.27Å; K170-V172 HydrophobicContact CB-CG2 4.3Å; K170-V172 PolarHBondContact O-N 2.84Å
171G98.3Very high98.2Very high2 Ų260.8 Ų60.82%0.02128%0.28CS..SBendtrans69.623.3-176.200000113.2G87 N168G87-G171 PolarHBondContact N-O 2.98Å; N168-G171 PolarHBondContact O-N 2.83Å; N168-G171 PolarHBondContact OD1-N 2.76Å
172V98.6Very high98.2Very high59 Ų5960.1 Ų60.136%0.35828%0.279SS..  trans-106.9133.6-179.3-178.70000109.8N168 K170N168-V172 PolarHBondContact N-O 3.28Å; N168-V172 PolarHBondContact ND2-O 3.5Å; N168-V172 PolarHBondContact OD1-N 2.97Å; N168-V172 PolarHBondContact OD1-O 3.49Å; K170-V172 VanDerWaalsContact C-N 3.27Å; K170-V172 HydrophobicContact CB-CG2 4.3Å; K170-V172 PolarHBondContact O-N 2.84Å
173P98.4Very high98.2Very high32 Ų3259.2 Ų59.221%0.20828%0.275CS..PPolyproline II helixtrans-60.9137.1174.4-22.532.7000112.5V85 L127 T166 L167V85-P173 HydrophobicContact CB-CG 4.24Å; V85-P173 HydrophobicContact CG1-CG 4.09Å; V85-P173 WeakPolarHBondContact O-CD 3.29Å; V85-P173 WeakPolarHBondContact O-CG 3.12Å; L127-P173 HydrophobicContact CB-CB 4.23Å; L127-P173 HydrophobicContact CD1-CB 3.94Å; T166-P173 WeakPolarHBondContact O-CA 3.29Å; L167-P173 HydrophobicContact CD2-CG 4.02Å
174M98.3Very high98.1Very high50 Ų5065.5 Ų65.525%0.24630%0.302CS..PPolyproline II helixtrans-86.9157.1172.6-55.4171.856.800110T166 N168 G176 T179 A185T166-M174 WeakPolarHBondContact OG1-CB 3.43Å; T166-M174 PolarHBondContact OG1-N 2.97Å; N168-M174 HydrophobicContact CB-CG 4Å; N168-M174 HydrophobicContact CB-SD 4.12Å; M174-G176 PolarHBondContact O-N 2.85Å; M174-T179 HydrophobicContact CB-CG2 4.11Å; M174-A185 HydrophobicContact SD-CB 4Å
175K98Very high98.1Very high136 Ų13665.8 Ų65.859%0.59131%0.306SS*.PPolyproline II helixtrans-68.8128.6167.8-68.4-173.4179.8-1780108.7G125 K177 K178G125-K175 CarbonylContact O-C 3.55Å; G125-K175 WeakPolarHBondContact O-CA 3.21Å; K175-K177 PolarHBondContact O-N 3.24Å; K175-K178 WeakPolarHBondContact O-CA 3.48Å; K175-K178 WeakPolarHBondContact O-CB 3.23Å; K175-K178 PolarHBondContact O-N 2.94Å
176G97.4Very high98.1Very high1 Ų165.8 Ų65.81%0.0131%0.306CS..G310 helixtrans-47.8-36.4179.200000114.1G125 M163 M174 K178 T179G125-G176 PolarHBondContact O-N 3.27Å; M163-G176 VanDerWaalsContact CG-C 3.5Å; M174-G176 PolarHBondContact O-N 2.85Å; G176-K178 PolarHBondContact O-N 2.99Å; G176-T179 PolarHBondContact O-N 2.82Å; G176-T179 PolarHBondContact O-OG1 2.98Å
177K97.1Very high98.1Very high101 Ų10166.2 Ų66.244%0.43931%0.308SS..G310 helixtrans-58.2-17.3175-57.7-174.2178.3-179.10114.7S124 H158 M163 K175S124-K177 WeakPolarHBondContact O-CE 3.49Å; H158-K177 HydrophobicContact CB-CB 4.35Å; H158-K177 HydrophobicContact CB-CG 3.98Å; M163-K177 HydrophobicContact SD-CG 3.95Å; M163-K177 PolarHBondContact SD-N 3.19Å; K175-K177 PolarHBondContact O-N 3.24Å
178K97.8Very high98.1Very high150 Ų15066.2 Ų66.265%0.65231%0.308SS*.G310 helixtrans-109.12.1179.7-58.2-172.4176.2-169.60113K175 G176 H183K175-K178 WeakPolarHBondContact O-CA 3.48Å; K175-K178 WeakPolarHBondContact O-CB 3.23Å; K175-K178 PolarHBondContact O-N 2.94Å; G176-K178 PolarHBondContact O-N 2.99Å; K178-H183 PolarHBondContact O-CE1 3.31Å
179T98.4Very high98.1Very high10 Ų1067.3 Ų67.36%0.06131%0.313CS..  trans-92.6155.1-17764.90000110.7F164 T166 M174 G176F164-T179 PolarHBondContact N-OG1 2.62Å; T166-T179 HydrophobicContact CG2-CG2 3.42Å; T166-T179 VanDerWaalsContact CG2-CG2 3.42Å; M174-T179 HydrophobicContact CB-CG2 4.11Å; G176-T179 PolarHBondContact O-N 2.82Å; G176-T179 PolarHBondContact O-OG1 2.98Å
180K98Very high98.1Very high114 Ų11462.2 Ų62.250%0.49629%0.292SS..  trans-142.4159.1171.8-55.9-176.1-176.6176.80109E182 H183 S186K180-E182 VanDerWaalsContact C-N 3.27Å; K180-E182 VanDerWaalsContact CB-OE2 3.29Å; K180-E182 WeakPolarHBondContact CB-OE2 3.17Å; K180-E182 PolarHBondContact O-N 3Å; K180-H183 PolarHBondContact N-ND1 3.47Å; K180-H183 PolarHBondContact O-N 3.2Å; K180-S186 PolarHBondContact O-OG 2.77Å
181K97.7Very high98Very high71 Ų7158 Ų5831%0.30928%0.276SS..THydrogen-bonded Turntrans-60.6-37.6179.9-170.4178176.1-173.70112.1E144 T150 F164 H183 H187E144-K181 WeakPolarHBondContact OE1-CE 3.36Å; E144-K181 IonicContact OE1-NZ 2.66Å; E144-K181 WeakPolarHBondContact OE2-CE 3.37Å; E144-K181 IonicContact OE2-NZ 3.72Å; E144-K181 PolarHBondContact OE2-NZ 3.43Å; T150-K181 HydrophobicContact CG2-CG 4.36Å; F164-K181 HydrophobicContact CE1-CB 4.06Å; F164-K181 HydrophobicContact CE1-CG 4.17Å; F164-K181 HydrophobicContact CE2-CB 4.08Å; F164-K181 HydrophobicContact CZ-CB 3.6Å; F164-K181 HydrophobicContact CZ-CG 4.13Å; K181-H183 VanDerWaalsContact C-N 3.3Å; K181-H183 PolarHBondContact O-N 3.11Å; K181-H187 PolarHBondContact O-NE2 3.21Å
182E97Very high97.8Very high136 Ų13661.5 Ų61.564%0.63631%0.305SS*.THydrogen-bonded Turntrans-78.7-14.4-174.1-49.872.5-151.300112.8K180 K184K180-E182 VanDerWaalsContact C-N 3.27Å; K180-E182 VanDerWaalsContact CB-OE2 3.29Å; K180-E182 WeakPolarHBondContact CB-OE2 3.17Å; K180-E182 PolarHBondContact O-N 3Å; E182-K184 PolarHBondContact O-N 3.27Å
183H97.8Very high97.5Very high61 Ų6161.8 Ų61.828%0.28230%0.304SS..  trans-66.3128.5179.7-68.2177.9000110.1K178 K180 K181 A185 S186K178-H183 PolarHBondContact O-CE1 3.31Å; K180-H183 PolarHBondContact N-ND1 3.47Å; K180-H183 PolarHBondContact O-N 3.2Å; K181-H183 VanDerWaalsContact C-N 3.3Å; K181-H183 PolarHBondContact O-N 3.11Å; H183-A185 PolarHBondContact O-N 3.36Å; H183-S186 WeakPolarHBondContact O-CB 3.47Å; H183-S186 PolarHBondContact O-N 3.23Å
184K97.9Very high96.1Very high133 Ų13368.5 Ų68.558%0.57835%0.352SS*.G310 helixtrans-51.9-31.3171.8-65.8-176.3178.71790112.7R72 E182 S186 H187R72-K184 WeakPolarHBondContact CB-O 3.26Å; R72-K184 HydrophobicContact CG-CB 4.46Å; E182-K184 PolarHBondContact O-N 3.27Å; K184-S186 PolarHBondContact O-N 2.79Å; K184-H187 PolarHBondContact O-N 2.87Å
185A98.5Very high96Very high11 Ų1169.5 Ų69.59%0.09136%0.357CS..G310 helixtrans-62.8-20176.700000114C71 T73 T166 L167 M174 H183C71-A185 PolarHBondContact SG-O 3.2Å; C71-A185 VanDerWaalsContact SG-O 3.41Å; T73-A185 HydrophobicContact CG2-CB 4.19Å; T166-A185 CarbonylContact C-O 3.58Å; T166-A185 WeakPolarHBondContact CA-O 3.47Å; T166-A185 WeakPolarHBondContact CB-O 3.15Å; T166-A185 HydrophobicContact CG2-CB 4.36Å; L167-A185 PolarHBondContact N-O 2.84Å; L167-A185 WeakPolarHBondContact O-CA 3.32Å; L167-A185 VanDerWaalsContact O-CB 3.27Å; L167-A185 WeakPolarHBondContact O-CB 3.34Å; M174-A185 HydrophobicContact SD-CB 4Å; H183-A185 PolarHBondContact O-N 3.36Å
186S98.6Very high95.9Very high0 Ų065.9 Ų65.90%035%0.345CS..G310 helixtrans-92-6.8179.4-49.40000113.3T166 K180 H183 K184 F188T166-S186 VanDerWaalsContact CG2-OG 3.3Å; T166-S186 WeakPolarHBondContact CG2-OG 3.47Å; K180-S186 PolarHBondContact O-OG 2.77Å; H183-S186 WeakPolarHBondContact O-CB 3.47Å; H183-S186 PolarHBondContact O-N 3.23Å; K184-S186 PolarHBondContact O-N 2.79Å; S186-F188 WeakPolarHBondContact O-CD2 3.35Å
187H98.8Very high95.8Very high9 Ų969.6 Ų69.64%0.04236%0.363CS..  trans-96.8124.6-173.1-63.2172.8000110.2C71 R72 N146 Y148 K181 K184C71-H187 CarbonylContact C-O 3.53Å; C71-H187 WeakPolarHBondContact CA-O 3.48Å; R72-H187 HydrophobicContact CB-CB 3.89Å; R72-H187 PolarHBondContact N-O 3.05Å; R72-H187 PolarHBondContact NH1-ND1 3.29Å; R72-H187 VanDerWaalsContact NH1-ND1 3.15Å; N146-H187 PolarHBondContact ND2-CE1 2.97Å; N146-H187 PolarHBondContact ND2-ND1 3.4Å; Y148-H187 HydrophobicContact CD1-CB 3.84Å; Y148-H187 HydrophobicContact CG-CB 3.89Å; K181-H187 PolarHBondContact O-NE2 3.21Å; K184-H187 PolarHBondContact O-N 2.87Å
188F98.8Very high95.7Very high0 Ų067.7 Ų67.70%036%0.359CS..EExtended strand (participates in β ladder)trans-129.1134.9-179.8-66.8-96.3000111.1L69 F70 C71 M77 N149 Y151 V165 L167 S186L69-F188 HydrophobicContact CB-CB 4.44Å; L69-F188 HydrophobicContact CB-CD1 3.96Å; L69-F188 HydrophobicContact CD2-CB 4.39Å; F70-F188 CarbonylContact O-C 3.46Å; F70-F188 WeakPolarHBondContact O-CA 3.29Å; C71-F188 HydrophobicContact CB-CD1 3.74Å; C71-F188 HydrophobicContact CB-CE1 3.48Å; C71-F188 VanDerWaalsContact CB-CE1 3.48Å; C71-F188 HydrophobicContact CB-CZ 4.08Å; M77-F188 HydrophobicContact CB-CE1 4.28Å; M77-F188 HydrophobicContact CE-CE1 3.76Å; M77-F188 HydrophobicContact CE-CZ 3.72Å; N149-F188 PolarHBondContact N-O 2.92Å; N149-F188 PolarHBondContact O-N 3.23Å; Y151-F188 HydrophobicContact CD2-CB 4.5Å; Y151-F188 HydrophobicContact CD2-CD2 4.24Å; Y151-F188 HydrophobicContact CE2-CB 3.98Å; Y151-F188 HydrophobicContact CE2-CG 4.49Å; V165-F188 HydrophobicContact CG1-CE2 4.06Å; V165-F188 HydrophobicContact CG1-CZ 4.04Å; V165-F188 WeakPolarHBondContact O-CE2 3.45Å; L167-F188 HydrophobicContact CD1-CE1 4.09Å; L167-F188 HydrophobicContact CG-CE1 4.25Å; L167-F188 HydrophobicContact CG-CZ 4.22Å; S186-F188 WeakPolarHBondContact O-CD2 3.35Å
189L98.2Very high95.6Very high58 Ų5862.6 Ų62.630%0.30434%0.34SS..EExtended strand (participates in β ladder)trans-98.8117.5173-176.462.2000108.8F70 Y148 L191F70-L189 PolarHBondContact N-O 3.49Å; F70-L189 PolarHBondContact O-N 3.04Å; Y148-L189 HydrophobicContact CD1-CB 4.03Å; Y148-L189 HydrophobicContact CE1-CB 3.92Å; L189-L191 HydrophobicContact CD2-CD2 3.74Å; L189-L191 HydrophobicContact CG-CD2 3.88Å; L189-L191 HydrophobicContact CG-CG 4.4Å; L189-L191 PolarHBondContact O-N 3.04Å
190P97.3Very high95.4Very high28 Ų2866.1 Ų66.118%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-73.4114.1172.7-1328.6000110.3R67 R68 L69R67-P190 HydrophobicContact CB-CB 4.42Å; R67-P190 HydrophobicContact CG-CB 4.26Å; R68-P190 WeakPolarHBondContact O-CA 3.41Å; L69-P190 HydrophobicContact CD2-CB 4.14Å; L69-P190 HydrophobicContact CD2-CG 4.12Å
191L97Very high95.2Very high56 Ų5662.6 Ų62.629%0.29335%0.349SS..EExtended strand (participates in β ladder)trans-102.8138.4178.9-62.5175.7000110.5R67 R68 F70 Y76 L189R67-L191 CarbonylContact C-O 3.57Å; R67-L191 WeakPolarHBondContact CA-O 3.45Å; R67-L191 WeakPolarHBondContact CB-O 3.37Å; R67-L191 VanDerWaalsContact CD-O 3.29Å; R67-L191 WeakPolarHBondContact CD-O 2.96Å; R68-L191 PolarHBondContact N-O 3.43Å; R68-L191 PolarHBondContact O-N 3.17Å; F70-L191 HydrophobicContact CB-CD1 3.68Å; F70-L191 HydrophobicContact CB-CG 4.27Å; F70-L191 HydrophobicContact CG-CD1 4.24Å; Y76-L191 HydrophobicContact CE1-CD1 3.98Å; L189-L191 HydrophobicContact CD2-CD2 3.74Å; L189-L191 HydrophobicContact CG-CD2 3.88Å; L189-L191 HydrophobicContact CG-CG 4.4Å; L189-L191 PolarHBondContact O-N 3.04Å
192A94.5Very high95.1Very high76 Ų7662 Ų6263%0.62835%0.352SS*.EExtended strand (participates in β ladder)trans-62.4151.9172.300000111.2
193I91Very high94.9Very high64 Ų6455.8 Ų55.833%0.32833%0.329SS..PPolyproline II helixtrans-84.8117.5169.1-48.5-55.9000106.9V66 R68 I97V66-I193 HydrophobicContact CG1-CG1 3.84Å; R68-I193 HydrophobicContact CG-CD1 3.64Å; I97-I193 HydrophobicContact CG1-CD1 4.33Å; I97-I193 HydrophobicContact CG2-CD1 4.16Å; I97-I193 HydrophobicContact CG2-CG1 4.32Å
194S70.3Confident94.6Very high174 Ų17455.4 Ų55.4100%1.21733%0.333SS*.  trans-92.50168.262.10000110.9

Retrieved 194 of 194 residues in 43.7 ms (Link to these results)